USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=18 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 7 THR OG1 : rot 180:sc= 0.0496 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 170:sc= 0 (180deg=-0.0827) USER MOD Single : A 1 MET N :NH3+ -151:sc= 2.05 (180deg=1.55) USER MOD Single : A 2 GLN : amide:sc= -0.591 K(o=-0.59,f=-3.9!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -108:sc= 0.969 (180deg=-1.99!) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.202 USER MOD Single : A 14 THR OG1 : rot -53:sc= 0.164 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.154 USER MOD Single : A 25 ASN : amide:sc= -0.544 K(o=-0.54,f=-1.2) USER MOD Single : A 27 LYS NZ :NH3+ -123:sc= 1.06 (180deg=-1.43!) USER MOD Single : A 29 LYS NZ :NH3+ -178:sc= 1.28 (180deg=1.21) USER MOD Single : A 31 GLN : amide:sc= -0.0554 K(o=-0.055,f=-1.6!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 41 GLN : amide:sc= -0.0476 K(o=-0.048,f=-4.8!) 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 -44:sc= 1.21 USER MOD Single : A 57 SER OG : rot 180:sc= -0.05 USER MOD Single : A 59 TYR OH : rot 167:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.0205 X(o=-0.02,f=-0.16) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 63 LYS NZ :NH3+ 177:sc= 1.01 (180deg=0.94) USER MOD Single : A 65 SER OG : rot 170:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.684 K(o=0.68,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.188 -7.605 -5.317 1.00 9.67 N ATOM 2 CA MET A 1 11.331 -7.666 -3.849 1.00 10.38 C ATOM 3 C MET A 1 9.978 -7.924 -3.114 1.00 9.62 C ATOM 4 O MET A 1 8.994 -7.434 -3.675 1.00 9.62 O ATOM 5 CB MET A 1 11.858 -6.292 -3.353 1.00 13.77 C ATOM 6 CG MET A 1 12.260 -6.292 -1.910 1.00 16.29 C ATOM 7 SD MET A 1 12.813 -4.703 -1.366 1.00 17.17 S ATOM 8 CE MET A 1 11.254 -3.744 -1.263 1.00 16.11 C ATOM 0 H1 MET A 1 12.072 -7.920 -5.765 1.00 9.67 H new ATOM 0 H2 MET A 1 10.408 -8.224 -5.616 1.00 9.67 H new ATOM 0 H3 MET A 1 10.983 -6.627 -5.606 1.00 9.67 H new ATOM 0 HA MET A 1 12.008 -8.491 -3.627 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.714 -5.999 -3.961 1.00 13.77 H new ATOM 0 HB3 MET A 1 11.086 -5.538 -3.507 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.414 -6.608 -1.300 1.00 16.29 H new ATOM 0 HG3 MET A 1 13.054 -7.023 -1.757 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.444 -2.792 -0.766 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.873 -3.559 -2.268 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.516 -4.309 -0.694 1.00 16.11 H new ATOM 20 N GLN A 2 9.972 -8.742 -2.001 1.00 9.27 N ATOM 21 CA GLN A 2 8.708 -9.093 -1.367 1.00 9.07 C ATOM 22 C GLN A 2 8.351 -8.109 -0.330 1.00 8.72 C ATOM 23 O GLN A 2 9.182 -7.603 0.415 1.00 8.22 O ATOM 24 CB GLN A 2 8.816 -10.489 -0.811 1.00 14.46 C ATOM 25 CG GLN A 2 7.568 -11.051 -0.062 1.00 17.01 C ATOM 26 CD GLN A 2 7.841 -12.402 0.492 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.093 -12.599 1.652 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.715 -13.475 -0.364 1.00 19.49 N ATOM 0 H GLN A 2 10.804 -9.139 -1.564 1.00 9.27 H new ATOM 0 HA GLN A 2 7.904 -9.072 -2.103 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.050 -11.164 -1.634 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.663 -10.516 -0.126 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.288 -10.373 0.745 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.721 -11.099 -0.746 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.502 -13.319 -1.349 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.835 -14.425 -0.012 1.00 19.49 H new ATOM 37 N ILE A 3 7.036 -7.756 -0.244 1.00 5.87 N ATOM 38 CA ILE A 3 6.502 -6.867 0.775 1.00 5.07 C ATOM 39 C ILE A 3 5.146 -7.458 1.154 1.00 4.01 C ATOM 40 O ILE A 3 4.631 -8.349 0.425 1.00 4.61 O ATOM 41 CB ILE A 3 6.340 -5.378 0.417 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.566 -5.203 -0.897 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.664 -4.666 0.261 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.930 -3.824 -1.018 1.00 10.83 C ATOM 0 H ILE A 3 6.329 -8.095 -0.896 1.00 5.87 H new ATOM 0 HA ILE A 3 7.237 -6.830 1.579 1.00 5.07 H new ATOM 0 HB ILE A 3 5.792 -4.940 1.251 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.241 -5.363 -1.737 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.789 -5.965 -0.962 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.487 -3.620 0.009 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.221 -4.725 1.196 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.240 -5.139 -0.535 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.395 -3.752 -1.965 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.233 -3.671 -0.194 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.707 -3.060 -0.982 1.00 10.83 H new ATOM 56 N PHE A 4 4.585 -7.102 2.284 1.00 4.55 N ATOM 57 CA PHE A 4 3.364 -7.646 2.808 1.00 4.68 C ATOM 58 C PHE A 4 2.317 -6.553 2.985 1.00 5.30 C ATOM 59 O PHE A 4 2.608 -5.427 3.341 1.00 5.58 O ATOM 60 CB PHE A 4 3.481 -8.463 4.152 1.00 4.83 C ATOM 61 CG PHE A 4 4.342 -9.673 4.080 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.043 -10.653 3.087 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.337 -9.892 5.012 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.869 -11.731 2.938 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.100 -11.012 4.894 1.00 10.61 C ATOM 66 CZ PHE A 4 5.932 -11.923 3.810 1.00 8.90 C ATOM 0 H PHE A 4 4.991 -6.389 2.890 1.00 4.55 H new ATOM 0 HA PHE A 4 3.066 -8.371 2.051 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.871 -7.804 4.927 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.481 -8.765 4.464 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.171 -10.544 2.459 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.506 -9.191 5.816 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.694 -12.436 2.139 1.00 9.10 H new ATOM 0 HE2 PHE A 4 6.853 -11.217 5.641 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.618 -12.746 3.670 1.00 8.90 H new ATOM 76 N VAL A 5 1.046 -6.855 2.724 1.00 4.44 N ATOM 77 CA VAL A 5 -0.017 -5.868 2.908 1.00 3.87 C ATOM 78 C VAL A 5 -1.094 -6.581 3.776 1.00 4.93 C ATOM 79 O VAL A 5 -1.453 -7.754 3.523 1.00 6.84 O ATOM 80 CB VAL A 5 -0.575 -5.413 1.634 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.911 -4.609 1.774 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.392 -4.412 0.977 1.00 9.13 C ATOM 0 H VAL A 5 0.729 -7.765 2.388 1.00 4.44 H new ATOM 0 HA VAL A 5 0.363 -4.967 3.389 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.742 -6.326 1.063 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.259 -4.308 0.786 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.665 -5.236 2.249 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.740 -3.722 2.384 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.024 -4.073 0.028 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.534 -3.556 1.637 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.352 -4.896 0.800 1.00 9.13 H new ATOM 92 N LYS A 6 -1.698 -5.918 4.814 1.00 6.04 N ATOM 93 CA LYS A 6 -2.682 -6.490 5.632 1.00 6.12 C ATOM 94 C LYS A 6 -3.935 -5.679 5.606 1.00 6.57 C ATOM 95 O LYS A 6 -3.972 -4.446 5.710 1.00 5.76 O ATOM 96 CB LYS A 6 -2.206 -6.603 7.109 1.00 7.45 C ATOM 97 CG LYS A 6 -1.322 -7.888 7.237 1.00 11.12 C ATOM 98 CD LYS A 6 -0.886 -8.200 8.652 1.00 14.54 C ATOM 99 CE LYS A 6 -1.823 -9.037 9.437 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.379 -9.346 10.797 1.00 20.55 N ATOM 0 H LYS A 6 -1.471 -4.956 5.064 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.873 -7.488 5.237 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.636 -5.719 7.394 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -3.062 -6.661 7.782 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.878 -8.739 6.844 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.436 -7.770 6.613 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.080 -8.704 8.613 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.734 -7.260 9.183 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -2.785 -8.527 9.491 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.987 -9.973 8.902 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -2.094 -9.934 11.271 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.477 -9.862 10.759 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -1.250 -8.462 11.329 1.00 20.55 H new ATOM 114 N THR A 7 -5.048 -6.410 5.441 1.00 7.41 N ATOM 115 CA THR A 7 -6.397 -5.919 5.416 1.00 7.48 C ATOM 116 C THR A 7 -6.939 -5.491 6.729 1.00 8.75 C ATOM 117 O THR A 7 -6.290 -5.732 7.749 1.00 8.58 O ATOM 118 CB THR A 7 -7.331 -6.893 4.621 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.782 -7.988 5.353 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.635 -7.572 3.406 1.00 9.17 C ATOM 0 H THR A 7 -5.006 -7.421 5.315 1.00 7.41 H new ATOM 0 HA THR A 7 -6.366 -4.978 4.866 1.00 7.48 H new ATOM 0 HB THR A 7 -8.139 -6.218 4.337 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.358 -8.544 4.788 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.342 -8.232 2.904 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.294 -6.807 2.708 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.781 -8.153 3.754 1.00 9.17 H new ATOM 128 N LEU A 8 -8.108 -4.816 6.857 1.00 9.84 N ATOM 129 CA LEU A 8 -8.665 -4.273 8.119 1.00 14.15 C ATOM 130 C LEU A 8 -9.149 -5.375 8.975 1.00 17.37 C ATOM 131 O LEU A 8 -9.258 -5.203 10.207 1.00 17.01 O ATOM 132 CB LEU A 8 -9.889 -3.328 7.772 1.00 16.63 C ATOM 133 CG LEU A 8 -9.493 -1.956 7.292 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.708 -1.074 7.013 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.719 -1.246 8.337 1.00 18.59 C ATOM 0 H LEU A 8 -8.710 -4.629 6.055 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.888 -3.719 8.646 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.498 -3.807 7.005 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.516 -3.224 8.658 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.913 -2.114 6.382 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.375 -0.095 6.669 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -11.325 -1.538 6.244 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.292 -0.959 7.926 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.441 -0.257 7.974 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.328 -1.145 9.235 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.818 -1.813 8.571 1.00 18.59 H new ATOM 147 N THR A 9 -9.317 -6.577 8.377 1.00 18.33 N ATOM 148 CA THR A 9 -9.771 -7.751 9.133 1.00 19.24 C ATOM 149 C THR A 9 -8.590 -8.699 9.478 1.00 19.48 C ATOM 150 O THR A 9 -8.720 -9.794 10.027 1.00 23.14 O ATOM 151 CB THR A 9 -10.841 -8.526 8.418 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.348 -8.908 7.141 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.131 -7.753 8.243 1.00 19.70 C ATOM 0 H THR A 9 -9.146 -6.751 7.387 1.00 18.33 H new ATOM 0 HA THR A 9 -10.200 -7.359 10.055 1.00 19.24 H new ATOM 0 HB THR A 9 -11.078 -9.393 9.034 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.036 -9.416 6.663 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.859 -8.373 7.719 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.526 -7.478 9.221 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.939 -6.851 7.662 1.00 19.70 H new ATOM 161 N GLY A 10 -7.378 -8.169 9.163 1.00 19.43 N ATOM 162 CA GLY A 10 -6.072 -8.772 9.447 1.00 18.74 C ATOM 163 C GLY A 10 -5.577 -9.839 8.453 1.00 17.62 C ATOM 164 O GLY A 10 -4.626 -10.528 8.869 1.00 19.74 O ATOM 0 H GLY A 10 -7.294 -7.272 8.684 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.330 -7.975 9.489 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.113 -9.222 10.439 1.00 18.74 H new ATOM 168 N LYS A 11 -6.200 -10.044 7.185 1.00 13.56 N ATOM 169 CA LYS A 11 -5.626 -11.018 6.372 1.00 11.91 C ATOM 170 C LYS A 11 -4.364 -10.473 5.703 1.00 10.18 C ATOM 171 O LYS A 11 -4.307 -9.262 5.444 1.00 9.10 O ATOM 172 CB LYS A 11 -6.574 -11.300 5.221 1.00 13.43 C ATOM 173 CG LYS A 11 -6.240 -12.611 4.440 1.00 16.69 C ATOM 174 CD LYS A 11 -7.035 -12.941 3.155 1.00 17.92 C ATOM 175 CE LYS A 11 -6.892 -11.880 2.104 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.360 -12.431 0.815 1.00 21.93 N ATOM 0 H LYS A 11 -7.016 -9.554 6.818 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.414 -11.892 6.987 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.591 -11.367 5.607 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.551 -10.459 4.528 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.184 -12.575 4.173 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.367 -13.446 5.129 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -6.691 -13.894 2.754 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.089 -13.061 3.404 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.475 -10.999 2.373 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -5.852 -11.563 2.025 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -6.544 -12.597 0.192 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.857 -13.329 0.981 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.009 -11.755 0.364 1.00 21.93 H new ATOM 190 N THR A 12 -3.367 -11.332 5.295 1.00 9.63 N ATOM 191 CA THR A 12 -2.122 -10.798 4.784 1.00 9.85 C ATOM 192 C THR A 12 -2.055 -11.088 3.269 1.00 11.66 C ATOM 193 O THR A 12 -2.337 -12.222 2.860 1.00 12.33 O ATOM 194 CB THR A 12 -0.918 -11.327 5.554 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.140 -11.179 6.978 1.00 10.91 O ATOM 196 CG2 THR A 12 0.395 -10.723 5.186 1.00 9.63 C ATOM 0 H THR A 12 -3.427 -12.350 5.321 1.00 9.63 H new ATOM 0 HA THR A 12 -2.090 -9.718 4.931 1.00 9.85 H new ATOM 0 HB THR A 12 -0.841 -12.377 5.270 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.364 -11.522 7.468 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.183 -11.169 5.792 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.599 -10.910 4.132 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.364 -9.648 5.365 1.00 9.63 H new ATOM 204 N ILE A 13 -1.642 -10.120 2.409 1.00 10.42 N ATOM 205 CA ILE A 13 -1.352 -10.426 1.042 1.00 11.84 C ATOM 206 C ILE A 13 0.062 -10.061 0.643 1.00 10.55 C ATOM 207 O ILE A 13 0.698 -9.137 1.211 1.00 11.92 O ATOM 208 CB ILE A 13 -2.284 -9.804 0.022 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.194 -8.265 0.057 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.734 -10.173 0.468 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.226 -7.577 -0.921 1.00 16.46 C ATOM 0 H ILE A 13 -1.513 -9.141 2.664 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.497 -11.506 1.018 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.025 -10.161 -0.975 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.374 -7.917 1.074 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.183 -7.957 -0.211 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.450 -9.748 -0.235 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.844 -11.257 0.487 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.922 -9.772 1.464 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.121 -6.494 -0.858 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.031 -7.901 -1.943 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.240 -7.860 -0.638 1.00 16.46 H new ATOM 223 N THR A 14 0.668 -10.886 -0.252 1.00 9.39 N ATOM 224 CA THR A 14 2.104 -10.877 -0.552 1.00 9.63 C ATOM 225 C THR A 14 2.326 -10.287 -1.895 1.00 11.20 C ATOM 226 O THR A 14 1.846 -10.778 -2.973 1.00 11.63 O ATOM 227 CB THR A 14 2.689 -12.305 -0.634 1.00 10.38 C ATOM 228 OG1 THR A 14 2.625 -12.922 0.681 1.00 16.30 O ATOM 229 CG2 THR A 14 4.193 -12.345 -1.001 1.00 11.66 C ATOM 0 H THR A 14 0.153 -11.584 -0.789 1.00 9.39 H new ATOM 0 HA THR A 14 2.582 -10.312 0.248 1.00 9.63 H new ATOM 0 HB THR A 14 2.104 -12.810 -1.402 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.053 -12.335 1.339 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.531 -13.381 -1.039 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.342 -11.878 -1.975 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.766 -11.804 -0.248 1.00 11.66 H new ATOM 237 N LEU A 15 3.058 -9.198 -1.951 1.00 8.29 N ATOM 238 CA LEU A 15 3.274 -8.408 -3.112 1.00 9.03 C ATOM 239 C LEU A 15 4.651 -8.364 -3.575 1.00 8.59 C ATOM 240 O LEU A 15 5.568 -8.723 -2.838 1.00 7.79 O ATOM 241 CB LEU A 15 2.753 -6.999 -2.810 1.00 11.08 C ATOM 242 CG LEU A 15 1.248 -6.826 -2.504 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.921 -5.373 -2.505 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.459 -7.631 -3.572 1.00 15.27 C ATOM 0 H LEU A 15 3.541 -8.830 -1.132 1.00 8.29 H new ATOM 0 HA LEU A 15 2.734 -8.875 -3.936 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.312 -6.613 -1.958 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.994 -6.365 -3.663 1.00 11.08 H new ATOM 0 HG LEU A 15 0.975 -7.209 -1.521 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.139 -5.238 -2.290 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.513 -4.866 -1.743 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.150 -4.949 -3.483 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.610 -7.531 -3.386 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.692 -7.245 -4.564 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.740 -8.683 -3.516 1.00 15.27 H new ATOM 256 N GLU A 16 4.781 -8.036 -4.872 1.00 11.04 N ATOM 257 CA GLU A 16 5.933 -8.196 -5.694 1.00 11.50 C ATOM 258 C GLU A 16 6.203 -6.820 -6.269 1.00 10.13 C ATOM 259 O GLU A 16 5.394 -6.259 -7.011 1.00 9.83 O ATOM 260 CB GLU A 16 5.736 -9.205 -6.868 1.00 17.22 C ATOM 261 CG GLU A 16 7.091 -9.502 -7.657 1.00 23.33 C ATOM 262 CD GLU A 16 8.288 -9.826 -6.807 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.132 -10.781 -6.014 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.367 -9.172 -6.839 1.00 28.90 O ATOM 0 H GLU A 16 4.005 -7.621 -5.388 1.00 11.04 H new ATOM 0 HA GLU A 16 6.750 -8.599 -5.096 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.336 -10.140 -6.475 1.00 17.22 H new ATOM 0 HB3 GLU A 16 4.995 -8.808 -7.562 1.00 17.22 H new ATOM 0 HG2 GLU A 16 6.917 -10.335 -8.338 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.330 -8.633 -8.270 1.00 23.33 H new ATOM 271 N VAL A 17 7.277 -6.256 -5.787 1.00 8.99 N ATOM 272 CA VAL A 17 7.525 -4.858 -6.065 1.00 8.85 C ATOM 273 C VAL A 17 9.033 -4.606 -6.267 1.00 8.04 C ATOM 274 O VAL A 17 9.875 -5.446 -5.919 1.00 8.99 O ATOM 275 CB VAL A 17 7.037 -3.900 -4.967 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.477 -3.901 -4.806 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.793 -4.086 -3.668 1.00 10.54 C ATOM 0 H VAL A 17 7.980 -6.723 -5.215 1.00 8.99 H new ATOM 0 HA VAL A 17 6.955 -4.649 -6.970 1.00 8.85 H new ATOM 0 HB VAL A 17 7.278 -2.890 -5.299 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.192 -3.206 -4.016 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.014 -3.594 -5.744 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.139 -4.904 -4.546 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.413 -3.387 -2.923 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.657 -5.107 -3.311 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.854 -3.898 -3.834 1.00 10.54 H new ATOM 287 N GLU A 18 9.424 -3.493 -6.919 1.00 7.29 N ATOM 288 CA GLU A 18 10.778 -2.909 -7.039 1.00 7.08 C ATOM 289 C GLU A 18 10.808 -1.708 -6.110 1.00 6.45 C ATOM 290 O GLU A 18 9.772 -1.018 -5.990 1.00 5.28 O ATOM 291 CB