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 22 THR OG1 : rot -44:sc= 1.25 USER MOD Set 1.2: A 25 ASN : amide:sc= 1.94 K(o=3.2,f=-6.9!) USER MOD Set 2.1: A 6 LYS NZ :NH3+ 151:sc= 1.33 (180deg=1.17) USER MOD Set 2.2: A 12 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 7 THR OG1 : rot 123:sc= 0.919 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.00241 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 165:sc= 0.442 (180deg=0.323) USER MOD Single : A 2 GLN : amide:sc= -0.111 K(o=-0.11,f=-0.63) USER MOD Single : A 11 LYS NZ :NH3+ -115:sc= 0.99 (180deg=-1.18!) 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+ 157:sc= 1.17 (180deg=0.821) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.938 K(o=-0.94,f=-1.8) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0291 K(o=-0.029,f=-1.6!) USER MOD Single : A 41 GLN : amide:sc= 0.0734 K(o=0.073,f=-1.4) USER MOD Single : A 48 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.091) USER MOD Single : A 49 GLN : amide:sc= -0.0227 K(o=-0.023,f=-1.5!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.601 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -143:sc= 1.13 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0.207 X(o=0.21,f=-0.21) USER MOD Single : A 63 LYS NZ :NH3+ -171:sc= 1.08 (180deg=1) USER MOD Single : A 65 SER OG : rot -165:sc= 0.0183 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.0992 K(o=0.099,f=-0.45) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.806 3.099 -4.370 1.00 9.67 N ATOM 2 CA MET A 1 -13.405 3.801 -3.131 1.00 10.38 C ATOM 3 C MET A 1 -11.975 4.214 -3.055 1.00 9.62 C ATOM 4 O MET A 1 -11.194 3.902 -3.953 1.00 9.62 O ATOM 5 CB MET A 1 -13.889 3.098 -1.852 1.00 13.77 C ATOM 6 CG MET A 1 -13.374 1.678 -1.613 1.00 16.29 C ATOM 7 SD MET A 1 -11.720 1.456 -0.890 1.00 17.17 S ATOM 8 CE MET A 1 -11.855 -0.311 -0.493 1.00 16.11 C ATOM 0 H1 MET A 1 -14.726 2.637 -4.225 1.00 9.67 H new ATOM 0 H2 MET A 1 -13.881 3.784 -5.148 1.00 9.67 H new ATOM 0 H3 MET A 1 -13.092 2.381 -4.609 1.00 9.67 H new ATOM 0 HA MET A 1 -13.944 4.746 -3.196 1.00 10.38 H new ATOM 0 HB2 MET A 1 -13.604 3.712 -0.998 1.00 13.77 H new ATOM 0 HB3 MET A 1 -14.978 3.066 -1.872 1.00 13.77 H new ATOM 0 HG2 MET A 1 -14.089 1.173 -0.963 1.00 16.29 H new ATOM 0 HG3 MET A 1 -13.389 1.156 -2.570 1.00 16.29 H new ATOM 0 HE1 MET A 1 -10.928 -0.652 -0.032 1.00 16.11 H new ATOM 0 HE2 MET A 1 -12.683 -0.466 0.199 1.00 16.11 H new ATOM 0 HE3 MET A 1 -12.036 -0.877 -1.407 1.00 16.11 H new ATOM 20 N GLN A 2 -11.524 4.981 -2.046 1.00 9.27 N ATOM 21 CA GLN A 2 -10.154 5.331 -1.832 1.00 9.07 C ATOM 22 C GLN A 2 -9.384 4.631 -0.766 1.00 8.72 C ATOM 23 O GLN A 2 -10.005 4.306 0.245 1.00 8.22 O ATOM 24 CB GLN A 2 -9.908 6.849 -1.848 1.00 14.46 C ATOM 25 CG GLN A 2 -10.372 7.575 -3.112 1.00 17.01 C ATOM 26 CD GLN A 2 -10.256 9.093 -3.154 1.00 20.10 C ATOM 27 OE1 GLN A 2 -9.584 9.722 -3.970 1.00 21.89 O ATOM 28 NE2 GLN A 2 -10.890 9.766 -2.157 1.00 19.49 N ATOM 0 H GLN A 2 -12.148 5.377 -1.343 1.00 9.27 H new ATOM 0 HA GLN A 2 -9.703 4.894 -2.723 1.00 9.07 H new ATOM 0 HB2 GLN A 2 -10.413 7.291 -0.989 1.00 14.46 H new ATOM 0 HB3 GLN A 2 -8.841 7.029 -1.717 1.00 14.46 H new ATOM 0 HG2 GLN A 2 -9.806 7.174 -3.953 1.00 17.01 H new ATOM 0 HG3 GLN A 2 -11.417 7.316 -3.280 1.00 17.01 H new ATOM 0 HE21 GLN A 2 -11.450 9.256 -1.474 1.00 19.49 H new ATOM 0 HE22 GLN A 2 -10.805 10.780 -2.092 1.00 19.49 H new ATOM 37 N ILE A 3 -8.075 4.346 -0.889 1.00 5.87 N ATOM 38 CA ILE A 3 -7.258 3.935 0.210 1.00 5.07 C ATOM 39 C ILE A 3 -6.125 4.900 0.285 1.00 4.01 C ATOM 40 O ILE A 3 -5.815 5.637 -0.650 1.00 4.61 O ATOM 41 CB ILE A 3 -6.868 2.492 0.338 1.00 6.55 C ATOM 42 CG1 ILE A 3 -5.945 2.018 -0.797 1.00 4.72 C ATOM 43 CG2 ILE A 3 -8.148 1.641 0.388 1.00 5.58 C ATOM 44 CD1 ILE A 3 -5.286 0.692 -0.419 1.00 10.83 C ATOM 0 H ILE A 3 -7.572 4.403 -1.775 1.00 5.87 H new ATOM 0 HA ILE A 3 -7.888 3.973 1.099 1.00 5.07 H new ATOM 0 HB ILE A 3 -6.295 2.375 1.258 1.00 6.55 H new ATOM 0 HG12 ILE A 3 -6.518 1.899 -1.717 1.00 4.72 H new ATOM 0 HG13 ILE A 3 -5.181 2.770 -0.993 1.00 4.72 H new ATOM 0 HG21 ILE A 3 -7.882 0.588 0.481 1.00 5.58 H new ATOM 0 HG22 ILE A 3 -8.750 1.940 1.246 1.00 5.58 H new ATOM 0 HG23 ILE A 3 -8.721 1.791 -0.527 1.00 5.58 H new ATOM 0 HD11 ILE A 3 -4.635 0.365 -1.230 1.00 10.83 H new ATOM 0 HD12 ILE A 3 -4.697 0.824 0.489 1.00 10.83 H new ATOM 0 HD13 ILE A 3 -6.055 -0.060 -0.246 1.00 10.83 H new ATOM 56 N PHE A 4 -5.599 4.978 1.521 1.00 4.55 N ATOM 57 CA PHE A 4 -4.597 5.931 1.887 1.00 4.68 C ATOM 58 C PHE A 4 -3.327 5.201 2.159 1.00 5.30 C ATOM 59 O PHE A 4 -3.319 4.142 2.784 1.00 5.58 O ATOM 60 CB PHE A 4 -5.077 6.606 3.183 1.00 4.83 C ATOM 61 CG PHE A 4 -6.301 7.441 3.025 1.00 7.97 C ATOM 62 CD1 PHE A 4 -6.642 8.144 1.894 1.00 8.34 C ATOM 63 CD2 PHE A 4 -7.193 7.527 4.069 1.00 6.69 C ATOM 64 CE1 PHE A 4 -7.726 8.988 1.834 1.00 10.61 C ATOM 65 CE2 PHE A 4 -8.292 8.352 4.012 1.00 9.10 C ATOM 66 CZ PHE A 4 -8.633 9.031 2.866 1.00 8.90 C ATOM 0 H PHE A 4 -5.878 4.363 2.285 1.00 4.55 H new ATOM 0 HA PHE A 4 -4.433 6.666 1.099 1.00 4.68 H new ATOM 0 HB2 PHE A 4 -5.271 5.836 3.929 1.00 4.83 H new ATOM 0 HB3 PHE A 4 -4.273 7.231 3.572 1.00 4.83 H new ATOM 0 HD1 PHE A 4 -6.030 8.028 1.012 1.00 8.34 H new ATOM 0 HD2 PHE A 4 -7.026 6.932 4.955 1.00 6.69 H new ATOM 0 HE1 PHE A 4 -7.866 9.621 0.970 1.00 10.61 H new ATOM 0 HE2 PHE A 4 -8.905 8.470 4.893 1.00 9.10 H new ATOM 0 HZ PHE A 4 -9.565 9.570 2.781 1.00 8.90 H new ATOM 76 N VAL A 5 -2.206 5.759 1.668 1.00 4.44 N ATOM 77 CA VAL A 5 -0.928 5.176 1.933 1.00 3.87 C ATOM 78 C VAL A 5 0.017 6.180 2.498 1.00 4.93 C ATOM 79 O VAL A 5 0.315 7.222 1.916 1.00 6.84 O ATOM 80 CB VAL A 5 -0.432 4.458 0.713 1.00 2.99 C ATOM 81 CG1 VAL A 5 0.890 3.719 0.983 1.00 5.28 C ATOM 82 CG2 VAL A 5 -1.495 3.407 0.352 1.00 9.13 C ATOM 0 H VAL A 5 -2.183 6.603 1.095 1.00 4.44 H new ATOM 0 HA VAL A 5 -1.017 4.418 2.712 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.260 5.182 -0.084 1.00 2.99 H new ATOM 0 HG11 VAL A 5 1.215 3.212 0.075 1.00 5.28 H new ATOM 0 HG12 VAL A 5 1.651 4.436 1.291 1.00 5.28 H new ATOM 0 HG13 VAL A 5 0.741 2.985 1.775 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -1.177 2.857 -0.534 1.00 9.13 H new ATOM 0 HG22 VAL A 5 -1.619 2.714 1.184 1.00 9.13 H new ATOM 0 HG23 VAL A 5 -2.444 3.904 0.149 1.00 9.13 H new ATOM 92 N LYS A 6 0.558 5.876 3.692 1.00 6.04 N ATOM 93 CA LYS A 6 1.325 6.779 4.493 1.00 6.12 C ATOM 94 C LYS A 6 2.796 6.571 4.377 1.00 6.57 C ATOM 95 O LYS A 6 3.179 5.402 4.401 1.00 5.76 O ATOM 96 CB LYS A 6 0.946 6.728 5.982 1.00 7.45 C ATOM 97 CG LYS A 6 1.733 7.510 7.036 1.00 11.12 C ATOM 98 CD LYS A 6 1.695 9.025 6.822 1.00 14.54 C ATOM 99 CE LYS A 6 0.332 9.666 7.091 1.00 18.84 C ATOM 100 NZ LYS A 6 0.483 11.124 7.298 1.00 20.55 N ATOM 0 H LYS A 6 0.455 4.955 4.119 1.00 6.04 H new ATOM 0 HA LYS A 6 1.076 7.760 4.089 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.092 7.053 6.056 1.00 7.45 H new ATOM 0 HB3 LYS A 6 0.973 5.680 6.280 1.00 7.45 H new ATOM 0 HG2 LYS A 6 1.332 7.280 8.023 1.00 11.12 H new ATOM 0 HG3 LYS A 6 2.770 7.175 7.027 1.00 11.12 H new ATOM 0 HD2 LYS A 6 2.437 9.490 7.471 1.00 14.54 H new ATOM 0 HD3 LYS A 6 1.989 9.242 5.795 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -0.338 9.478 6.252 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -0.124 9.212 7.971 