GLU A 18 11.068 -2.504 -8.476 1.00 10.28 C ATOM 292 CG GLU A 18 11.000 -3.737 -9.462 1.00 12.65 C ATOM 293 CD GLU A 18 12.073 -4.743 -9.083 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.301 -4.543 -9.287 1.00 18.17 O ATOM 295 OE2 GLU A 18 11.658 -5.848 -8.682 1.00 14.33 O ATOM 0 H GLU A 18 8.739 -2.928 -7.421 1.00 7.29 H new ATOM 0 HA GLU A 18 11.547 -3.631 -6.764 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.350 -1.747 -8.792 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.057 -2.049 -8.532 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.016 -4.202 -9.413 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.144 -3.404 -10.490 1.00 12.65 H new ATOM 302 N PRO A 19 11.848 -1.367 -5.382 1.00 7.24 N ATOM 303 CA PRO A 19 11.932 -0.110 -4.602 1.00 7.07 C ATOM 304 C PRO A 19 11.465 1.235 -5.268 1.00 6.65 C ATOM 305 O PRO A 19 10.941 2.106 -4.608 1.00 6.37 O ATOM 306 CB PRO A 19 13.454 -0.160 -4.248 1.00 7.61 C ATOM 307 CG PRO A 19 13.715 -1.634 -3.968 1.00 8.16 C ATOM 308 CD PRO A 19 12.939 -2.294 -5.120 1.00 7.49 C ATOM 0 HA PRO A 19 11.223 -0.082 -3.774 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.068 0.205 -5.071 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.683 0.459 -3.380 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.777 -1.877 -3.994 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.342 -1.940 -2.991 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.568 -2.430 -6.000 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.567 -3.279 -4.839 1.00 7.49 H new ATOM 316 N SER A 20 11.641 1.418 -6.608 1.00 6.80 N ATOM 317 CA SER A 20 11.201 2.606 -7.351 1.00 6.28 C ATOM 318 C SER A 20 9.765 2.533 -7.750 1.00 8.45 C ATOM 319 O SER A 20 9.258 3.512 -8.295 1.00 7.26 O ATOM 320 CB SER A 20 12.106 2.921 -8.510 1.00 8.57 C ATOM 321 OG SER A 20 13.522 2.828 -8.200 1.00 11.13 O ATOM 0 H SER A 20 12.101 0.726 -7.199 1.00 6.80 H new ATOM 0 HA SER A 20 11.280 3.446 -6.661 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.879 2.239 -9.330 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.888 3.929 -8.864 1.00 8.57 H new ATOM 0 HG SER A 20 14.047 3.044 -8.999 1.00 11.13 H new ATOM 327 N ASP A 21 9.017 1.436 -7.503 1.00 7.50 N ATOM 328 CA ASP A 21 7.546 1.507 -7.576 1.00 7.70 C ATOM 329 C ASP A 21 6.941 2.516 -6.620 1.00 7.08 C ATOM 330 O ASP A 21 7.414 2.873 -5.559 1.00 8.11 O ATOM 331 CB ASP A 21 6.953 0.094 -7.283 1.00 11.00 C ATOM 332 CG ASP A 21 7.131 -0.934 -8.450 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.385 -0.495 -9.627 1.00 18.03 O ATOM 334 OD2 ASP A 21 6.966 -2.176 -8.308 1.00 14.36 O ATOM 0 H ASP A 21 9.394 0.520 -7.259 1.00 7.50 H new ATOM 0 HA ASP A 21 7.293 1.841 -8.582 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.426 -0.307 -6.386 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.890 0.197 -7.064 1.00 11.00 H new ATOM 339 N THR A 22 5.865 3.183 -7.064 1.00 5.37 N ATOM 340 CA THR A 22 5.236 4.262 -6.266 1.00 6.01 C ATOM 341 C THR A 22 4.216 3.801 -5.255 1.00 8.01 C ATOM 342 O THR A 22 3.793 2.643 -5.281 1.00 8.11 O ATOM 343 CB THR A 22 4.513 5.361 -7.074 1.00 8.92 C ATOM 344 OG1 THR A 22 3.429 4.810 -7.770 1.00 10.22 O ATOM 345 CG2 THR A 22 5.477 5.938 -8.118 1.00 9.65 C ATOM 0 H THR A 22 5.412 3.002 -7.960 1.00 5.37 H new ATOM 0 HA THR A 22 6.127 4.660 -5.781 1.00 6.01 H new ATOM 0 HB THR A 22 4.171 6.131 -6.383 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.975 5.514 -8.279 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.970 6.715 -8.691 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.344 6.366 -7.615 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.802 5.144 -8.791 1.00 9.65 H new ATOM 353 N ILE A 23 3.697 4.705 -4.427 1.00 8.32 N ATOM 354 CA ILE A 23 2.634 4.475 -3.488 1.00 9.92 C ATOM 355 C ILE A 23 1.382 4.055 -4.223 1.00 10.01 C ATOM 356 O ILE A 23 0.601 3.275 -3.792 1.00 8.71 O ATOM 357 CB ILE A 23 2.429 5.580 -2.458 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.728 5.882 -1.637 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.170 5.243 -1.549 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.308 4.721 -0.848 1.00 12.30 C ATOM 0 H ILE A 23 4.035 5.667 -4.403 1.00 8.32 H new ATOM 0 HA ILE A 23 2.939 3.644 -2.852 1.00 9.92 H new ATOM 0 HB ILE A 23 2.214 6.510 -2.984 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.492 6.244 -2.325 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.513 6.695 -0.943 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.029 6.036 -0.815 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.281 5.164 -2.174 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.336 4.297 -1.034 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.204 5.050 -0.321 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.572 4.368 -0.126 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.565 3.910 -1.530 1.00 12.30 H new ATOM 372 N GLU A 24 1.104 4.690 -5.391 1.00 9.54 N ATOM 373 CA GLU A 24 -0.098 4.469 -6.133 1.00 11.81 C ATOM 374 C GLU A 24 -0.012 3.198 -7.026 1.00 11.14 C ATOM 375 O GLU A 24 -0.958 2.454 -7.267 1.00 10.62 O ATOM 376 CB GLU A 24 -0.474 5.722 -6.886 1.00 19.24 C ATOM 377 CG GLU A 24 -1.852 5.749 -7.568 1.00 27.76 C ATOM 378 CD GLU A 24 -2.117 7.050 -8.309 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.987 8.140 -7.744 1.00 34.80 O ATOM 380 OE2 GLU A 24 -2.515 6.947 -9.511 1.00 36.51 O ATOM 0 H GLU A 24 1.732 5.369 -5.821 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.910 4.258 -5.437 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.425 6.560 -6.191 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.284 5.897 -7.650 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.922 4.917 -8.268 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.627 5.600 -6.817 1.00 27.76 H new ATOM 387 N ASN A 25 1.241 2.696 -7.353 1.00 9.43 N ATOM 388 CA ASN A 25 1.577 1.467 -8.012 1.00 10.96 C ATOM 389 C ASN A 25 1.218 0.327 -7.108 1.00 9.68 C ATOM 390 O ASN A 25 0.741 -0.712 -7.543 1.00 9.33 O ATOM 391 CB ASN A 25 3.122 1.376 -8.381 1.00 16.78 C ATOM 392 CG ASN A 25 3.454 2.213 -9.554 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.657 2.251 -9.855 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.567 2.858 -10.313 1.00 24.70 N ATOM 0 H ASN A 25 2.081 3.225 -7.120 1.00 9.43 H new ATOM 0 HA ASN A 25 1.018 1.423 -8.947 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.720 1.693 -7.526 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.386 0.339 -8.587 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.880 3.377 -11.133 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.576 2.832 -10.073 1.00 24.70 H new ATOM 401 N VAL A 26 1.484 0.479 -5.763 1.00 6.52 N ATOM 402 CA VAL A 26 1.159 -0.524 -4.738 1.00 5.53 C ATOM 403 C VAL A 26 -0.319 -0.704 -4.660 1.00 4.42 C ATOM 404 O VAL A 26 -0.724 -1.831 -4.551 1.00 3.40 O ATOM 405 CB VAL A 26 1.871 -0.230 -3.408 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.439 -1.230 -2.271 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.398 -0.366 -3.696 1.00 8.12 C ATOM 0 H VAL A 26 1.932 1.312 -5.382 1.00 6.52 H new ATOM 0 HA VAL A 26 1.556 -1.498 -5.023 1.00 5.53 H new ATOM 0 HB VAL A 26 1.608 0.766 -3.051 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.967 -0.984 -1.350 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.365 -1.150 -2.105 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.686 -2.249 -2.570 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.960 -0.167 -2.783 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.614 -1.377 -4.042 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.689 0.351 -4.464 1.00 8.12 H new ATOM 417 N LYS A 27 -1.103 0.413 -4.691 1.00 2.64 N ATOM 418 CA LYS A 27 -2.590 0.381 -4.746 1.00 4.14 C ATOM 419 C LYS A 27 -3.150 -0.451 -5.930 1.00 5.58 C ATOM 420 O LYS A 27 -4.041 -1.269 -5.821 1.00 4.11 O ATOM 421 CB LYS A 27 -3.161 1.856 -4.717 1.00 3.97 C ATOM 422 CG LYS A 27 -2.749 2.714 -3.553 1.00 7.45 C ATOM 423 CD LYS A 27 -3.345 4.169 -3.697 1.00 9.02 C ATOM 424 CE LYS A 27 -2.951 5.058 -2.526 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.682 6.350 -2.346 1.00 15.47 N ATOM 0 H LYS A 27 -0.719 1.358 -4.678 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.938 -0.144 -3.857 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.856 2.358 -5.635 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.249 1.800 -4.731 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.095 2.264 -2.622 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.662 2.764 -3.498 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.994 4.616 -4.627 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.432 4.112 -3.761 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.070 4.477 -1.611 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.890 5.286 -2.623 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.002 7.137 -2.348 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.360 6.477 -3.125 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.193 6.336 -1.441 1.00 15.47 H new ATOM 439 N ALA A 28 -2.594 -0.298 -7.174 1.00 6.61 N ATOM 440 CA ALA A 28 -2.896 -1.053 -8.360 1.00 7.74 C ATOM 441 C ALA A 28 -2.562 -2.589 -8.182 1.00 9.17 C ATOM 442 O ALA A 28 -3.247 -3.492 -8.662 1.00 11.45 O ATOM 443 CB ALA A 28 -2.213 -0.385 -9.516 1.00 7.68 C ATOM 0 H ALA A 28 -1.881 0.411 -7.348 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.967 -1.052 -8.563 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.424 -0.937 -10.432 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.580 0.636 -9.615 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.137 -0.368 -9.343 1.00 7.68 H new ATOM 449 N LYS A 29 -1.446 -2.910 -7.526 1.00 8.96 N ATOM 450 CA LYS A 29 -1.098 -4.251 -7.088 1.00 7.90 C ATOM 451 C LYS A 29 -2.013 -4.886 -5.970 1.00 6.92 C ATOM 452 O LYS A 29 -2.308 -6.055 -5.956 1.00 6.87 O ATOM 453 CB LYS A 29 0.397 -4.192 -6.591 1.00 10.28 C ATOM 454 CG LYS A 29 1.415 -4.298 -7.743 1.00 14.94 C ATOM 455 CD LYS A 29 2.811 -3.667 -7.428 1.00 19.69 C ATOM 456 CE LYS A 29 3.801 -3.515 -8.549 1.00 22.63 C ATOM 457 NZ LYS A 29 4.187 -4.849 -9.081 1.00 24.98 N ATOM 0 H LYS A 29 -0.740 -2.216 -7.280 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.250 -4.911 -7.942 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.560 -3.258 -6.054 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.572 -5.002 -5.883 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.553 -5.350 -7.995 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.000 -3.811 -8.625 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.639 -2.679 -7.002 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.280 -4.272 -6.652 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.369 -2.909 -9.346 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.686 -2.988 -8.193 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.897 -4.731 -9.832 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.587 -5.426 -8.314 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.347 -5.324 -9.470 1.00 24.98 H new ATOM 471 N ILE A 30 -2.528 -4.018 -5.099 1.00 4.57 N ATOM 472 CA ILE A 30 -3.581 -4.461 -4.195 1.00 5.58 C ATOM 473 C ILE A 30 -4.906 -4.699 -4.926 1.00 7.26 C ATOM 474 O ILE A 30 -5.647 -5.685 -4.673 1.00 9.46 O ATOM 475 CB ILE A 30 -3.713 -3.494 -3.000 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.328 -3.476 -2.310 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.813 -4.079 -2.125 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.138 -2.309 -1.270 1.00 2.00 C ATOM 0 H ILE A 30 -2.246 -3.043 -5.003 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.296 -5.432 -3.790 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.978 -2.467 -3.253 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.176 -4.428 -1.802 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.555 -3.395 -3.074 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.962 -3.442 -1.253 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.740 -4.136 -2.696 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.526 -5.079 -1.799 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.141 -2.370 -0.833 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.256 -1.350 -1.774 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.886 -2.399 -0.482 1.00 2.00 H new ATOM 490 N GLN A 31 -5.297 -3.831 -5.862 1.00 7.06 N ATOM 491 CA GLN A 31 -6.433 -4.151 -6.739 1.00 8.67 C ATOM 492 C GLN A 31 -6.378 -5.468 -7.509 1.00 10.90 C ATOM 493 O GLN A 31 -7.390 -6.232 -7.592 1.00 9.63 O ATOM 494 CB GLN A 31 -6.492 -3.039 -7.822 1.00 9.12 C ATOM 495 CG GLN A 31 -7.887 -3.124 -8.597 1.00 10.76 C ATOM 496 CD GLN A 31 -7.974 -1.888 -9.484 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.029 -1.174 -9.745 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.186 -1.603 -9.933 1.00 14.76 N ATOM 0 H GLN A 31 -4.860 -2.925 -6.033 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.288 -4.230 -6.068 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.380 -2.059 -7.359 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.666 -3.156 -8.524 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.942 -4.034 -9.195 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.719 -3.154 -7.893 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.971 -2.213 -9.705 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.335 -0.773 -10.507 1.00 14.76 H new ATOM 507 N ASP A 32 -5.215 -5.777 -8.160 1.00 10.93 N ATOM 508 CA ASP A 32 -4.969 -6.988 -8.834 1.00 14.01 C ATOM 509 C ASP A 32 -5.190 -8.237 -7.940 1.00 14.04 C ATOM 510 O ASP A 32 -5.798 -9.236 -8.338 1.00 13.39 O ATOM 511 CB ASP A 32 -3.543 -6.870 -9.415 1.00 18.01 C ATOM 512 CG ASP A 32 -3.465 -7.674 -10.707 1.00 24.33 C ATOM 513 OD1 ASP A 32 -3.117 -8.906 -10.677 1.00 26.29 O ATOM 514 OD2 ASP A 32 -3.726 -7.019 -11.784 1.00 25.17 O ATOM 0 H ASP A 32 -4.426 -5.132 -8.202 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.688 -7.144 -9.639 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.300 -5.825 -9.607 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.812 -7.240 -8.696 1.00 18.01 H new ATOM 519 N LYS A 33 -4.774 -8.170 -6.620 1.00 14.22 N ATOM 520 CA LYS A 33 -4.925 -9.335 -5.738 1.00 14.00 C ATOM 521 C LYS A 33 -6.349 -9.423 -5.244 1.00 12.37 C ATOM 522 O LYS A 33 -6.975 -10.461 -5.385 1.00 12.17 O ATOM 523 CB LYS A 33 -3.887 -9.316 -4.537 1.00 18.62 C ATOM 524 CG LYS A 33 -2.484 -9.695 -4.934 1.00 24.00 C ATOM 525 CD LYS A 33 -2.341 -11.126 -5.336 1.00 27.61 C ATOM 526 CE LYS A 33 -0.858 -11.575 -5.577 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.743 -12.944 -6.071 1.00 30.06 N ATOM 0 H LYS A 33 -4.354 -7.349 -6.185 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.701 -10.231 -6.318 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -3.873 -8.318 -4.098 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.232 -10.000 -3.762 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.166 -9.061 -5.761 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.812 -9.492 -4.100 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.779 -11.756 -4.562 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.914 -11.296 -6.248 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.392 -10.897 -6.292 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.302 -11.485 -4.644 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.260 -13.180 -6.210 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.160 -13.599 -5.379 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.247 -13.030 -6.977 1.00 30.06 H new ATOM 541 N GLU A 34 -6.867 -8.385 -4.569 1.00 10.11 N ATOM 542 CA GLU A 34 -8.056 -8.526 -3.711 1.00 10.07 C ATOM 543 C GLU A 34 -9.261 -7.718 -4.234 1.00 9.32 C ATOM 544 O GLU A 34 -10.380 -7.776 -3.725 1.00 11.61 O ATOM 545 CB GLU A 34 -7.745 -8.032 -2.290 1.00 14.77 C ATOM 546 CG GLU A 34 -6.705 -8.861 -1.520 1.00 18.75 C ATOM 547 CD GLU A 34 -7.102 -10.248 -1.411 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.233 -10.527 -0.962 1.00 25.19 O ATOM 549 OE2 GLU A 34 -6.264 -11.104 -1.757 1.00 21.95 O ATOM 0 H GLU A 34 -6.483 -7.441 -4.600 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.313 -9.585 -3.715 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.393 -7.002 -2.350 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.672 -8.019 -1.717 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.741 -8.797 -2.026 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.571 -8.441 -0.523 1.00 18.75 H new ATOM 556 N GLY A 35 -9.208 -6.997 -5.353 1.00 7.22 N ATOM 557 CA GLY A 35 -10.373 -6.415 -6.062 1.00 6.29 C ATOM 558 C GLY A 35 -10.850 -5.146 -5.501 1.00 6.93 C ATOM 559 O GLY A 35 -11.997 -4.770 -5.699 1.00 7.41 O ATOM 0 H GLY A 35 -8.324 -6.788 -5.817 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.106 -6.259 -7.107 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.190 -7.136 -6.046 1.00 6.29 H new ATOM 563 N ILE A 36 -10.064 -4.350 -4.813 1.00 5.86 N ATOM 564 CA ILE A 36 -10.413 -3.007 -4.357 1.00 6.07 C ATOM 565 C ILE A 36 -9.794 -2.018 -5.203 1.00 6.36 C ATOM 566 O ILE A 36 -8.561 -2.062 -5.276 1.00 6.18 O ATOM 567 CB ILE A 36 -9.941 -2.763 -2.950 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.483 -3.737 -1.929 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.224 -1.355 -2.367 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.460 -4.062 -0.824 1.00 9.49 C ATOM 0 H ILE A 36 -9.121 -4.625 -4.540 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.499 -2.928 -4.397 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.868 -2.891 -3.096 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.383 -3.321 -1.476 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.776 -4.659 -2.431 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.839 -1.299 -1.349 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.734 -0.601 -2.983 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.299 -1.174 -2.359 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.899 -4.766 -0.117 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.570 -4.505 -1.271 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.186 -3.146 -0.301 1.00 9.49 H new ATOM 582 N PRO A 37 -10.512 -1.118 -5.945 1.00 8.65 N ATOM 583 CA PRO A 37 -10.021 0.118 -6.560 1.00 9.18 C ATOM 584 C PRO A 37 -8.988 0.993 -5.741 1.00 9.85 C ATOM 585 O PRO A 37 -9.228 1.221 -4.558 1.00 8.51 O ATOM 586 CB PRO A 37 -11.323 0.847 -6.834 1.00 11.42 C ATOM 587 CG PRO A 37 -12.350 -0.212 -7.228 1.00 9.27 C ATOM 588 CD PRO A 37 -11.936 -1.391 -6.301 1.00 8.33 C ATOM 0 HA PRO A 37 -9.400 -0.100 -7.429 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.652 1.394 -5.951 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.196 1.578 -7.633 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.373 0.117 -7.044 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.285 -0.476 -8.284 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.564 -1.434 -5.411 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.039 -2.349 -6.810 1.00 8.33 H new ATOM 596 N PRO A 38 -7.916 1.506 -6.328 1.00 8.71 N ATOM 597 CA PRO A 38 -7.029 2.572 -5.816 1.00 9.08 C ATOM 598 C PRO A 38 -7.706 3.857 -5.207 1.00 9.28 C ATOM 599 O PRO A 38 -7.058 4.611 -4.474 1.00 6.50 O ATOM 600 CB PRO A 38 -6.071 2.856 -7.032 1.00 10.31 C ATOM 601 CG PRO A 38 -5.971 1.530 -7.871 1.00 10.81 C ATOM 602 CD PRO A 38 -7.330 0.899 -7.531 1.00 12.00 C ATOM 0 HA PRO A 38 -6.512 2.234 -4.918 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.459 3.670 -7.645 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.086 3.163 -6.681 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.854 1.719 -8.938 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.132 0.905 -7.565 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.012 1.024 -8.372 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.207 -0.173 -7.377 1.00 12.00 H new ATOM 610 N ASP A 39 -9.001 4.157 -5.467 1.00 11.20 N ATOM 611 CA ASP A 39 -9.590 5.315 -4.790 1.00 14.96 C ATOM 612 C ASP A 39 -10.023 4.976 -3.383 1.00 13.99 C ATOM 613 O ASP A 39 -10.172 5.812 -2.525 1.00 13.75 O ATOM 614 CB ASP A 39 -10.801 5.806 -5.622 1.00 24.16 C ATOM 615 CG ASP A 39 -10.402 6.404 -6.927 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.543 7.342 -6.837 1.00 34.22 O ATOM 617 OD2 ASP A 39 -10.856 5.989 -8.013 1.00 35.55 O ATOM 0 H ASP A 39 -9.616 3.646 -6.100 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.839 6.101 -4.714 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.475 4.969 -5.802 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.357 6.544 -5.044 1.00 24.16 H new ATOM 622 N GLN A 40 -10.183 3.667 -3.100 1.00 11.60 N ATOM 623 CA GLN A 40 -10.560 3.183 -1.774 1.00 10.76 C ATOM 624 C GLN A 40 -9.441 2.828 -0.863 1.00 8.01 C ATOM 625 O GLN A 40 -9.637 2.233 0.191 1.00 8.96 O ATOM 626 CB GLN A 40 -11.537 1.981 -1.921 1.00 11.14 C ATOM 627 CG GLN A 40 -12.893 2.462 -2.486 1.00 14.85 C ATOM 628 CD GLN A 40 -13.792 1.249 -2.653 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.885 0.471 -1.723 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.473 1.026 -3.827 1.00 18.16 N ATOM 0 H GLN A 40 -10.053 2.925 -3.788 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.039 4.033 -1.288 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.105 1.230 -2.583 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.687 1.504 -0.952 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.351 3.185 -1.812 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.750 2.964 -3.443 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.387 1.686 -4.600 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.064 0.201 -3.925 1.00 18.16 H new ATOM 639 N GLN A 41 -8.224 3.170 -1.208 1.00 6.52 N ATOM 640 CA GLN A 41 -7.042 2.737 -0.442 1.00 3.87 C ATOM 641 C GLN A 41 -6.134 3.855 0.099 1.00 4.79 C ATOM 642 O GLN A 41 -5.514 4.574 -0.641 1.00 6.34 O ATOM 643 CB GLN A 41 -6.139 1.912 -1.405 1.00 4.20 C ATOM 644 CG GLN A 41 -6.867 0.599 -1.789 1.00 3.20 C ATOM 645 CD GLN A 41 -5.842 -0.220 -2.558 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.690 -0.331 -2.213 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.243 -0.692 -3.764 1.00 7.13 N ATOM 0 H GLN A 41 -8.007 3.751 -2.018 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.444 2.201 0.418 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.916 2.493 -2.300 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.186 1.687 -0.925 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.211 0.066 -0.902 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.747 0.802 -2.400 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.217 -0.596 -4.051 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.571 -1.143 -4.384 1.00 7.13 H new ATOM 656 N ARG A 42 -6.235 3.991 1.446 1.00 5.73 N ATOM 657 CA ARG A 42 -5.311 4.711 2.317 1.00 6.97 C ATOM 658 C ARG A 42 -4.274 3.666 2.852 1.00 7.15 C ATOM 659 O ARG A 42 -4.575 2.661 3.536 1.00 7.33 O ATOM 660 CB ARG A 42 -6.202 5.329 3.394 1.00 13.23 C ATOM 661 CG ARG A 42 -6.912 6.517 2.690 1.00 21.27 C ATOM 662 CD ARG A 42 -7.861 7.118 3.599 1.00 26.14 C ATOM 663 NE ARG A 42 -8.339 8.450 2.970 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.344 9.115 3.495 1.00 34.32 C ATOM 665 NH1 ARG A 42 -10.142 8.614 4.487 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.687 10.316 3.008 1.00 36.39 N ATOM 0 H ARG A 42 -7.007 3.575 1.966 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.730 5.504 1.846 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.924 4.605 3.773 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.614 5.669 4.246 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.177 7.257 2.373 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.423 6.169 1.792 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.706 6.450 3.767 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -7.399 7.298 4.570 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.870 8.815 2.141 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.970 7.679 4.856 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.909 9.176 4.857 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.167 10.717 2.227 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.468 10.829 3.418 1.00 36.39 H new ATOM 680 N LEU A 43 -2.952 3.886 2.654 1.00 4.65 N ATOM 681 CA LEU A 43 -1.956 2.870 3.073 1.00 3.51 C ATOM 682 C LEU A 43 -1.066 3.383 4.214 1.00 5.56 C ATOM 683 O LEU A 43 -0.522 4.476 4.041 1.00 4.19 O ATOM 684 CB LEU A 43 -1.066 2.500 1.857 1.00 3.74 C ATOM 685 CG LEU A 43 -1.846 1.835 0.659 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.865 1.631 -0.477 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.629 0.539 0.977 1.00 6.41 C ATOM 0 H LEU A 43 -2.561 4.724 2.224 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.496 1.995 3.435 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.571 3.402 1.497 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.284 1.818 2.189 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.645 2.526 0.389 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.377 1.171 -1.322 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.455 2.594 -0.781 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -0.055 0.981 -0.146 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -3.121 0.180 0.073 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.939 -0.223 1.341 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.379 0.745 1.741 1.00 6.41 H new ATOM 699 N ILE A 44 -0.810 2.578 5.294 1.00 4.58 N ATOM 700 CA ILE A 44 -0.118 3.087 6.444 1.00 5.55 C ATOM 701 C ILE A 44 1.158 2.270 6.649 1.00 5.46 C ATOM 702 O ILE A 44 1.169 1.065 6.653 1.00 6.04 O ATOM 703 CB ILE A 44 -0.943 3.081 7.662 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.414 3.479 7.526 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.249 3.901 8.814 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.620 4.911 7.143 1.00 13.90 C ATOM 0 H ILE A 44 -1.081 1.597 5.358 1.00 4.58 H new ATOM 0 HA ILE A 44 0.126 4.133 6.256 1.00 5.55 H new ATOM 0 HB ILE A 44 -0.997 2.022 7.912 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.885 2.841 6.778 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.921 3.289 8.472 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.878 3.882 9.704 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.719 3.457 9.044 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.107 4.933 8.492 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.688 5.117 7.066 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.179 5.558 7.902 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.143 5.103 6.182 1.00 13.90 H new ATOM 718 N PHE A 45 2.267 2.927 7.013 1.00 6.75 N ATOM 719 CA PHE A 45 3.421 2.237 7.523 1.00 4.70 C ATOM 720 C PHE A 45 4.164 3.135 8.484 1.00 6.34 C ATOM 721 O PHE A 45 4.314 4.319 8.228 1.00 5.45 O ATOM 722 CB PHE A 45 4.298 1.912 6.299 1.00 5.51 C ATOM 723 CG PHE A 45 5.679 1.440 6.695 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.829 0.278 7.394 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.811 2.212 6.315 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.163 -0.123 7.806 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.118 1.837 6.774 1.00 6.64 C ATOM 728 CZ PHE A 45 8.258 0.682 7.524 1.00 6.84 C ATOM 0 H PHE A 45 2.373 3.940 6.957 1.00 6.75 H new ATOM 0 HA PHE A 45 3.149 1.330 8.062 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.811 1.143 5.699 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.385 2.799 5.671 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.972 -0.332 7.637 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.688 3.079 5.682 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.304 -1.054 8.335 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.978 2.446 6.538 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.233 0.403 7.895 1.00 6.84 H new ATOM 738 N ALA A 46 4.460 2.615 9.713 1.00 6.53 N ATOM 739 CA ALA A 46 5.230 3.307 10.779 1.00 7.15 C ATOM 740 C ALA A 46 4.536 4.615 11.239 1.00 9.00 C ATOM 741 O ALA A 46 5.162 5.642 11.582 1.00 11.15 O ATOM 742 CB ALA A 46 6.639 3.527 10.375 1.00 8.99 C ATOM 0 H ALA A 46 4.160 1.680 9.990 1.00 6.53 H new ATOM 0 HA ALA A 46 5.249 2.648 11.647 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.173 4.035 11.178 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.114 2.567 10.174 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.668 4.141 9.475 1.00 8.99 H new ATOM 748 N GLY A 47 3.212 4.592 11.340 1.00 9.35 N ATOM 749 CA GLY A 47 2.341 5.756 11.631 1.00 11.68 C ATOM 750 C GLY A 47 2.069 6.682 10.535 1.00 11.14 C ATOM 751 O GLY A 47 1.305 7.630 10.738 1.00 13.93 O ATOM 0 H GLY A 47 2.680 3.730 11.218 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.386 5.379 11.998 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.795 6.321 12.445 1.00 11.68 H new ATOM 755 N LYS A 48 2.499 6.390 9.316 1.00 10.47 N ATOM 756 CA LYS A 48 2.455 7.378 8.267 1.00 8.82 C ATOM 757 C LYS A 48 1.496 6.947 7.154 1.00 7.68 C ATOM 758 O LYS A 48 1.608 5.848 6.596 1.00 6.47 O ATOM 759 CB LYS A 48 3.834 7.576 7.621 1.00 9.74 C ATOM 760 CG LYS A 48 4.880 7.967 8.727 1.00 14.14 C ATOM 761 