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -0.386 11.609 6.997 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.655 11.316 8.306 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 1.286 11.473 6.737 1.00 20.55 H new ATOM 114 N THR A 7 3.589 7.605 4.044 1.00 7.41 N ATOM 115 CA THR A 7 5.017 7.552 3.994 1.00 7.48 C ATOM 116 C THR A 7 5.684 7.753 5.311 1.00 8.75 C ATOM 117 O THR A 7 5.018 7.996 6.316 1.00 8.58 O ATOM 118 CB THR A 7 5.692 8.406 2.962 1.00 9.61 C ATOM 119 OG1 THR A 7 5.635 9.782 3.311 1.00 11.78 O ATOM 120 CG2 THR A 7 5.039 8.096 1.604 1.00 9.17 C ATOM 0 H THR A 7 3.216 8.522 3.798 1.00 7.41 H new ATOM 0 HA THR A 7 5.158 6.520 3.673 1.00 7.48 H new ATOM 0 HB THR A 7 6.756 8.176 2.903 1.00 9.61 H new ATOM 0 HG1 THR A 7 6.544 10.146 3.355 1.00 11.78 H new ATOM 0 HG21 THR A 7 5.507 8.702 0.828 1.00 9.17 H new ATOM 0 HG22 THR A 7 5.172 7.040 1.369 1.00 9.17 H new ATOM 0 HG23 THR A 7 3.975 8.326 1.651 1.00 9.17 H new ATOM 128 N LEU A 8 7.017 7.597 5.392 1.00 9.84 N ATOM 129 CA LEU A 8 7.728 7.817 6.613 1.00 14.15 C ATOM 130 C LEU A 8 7.815 9.258 6.981 1.00 17.37 C ATOM 131 O LEU A 8 7.663 9.683 8.125 1.00 17.01 O ATOM 132 CB LEU A 8 9.149 7.248 6.462 1.00 16.63 C ATOM 133 CG LEU A 8 10.026 7.191 7.724 1.00 18.88 C ATOM 134 CD1 LEU A 8 9.323 6.593 8.954 1.00 18.59 C ATOM 135 CD2 LEU A 8 11.175 6.221 7.402 1.00 19.31 C ATOM 0 H LEU A 8 7.605 7.317 4.607 1.00 9.84 H new ATOM 0 HA LEU A 8 7.179 7.315 7.410 1.00 14.15 H new ATOM 0 HB2 LEU A 8 9.066 6.237 6.063 1.00 16.63 H new ATOM 0 HB3 LEU A 8 9.673 7.844 5.714 1.00 16.63 H new ATOM 0 HG LEU A 8 10.318 8.214 7.964 1.00 18.88 H new ATOM 0 HD11 LEU A 8 10.010 6.589 9.800 1.00 18.59 H new ATOM 0 HD12 LEU A 8 8.447 7.194 9.200 1.00 18.59 H new ATOM 0 HD13 LEU A 8 9.012 5.572 8.735 1.00 18.59 H new ATOM 0 HD21 LEU A 8 11.835 6.139 8.266 1.00 19.31 H new ATOM 0 HD22 LEU A 8 10.766 5.239 7.163 1.00 19.31 H new ATOM 0 HD23 LEU A 8 11.739 6.596 6.548 1.00 19.31 H new ATOM 147 N THR A 9 8.101 10.091 5.965 1.00 18.33 N ATOM 148 CA THR A 9 8.140 11.516 6.078 1.00 19.24 C ATOM 149 C THR A 9 6.767 12.035 6.330 1.00 19.48 C ATOM 150 O THR A 9 6.608 13.146 6.835 1.00 23.14 O ATOM 151 CB THR A 9 8.680 12.286 4.909 1.00 18.97 C ATOM 152 OG1 THR A 9 8.032 11.972 3.685 1.00 20.24 O ATOM 153 CG2 THR A 9 10.208 12.169 4.783 1.00 19.70 C ATOM 0 H THR A 9 8.314 9.758 5.025 1.00 18.33 H new ATOM 0 HA THR A 9 8.841 11.676 6.897 1.00 19.24 H new ATOM 0 HB THR A 9 8.451 13.330 5.121 1.00 18.97 H new ATOM 0 HG1 THR A 9 8.424 12.504 2.961 1.00 20.24 H new ATOM 0 HG21 THR A 9 10.547 12.744 3.922 1.00 19.70 H new ATOM 0 HG22 THR A 9 10.678 12.557 5.687 1.00 19.70 H new ATOM 0 HG23 THR A 9 10.483 11.123 4.651 1.00 19.70 H new ATOM 161 N GLY A 10 5.699 11.302 5.967 1.00 19.43 N ATOM 162 CA GLY A 10 4.353 11.670 6.276 1.00 18.74 C ATOM 163 C GLY A 10 3.314 11.952 5.246 1.00 17.62 C ATOM 164 O GLY A 10 2.217 12.388 5.594 1.00 19.74 O ATOM 0 H GLY A 10 5.774 10.429 5.444 1.00 19.43 H new ATOM 0 HA2 GLY A 10 3.954 10.872 6.902 1.00 18.74 H new ATOM 0 HA3 GLY A 10 4.416 12.562 6.899 1.00 18.74 H new ATOM 168 N LYS A 11 3.574 11.648 3.962 1.00 13.56 N ATOM 169 CA LYS A 11 2.654 12.094 2.962 1.00 11.91 C ATOM 170 C LYS A 11 1.624 11.018 2.910 1.00 10.18 C ATOM 171 O LYS A 11 1.907 9.838 3.109 1.00 9.10 O ATOM 172 CB LYS A 11 3.407 12.339 1.643 1.00 13.43 C ATOM 173 CG LYS A 11 2.531 12.846 0.496 1.00 16.69 C ATOM 174 CD LYS A 11 3.248 12.728 -0.850 1.00 17.92 C ATOM 175 CE LYS A 11 2.404 13.231 -2.023 1.00 20.81 C ATOM 176 NZ LYS A 11 3.212 13.302 -3.261 1.00 21.93 N ATOM 0 H LYS A 11 4.379 11.120 3.626 1.00 13.56 H new ATOM 0 HA LYS A 11 2.172 13.049 3.173 1.00 11.91 H new ATOM 0 HB2 LYS A 11 4.202 13.062 1.823 1.00 13.43 H new ATOM 0 HB3 LYS A 11 3.885 11.409 1.334 1.00 13.43 H new ATOM 0 HG2 LYS A 11 1.602 12.276 0.466 1.00 16.69 H new ATOM 0 HG3 LYS A 11 2.261 13.887 0.676 1.00 16.69 H new ATOM 0 HD2 LYS A 11 4.179 13.294 -0.810 1.00 17.92 H new ATOM 0 HD3 LYS A 11 3.516 11.686 -1.023 1.00 17.92 H new ATOM 0 HE2 LYS A 11 1.554 12.566 -2.176 1.00 20.81 H new ATOM 0 HE3 LYS A 11 2.000 14.216 -1.790 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 3.297 14.293 -3.563 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 4.159 12.912 -3.080 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 2.748 12.750 -4.011 1.00 21.93 H new ATOM 190 N THR A 12 0.370 11.423 2.642 1.00 9.63 N ATOM 191 CA THR A 12 -0.716 10.511 2.457 1.00 9.85 C ATOM 192 C THR A 12 -1.192 10.461 1.046 1.00 11.66 C ATOM 193 O THR A 12 -1.772 11.413 0.528 1.00 12.33 O ATOM 194 CB THR A 12 -1.941 10.816 3.267 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.640 11.070 4.631 1.00 10.91 O ATOM 196 CG2 THR A 12 -2.868 9.590 3.331 1.00 9.63 C ATOM 0 H THR A 12 0.105 12.404 2.552 1.00 9.63 H new ATOM 0 HA THR A 12 -0.276 9.568 2.781 1.00 9.85 H new ATOM 0 HB THR A 12 -2.390 11.682 2.780 1.00 10.85 H new ATOM 0 HG1 THR A 12 -2.468 11.265 5.118 1.00 10.91 H new ATOM 0 HG21 THR A 12 -3.751 9.832 3.923 1.00 9.63 H new ATOM 0 HG22 THR A 12 -3.173 9.311 2.322 1.00 9.63 H new ATOM 0 HG23 THR A 12 -2.338 8.757 3.793 1.00 9.63 H new ATOM 204 N ILE A 13 -0.808 9.359 0.377 1.00 10.42 N ATOM 205 CA ILE A 13 -0.998 9.040 -1.004 1.00 11.84 C ATOM 206 C ILE A 13 -2.335 8.438 -1.269 1.00 10.55 C ATOM 207 O ILE A 13 -2.794 7.601 -0.492 1.00 11.92 O ATOM 208 CB ILE A 13 0.073 8.100 -1.471 1.00 14.86 C ATOM 209 CG1 ILE A 13 1.441 8.545 -0.927 1.00 14.87 C ATOM 210 CG2 ILE A 13 0.064 8.063 -3.009 1.00 17.08 C ATOM 211 CD1 ILE A 13 2.496 7.442 -1.004 1.00 16.46 C ATOM 0 H ILE A 13 -0.310 8.611 0.860 1.00 10.42 H new ATOM 0 HA ILE A 13 -0.940 9.978 -1.557 1.00 11.84 H new ATOM 0 HB ILE A 13 -0.118 7.095 -1.094 1.00 14.86 H new ATOM 0 HG12 ILE A 13 1.786 9.412 -1.490 1.00 14.87 H new ATOM 0 HG13 ILE A 13 1.329 8.863 0.110 1.00 14.87 H new ATOM 0 HG21 ILE A 13 0.839 7.382 -3.361 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.909 7.717 -3.359 1.00 17.08 H new ATOM 0 HG23 ILE A 13 0.255 9.063 -3.398 1.00 17.08 H new ATOM 0 HD11 ILE A 13 3.440 7.813 -0.606 1.00 16.46 H new ATOM 0 HD12 ILE A 13 2.168 6.583 -0.418 1.00 16.46 H new ATOM 0 HD13 ILE A 13 2.633 7.141 -2.043 1.00 16.46 H new ATOM 223 N THR A 14 -3.124 8.924 -2.244 1.00 9.39 N ATOM 224 CA THR A 14 -4.454 8.446 -2.459 1.00 9.63 C ATOM 225 C THR A 14 -4.579 7.582 -3.666 1.00 11.20 C ATOM 226 O THR A 14 -4.326 8.097 -4.754 1.00 11.63 O ATOM 227 CB THR A 14 -5.361 9.592 -2.796 1.00 10.38 C ATOM 228 OG1 THR A 14 -5.083 10.671 -1.915 1.00 16.30 O ATOM 229 CG2 THR A 14 -6.758 9.049 -2.450 1.00 11.66 C ATOM 0 H THR A 14 -2.835 9.658 -2.891 1.00 9.39 H new ATOM 0 HA THR A 14 -4.704 7.910 -1.544 1.00 9.63 H new ATOM 0 HB THR A 14 -5.257 9.936 -3.825 1.00 10.38 H new ATOM 0 HG1 THR A 14 -5.670 11.427 -2.128 1.00 16.30 H new ATOM 0 HG21 THR A 14 -7.507 9.812 -2.660 1.00 11.66 H new ATOM 0 HG22 THR A 14 -6.964 8.164 -3.052 1.00 11.66 H new ATOM 0 HG23 THR A 14 -6.794 8.786 -1.393 1.00 11.66 H new ATOM 237 N LEU A 15 -4.939 6.301 -3.470 1.00 8.29 N ATOM 238 CA LEU A 15 -5.082 5.334 -4.514 1.00 9.03 C ATOM 239 C LEU A 15 -6.506 4.896 -4.482 1.00 8.59 C ATOM 240 O LEU A 15 -7.111 4.664 -3.437 1.00 7.79 O ATOM 241 CB LEU A 15 -4.169 4.099 -4.591 1.00 11.08 C ATOM 242 CG LEU A 15 -2.651 4.323 -4.483 1.00 15.79 C ATOM 243 CD1 LEU A 15 -2.106 5.561 -5.215 1.00 15.27 C ATOM 244 CD2 LEU A 15 -2.325 4.219 -2.983 1.00 15.88 