CD LYS A 48 6.109 8.632 8.156 1.00 16.32 C ATOM 762 CE LYS A 48 7.384 8.530 9.021 1.00 20.04 C ATOM 763 NZ LYS A 48 8.404 9.561 8.725 1.00 23.92 N ATOM 0 H LYS A 48 2.877 5.484 9.038 1.00 10.47 H new ATOM 0 HA LYS A 48 2.121 8.305 8.732 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.146 6.661 7.117 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.783 8.356 6.862 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.409 8.638 9.446 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.177 7.072 9.274 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.317 8.194 7.180 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.887 9.686 7.991 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.103 8.604 10.072 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.828 7.545 8.879 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 9.227 9.424 9.346 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.703 9.479 7.732 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.000 10.506 8.888 1.00 23.92 H new ATOM 777 N GLN A 49 0.560 7.866 6.834 1.00 8.89 N ATOM 778 CA GLN A 49 -0.280 7.584 5.714 1.00 7.18 C ATOM 779 C GLN A 49 0.501 7.879 4.404 1.00 8.23 C ATOM 780 O GLN A 49 1.020 8.965 4.220 1.00 9.70 O ATOM 781 CB GLN A 49 -1.509 8.514 5.774 1.00 11.67 C ATOM 782 CG GLN A 49 -2.644 8.280 4.754 1.00 15.82 C ATOM 783 CD GLN A 49 -3.867 9.098 4.962 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.943 8.583 5.277 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.710 10.424 4.910 1.00 20.67 N ATOM 0 H GLN A 49 0.393 8.749 7.317 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.590 6.539 5.735 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.937 8.438 6.774 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.158 9.539 5.655 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.258 8.481 3.755 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.923 7.227 4.782 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.808 10.821 4.646 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.492 11.039 5.134 1.00 20.67 H new ATOM 794 N LEU A 50 0.641 6.918 3.492 1.00 6.51 N ATOM 795 CA LEU A 50 1.627 7.038 2.468 1.00 7.41 C ATOM 796 C LEU A 50 1.065 7.793 1.268 1.00 8.27 C ATOM 797 O LEU A 50 -0.096 7.686 0.922 1.00 8.34 O ATOM 798 CB LEU A 50 2.051 5.644 2.048 1.00 7.13 C ATOM 799 CG LEU A 50 2.608 4.788 3.208 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.795 3.293 2.839 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.065 5.296 3.563 1.00 9.11 C ATOM 0 H LEU A 50 0.082 6.065 3.457 1.00 6.51 H new ATOM 0 HA LEU A 50 2.483 7.596 2.848 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.196 5.131 1.608 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.810 5.724 1.270 1.00 7.13 H new ATOM 0 HG LEU A 50 1.886 4.883 4.019 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.189 2.752 3.700 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.834 2.866 2.551 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.494 3.208 2.007 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.469 4.699 4.381 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.708 5.196 2.689 1.00 9.11 H new ATOM 0 HD23 LEU A 50 4.022 6.343 3.864 1.00 9.11 H new ATOM 813 N GLU A 51 1.949 8.475 0.533 1.00 9.43 N ATOM 814 CA GLU A 51 1.437 9.453 -0.416 1.00 11.90 C ATOM 815 C GLU A 51 1.645 8.985 -1.855 1.00 11.49 C ATOM 816 O GLU A 51 2.754 8.758 -2.371 1.00 9.88 O ATOM 817 CB GLU A 51 2.196 10.854 -0.312 1.00 16.56 C ATOM 818 CG GLU A 51 1.840 11.914 -1.311 1.00 26.06 C ATOM 819 CD GLU A 51 2.376 13.224 -0.824 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.935 13.724 0.266 1.00 33.44 O ATOM 821 OE2 GLU A 51 3.339 13.806 -1.481 1.00 32.13 O ATOM 0 H GLU A 51 2.963 8.375 0.573 1.00 9.43 H new ATOM 0 HA GLU A 51 0.381 9.564 -0.169 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.019 11.259 0.684 1.00 16.56 H new ATOM 0 HB3 GLU A 51 3.266 10.663 -0.392 1.00 16.56 H new ATOM 0 HG2 GLU A 51 2.261 11.672 -2.287 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.759 11.970 -1.435 1.00 26.06 H new ATOM 828 N ASP A 52 0.486 8.865 -2.575 1.00 12.71 N ATOM 829 CA ASP A 52 0.338 8.361 -3.936 1.00 16.56 C ATOM 830 C ASP A 52 1.551 8.547 -4.944 1.00 15.83 C ATOM 831 O ASP A 52 2.028 7.531 -5.494 1.00 17.21 O ATOM 832 CB ASP A 52 -0.834 9.108 -4.552 1.00 21.05 C ATOM 833 CG ASP A 52 -2.181 8.951 -3.778 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.190 8.359 -2.664 1.00 28.37 O ATOM 835 OD2 ASP A 52 -3.160 9.531 -4.268 1.00 25.82 O ATOM 0 H ASP A 52 -0.411 9.141 -2.176 1.00 12.71 H new ATOM 0 HA ASP A 52 0.231 7.283 -3.815 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.584 10.167 -4.609 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.974 8.758 -5.575 1.00 21.05 H new ATOM 840 N GLY A 53 2.136 9.787 -5.093 1.00 15.00 N ATOM 841 CA GLY A 53 3.143 10.079 -6.044 1.00 11.77 C ATOM 842 C GLY A 53 4.572 9.795 -5.658 1.00 11.10 C ATOM 843 O GLY A 53 5.477 10.019 -6.440 1.00 11.25 O ATOM 0 H GLY A 53 1.879 10.590 -4.519 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.922 9.516 -6.951 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.068 11.136 -6.299 1.00 11.77 H new ATOM 847 N ARG A 54 4.898 9.317 -4.414 1.00 8.53 N ATOM 848 CA ARG A 54 6.212 9.087 -3.889 1.00 9.05 C ATOM 849 C ARG A 54 6.624 7.607 -4.089 1.00 8.96 C ATOM 850 O ARG A 54 5.802 6.826 -4.486 1.00 11.60 O ATOM 851 CB ARG A 54 6.374 9.493 -2.427 1.00 7.97 C ATOM 852 CG ARG A 54 5.679 10.817 -2.074 1.00 9.62 C ATOM 853 CD ARG A 54 6.224 11.282 -0.708 1.00 12.20 C ATOM 854 NE ARG A 54 5.572 12.558 -0.337 1.00 18.23 N ATOM 855 CZ ARG A 54 6.017 13.561 0.394 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.094 13.552 1.152 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.319 14.637 0.221 1.00 23.38 N ATOM 0 H ARG A 54 4.174 9.078 -3.736 1.00 8.53 H new ATOM 0 HA ARG A 54 6.880 9.735 -4.456 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.974 8.702 -1.793 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.436 9.578 -2.198 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.875 11.568 -2.840 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.598 10.682 -2.029 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.030 10.525 0.052 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.305 11.413 -0.759 1.00 12.20 H new ATOM 0 HE ARG A 54 4.629 12.681 -0.705 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.670 12.712 1.210 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.353 14.385 1.681 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.529 14.634 -0.424 1.00 23.38 H new ATOM 0 HH22 ARG A 54 5.559 15.488 0.729 1.00 23.38 H new ATOM 871 N THR A 55 7.899 7.186 -3.775 1.00 9.05 N ATOM 872 CA THR A 55 8.338 5.782 -4.010 1.00 9.03 C ATOM 873 C THR A 55 8.385 4.997 -2.727 1.00 8.15 C ATOM 874 O THR A 55 8.180 5.545 -1.665 1.00 5.91 O ATOM 875 CB THR A 55 9.542 5.647 -4.937 1.00 11.15 C ATOM 876 OG1 THR A 55 10.723 6.196 -4.481 1.00 11.95 O ATOM 877 CG2 THR A 55 9.146 6.192 -6.283 1.00 11.71 C ATOM 0 H THR A 55 8.615 7.789 -3.370 1.00 9.05 H new ATOM 0 HA THR A 55 7.565 5.293 -4.602 1.00 9.03 H new ATOM 0 HB THR A 55 9.788 4.586 -4.992 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.546 7.079 -4.095 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.988 6.110 -6.971 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.302 5.622 -6.672 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.861 7.239 -6.182 1.00 11.71 H new ATOM 885 N LEU A 56 8.641 3.673 -2.811 1.00 6.91 N ATOM 886 CA LEU A 56 9.007 2.850 -1.612 1.00 8.29 C ATOM 887 C LEU A 56 10.318 3.229 -0.982 1.00 8.05 C ATOM 888 O LEU A 56 10.455 3.423 0.207 1.00 10.17 O ATOM 889 CB LEU A 56 9.056 1.365 -2.092 1.00 6.60 C ATOM 890 CG LEU A 56 7.738 0.821 -2.697 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.874 -0.698 -2.906 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.532 1.051 -1.803 1.00 8.64 C ATOM 0 H LEU A 56 8.604 3.145 -3.683 1.00 6.91 H new ATOM 0 HA LEU A 56 8.262 3.020 -0.835 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.846 1.267 -2.837 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.335 0.736 -1.247 1.00 6.60 H new ATOM 0 HG LEU A 56 7.577 1.358 -3.632 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.951 -1.091 -3.332 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.702 -0.899 -3.586 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.066 -1.181 -1.948 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.641 0.647 -2.283 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.687 0.551 -0.847 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.401 2.120 -1.636 1.00 8.64 H new ATOM 904 N SER A 57 11.339 3.516 -1.833 1.00 8.92 N ATOM 905 CA SER A 57 12.622 4.012 -1.390 1.00 9.00 C ATOM 906 C SER A 57 12.558 5.322 -0.655 1.00 9.44 C ATOM 907 O SER A 57 13.164 5.385 0.397 1.00 10.91 O ATOM 908 CB SER A 57 13.690 4.142 -2.482 1.00 10.32 C ATOM 909 OG SER A 57 13.973 2.919 -3.092 1.00 13.59 O ATOM 0 H SER A 57 11.271 3.401 -2.844 1.00 8.92 H new ATOM 0 HA SER A 57 12.924 3.220 -0.705 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.351 4.852 -3.236 1.00 10.32 H new ATOM 0 HB3 SER A 57 14.603 4.549 -2.048 1.00 10.32 H new ATOM 0 HG SER A 57 14.657 3.048 -3.782 1.00 13.59 H new ATOM 915 N ASP A 58 11.785 6.348 -1.085 1.00 9.11 N ATOM 916 CA ASP A 58 11.589 7.611 -0.337 1.00 7.91 C ATOM 917 C ASP A 58 11.204 7.361 1.121 1.00 9.12 C ATOM 918 O ASP A 58 11.580 8.201 1.946 1.00 8.61 O ATOM 919 CB ASP A 58 10.435 8.448 -0.958 1.00 8.41 C ATOM 920 CG ASP A 58 10.852 9.095 -2.251 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.811 9.918 -2.287 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.323 8.696 -3.365 1.00 11.70 O ATOM 0 H ASP A 58 11.276 6.321 -1.969 1.00 9.11 H new ATOM 0 HA ASP A 58 12.541 8.139 -0.392 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.573 7.805 -1.134 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.121 9.216 -0.251 1.00 8.41 H new ATOM 927 N TYR A 59 10.445 6.265 1.511 1.00 7.97 N ATOM 928 CA TYR A 59 10.102 5.920 2.890 1.00 8.45 C ATOM 929 C TYR A 59 10.920 4.756 3.426 1.00 10.98 C ATOM 930 O TYR A 59 10.576 4.199 4.471 1.00 12.95 O ATOM 931 CB TYR A 59 8.602 5.450 2.906 1.00 7.94 C ATOM 932 CG TYR A 59 7.702 6.614 2.730 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.251 7.370 3.848 1.00 4.59 C ATOM 934 CD2 TYR A 59 7.000 6.719 1.520 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.231 8.384 3.661 1.00 5.39 C ATOM 936 CE2 TYR A 59 6.067 7.754 1.304 1.00 6.52 C ATOM 937 CZ TYR A 59 5.637 8.564 2.381 1.00 6.76 C ATOM 938 OH TYR A 59 4.587 9.528 2.216 1.00 7.63 O ATOM 0 H TYR A 59 10.063 5.604 0.835 1.00 7.97 H new ATOM 0 HA TYR A 59 10.295 6.799 3.505 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.431 4.725 2.110 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.380 4.948 3.848 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.665 7.190 4.829 1.00 4.59 H new ATOM 0 HD2 TYR A 59 7.177 5.994 0.740 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.923 9.001 4.492 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.679 7.929 0.311 1.00 6.52 H new ATOM 0 HH TYR A 59 4.430 9.681 1.261 1.00 7.63 H new ATOM 948 N ASN A 60 11.977 4.287 2.746 1.00 12.38 N ATOM 949 CA ASN A 60 12.791 3.227 3.339 1.00 13.94 C ATOM 950 C ASN A 60 12.116 1.881 3.562 1.00 14.16 C ATOM 951 O ASN A 60 12.393 1.224 4.574 1.00 14.26 O ATOM 952 CB ASN A 60 13.591 3.557 4.645 1.00 19.23 C ATOM 953 CG ASN A 60 14.940 2.880 4.716 1.00 22.65 C ATOM 954 OD1 ASN A 60 15.678 3.151 3.776 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.210 2.087 5.734 1.00 24.09 N ATOM 0 H ASN A 60 12.276 4.610 1.826 1.00 12.38 H new ATOM 0 HA ASN A 60 13.496 3.153 2.511 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.731 4.636 4.712 1.00 19.23 H new ATOM 0 HB3 ASN A 60 12.998 3.258 5.509 1.00 19.23 H new ATOM 0 HD21 ASN A 60 16.117 1.624 5.793 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.512 1.936 6.462 1.00 24.09 H new ATOM 962 N ILE A 61 11.263 1.430 2.676 1.00 11.08 N ATOM 963 CA ILE A 61 10.610 0.118 2.777 1.00 11.78 C ATOM 964 C ILE A 61 11.684 -0.955 2.591 1.00 13.74 C ATOM 965 O ILE A 61 12.629 -0.686 1.791 1.00 14.60 O ATOM 966 CB ILE A 61 9.488 -0.126 1.841 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.433 1.005 1.862 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.830 -1.470 2.174 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.707 1.204 3.219 1.00 11.42 C ATOM 0 H ILE A 61 10.989 1.959 1.848 1.00 11.08 H new ATOM 0 HA ILE A 61 10.144 0.086 3.762 1.00 11.78 H new ATOM 0 HB ILE A 61 9.902 -0.148 0.833 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.921 1.941 1.588 1.00 11.56 H new ATOM 0 HG13 ILE A 61 7.686 0.798 1.095 1.00 11.56 H new ATOM 0 HG21 ILE A 61 8.004 -1.651 1.486 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.565 -2.269 2.077 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.452 -1.447 3.196 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.988 2.019 3.131 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.184 0.287 3.490 1.00 11.42 H new ATOM 0 HD13 ILE A 61 8.438 1.447 3.990 1.00 11.42 H new ATOM 981 N GLN A 62 11.639 -2.021 3.376 1.00 13.97 N ATOM 982 CA GLN A 62 12.559 -3.132 3.347 1.00 15.52 C ATOM 983 C GLN A 62 11.860 -4.389 3.122 1.00 13.94 C ATOM 984 O GLN A 62 10.624 -4.498 3.070 1.00 12.15 O ATOM 985 CB GLN A 62 13.293 -3.312 4.650 1.00 19.53 C ATOM 986 CG GLN A 62 14.365 -2.218 4.911 1.00 26.38 C ATOM 987 CD GLN A 62 15.114 -2.446 6.246 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.683 -3.094 7.232 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.368 -1.961 6.231 1.00 32.71 N ATOM 0 H GLN A 62 10.917 -2.133 4.087 1.00 13.97 H new ATOM 0 HA GLN A 62 13.254 -2.897 2.541 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.573 -3.307 5.468 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.774 -4.290 4.655 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.082 -2.210 4.090 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.887 -1.239 4.926 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.702 -1.437 5.422 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.985 -2.117 7.028 1.00 32.71 H new ATOM 998 N LYS A 63 12.641 -5.420 2.745 1.00 11.73 N ATOM 999 CA LYS A 63 12.146 -6.708 2.348 1.00 11.97 C ATOM 1000 C LYS A 63 11.362 -7.426 3.500 1.00 10.41 C ATOM 1001 O LYS A 63 11.848 -7.598 4.655 1.00 9.59 O ATOM 1002 CB LYS A 63 13.320 -7.592 1.796 1.00 13.73 C ATOM 1003 CG LYS A 63 12.952 -9.085 1.694 1.00 16.98 C ATOM 1004 CD LYS A 63 14.142 -9.929 1.291 1.00 20.19 C ATOM 1005 CE LYS A 63 13.930 -11.429 1.205 1.00 23.42 C ATOM 1006 NZ LYS A 63 13.864 -11.981 2.532 1.00 25.97 N ATOM 0 H LYS A 63 13.659 -5.355 2.715 1.00 11.73 H new ATOM 0 HA LYS A 63 11.425 -6.557 1.545 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.610 -7.227 0.811 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.188 -7.481 2.446 1.00 13.73 H new ATOM 0 HG2 LYS A 63 12.568 -9.432 2.654 1.00 16.98 H new ATOM 0 HG3 LYS A 63 12.151 -9.213 0.966 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.490 -9.581 0.318 1.00 20.19 H new ATOM 0 HD3 LYS A 63 14.946 -9.742 2.003 1.00 20.19 H new ATOM 0 HE2 LYS A 63 13.010 -11.646 0.663 1.00 23.42 H new ATOM 0 HE3 LYS A 63 14.745 -11.891 0.648 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 13.668 -13.001 2.474 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 14.772 -11.830 3.016 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 13.104 -11.512 3.066 1.00 25.97 H new ATOM 1020 N GLU A 64 10.192 -7.913 3.137 1.00 10.04 N ATOM 1021 CA GLU A 64 9.224 -8.523 4.033 1.00 10.94 C ATOM 1022 C GLU A 64 8.610 -7.554 5.081 1.00 9.74 C ATOM 1023 O GLU A 64 7.960 -8.014 6.011 1.00 9.42 O ATOM 1024 CB GLU A 64 9.780 -9.795 4.683 1.00 18.31 C ATOM 1025 CG GLU A 64 10.105 -10.883 3.634 1.00 24.16 C ATOM 1026 CD GLU A 64 10.957 -11.966 4.305 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.165 -11.686 4.443 1.00 32.61 O ATOM 1028 OE2 GLU A 64 10.477 -13.056 4.753 1.00 31.72 O ATOM 0 H GLU A 64 9.874 -7.895 2.168 1.00 10.04 H new ATOM 0 HA GLU A 64 8.386 -8.805 3.396 1.00 10.94 H new ATOM 0 HB2 GLU A 64 10.682 -9.551 5.245 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.055 -10.185 5.397 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.186 -11.315 3.239 1.00 24.16 H new ATOM 0 HG3 GLU A 64 10.641 -10.448 2.790 1.00 24.16 H new ATOM 1035 N SER A 65 8.711 -6.207 4.839 1.00 6.85 N ATOM 1036 CA SER A 65 7.986 -5.243 5.615 1.00 6.90 C ATOM 1037 C SER A 65 6.519 -5.260 5.224 1.00 4.72 C ATOM 1038 O SER A 65 6.118 -5.603 4.109 1.00 3.91 O ATOM 1039 CB SER A 65 8.623 -3.789 5.418 1.00 7.28 C ATOM 1040 OG SER A 65 8.153 -2.823 6.399 1.00 10.56 O ATOM 0 H SER A 65 9.295 -5.803 4.107 1.00 6.85 H new ATOM 0 HA SER A 65 8.058 -5.502 6.671 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.709 -3.863 5.481 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.385 -3.427 4.418 1.00 7.28 H new ATOM 0 HG SER A 65 8.688 -2.005 6.335 1.00 10.56 H new ATOM 1046 N THR A 66 5.657 -4.853 6.207 1.00 4.48 N ATOM 1047 CA THR A 66 4.212 -4.974 6.187 1.00 3.80 C ATOM 1048 C THR A 66 3.616 -3.581 6.153 1.00 4.60 C ATOM 1049 O THR A 66 3.963 -2.743 7.009 1.00 5.33 O ATOM 1050 CB THR A 66 3.534 -5.600 7.370 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.090 -6.871 7.671 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.065 -5.886 7.152 1.00 3.40 C ATOM 0 H THR A 66 5.994 -4.414 7.064 1.00 4.48 H new ATOM 0 HA THR A 66 4.045 -5.621 5.326 1.00 3.80 H new ATOM 0 HB THR A 66 3.675 -4.866 8.163 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.630 -7.254 8.447 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.645 -6.338 8.051 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.541 -4.955 6.935 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.948 -6.572 6.313 1.00 3.40 H new ATOM 1060 N LEU A 67 2.841 -3.264 5.130 1.00 4.17 N ATOM 1061 CA LEU A 67 2.070 -2.043 4.934 1.00 3.85 C ATOM 1062 C LEU A 67 0.647 -2.397 5.400 1.00 3.80 C ATOM 1063 O LEU A 67 0.098 -3.531 5.258 1.00 5.54 O ATOM 1064 CB LEU A 67 2.132 -1.451 3.499 1.00 7.18 C ATOM 1065 CG LEU A 67 3.502 -1.427 2.723 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.257 -0.745 1.389 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.633 -0.738 3.501 1.00 11.66 C ATOM 0 H LEU A 67 2.724 -3.908 4.347 1.00 4.17 H new ATOM 0 HA LEU A 67 2.495 -1.224 5.514 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.421 -2.006 2.887 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.771 -0.424 3.555 1.00 7.18 H new ATOM 0 HG LEU A 67 3.845 -2.452 2.583 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.187 -0.710 0.822 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.510 -1.304 0.826 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.898 0.270 1.560 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.547 -0.758 2.908 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.356 0.296 3.706 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.800 -1.263 4.442 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.041 -1.423 6.036 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.376 -1.640 6.499 1.00 4.17 C ATOM 1081 C HIS A 68 -2.357 -0.956 5.568 1.00 5.32 C ATOM 1082 O HIS A 68 -2.236 0.196 5.227 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.629 -1.056 7.903 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.503 -1.245 8.858 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.640 -0.509 8.917 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.283 -2.238 9.760 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.565 -1.139 9.746 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.992 -2.213 10.303 1.00 16.30 N ATOM 0 H HIS A 68 0.329 -0.492 6.227 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.511 -2.721 6.529 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.834 0.010 7.808 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.524 -1.517 8.320 1.00 5.57 H new ATOM 0 HD1 HIS A 68 0.796 0.372 8.427 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -1.028 -2.973 10.027 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.581 -0.813 9.913 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.330 -1.773 5.138 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.341 -1.323 4.240 1.00 3.97 C ATOM 1098 C LEU A 69 -5.505 -0.765 5.026 1.00 5.07 C ATOM 1099 O LEU A 69 -6.183 -1.483 5.768 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.876 -2.408 3.224 1.00 6.08 C ATOM 1101 CG LEU A 69 -6.128 -2.084 2.420 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.950 -0.884 1.463 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.451 -3.251 1.540 1.00 9.96 C ATOM 0 H LEU A 69 -3.416 -2.751 5.414 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.860 -0.560 3.629 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -4.075 -2.628 2.519 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.067 -3.323 3.784 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.903 -1.852 3.150 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.880 -0.709 0.922 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.692 0.005 2.038 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -5.152 -1.100 0.752 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.346 -3.031 0.959 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.617 -3.439 0.864 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.626 -4.134 2.155 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.811 0.526 4.848 1.00 4.29 N ATOM 1116 CA VAL A 70 -6.950 1.179 5.493 1.00 6.26 C ATOM 1117 C VAL A 70 -7.934 1.600 4.412 1.00 9.22 C ATOM 1118 O VAL A 70 -7.587 2.099 3.329 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.517 2.290 6.405 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.752 2.963 6.998 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.698 1.779 7.543 1.00 8.54 C ATOM 0 H VAL A 70 -5.270 1.148 4.248 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.463 0.483 6.157 1.00 6.26 H new ATOM 0 HB VAL A 70 -5.921 2.986 5.815 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.443 3.771 7.661 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.367 3.368 6.194 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.330 2.231 7.562 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.403 2.612 8.182 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.285 1.067 8.123 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.807 1.284 7.157 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.232 1.216 4.582 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.279 1.186 3.525 1.00 16.06 C ATOM 1133 C LEU A 71 -11.147 2.453 3.527 1.00 18.09 C ATOM 1134 O LEU A 71 -12.008 2.649 4.392 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.134 -0.125 3.614 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.833 -0.356 2.251 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -10.850 -0.853 1.181 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -12.964 -1.284 2.521 1.00 19.57 C ATOM 0 H LEU A 71 -9.586 0.910 5.488 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.769 1.175 2.562 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -10.498 -0.975 3.861 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.875 -0.040 4.409 1.00 17.10 H new ATOM 0 HG LEU A 71 -12.218 0.572 1.827 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.381 -1.002 0.241 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -10.062 -0.113 1.039 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -10.409 -1.796 1.502 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -13.498 -1.486 1.593 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -12.578 -2.219 2.929 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -13.645 -0.828 3.240 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.001 3.285 2.404 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.691 4.609 2.232 1.00 25.83 C ATOM 1152 C ARG A 72 -13.093 4.459 1.719 1.00 27.74 C ATOM 1153 O ARG A 72 -13.343 3.577 0.912 1.00 30.65 O ATOM 1154 CB ARG A 72 -10.903 5.580 1.239 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.457 7.007 1.074 1.00 31.79 C ATOM 1156 CD ARG A 72 -10.600 7.867 0.181 1.00 34.05 C ATOM 1157 NE ARG A 72 -11.198 9.260 0.163 1.00 35.08 N ATOM 1158 CZ ARG A 72 -10.653 10.290 -0.533 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -9.415 10.244 -0.939 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -11.380 11.386 -0.722 1.00 35.02 N ATOM 0 H ARG A 72 -10.404 3.040 1.614 1.00 21.47 H new ATOM 0 HA ARG A 72 -11.712 5.047 3.230 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -9.872 5.654 1.585 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -10.877 5.111 0.256 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -12.465 6.955 0.662 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -11.537 7.476 2.055 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -9.575 7.897 0.550 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -10.565 7.454 -0.827 1.00 34.05 H new ATOM 0 HE ARG A 72 -12.049 9.431 0.699 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -8.841 9.426 -0.735 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -9.020 11.026 -1.461 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -12.327 11.441 -0.347 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -10.991 12.173 -1.242 1.00 35.02 H new ATOM 1174 N LEU A 73 -14.057 5.240 2.196 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.399 5.274 1.681 1.00 30.76 C ATOM 1176 C LEU A 73 -15.626 6.014 0.384 1.00 32.18 C ATOM 1177 O LEU A 73 -14.887 6.941 0.007 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.466 5.866 2.714 1.00 30.53 C ATOM 1179 CG LEU A 73 -16.481 5.154 4.125 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -17.729 5.684 4.793 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -16.513 3.625 3.983 1.00 29.11 C ATOM 0 H LEU A 73 -13.910 5.882 2.975 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.546 4.210 1.496 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -16.262 6.927 2.859 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -17.460 5.790 2.273 1.00 30.53 H new ATOM 0 HG LEU A 73 -15.584 5.362 4.707 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -17.826 5.243 5.785 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -17.661 6.768 4.882 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -18.601 5.423 4.194 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -16.523 3.168 4.972 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -17.409 3.329 3.438 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -15.630 3.292 3.438 1.00 29.11 H new ATOM 1193 N ARG A 74 -16.693 5.598 -0.348 1.00 33.82 N ATOM 1194 CA ARG A 74 -17.091 6.282 -1.591 1.00 35.33 C ATOM 1195 C ARG A 74 -17.557 7.709 -1.379 1.00 36.22 C ATOM 1196 O ARG A 74 -17.260 8.612 -2.193 1.00 36.70 O ATOM 1197 CB ARG A 74 -18.182 5.532 -2.383 1.00 36.91 C ATOM 1198 CG ARG A 74 -17.837 4.057 -2.674 1.00 38.62 C ATOM 1199 CD ARG A 74 -18.892 3.296 -3.524 1.00 39.75 C ATOM 1200 NE ARG A 74 -18.431 1.998 -3.946 1.00 41.13 N ATOM 1201 CZ ARG A 74 -17.870 1.733 -5.156 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -17.720 2.575 -6.119 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -17.349 0.528 -5.342 1.00 41.93 N ATOM 0 H ARG A 74 -17.281 4.803 -0.097 1.00 33.82 H new ATOM 0 HA ARG A 74 -16.169 6.293 -2.173 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -19.117 5.573 -1.824 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -18.352 6.049 -3.327 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -16.878 4.018 -3.191 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -17.710 3.535 -1.726 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -19.807 3.181 -2.943 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -19.144 3.891 -4.402 1.00 39.75 H new ATOM 0 HE ARG A 74 -18.533 1.223 -3.291 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -18.036 3.538 -6.008 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -17.285 2.278 -6.993 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -17.378 -0.162 -4.591 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -16.919 0.291 -6.236 1.00 41.93 H new ATOM 1217 N GLY A 75 -18.319 7.962 -0.293 1.00 36.31 N ATOM 1218 CA GLY A 75 -18.886 9.272 -0.008 1.00 36.07 C ATOM 1219 C GLY A 75 -18.030 10.267 0.768 1.00 36.16 C ATOM 1220 O GLY A 75 -18.422 11.385 1.030 1.00 36.26 O ATOM 0 H GLY A 75 -18.551 7.254 0.404 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -19.156 9.733 -0.958 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -19.811 9.122 0.548 1.00 36.07 H new ATOM 1224 N GLY A 76 -16.818 9.805 1.123 1.00 36.05 N ATOM 1225 CA GLY A 76 -15.757 10.515 1.768 1.00 36.19 C ATOM 1226 C GLY A 76 -14.418 10.190 1.045 1.00 36.20 C ATOM 1227 O GLY A 76 -14.253 10.549 -0.175 1.00 0.00 O ATOM 1228 OXT GLY A 76 -13.543 9.598 1.639 1.00 0.00 O ATOM 0 H GLY A 76 -16.557 8.836 0.939 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -15.950 11.587 1.740 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -15.697 10.230 2.818 1.00 36.19 H new TER 1232 GLY A 76