C ATOM 0 H LEU A 15 -5.139 5.923 -2.544 1.00 8.29 H new ATOM 0 HA LEU A 15 -4.750 5.868 -5.404 1.00 9.03 H new ATOM 0 HB2 LEU A 15 -4.464 3.414 -3.796 1.00 11.08 H new ATOM 0 HB3 LEU A 15 -4.367 3.594 -5.537 1.00 11.08 H new ATOM 0 HG LEU A 15 -2.107 3.558 -5.037 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -1.027 5.622 -5.073 1.00 15.27 H new ATOM 0 HD12 LEU A 15 -2.328 5.481 -6.279 1.00 15.27 H new ATOM 0 HD13 LEU A 15 -2.576 6.458 -4.812 1.00 15.27 H new ATOM 0 HD21 LEU A 15 -1.256 4.369 -2.832 1.00 15.88 H new ATOM 0 HD22 LEU A 15 -2.879 4.982 -2.436 1.00 15.88 H new ATOM 0 HD23 LEU A 15 -2.608 3.232 -2.617 1.00 15.88 H new ATOM 256 N GLU A 16 -7.197 4.869 -5.636 1.00 11.04 N ATOM 257 CA GLU A 16 -8.557 4.452 -5.776 1.00 11.50 C ATOM 258 C GLU A 16 -8.572 3.011 -6.157 1.00 10.13 C ATOM 259 O GLU A 16 -7.973 2.597 -7.148 1.00 9.83 O ATOM 260 CB GLU A 16 -9.345 5.360 -6.735 1.00 17.22 C ATOM 261 CG GLU A 16 -10.847 5.126 -6.911 1.00 23.33 C ATOM 262 CD GLU A 16 -11.402 5.959 -8.057 1.00 26.99 C ATOM 263 OE1 GLU A 16 -10.866 5.885 -9.195 1.00 28.86 O ATOM 264 OE2 GLU A 16 -12.394 6.697 -7.814 1.00 28.90 O ATOM 0 H GLU A 16 -6.781 5.155 -6.522 1.00 11.04 H new ATOM 0 HA GLU A 16 -9.079 4.555 -4.825 1.00 11.50 H new ATOM 0 HB2 GLU A 16 -9.209 6.389 -6.401 1.00 17.22 H new ATOM 0 HB3 GLU A 16 -8.882 5.281 -7.719 1.00 17.22 H new ATOM 0 HG2 GLU A 16 -11.033 4.069 -7.102 1.00 23.33 H new ATOM 0 HG3 GLU A 16 -11.368 5.379 -5.988 1.00 23.33 H new ATOM 271 N VAL A 17 -9.252 2.225 -5.303 1.00 8.99 N ATOM 272 CA VAL A 17 -9.339 0.812 -5.505 1.00 8.85 C ATOM 273 C VAL A 17 -10.716 0.272 -5.332 1.00 8.04 C ATOM 274 O VAL A 17 -11.652 1.010 -5.029 1.00 8.99 O ATOM 275 CB VAL A 17 -8.366 0.121 -4.597 1.00 9.78 C ATOM 276 CG1 VAL A 17 -6.957 0.481 -5.098 1.00 12.05 C ATOM 277 CG2 VAL A 17 -8.638 0.598 -3.160 1.00 10.54 C ATOM 0 H VAL A 17 -9.740 2.567 -4.475 1.00 8.99 H new ATOM 0 HA VAL A 17 -9.080 0.614 -6.545 1.00 8.85 H new ATOM 0 HB VAL A 17 -8.464 -0.965 -4.600 1.00 9.78 H new ATOM 0 HG11 VAL A 17 -6.212 -0.001 -4.465 1.00 12.05 H new ATOM 0 HG12 VAL A 17 -6.838 0.138 -6.126 1.00 12.05 H new ATOM 0 HG13 VAL A 17 -6.822 1.562 -5.058 1.00 12.05 H new ATOM 0 HG21 VAL A 17 -7.943 0.110 -2.477 1.00 10.54 H new ATOM 0 HG22 VAL A 17 -8.504 1.678 -3.104 1.00 10.54 H new ATOM 0 HG23 VAL A 17 -9.660 0.344 -2.880 1.00 10.54 H new ATOM 287 N GLU A 18 -10.946 -1.024 -5.608 1.00 7.29 N ATOM 288 CA GLU A 18 -12.169 -1.726 -5.370 1.00 7.08 C ATOM 289 C GLU A 18 -11.887 -2.528 -4.146 1.00 6.45 C ATOM 290 O GLU A 18 -10.800 -2.408 -3.584 1.00 5.28 O ATOM 291 CB GLU A 18 -12.596 -2.609 -6.555 1.00 10.28 C ATOM 292 CG GLU A 18 -13.044 -1.873 -7.819 1.00 12.65 C ATOM 293 CD GLU A 18 -13.907 -2.673 -8.784 1.00 14.15 C ATOM 294 OE1 GLU A 18 -14.824 -3.313 -8.204 1.00 18.17 O ATOM 295 OE2 GLU A 18 -13.811 -2.662 -10.041 1.00 14.33 O ATOM 0 H GLU A 18 -10.230 -1.620 -6.025 1.00 7.29 H new ATOM 0 HA GLU A 18 -13.010 -1.044 -5.243 1.00 7.08 H new ATOM 0 HB2 GLU A 18 -11.761 -3.260 -6.815 1.00 10.28 H new ATOM 0 HB3 GLU A 18 -13.412 -3.253 -6.226 1.00 10.28 H new ATOM 0 HG2 GLU A 18 -13.597 -0.982 -7.521 1.00 12.65 H new ATOM 0 HG3 GLU A 18 -12.156 -1.533 -8.352 1.00 12.65 H new ATOM 302 N PRO A 19 -12.681 -3.412 -3.618 1.00 7.24 N ATOM 303 CA PRO A 19 -12.330 -4.460 -2.705 1.00 7.07 C ATOM 304 C PRO A 19 -11.615 -5.551 -3.425 1.00 6.65 C ATOM 305 O PRO A 19 -10.901 -6.329 -2.794 1.00 6.37 O ATOM 306 CB PRO A 19 -13.581 -4.876 -1.934 1.00 7.61 C ATOM 307 CG PRO A 19 -14.744 -4.289 -2.750 1.00 8.16 C ATOM 308 CD PRO A 19 -14.119 -3.189 -3.622 1.00 7.49 C ATOM 0 HA PRO A 19 -11.616 -4.125 -1.953 1.00 7.07 H new ATOM 0 HB2 PRO A 19 -13.658 -5.960 -1.856 1.00 7.61 H new ATOM 0 HB3 PRO A 19 -13.570 -4.483 -0.917 1.00 7.61 H new ATOM 0 HG2 PRO A 19 -15.218 -5.055 -3.364 1.00 8.16 H new ATOM 0 HG3 PRO A 19 -15.515 -3.881 -2.097 1.00 8.16 H new ATOM 0 HD2 PRO A 19 -14.513 -3.231 -4.637 1.00 7.49 H new ATOM 0 HD3 PRO A 19 -14.358 -2.201 -3.228 1.00 7.49 H new ATOM 316 N SER A 20 -11.982 -5.667 -4.714 1.00 6.80 N ATOM 317 CA SER A 20 -11.546 -6.652 -5.654 1.00 6.28 C ATOM 318 C SER A 20 -10.129 -6.629 -6.112 1.00 8.45 C ATOM 319 O SER A 20 -9.518 -7.629 -6.487 1.00 7.26 O ATOM 320 CB SER A 20 -12.410 -6.847 -6.912 1.00 8.57 C ATOM 321 OG SER A 20 -12.431 -5.731 -7.790 1.00 11.13 O ATOM 0 H SER A 20 -12.642 -5.012 -5.133 1.00 6.80 H new ATOM 0 HA SER A 20 -11.670 -7.494 -4.973 1.00 6.28 H new ATOM 0 HB2 SER A 20 -12.043 -7.716 -7.458 1.00 8.57 H new ATOM 0 HB3 SER A 20 -13.432 -7.071 -6.605 1.00 8.57 H new ATOM 0 HG SER A 20 -12.998 -5.934 -8.563 1.00 11.13 H new ATOM 327 N ASP A 21 -9.537 -5.421 -6.108 1.00 7.50 N ATOM 328 CA ASP A 21 -8.194 -5.280 -6.578 1.00 7.70 C ATOM 329 C ASP A 21 -7.188 -5.864 -5.646 1.00 7.08 C ATOM 330 O ASP A 21 -7.454 -6.164 -4.484 1.00 8.11 O ATOM 331 CB ASP A 21 -7.876 -3.801 -6.860 1.00 11.00 C ATOM 332 CG ASP A 21 -8.854 -3.257 -7.891 1.00 15.32 C ATOM 333 OD1 ASP A 21 -9.024 -3.974 -8.913 1.00 18.03 O ATOM 334 OD2 ASP A 21 -9.452 -2.168 -7.685 1.00 14.36 O ATOM 0 H ASP A 21 -9.977 -4.559 -5.787 1.00 7.50 H new ATOM 0 HA ASP A 21 -8.124 -5.847 -7.506 1.00 7.70 H new ATOM 0 HB2 ASP A 21 -7.943 -3.222 -5.939 1.00 11.00 H new ATOM 0 HB3 ASP A 21 -6.854 -3.701 -7.225 1.00 11.00 H new ATOM 339 N THR A 22 -5.942 -6.138 -6.074 1.00 5.37 N ATOM 340 CA THR A 22 -4.981 -6.813 -5.259 1.00 6.01 C ATOM 341 C THR A 22 -3.946 -5.888 -4.718 1.00 8.01 C ATOM 342 O THR A 22 -3.966 -4.691 -5.004 1.00 8.11 O ATOM 343 CB THR A 22 -4.327 -7.922 -6.028 1.00 8.92 C ATOM 344 OG1 THR A 22 -3.479 -7.486 -7.081 1.00 10.22 O ATOM 345 CG2 THR A 22 -5.334 -8.917 -6.630 1.00 9.65 C ATOM 0 H THR A 22 -5.597 -5.887 -7.000 1.00 5.37 H new ATOM 0 HA THR A 22 -5.522 -7.230 -4.410 1.00 6.01 H new ATOM 0 HB THR A 22 -3.721 -8.413 -5.267 1.00 8.92 H new ATOM 0 HG1 THR A 22 -3.922 -6.771 -7.583 1.00 10.22 H new ATOM 0 HG21 THR A 22 -4.797 -9.694 -7.173 1.00 9.65 H new ATOM 0 HG22 THR A 22 -5.919 -9.371 -5.830 1.00 9.65 H new ATOM 0 HG23 THR A 22 -6.001 -8.391 -7.313 1.00 9.65 H new ATOM 353 N ILE A 23 -3.015 -6.329 -3.853 1.00 8.32 N ATOM 354 CA ILE A 23 -1.959 -5.505 -3.353 1.00 9.92 C ATOM 355 C ILE A 23 -1.003 -5.073 -4.411 1.00 10.01 C ATOM 356 O ILE A 23 -0.441 -3.979 -4.417 1.00 8.71 O ATOM 357 CB ILE A 23 -1.181 -6.326 -2.367 1.00 10.78 C ATOM 358 CG1 ILE A 23 -2.038 -6.887 -1.220 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.004 -5.510 -1.822 1.00 10.90 C ATOM 360 CD1 ILE A 23 -2.984 -5.901 -0.536 1.00 12.30 C ATOM 0 H ILE A 23 -2.996 -7.283 -3.492 1.00 8.32 H new ATOM 0 HA ILE A 23 -2.411 -4.612 -2.921 1.00 9.92 H new ATOM 0 HB ILE A 23 -0.808 -7.196 -2.908 1.00 10.78 H new ATOM 0 HG12 ILE A 23 -2.630 -7.715 -1.609 1.00 11.38 H new ATOM 0 HG13 ILE A 23 -1.370 -7.300 -0.464 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.563 -6.114 -1.107 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.658 -5.224 -2.646 1.00 10.90 H new ATOM 0 HG23 ILE A 23 -0.369 -4.613 -1.327 1.00 10.90 H new ATOM 0 HD11 ILE A 23 -3.533 -6.413 0.254 1.00 12.30 H new ATOM 0 HD12 ILE A 23 -2.407 -5.082 -0.106 1.00 12.30 H new ATOM 0 HD13 ILE A 23 -3.687 -5.504 -1.268 1.00 12.30 H new ATOM 372 N GLU A 24 -0.945 -5.900 -5.470 1.00 9.54 N ATOM 373 CA GLU A 24 -0.170 -5.501 -6.603 1.00 11.81 C ATOM 374 C GLU A 24 -0.621 -4.301 -7.364 1.00 11.14 C ATOM 375 O GLU A 24 0.205 -3.554 -7.887 1.00 10.62 O ATOM 376 CB GLU A 24 -0.018 -6.736 -7.507 1.00 19.24 C ATOM 377 CG GLU A 24 0.981 -6.459 -8.632 1.00 27.76 C ATOM 378 CD GLU A 24 1.187 -7.681 -9.516 1.00 32.92 C ATOM 379 OE1 GLU A 24 1.735 -8.748 -9.130 1.00 36.51 O ATOM 380 OE2 GLU A 24 0.826 -7.516 -10.712 1.00 34.80 O ATOM 0 H GLU A 24 -1.411 -6.804 -5.544 1.00 9.54 H new ATOM 0 HA GLU A 24 0.784 -5.147 -6.212 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.319 -7.587 -6.915 1.00 19.24 H new ATOM 0 HB3 GLU A 24 -0.986 -7.005 -7.930 1.00 19.24 H new ATOM 0 HG2 GLU A 24 0.624 -5.627 -9.239 1.00 27.76 H new ATOM 0 HG3 GLU A 24 1.936 -6.155 -8.204 1.00 27.76 H new ATOM 387 N ASN A 25 -1.943 -4.115 -7.526 1.00 9.43 N ATOM 388 CA ASN A 25 -2.504 -2.959 -8.153 1.00 10.96 C ATOM 389 C ASN A 25 -2.229 -1.679 -7.441 1.00 9.68 C ATOM 390 O ASN A 25 -1.965 -0.690 -8.122 1.00 9.33 O ATOM 391 CB ASN A 25 -4.016 -3.185 -8.320 1.00 16.78 C ATOM 392 CG ASN A 25 -4.249 -4.479 -9.087 1.00 22.31 C ATOM 393 OD1 ASN A 25 -4.640 -5.444 -8.432 1.00 25.66 O ATOM 394 ND2 ASN A 25 -3.953 -4.617 -10.407 1.00 24.70 N ATOM 0 H ASN A 25 -2.642 -4.788 -7.212 1.00 9.43 H new ATOM 0 HA ASN A 25 -2.017 -2.843 -9.121 1.00 10.96 H new ATOM 0 HB2 ASN A 25 -4.498 -3.236 -7.344 1.00 16.78 H new ATOM 0 HB3 ASN A 25 -4.464 -2.347 -8.854 1.00 16.78 H new ATOM 0 HD21 ASN A 25 -4.055 -5.525 -10.860 1.00 24.70 H new ATOM 0 HD22 ASN A 25 -3.629 -3.812 -10.944 1.00 24.70 H new ATOM 401 N VAL A 26 -2.355 -1.673 -6.102 1.00 6.52 N ATOM 402 CA VAL A 26 -2.068 -0.574 -5.234 1.00 5.53 C ATOM 403 C VAL A 26 -0.670 -0.138 -5.510 1.00 4.42 C ATOM 404 O VAL A 26 -0.349 1.047 -5.577 1.00 3.40 O ATOM 405 CB VAL A 26 -2.283 -0.935 -3.794 1.00 3.86 C ATOM 406 CG1 VAL A 26 -1.739 0.162 -2.862 1.00 7.25 C ATOM 407 CG2 VAL A 26 -3.756 -1.264 -3.498 1.00 8.12 C ATOM 0 H VAL A 26 -2.680 -2.494 -5.592 1.00 6.52 H new ATOM 0 HA VAL A 26 -2.752 0.252 -5.427 1.00 5.53 H new ATOM 0 HB VAL A 26 -1.716 -1.845 -3.595 1.00 3.86 H new ATOM 0 HG11 VAL A 26 -1.908 -0.125 -1.824 1.00 7.25 H new ATOM 0 HG12 VAL A 26 -0.670 0.289 -3.034 1.00 7.25 H new ATOM 0 HG13 VAL A 26 -2.253 1.101 -3.067 1.00 7.25 H new ATOM 0 HG21 VAL A 26 -3.867 -1.520 -2.444 1.00 8.12 H new ATOM 0 HG22 VAL A 26 -4.376 -0.397 -3.728 1.00 8.12 H new ATOM 0 HG23 VAL A 26 -4.071 -2.108 -4.111 1.00 8.12 H new ATOM 417 N LYS A 27 0.232 -1.103 -5.763 1.00 2.64 N ATOM 418 CA LYS A 27 1.621 -0.864 -6.004 1.00 4.14 C ATOM 419 C LYS A 27 1.895 -0.322 -7.365 1.00 5.58 C ATOM 420 O LYS A 27 2.913 0.318 -7.627 1.00 4.11 O ATOM 421 CB LYS A 27 2.494 -2.100 -5.731 1.00 3.97 C ATOM 422 CG LYS A 27 2.370 -2.597 -4.289 1.00 7.45 C ATOM 423 CD LYS A 27 2.971 -3.993 -4.111 1.00 9.02 C ATOM 424 CE LYS A 27 4.491 -4.139 -4.208 1.00 12.90 C ATOM 425 NZ LYS A 27 5.019 -5.518 -4.108 1.00 15.47 N ATOM 0 H LYS A 27 -0.017 -2.091 -5.801 1.00 2.64 H new ATOM 0 HA LYS A 27 1.900 -0.094 -5.285 1.00 4.14 H new ATOM 0 HB2 LYS A 27 2.209 -2.900 -6.414 1.00 3.97 H new ATOM 0 HB3 LYS A 27 3.536 -1.858 -5.941 1.00 3.97 H new ATOM 0 HG2 LYS A 27 2.872 -1.898 -3.620 1.00 7.45 H new ATOM 0 HG3 LYS A 27 1.319 -2.615 -4.001 1.00 7.45 H new ATOM 0 HD2 LYS A 27 2.661 -4.368 -3.135 1.00 9.02 H new ATOM 0 HD3 LYS A 27 2.524 -4.647 -4.860 1.00 9.02 H new ATOM 0 HE2 LYS A 27 4.817 -3.715 -5.158 1.00 12.90 H new ATOM 0 HE3 LYS A 27 4.945 -3.540 -3.419 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 5.955 -5.565 -4.558 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 5.102 -5.786 -3.107 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 4.371 -6.174 -4.589 1.00 15.47 H new ATOM 439 N ALA A 28 1.047 -0.597 -8.371 1.00 6.61 N ATOM 440 CA ALA A 28 1.206 -0.101 -9.703 1.00 7.74 C ATOM 441 C ALA A 28 0.938 1.365 -9.712 1.00 9.17 C ATOM 442 O ALA A 28 1.623 2.110 -10.410 1.00 11.45 O ATOM 443 CB ALA A 28 0.200 -0.833 -10.608 1.00 7.68 C ATOM 0 H ALA A 28 0.222 -1.185 -8.254 1.00 6.61 H new ATOM 0 HA ALA A 28 2.220 -0.274 -10.065 1.00 7.74 H new ATOM 0 HB1 ALA A 28 0.301 -0.472 -11.631 1.00 7.68 H new ATOM 0 HB2 ALA A 28 0.398 -1.904 -10.580 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.813 -0.642 -10.255 1.00 7.68 H new ATOM 449 N LYS A 29 -0.039 1.830 -8.914 1.00 8.96 N ATOM 450 CA LYS A 29 -0.552 3.153 -8.739 1.00 7.90 C ATOM 451 C LYS A 29 0.361 4.076 -8.009 1.00 6.92 C ATOM 452 O LYS A 29 0.615 5.203 -8.432 1.00 6.87 O ATOM 453 CB LYS A 29 -1.885 3.041 -7.981 1.00 10.28 C ATOM 454 CG LYS A 29 -2.948 2.261 -8.756 1.00 14.94 C ATOM 455 CD LYS A 29 -4.359 2.263 -8.165 1.00 19.69 C ATOM 456 CE LYS A 29 -5.180 1.105 -8.738 1.00 22.63 C ATOM 457 NZ LYS A 29 -5.616 1.390 -10.123 1.00 24.98 N ATOM 0 H LYS A 29 -0.537 1.179 -8.307 1.00 8.96 H new ATOM 0 HA LYS A 29 -0.673 3.589 -9.731 1.00 7.90 H new ATOM 0 HB2 LYS A 29 -1.712 2.553 -7.022 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -2.260 4.042 -7.767 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -3.000 2.666 -9.766 1.00 14.94 H new ATOM 0 HG3 LYS A 29 -2.616 1.227 -8.844 1.00 14.94 H new ATOM 0 HD2 LYS A 29 -4.306 2.177 -7.080 1.00 19.69 H new ATOM 0 HD3 LYS A 29 -4.851 3.210 -8.386 1.00 19.69 H new ATOM 0 HE2 LYS A 29 -4.585 0.192 -8.722 1.00 22.63 H new ATOM 0 HE3 LYS A 29 -6.052 0.928 -8.109 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 -6.170 0.588 -10.485 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 -6.203 2.248 -10.132 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 -4.782 1.535 -10.727 1.00 24.98 H new ATOM 471 N ILE A 30 0.987 3.596 -6.919 1.00 4.57 N ATOM 472 CA ILE A 30 2.111 4.288 -6.368 1.00 5.58 C ATOM 473 C ILE A 30 3.258 4.570 -7.276 1.00 7.26 C ATOM 474 O ILE A 30 3.905 5.610 -7.384 1.00 9.46 O ATOM 475 CB ILE A 30 2.495 3.666 -5.059 1.00 5.36 C ATOM 476 CG1 ILE A 30 1.370 3.782 -4.017 1.00 2.94 C ATOM 477 CG2 ILE A 30 3.663 4.483 -4.482 1.00 2.78 C ATOM 478 CD1 ILE A 30 1.608 2.888 -2.800 1.00 2.00 C ATOM 0 H ILE A 30 0.721 2.744 -6.426 1.00 4.57 H new ATOM 0 HA ILE A 30 1.766 5.307 -6.193 1.00 5.58 H new ATOM 0 HB ILE A 30 2.729 2.618 -5.243 1.00 5.36 H new ATOM 0 HG12 ILE A 30 1.285 4.819 -3.692 1.00 2.94 H new ATOM 0 HG13 ILE A 30 0.420 3.515 -4.480 1.00 2.94 H new ATOM 0 HG21 ILE A 30 3.968 4.056 -3.527 1.00 2.78 H new ATOM 0 HG22 ILE A 30 4.503 4.457 -5.176 1.00 2.78 H new ATOM 0 HG23 ILE A 30 3.347 5.515 -4.334 1.00 2.78 H new ATOM 0 HD11 ILE A 30 0.786 3.007 -2.095 1.00 2.00 H new ATOM 0 HD12 ILE A 30 1.665 1.847 -3.119 1.00 2.00 H new ATOM 0 HD13 ILE A 30 2.543 3.171 -2.318 1.00 2.00 H new ATOM 490 N GLN A 31 3.667 3.655 -8.173 1.00 7.06 N ATOM 491 CA GLN A 31 4.719 3.768 -9.135 1.00 8.67 C ATOM 492 C GLN A 31 4.505 4.822 -10.167 1.00 10.90 C ATOM 493 O GLN A 31 5.378 5.638 -10.458 1.00 9.63 O ATOM 494 CB GLN A 31 5.060 2.503 -9.941 1.00 9.12 C ATOM 495 CG GLN A 31 6.091 2.623 -11.066 1.00 10.76 C ATOM 496 CD GLN A 31 6.785 1.344 -11.514 1.00 13.78 C ATOM 497 OE1 GLN A 31 7.988 1.167 -11.331 1.00 14.48 O ATOM 498 NE2 GLN A 31 6.011 0.512 -12.261 1.00 14.76 N ATOM 0 H GLN A 31 3.212 2.744 -8.228 1.00 7.06 H new ATOM 0 HA GLN A 31 5.538 4.010 -8.458 1.00 8.67 H new ATOM 0 HB2 GLN A 31 5.416 1.747 -9.241 1.00 9.12 H new ATOM 0 HB3 GLN A 31 4.135 2.124 -10.375 1.00 9.12 H new ATOM 0 HG2 GLN A 31 5.595 3.060 -11.933 1.00 10.76 H new ATOM 0 HG3 GLN A 31 6.858 3.329 -10.748 1.00 10.76 H new ATOM 0 HE21 GLN A 31 5.017 0.709 -12.379 1.00 14.76 H new ATOM 0 HE22 GLN A 31 6.424 -0.309 -12.704 1.00 14.76 H new ATOM 507 N ASP A 32 3.285 4.914 -10.727 1.00 10.93 N ATOM 508 CA ASP A 32 2.846 5.998 -11.550 1.00 14.01 C ATOM 509 C ASP A 32 2.763 7.358 -10.946 1.00 14.04 C ATOM 510 O ASP A 32 3.149 8.383 -11.506 1.00 13.39 O ATOM 511 CB ASP A 32 1.451 5.595 -12.058 1.00 18.01 C ATOM 512 CG ASP A 32 1.129 6.256 -13.391 1.00 24.33 C ATOM 513 OD1 ASP A 32 2.005 6.173 -14.293 1.00 25.17 O ATOM 514 OD2 ASP A 32 0.000 6.786 -13.568 1.00 26.29 O ATOM 0 H ASP A 32 2.570 4.197 -10.599 1.00 10.93 H new ATOM 0 HA ASP A 32 3.615 6.124 -12.313 1.00 14.01 H new ATOM 0 HB2 ASP A 32 1.401 4.512 -12.167 1.00 18.01 H new ATOM 0 HB3 ASP A 32 0.699 5.876 -11.321 1.00 18.01 H new ATOM 519 N LYS A 33 2.078 7.415 -9.790 1.00 14.22 N ATOM 520 CA LYS A 33 1.769 8.591 -9.036 1.00 14.00 C ATOM 521 C LYS A 33 2.934 9.280 -8.412 1.00 12.37 C ATOM 522 O LYS A 33 3.265 10.414 -8.753 1.00 12.17 O ATOM 523 CB LYS A 33 0.611 8.182 -8.110 1.00 18.62 C ATOM 524 CG LYS A 33 -0.003 9.457 -7.527 1.00 24.00 C ATOM 525 CD LYS A 33 -1.086 9.182 -6.481 1.00 27.61 C ATOM 526 CE LYS A 33 -2.252 10.172 -6.488 1.00 27.64 C ATOM 527 NZ LYS A 33 -3.158 9.899 -7.626 1.00 30.06 N ATOM 0 H LYS A 33 1.712 6.571 -9.349 1.00 14.22 H new ATOM 0 HA LYS A 33 1.449 9.409 -9.682 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -0.139 7.617 -8.664 1.00 18.62 H new ATOM 0 HB3 LYS A 33 0.972 7.534 -7.312 1.00 18.62 H new ATOM 0 HG2 LYS A 33 0.786 10.058 -7.074 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -0.431 10.049 -8.336 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.479 8.178 -6.641 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -0.627 9.190 -5.492 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -2.804 10.099 -5.551 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -1.871 11.191 -6.555 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -3.944 10.580 -7.615 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -2.632 9.991 -8.518 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -3.536 8.933 -7.545 1.00 30.06 H new ATOM 541 N GLU A 34 3.698 8.537 -7.592 1.00 10.11 N ATOM 542 CA GLU A 34 4.787 9.020 -6.801 1.00 10.07 C ATOM 543 C GLU A 34 6.122 8.783 -7.419 1.00 9.32 C ATOM 544 O GLU A 34 7.073 9.473 -7.055 1.00 11.61 O ATOM 545 CB GLU A 34 4.779 8.380 -5.402 1.00 14.77 C ATOM 546 CG GLU A 34 3.603 8.890 -4.568 1.00 18.75 C ATOM 547 CD GLU A 34 3.558 10.356 -4.160 1.00 22.28 C ATOM 548 OE1 GLU A 34 4.437 10.840 -3.398 1.00 25.19 O ATOM 549 OE2 GLU A 34 2.624 11.062 -4.625 1.00 21.95 O ATOM 0 H GLU A 34 3.545 7.535 -7.474 1.00 10.11 H new ATOM 0 HA GLU A 34 4.635 10.097 -6.732 1.00 10.07 H new ATOM 0 HB2 GLU A 34 4.719 7.296 -5.495 1.00 14.77 H new ATOM 0 HB3 GLU A 34 5.715 8.605 -4.891 1.00 14.77 H new ATOM 0 HG2 GLU A 34 2.690 8.677 -5.124 1.00 18.75 H new ATOM 0 HG3 GLU A 34 3.566 8.295 -3.655 1.00 18.75 H new ATOM 556 N GLY A 35 6.258 7.803 -8.329 1.00 7.22 N ATOM 557 CA GLY A 35 7.516 7.513 -8.945 1.00 6.29 C ATOM 558 C GLY A 35 8.372 6.501 -8.263 1.00 6.93 C ATOM 559 O GLY A 35 9.602 6.504 -8.237 1.00 7.41 O ATOM 0 H GLY A 35 5.491 7.207 -8.640 1.00 7.22 H new ATOM 0 HA2 GLY A 35 7.327 7.170 -9.962 1.00 6.29 H new ATOM 0 HA3 GLY A 35 8.081 8.442 -9.021 1.00 6.29 H new ATOM 563 N ILE A 36 7.777 5.607 -7.454 1.00 5.86 N ATOM 564 CA ILE A 36 8.395 4.698 -6.539 1.00 6.07 C ATOM 565 C ILE A 36 8.344 3.383 -7.239 1.00 6.36 C ATOM 566 O ILE A 36 7.222 2.916 -7.431 1.00 6.18 O ATOM 567 CB ILE A 36 7.880 4.637 -5.132 1.00 7.47 C ATOM 568 CG1 ILE A 36 7.912 5.990 -4.399 1.00 8.52 C ATOM 569 CG2 ILE A 36 8.611 3.558 -4.315 1.00 7.36 C ATOM 570 CD1 ILE A 36 6.912 6.071 -3.247 1.00 9.49 C ATOM 0 H ILE A 36 6.761 5.513 -7.441 1.00 5.86 H new ATOM 0 HA ILE A 36 9.402 5.055 -6.326 1.00 6.07 H new ATOM 0 HB ILE A 36 6.828 4.364 -5.219 1.00 7.47 H new ATOM 0 HG12 ILE A 36 8.917 6.164 -4.013 1.00 8.52 H new ATOM 0 HG13 ILE A 36 7.702 6.788 -5.112 1.00 8.52 H new ATOM 0 HG21 ILE A 36 8.214 3.539 -3.300 1.00 7.36 H new ATOM 0 HG22 ILE A 36 8.461 2.584 -4.781 1.00 7.36 H new ATOM 0 HG23 ILE A 36 9.677 3.785 -4.284 1.00 7.36 H new ATOM 0 HD11 ILE A 36 6.984 7.049 -2.771 1.00 9.49 H new ATOM 0 HD12 ILE A 36 5.902 5.928 -3.631 1.00 9.49 H new ATOM 0 HD13 ILE A 36 7.136 5.294 -2.516 1.00 9.49 H new ATOM 582 N PRO A 37 9.356 2.639 -7.572 1.00 8.65 N ATOM 583 CA PRO A 37 9.164 1.324 -8.112 1.00 9.18 C ATOM 584 C PRO A 37 8.579 0.300 -7.203 1.00 9.85 C ATOM 585 O PRO A 37 8.813 0.486 -6.010 1.00 8.51 O ATOM 586 CB PRO A 37 10.524 0.831 -8.602 1.00 11.42 C ATOM 587 CG PRO A 37 11.222 2.164 -8.914 1.00 9.27 C ATOM 588 CD PRO A 37 10.722 3.089 -7.793 1.00 8.33 C ATOM 0 HA PRO A 37 8.418 1.435 -8.899 1.00 9.18 H new ATOM 0 HB2 PRO A 37 11.053 0.256 -7.842 1.00 11.42 H new ATOM 0 HB3 PRO A 37 10.439 0.194 -9.482 1.00 11.42 H new ATOM 0 HG2 PRO A 37 12.307 2.064 -8.900 1.00 9.27 H new ATOM 0 HG3 PRO A 37 10.949 2.541 -9.900 1.00 9.27 H new ATOM 0 HD2 PRO A 37 11.328 2.993 -6.892 1.00 8.33 H new ATOM 0 HD3 PRO A 37 10.757 4.137 -8.091 1.00 8.33 H new ATOM 596 N PRO A 38 7.856 -0.683 -7.652 1.00 8.71 N ATOM 597 CA PRO A 38 7.103 -1.466 -6.716 1.00 9.08 C ATOM 598 C PRO A 38 7.868 -2.587 -6.101 1.00 9.28 C ATOM 599 O PRO A 38 7.329 -3.131 -5.139 1.00 6.50 O ATOM 600 CB PRO A 38 5.944 -2.084 -7.495 1.00 10.31 C ATOM 601 CG PRO A 38 6.504 -2.163 -8.924 1.00 10.81 C ATOM 602 CD PRO A 38 7.367 -0.894 -9.006 1.00 12.00 C ATOM 0 HA PRO A 38 6.800 -0.805 -5.904 1.00 9.08 H new ATOM 0 HB2 PRO A 38 5.676 -3.068 -7.110 1.00 10.31 H new ATOM 0 HB3 PRO A 38 5.047 -1.467 -7.445 1.00 10.31 H new ATOM 0 HG2 PRO A 38 7.093 -3.067 -9.081 1.00 10.81 H new ATOM 0 HG3 PRO A 38 5.711 -2.165 -9.672 1.00 10.81 H new ATOM 0 HD2 PRO A 38 8.191 -1.022 -9.708 1.00 12.00 H new ATOM 0 HD3 PRO A 38 6.783 -0.041 -9.352 1.00 12.00 H new ATOM 610 N ASP A 39 9.124 -2.874 -6.489 1.00 11.20 N ATOM 611 CA ASP A 39 10.020 -3.727 -5.772 1.00 14.96 C ATOM 612 C ASP A 39 10.462 -3.068 -4.511 1.00 13.99 C ATOM 613 O ASP A 39 10.599 -3.750 -3.496 1.00 13.75 O ATOM 614 CB ASP A 39 11.127 -4.227 -6.715 1.00 24.16 C ATOM 615 CG ASP A 39 12.132 -3.207 -7.231 1.00 31.06 C ATOM 616 OD1 ASP A 39 11.703 -2.060 -7.529 1.00 34.22 O ATOM 617 OD2 ASP A 39 13.359 -3.441 -7.064 1.00 35.55 O ATOM 0 H ASP A 39 9.533 -2.493 -7.342 1.00 11.20 H new ATOM 0 HA ASP A 39 9.524 -4.635 -5.431 1.00 14.96 H new ATOM 0 HB2 ASP A 39 11.680 -5.010 -6.197 1.00 24.16 H new ATOM 0 HB3 ASP A 39 10.648 -4.692 -7.577 1.00 24.16 H new ATOM 622 N GLN A 40 10.666 -1.738 -4.511 1.00 11.60 N ATOM 623 CA GLN A 40 11.091 -0.912 -3.425 1.00 10.76 C ATOM 624 C GLN A 40 10.050 -0.765 -2.369 1.00 8.01 C ATOM 625 O GLN A 40 10.437 -0.538 -1.223 1.00 8.96 O ATOM 626 CB GLN A 40 11.543 0.505 -3.818 1.00 11.14 C ATOM 627 CG GLN A 40 12.732 0.566 -4.778 1.00 14.85 C ATOM 628 CD GLN A 40 13.124 2.029 -4.931 1.00 16.11 C ATOM 629 OE1 GLN A 40 12.790 2.895 -4.125 1.00 20.52 O ATOM 630 NE2 GLN A 40 13.946 2.267 -5.989 1.00 18.16 N ATOM 0 H GLN A 40 10.517 -1.190 -5.358 1.00 11.60 H new ATOM 0 HA GLN A 40 11.956 -1.456 -3.047 1.00 10.76 H new ATOM 0 HB2 GLN A 40 10.701 1.024 -4.275 1.00 11.14 H new ATOM 0 HB3 GLN A 40 11.800 1.052 -2.911 1.00 11.14 H new ATOM 0 HG2 GLN A 40 13.568 -0.016 -4.390 1.00 14.85 H new ATOM 0 HG3 GLN A 40 12.467 0.137 -5.744 1.00 14.85 H new ATOM 0 HE21 GLN A 40 14.190 1.509 -6.626 1.00 18.16 H new ATOM 0 HE22 GLN A 40 14.319 3.204 -6.145 1.00 18.16 H new ATOM 639 N GLN A 41 8.764 -0.861 -2.748 1.00 6.52 N ATOM 640 CA GLN A 41 7.640 -0.783 -1.867 1.00 3.87 C ATOM 641 C GLN A 41 7.264 -2.043 -1.166 1.00 4.79 C ATOM 642 O GLN A 41 7.148 -3.154 -1.680 1.00 6.34 O ATOM 643 CB GLN A 41 6.364 -0.311 -2.583 1.00 4.20 C ATOM 644 CG GLN A 41 6.495 0.864 -3.555 1.00 3.20 C ATOM 645 CD GLN A 41 5.154 1.078 -4.242 1.00 4.89 C ATOM 646 OE1 GLN A 41 4.073 0.622 -3.872 1.00 5.21 O ATOM 647 NE2 GLN A 41 5.321 1.776 -5.397 1.00 7.13 N ATOM 0 H GLN A 41 8.494 -1.001 -3.722 1.00 6.52 H new ATOM 0 HA GLN A 41 7.998 -0.066 -1.128 1.00 3.87 H new ATOM 0 HB2 GLN A 41 5.953 -1.158 -3.132 1.00 4.20 H new ATOM 0 HB3 GLN A 41 5.632 -0.039 -1.822 1.00 4.20 H new ATOM 0 HG2 GLN A 41 6.794 1.766 -3.020 1.00 3.20 H new ATOM 0 HG3 GLN A 41 7.270 0.659 -4.294 1.00 3.20 H new ATOM 0 HE21 GLN A 41 6.244 2.130 -5.650 1.00 7.13 H new ATOM 0 HE22 GLN A 41 4.524 1.946 -6.010 1.00 7.13 H new ATOM 656 N ARG A 42 7.102 -1.846 0.155 1.00 5.73 N ATOM 657 CA ARG A 42 6.561 -2.815 1.056 1.00 6.97 C ATOM 658 C ARG A 42 5.388 -2.120 1.659 1.00 7.15 C ATOM 659 O ARG A 42 5.503 -0.922 1.914 1.00 7.33 O ATOM 660 CB ARG A 42 7.609 -3.411 2.011 1.00 13.23 C ATOM 661 CG ARG A 42 7.109 -4.479 2.986 1.00 21.27 C ATOM 662 CD ARG A 42 7.994 -4.657 4.222 1.00 26.14 C ATOM 663 NE ARG A 42 9.377 -4.951 3.751 1.00 32.26 N ATOM 664 CZ ARG A 42 10.339 -5.452 4.580 1.00 34.32 C ATOM 665 NH1 ARG A 42 10.188 -5.310 5.929 1.00 35.30 N ATOM 666 NH2 ARG A 42 11.509 -6.008 4.147 1.00 36.39 N ATOM 0 H ARG A 42 7.360 -0.973 0.615 1.00 5.73 H new ATOM 0 HA ARG A 42 6.229 -3.735 0.575 1.00 6.97 H new ATOM 0 HB2 ARG A 42 8.411 -3.843 1.412 1.00 13.23 H new ATOM 0 HB3 ARG A 42 8.046 -2.597 2.590 1.00 13.23 H new ATOM 0 HG2 ARG A 42 6.101 -4.219 3.308 1.00 21.27 H new ATOM 0 HG3 ARG A 42 7.040 -5.432 2.461 1.00 21.27 H new ATOM 0 HD2 ARG A 42 7.982 -3.755 4.834 1.00 26.14 H new ATOM 0 HD3 ARG A 42 7.621 -5.470 4.845 1.00 26.14 H new ATOM 0 HE ARG A 42 9.613 -4.772 2.775 1.00 32.26 H new ATOM 0 HH11 ARG A 42 9.366 -4.836 6.303 1.00 35.30 H new ATOM 0 HH12 ARG A 42 10.897 -5.678 6.563 1.00 35.30 H new ATOM 0 HH21 ARG A 42 11.706 -6.068 3.148 1.00 36.39 H new ATOM 0 HH22 ARG A 42 12.185 -6.364 4.823 1.00 36.39 H new ATOM 680 N LEU A 43 4.241 -2.812 1.776 1.00 4.65 N ATOM 681 CA LEU A 43 3.067 -2.251 2.369 1.00 3.51 C ATOM 682 C LEU A 43 2.756 -2.967 3.639 1.00 5.56 C ATOM 683 O LEU A 43 2.864 -4.191 3.684 1.00 4.19 O ATOM 684 CB LEU A 43 1.853 -2.291 1.426 1.00 3.74 C ATOM 685 CG LEU A 43 2.015 -1.347 0.223 1.00 6.32 C ATOM 686 CD1 LEU A 43 1.065 -1.691 -0.937 1.00 6.41 C ATOM 687 CD2 LEU A 43 1.626 0.032 0.781 1.00 9.55 C ATOM 0 H LEU A 43 4.127 -3.773 1.455 1.00 4.65 H new ATOM 0 HA LEU A 43 3.274 -1.201 2.575 1.00 3.51 H new ATOM 0 HB2 LEU A 43 1.708 -3.310 1.068 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.956 -2.017 1.981 1.00 3.74 H new ATOM 0 HG LEU A 43 3.025 -1.408 -0.182 1.00 6.32 H new ATOM 0 HD11 LEU A 43 1.225 -0.991 -1.758 1.00 6.41 H new ATOM 0 HD12 LEU A 43 1.264 -2.706 -1.281 1.00 6.41 H new ATOM 0 HD13 LEU A 43 0.032 -1.620 -0.595 1.00 6.41 H new ATOM 0 HD21 LEU A 43 1.710 0.780 -0.007 1.00 9.55 H new ATOM 0 HD22 LEU A 43 0.599 0.001 1.144 1.00 9.55 H new ATOM 0 HD23 LEU A 43 2.293 0.294 1.602 1.00 9.55 H new ATOM 699 N ILE A 44 2.386 -2.218 4.692 1.00 4.58 N ATOM 700 CA ILE A 44 1.899 -2.906 5.848 1.00 5.55 C ATOM 701 C ILE A 44 0.534 -2.433 6.212 1.00 5.46 C ATOM 702 O ILE A 44 0.013 -1.515 5.581 1.00 6.04 O ATOM 703 CB ILE A 44 2.680 -2.824 7.126 1.00 6.80 C ATOM 704 CG1 ILE A 44 2.956 -1.427 7.707 1.00 10.31 C ATOM 705 CG2 ILE A 44 4.055 -3.496 6.976 1.00 7.39 C ATOM 706 CD1 ILE A 44 3.612 -1.344 9.084 1.00 13.90 C ATOM 0 H ILE A 44 2.418 -1.200 4.748 1.00 4.58 H new ATOM 0 HA ILE A 44 1.966 -3.937 5.500 1.00 5.55 H new ATOM 0 HB ILE A 44 2.009 -3.330 7.820 1.00 6.80 H new ATOM 0 HG12 ILE A 44 3.590 -0.890 7.001 1.00 10.31 H new ATOM 0 HG13 ILE A 44 2.008 -0.891 7.755 1.00 10.31 H new ATOM 0 HG21 ILE A 44 4.601 -3.422 7.917 1.00 7.39 H new ATOM 0 HG22 ILE A 44 3.920 -4.546 6.716 1.00 7.39 H new ATOM 0 HG23 ILE A 44 4.620 -2.997 6.189 1.00 7.39 H new ATOM 0 HD11 ILE A 44 3.744 -0.298 9.362 1.00 13.90 H new ATOM 0 HD12 ILE A 44 2.977 -1.838 9.820 1.00 13.90 H new ATOM 0 HD13 ILE A 44 4.584 -1.837 9.054 1.00 13.90 H new ATOM 718 N PHE A 45 -0.154 -3.124 7.139 1.00 6.75 N ATOM 719 CA PHE A 45 -1.252 -2.459 7.769 1.00 4.70 C ATOM 720 C PHE A 45 -0.686 -1.685 8.909 1.00 6.34 C ATOM 721 O PHE A 45 -0.367 -0.509 8.741 1.00 5.45 O ATOM 722 CB PHE A 45 -2.279 -3.541 8.145 1.00 5.51 C ATOM 723 CG PHE A 45 -3.676 -3.066 8.353 1.00 5.98 C ATOM 724 CD1 PHE A 45 -4.488 -2.960 7.248 1.00 5.87 C ATOM 725 CD2 PHE A 45 -4.147 -2.791 9.615 1.00 6.86 C ATOM 726 CE1 PHE A 45 -5.774 -2.499 7.401 1.00 6.64 C ATOM 727 CE2 PHE A 45 -5.416 -2.273 9.723 1.00 6.68 C ATOM 728 CZ PHE A 45 -6.270 -2.196 8.647 1.00 6.84 C ATOM 0 H PHE A 45 0.032 -4.081 7.439 1.00 6.75 H new ATOM 0 HA PHE A 45 -1.782 -1.743 7.141 1.00 4.70 H new ATOM 0 HB2 PHE A 45 -2.286 -4.297 7.360 1.00 5.51 H new ATOM 0 HB3 PHE A 45 -1.943 -4.032 9.058 1.00 5.51 H new ATOM 0 HD1 PHE A 45 -4.119 -3.236 6.271 1.00 5.87 H new ATOM 0 HD2 PHE A 45 -3.542 -2.975 10.490 1.00 6.86 H new ATOM 0 HE1 PHE A 45 -6.402 -2.373 6.532 1.00 6.64 H new ATOM 0 HE2 PHE A 45 -5.754 -1.915 10.684 1.00 6.68 H new ATOM 0 HZ PHE A 45 -7.302 -1.905 8.778 1.00 6.84 H new ATOM 738 N ALA A 46 -0.632 -2.330 10.088 1.00 6.53 N ATOM 739 CA ALA A 46 0.051 -1.774 11.215 1.00 7.15 C ATOM 740 C ALA A 46 1.289 -2.483 11.644 1.00 9.00 C ATOM 741 O ALA A 46 2.120 -1.970 12.393 1.00 11.15 O ATOM 742 CB ALA A 46 -0.846 -1.936 12.454 1.00 8.99 C ATOM 0 H ALA A 46 -1.062 -3.238 10.261 1.00 6.53 H new ATOM 0 HA ALA A 46 0.291 -0.760 10.896 1.00 7.15 H new ATOM 0 HB1 ALA A 46 -0.342 -1.518 13.325 1.00 8.99 H new ATOM 0 HB2 ALA A 46 -1.788 -1.411 12.293 1.00 8.99 H new ATOM 0 HB3 ALA A 46 -1.045 -2.994 12.623 1.00 8.99 H new ATOM 748 N GLY A 47 1.521 -3.736 11.215 1.00 9.35 N ATOM 749 CA GLY A 47 2.740 -4.453 11.428 1.00 11.68 C ATOM 750 C GLY A 47 2.938 -5.666 10.586 1.00 11.14 C ATOM 751 O GLY A 47 4.064 -6.012 10.235 1.00 13.93 O ATOM 0 H GLY A 47 0.827 -4.274 10.696 1.00 9.35 H new ATOM 0 HA2 GLY A 47 3.574 -3.773 11.253 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.785 -4.750 12.476 1.00 11.68 H new ATOM 755 N LYS A 48 1.867 -6.394 10.221 1.00 10.47 N ATOM 756 CA LYS A 48 1.800 -7.518 9.340 1.00 8.82 C ATOM 757 C LYS A 48 1.877 -7.048 7.928 1.00 7.68 C ATOM 758 O LYS A 48 1.406 -6.034 7.416 1.00 6.47 O ATOM 759 CB LYS A 48 0.655 -8.522 9.555 1.00 9.74 C ATOM 760 CG LYS A 48 0.634 -9.098 10.973 1.00 14.14 C ATOM 761 CD LYS A 48 -0.470 -10.154 11.057 1.00 16.32 C ATOM 762 CE LYS A 48 -0.234 -11.303 12.039 1.00 20.04 C ATOM 763 NZ LYS A 48 0.895 -12.148 11.591 1.00 23.92 N ATOM 0 H LYS A 48 0.943 -6.165 10.588 1.00 10.47 H new ATOM 0 HA LYS A 48 2.670 -8.122 9.598 1.00 8.82 H new ATOM 0 HB2 LYS A 48 -0.297 -8.031 9.353 1.00 9.74 H new ATOM 0 HB3 LYS A 48 0.752 -9.337 8.837 1.00 9.74 H new ATOM 0 HG2 LYS A 48 1.600 -9.541 11.215 1.00 14.14 H new ATOM 0 HG3 LYS A 48 0.455 -8.306 11.700 1.00 14.14 H new ATOM 0 HD2 LYS A 48 -1.400 -9.656 11.330 1.00 16.32 H new ATOM 0 HD3 LYS A 48 -0.615 -10.577 10.063 1.00 16.32 H new ATOM 0 HE2 LYS A 48 -0.025 -10.903 13.031 1.00 20.04 H new ATOM 0 HE3 LYS A 48 -1.137 -11.908 12.123 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 0.913 -13.027 12.147 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 0.778 -12.378 10.584 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 1.789 -11.634 11.727 1.00 23.92 H new ATOM 777 N GLN A 49 2.700 -7.749 7.127 1.00 8.89 N ATOM 778 CA GLN A 49 2.961 -7.418 5.761 1.00 7.18 C ATOM 779 C GLN A 49 1.910 -7.737 4.754 1.00 8.23 C ATOM 780 O GLN A 49 1.126 -8.670 4.917 1.00 9.70 O ATOM 781 CB GLN A 49 4.211 -8.172 5.275 1.00 11.67 C ATOM 782 CG GLN A 49 5.327 -7.878 6.279 1.00 15.82 C ATOM 783 CD GLN A 49 6.585 -8.614 5.842 1.00 20.21 C ATOM 784 OE1 GLN A 49 7.614 -7.955 5.704 1.00 23.23 O ATOM 785 NE2 GLN A 49 6.522 -9.972 5.793 1.00 20.67 N ATOM 0 H GLN A 49 3.203 -8.578 7.444 1.00 8.89 H new ATOM 0 HA GLN A 49 3.049 -6.332 5.803 1.00 7.18 H new ATOM 0 HB2 GLN A 49 4.017 -9.243 5.216 1.00 11.67 H new ATOM 0 HB3 GLN A 49 4.495 -7.844 4.275 1.00 11.67 H new ATOM 0 HG2 GLN A 49 5.516 -6.806 6.331 1.00 15.82 H new ATOM 0 HG3 GLN A 49 5.030 -8.198 7.278 1.00 15.82 H new ATOM 0 HE21 GLN A 49 5.627 -10.446 5.917 1.00 20.67 H new ATOM 0 HE22 GLN A 49 7.369 -10.516 5.632 1.00 20.67 H new ATOM 794 N LEU A 50 1.832 -6.995 3.634 1.00 6.51 N ATOM 795 CA LEU A 50 0.736 -7.158 2.731 1.00 7.41 C ATOM 796 C LEU A 50 1.326 -7.605 1.438 1.00 8.27 C ATOM 797 O LEU A 50 2.093 -6.830 0.870 1.00 8.34 O ATOM 798 CB LEU A 50 0.112 -5.769 2.518 1.00 7.13 C ATOM 799 CG LEU A 50 -0.753 -5.264 3.685 1.00 7.53 C ATOM 800 CD1 LEU A 50 -1.275 -3.882 3.258 1.00 9.11 C ATOM 801 CD2 LEU A 50 -1.997 -6.133 3.935 1.00 8.14 C ATOM 0 H LEU A 50 2.517 -6.292 3.357 1.00 6.51 H new ATOM 0 HA LEU A 50 -0.009 -7.864 3.100 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.912 -5.050 2.340 1.00 7.13 H new ATOM 0 HB3 LEU A 50 -0.499 -5.795 1.616 1.00 7.13 H new ATOM 0 HG LEU A 50 -0.146 -5.269 4.590 1.00 7.53 H new ATOM 0 HD11 LEU A 50 -1.900 -3.469 4.050 1.00 9.11 H new ATOM 0 HD12 LEU A 50 -0.432 -3.215 3.075 1.00 9.11 H new ATOM 0 HD13 LEU A 50 -1.864 -3.981 2.346 1.00 9.11 H new ATOM 0 HD21 LEU A 50 -2.565 -5.724 4.771 1.00 8.14 H new ATOM 0 HD22 LEU A 50 -2.621 -6.141 3.041 1.00 8.14 H new ATOM 0 HD23 LEU A 50 -1.688 -7.151 4.170 1.00 8.14 H new ATOM 813 N GLU A 51 0.944 -8.821 1.006 1.00 9.43 N ATOM 814 CA GLU A 51 1.538 -9.395 -0.161 1.00 11.90 C ATOM 815 C GLU A 51 0.647 -9.444 -1.354 1.00 11.49 C ATOM 816 O GLU A 51 -0.583 -9.465 -1.350 1.00 9.88 O ATOM 817 CB GLU A 51 2.053 -10.816 0.124 1.00 16.56 C ATOM 818 CG GLU A 51 3.246 -10.784 1.081 1.00 26.06 C ATOM 819 CD GLU A 51 3.649 -12.155 1.606 1.00 29.86 C ATOM 820 OE1 GLU A 51 4.355 -12.850 0.828 1.00 32.13 O ATOM 821 OE2 GLU A 51 3.301 -12.559 2.747 1.00 33.44 O ATOM 0 H GLU A 51 0.235 -9.399 1.457 1.00 9.43 H new ATOM 0 HA GLU A 51 2.360 -8.722 -0.404 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.252 -11.417 0.555 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.344 -11.296 -0.810 1.00 16.56 H new ATOM 0 HG2 GLU A 51 4.098 -10.336 0.570 1.00 26.06 H new ATOM 0 HG3 GLU A 51 3.005 -10.138 1.925 1.00 26.06 H new ATOM 828 N ASP A 52 1.288 -9.396 -2.536 1.00 12.71 N ATOM 829 CA ASP A 52 0.887 -9.175 -3.890 1.00 16.56 C ATOM 830 C ASP A 52 -0.432 -9.777 -4.233 1.00 15.83 C ATOM 831 O ASP A 52 -1.344 -8.986 -4.470 1.00 17.21 O ATOM 832 CB ASP A 52 2.134 -9.449 -4.748 1.00 21.05 C ATOM 833 CG ASP A 52 3.290 -8.545 -4.344 1.00 25.12 C ATOM 834 OD1 ASP A 52 3.825 -8.646 -3.208 1.00 28.37 O ATOM 835 OD2 ASP A 52 3.683 -7.717 -5.209 1.00 25.82 O ATOM 0 H ASP A 52 2.297 -9.545 -2.524 1.00 12.71 H new ATOM 0 HA ASP A 52 0.600 -8.147 -4.112 1.00 16.56 H new ATOM 0 HB2 ASP A 52 2.430 -10.492 -4.641 1.00 21.05 H new ATOM 0 HB3 ASP A 52 1.896 -9.292 -5.800 1.00 21.05 H new ATOM 840 N GLY A 53 -0.568 -11.112 -4.327 1.00 15.00 N ATOM 841 CA GLY A 53 -1.644 -11.599 -5.134 1.00 11.77 C ATOM 842 C GLY A 53 -2.922 -11.918 -4.438 1.00 11.10 C ATOM 843 O GLY A 53 -3.719 -12.682 -4.981 1.00 11.25 O ATOM 0 H GLY A 53 0.022 -11.813 -3.879 1.00 15.00 H new ATOM 0 HA2 GLY A 53 -1.854 -10.856 -5.903 1.00 11.77 H new ATOM 0 HA3 GLY A 53 -1.303 -12.499 -5.645 1.00 11.77 H new ATOM 847 N ARG A 54 -3.191 -11.331 -3.258 1.00 8.53 N ATOM 848 CA ARG A 54 -4.456 -11.379 -2.594 1.00 9.05 C ATOM 849 C ARG A 54 -5.177 -10.079 -2.699 1.00 8.96 C ATOM 850 O ARG A 54 -4.591 -9.010 -2.864 1.00 11.60 O ATOM 851 CB ARG A 54 -4.383 -11.938 -1.163 1.00 7.97 C ATOM 852 CG ARG A 54 -3.856 -13.374 -1.189 1.00 9.62 C ATOM 853 CD ARG A 54 -3.387 -13.902 0.168 1.00 12.20 C ATOM 854 NE ARG A 54 -4.640 -13.903 0.974 1.00 18.23 N ATOM 855 CZ ARG A 54 -4.743 -13.920 2.335 1.00 22.08 C ATOM 856 NH1 ARG A 54 -3.688 -14.218 3.148 1.00 23.38 N ATOM 857 NH2 ARG A 54 -5.977 -13.859 2.916 1.00 25.50 N ATOM 0 H ARG A 54 -2.492 -10.797 -2.742 1.00 8.53 H new ATOM 0 HA ARG A 54 -5.062 -12.111 -3.128 1.00 9.05 H new ATOM 0 HB2 ARG A 54 -3.731 -11.313 -0.553 1.00 7.97 H new ATOM 0 HB3 ARG A 54 -5.371 -11.913 -0.703 1.00 7.97 H new ATOM 0 HG2 ARG A 54 -4.641 -14.029 -1.568 1.00 9.62 H new ATOM 0 HG3 ARG A 54 -3.026 -13.430 -1.893 1.00 9.62 H new ATOM 0 HD2 ARG A 54 -2.958 -14.901 0.087 1.00 12.20 H new ATOM 0 HD3 ARG A 54 -2.623 -13.262 0.609 1.00 12.20 H new ATOM 0 HE ARG A 54 -5.516 -13.890 0.452 1.00 18.23 H new ATOM 0 HH11 ARG A 54 -2.779 -14.439 2.743 1.00 23.38 H new ATOM 0 HH12 ARG A 54 -3.809 -14.219 4.161 1.00 23.38 H new ATOM 0 HH21 ARG A 54 -6.813 -13.801 2.334 1.00 25.50 H new ATOM 0 HH22 ARG A 54 -6.063 -13.871 3.932 1.00 25.50 H new ATOM 871 N THR A 55 -6.503 -10.037 -2.479 1.00 9.05 N ATOM 872 CA THR A 55 -7.280 -8.851 -2.666 1.00 9.03 C ATOM 873 C THR A 55 -7.381 -8.035 -1.424 1.00 8.15 C ATOM 874 O THR A 55 -7.060 -8.417 -0.300 1.00 5.91 O ATOM 875 CB THR A 55 -8.653 -9.146 -3.192 1.00 11.15 C ATOM 876 OG1 THR A 55 -9.380 -9.961 -2.284 1.00 11.95 O ATOM 877 CG2 THR A 55 -8.483 -9.982 -4.472 1.00 11.71 C ATOM 0 H THR A 55 -7.046 -10.842 -2.165 1.00 9.05 H new ATOM 0 HA THR A 55 -6.743 -8.268 -3.414 1.00 9.03 H new ATOM 0 HB THR A 55 -9.179 -8.205 -3.353 1.00 11.15 H new ATOM 0 HG1 THR A 55 -10.273 -10.139 -2.647 1.00 11.95 H new ATOM 0 HG21 THR A 55 -9.464 -10.217 -4.886 1.00 11.71 H new ATOM 0 HG22 THR A 55 -7.907 -9.415 -5.203 1.00 11.71 H new ATOM 0 HG23 THR A 55 -7.958 -10.907 -4.235 1.00 11.71 H new ATOM 885 N LEU A 56 -7.915 -6.806 -1.543 1.00 6.91 N ATOM 886 CA LEU A 56 -8.163 -5.967 -0.413 1.00 8.29 C ATOM 887 C LEU A 56 -9.237 -6.476 0.486 1.00 8.05 C ATOM 888 O LEU A 56 -9.164 -6.506 1.713 1.00 10.17 O ATOM 889 CB LEU A 56 -8.381 -4.566 -1.009 1.00 6.60 C ATOM 890 CG LEU A 56 -7.182 -4.098 -1.850 1.00 7.73 C ATOM 891 CD1 LEU A 56 -7.531 -2.698 -2.383 1.00 8.64 C ATOM 892 CD2 LEU A 56 -6.034 -3.834 -0.861 1.00 9.85 C ATOM 0 H LEU A 56 -8.178 -6.389 -2.436 1.00 6.91 H new ATOM 0 HA LEU A 56 -7.326 -5.945 0.285 1.00 8.29 H new ATOM 0 HB2 LEU A 56 -9.277 -4.573 -1.630 1.00 6.60 H new ATOM 0 HB3 LEU A 56 -8.557 -3.854 -0.203 1.00 6.60 H new ATOM 0 HG LEU A 56 -6.941 -4.818 -2.632 1.00 7.73 H new ATOM 0 HD11 LEU A 56 -6.706 -2.323 -2.989 1.00 8.64 H new ATOM 0 HD12 LEU A 56 -8.432 -2.755 -2.993 1.00 8.64 H new ATOM 0 HD13 LEU A 56 -7.703 -2.022 -1.545 1.00 8.64 H new ATOM 0 HD21 LEU A 56 -5.153 -3.497 -1.408 1.00 9.85 H new ATOM 0 HD22 LEU A 56 -6.336 -3.065 -0.150 1.00 9.85 H new ATOM 0 HD23 LEU A 56 -5.798 -4.752 -0.323 1.00 9.85 H new ATOM 904 N SER A 57 -10.314 -7.045 -0.085 1.00 8.92 N ATOM 905 CA SER A 57 -11.300 -7.895 0.505 1.00 9.00 C ATOM 906 C SER A 57 -10.689 -8.987 1.314 1.00 9.44 C ATOM 907 O SER A 57 -11.152 -9.254 2.422 1.00 10.91 O ATOM 908 CB SER A 57 -12.241 -8.555 -0.517 1.00 10.32 C ATOM 909 OG SER A 57 -13.604 -8.604 -0.124 1.00 13.59 O ATOM 0 H SER A 57 -10.513 -6.889 -1.073 1.00 8.92 H new ATOM 0 HA SER A 57 -11.879 -7.223 1.138 1.00 9.00 H new ATOM 0 HB2 SER A 57 -12.168 -8.013 -1.460 1.00 10.32 H new ATOM 0 HB3 SER A 57 -11.895 -9.571 -0.706 1.00 10.32 H new ATOM 0 HG SER A 57 -14.132 -9.035 -0.828 1.00 13.59 H new ATOM 915 N ASP A 58 -9.574 -9.609 0.890 1.00 9.11 N ATOM 916 CA ASP A 58 -8.973 -10.754 1.498 1.00 7.91 C ATOM 917 C ASP A 58 -8.104 -10.390 2.652 1.00 9.12 C ATOM 918 O ASP A 58 -8.028 -11.163 3.606 1.00 8.61 O ATOM 919 CB ASP A 58 -8.154 -11.440 0.392 1.00 8.41 C ATOM 920 CG ASP A 58 -7.896 -12.921 0.627 1.00 11.50 C ATOM 921 OD1 ASP A 58 -8.343 -13.575 1.607 1.00 10.05 O ATOM 922 OD2 ASP A 58 -7.064 -13.451 -0.157 1.00 11.70 O ATOM 0 H ASP A 58 -9.060 -9.290 0.069 1.00 9.11 H new ATOM 0 HA ASP A 58 -9.739 -11.414 1.906 1.00 7.91 H new ATOM 0 HB2 ASP A 58 -8.677 -11.321 -0.557 1.00 8.41 H new ATOM 0 HB3 ASP A 58 -7.197 -10.928 0.295 1.00 8.41 H new ATOM 927 N TYR A 59 -7.426 -9.228 2.661 1.00 7.97 N ATOM 928 CA TYR A 59 -6.731 -8.727 3.806 1.00 8.45 C ATOM 929 C TYR A 59 -7.622 -7.895 4.663 1.00 10.98 C ATOM 930 O TYR A 59 -7.277 -7.621 5.811 1.00 12.95 O ATOM 931 CB TYR A 59 -5.596 -7.717 3.565 1.00 7.94 C ATOM 932 CG TYR A 59 -4.440 -8.438 2.961 1.00 6.91 C ATOM 933 CD1 TYR A 59 -3.520 -9.173 3.671 1.00 6.98 C ATOM 934 CD2 TYR A 59 -4.457 -8.436 1.586 1.00 4.59 C ATOM 935 CE1 TYR A 59 -2.617 -9.928 2.961 1.00 6.52 C ATOM 936 CE2 TYR A 59 -3.468 -9.119 0.918 1.00 5.39 C ATOM 937 CZ TYR A 59 -2.546 -9.888 1.588 1.00 6.76 C ATOM 938 OH TYR A 59 -1.664 -10.733 0.883 1.00 7.63 O ATOM 0 H TYR A 59 -7.359 -8.618 1.846 1.00 7.97 H new ATOM 0 HA TYR A 59 -6.356 -9.663 4.220 1.00 8.45 H new ATOM 0 HB2 TYR A 59 -5.933 -6.920 2.902 1.00 7.94 H new ATOM 0 HB3 TYR A 59 -5.301 -7.248 4.504 1.00 7.94 H new ATOM 0 HD1 TYR A 59 -3.507 -9.158 4.751 1.00 6.98 H new ATOM 0 HD2 TYR A 59 -5.229 -7.910 1.044 1.00 4.59 H new ATOM 0 HE1 TYR A 59 -1.940 -10.575 3.500 1.00 6.52 H new ATOM 0 HE2 TYR A 59 -3.414 -9.050 -0.158 1.00 5.39 H new ATOM 0 HH TYR A 59 -1.293 -10.251 0.115 1.00 7.63 H new ATOM 948 N ASN A 60 -8.862 -7.553 4.269 1.00 12.38 N ATOM 949 CA ASN A 60 -9.968 -6.996 4.984 1.00 13.94 C ATOM 950 C ASN A 60 -9.763 -5.524 5.096 1.00 14.16 C ATOM 951 O ASN A 60 -10.219 -4.833 6.006 1.00 14.26 O ATOM 952 CB ASN A 60 -10.195 -7.671 6.347 1.00 19.23 C ATOM 953 CG ASN A 60 -10.432 -9.174 6.321 1.00 22.65 C ATOM 954 OD1 ASN A 60 -9.596 -10.031 6.601 1.00 25.45 O ATOM 955 ND2 ASN A 60 -11.705 -9.592 6.089 1.00 24.09 N ATOM 0 H ASN A 60 -9.122 -7.693 3.293 1.00 12.38 H new ATOM 0 HA ASN A 60 -10.886 -7.187 4.429 1.00 13.94 H new ATOM 0 HB2 ASN A 60 -9.328 -7.472 6.977 1.00 19.23 H new ATOM 0 HB3 ASN A 60 -11.052 -7.197 6.826 1.00 19.23 H new ATOM 0 HD21 ASN A 60 -11.935 -10.584 6.150 1.00 24.09 H new ATOM 0 HD22 ASN A 60 -12.430 -8.914 5.854 1.00 24.09 H new ATOM 962 N ILE A 61 -9.079 -4.901 4.120 1.00 11.08 N ATOM 963 CA ILE A 61 -8.763 -3.507 4.089 1.00 11.78 C ATOM 964 C ILE A 61 -10.047 -2.852 3.710 1.00 13.74 C ATOM 965 O ILE A 61 -10.775 -3.324 2.837 1.00 14.60 O ATOM 966 CB ILE A 61 -7.595 -3.323 3.166 1.00 11.80 C ATOM 967 CG1 ILE A 61 -6.360 -4.059 3.711 1.00 11.56 C ATOM 968 CG2 ILE A 61 -7.402 -1.812 2.954 1.00 13.29 C ATOM 969 CD1 ILE A 61 -5.091 -3.870 2.881 1.00 11.42 C ATOM 0 H ILE A 61 -8.726 -5.401 3.304 1.00 11.08 H new ATOM 0 HA ILE A 61 -8.429 -3.053 5.022 1.00 11.78 H new ATOM 0 HB ILE A 61 -7.771 -3.771 2.188 1.00 11.80 H new ATOM 0 HG12 ILE A 61 -6.168 -3.716 4.728 1.00 11.56 H new ATOM 0 HG13 ILE A 61 -6.585 -5.124 3.771 1.00 11.56 H new ATOM 0 HG21 ILE A 61 -6.558 -1.643 2.285 1.00 13.29 H new ATOM 0 HG22 ILE A 61 -8.304 -1.388 2.513 1.00 13.29 H new ATOM 0 HG23 ILE A 61 -7.207 -1.332 3.913 1.00 13.29 H new ATOM 0 HD11 ILE A 61 -4.271 -4.424 3.339 1.00 11.42 H new ATOM 0 HD12 ILE A 61 -5.259 -4.240 1.870 1.00 11.42 H new ATOM 0 HD13 ILE A 61 -4.836 -2.811 2.842 1.00 11.42 H new ATOM 981 N GLN A 62 -10.356 -1.801 4.490 1.00 13.97 N ATOM 982 CA GLN A 62 -11.607 -1.110 4.440 1.00 15.52 C ATOM 983 C GLN A 62 -11.566 0.114 3.590 1.00 13.94 C ATOM 984 O GLN A 62 -10.520 0.493 3.065 1.00 12.15 O ATOM 985 CB GLN A 62 -12.174 -0.761 5.826 1.00 19.53 C ATOM 986 CG GLN A 62 -12.495 -2.014 6.642 1.00 26.38 C ATOM 987 CD GLN A 62 -13.554 -2.891 5.989 1.00 30.61 C ATOM 988 OE1 GLN A 62 -14.738 -2.565 5.931 1.00 33.23 O ATOM 989 NE2 GLN A 62 -13.099 -4.022 5.386 1.00 32.71 N ATOM 0 H GLN A 62 -9.711 -1.418 5.181 1.00 13.97 H new ATOM 0 HA GLN A 62 -12.284 -1.827 3.975 1.00 15.52 H new ATOM 0 HB2 GLN A 62 -11.454 -0.148 6.369 1.00 19.53 H new ATOM 0 HB3 GLN A 62 -13.078 -0.163 5.709 1.00 19.53 H new ATOM 0 HG2 GLN A 62 -11.583 -2.595 6.779 1.00 26.38 H new ATOM 0 HG3 GLN A 62 -12.837 -1.718 7.634 1.00 26.38 H new ATOM 0 HE21 GLN A 62 -12.112 -4.271 5.448 1.00 32.71 H new ATOM 0 HE22 GLN A 62 -13.745 -4.621 4.871 1.00 32.71 H new ATOM 998 N LYS A 63 -12.669 0.879 3.504 1.00 11.73 N ATOM 999 CA LYS A 63 -12.731 2.126 2.807 1.00 11.97 C ATOM 1000 C LYS A 63 -11.910 3.091 3.590 1.00 10.41 C ATOM 1001 O LYS A 63 -12.028 3.235 4.806 1.00 9.59 O ATOM 1002 CB LYS A 63 -14.185 2.580 2.594 1.00 13.73 C ATOM 1003 CG LYS A 63 -14.305 3.775 1.645 1.00 16.98 C ATOM 1004 CD LYS A 63 -15.733 4.103 1.208 1.00 20.19 C ATOM 1005 CE LYS A 63 -16.492 5.031 2.159 1.00 23.42 C ATOM 1006 NZ LYS A 63 -16.235 6.468 1.917 1.00 25.97 N ATOM 0 H LYS A 63 -13.554 0.618 3.938 1.00 11.73 H new ATOM 0 HA LYS A 63 -12.326 2.044 1.798 1.00 11.97 H new ATOM 0 HB2 LYS A 63 -14.765 1.747 2.196 1.00 13.73 H new ATOM 0 HB3 LYS A 63 -14.623 2.842 3.557 1.00 13.73 H new ATOM 0 HG2 LYS A 63 -13.878 4.652 2.131 1.00 16.98 H new ATOM 0 HG3 LYS A 63 -13.704 3.578 0.757 1.00 16.98 H new ATOM 0 HD2 LYS A 63 -15.700 4.564 0.221 1.00 20.19 H new ATOM 0 HD3 LYS A 63 -16.291 3.172 1.107 1.00 20.19 H new ATOM 0 HE2 LYS A 63 -17.561 4.841 2.063 1.00 23.42 H new ATOM 0 HE3 LYS A 63 -16.217 4.789 3.186 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 -16.655 7.030 2.685 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 -15.209 6.637 1.886 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 -16.660 6.749 1.010 1.00 25.97 H new ATOM 1020 N GLU A 64 -11.020 3.801 2.873 1.00 10.04 N ATOM 1021 CA GLU A 64 -10.195 4.849 3.388 1.00 10.94 C ATOM 1022 C GLU A 64 -9.461 4.322 4.573 1.00 9.74 C ATOM 1023 O GLU A 64 -9.535 4.857 5.678 1.00 9.42 O ATOM 1024 CB GLU A 64 -11.170 6.019 3.607 1.00 18.31 C ATOM 1025 CG GLU A 64 -11.331 6.772 2.285 1.00 24.16 C ATOM 1026 CD GLU A 64 -12.526 7.710 2.373 1.00 29.00 C ATOM 1027 OE1 GLU A 64 -12.423 8.726 3.112 1.00 31.72 O ATOM 1028 OE2 GLU A 64 -13.568 7.428 1.724 1.00 32.61 O ATOM 0 H GLU A 64 -10.868 3.634 1.878 1.00 10.04 H new ATOM 0 HA GLU A 64 -9.394 5.213 2.744 1.00 10.94 H new ATOM 0 HB2 GLU A 64 -12.135 5.648 3.951 1.00 18.31 H new ATOM 0 HB3 GLU A 64 -10.791 6.688 4.380 1.00 18.31 H new ATOM 0 HG2 GLU A 64 -10.426 7.339 2.066 1.00 24.16 H new ATOM 0 HG3 GLU A 64 -11.470 6.065 1.467 1.00 24.16 H new ATOM 1035 N SER A 65 -8.671 3.259 4.341 1.00 6.85 N ATOM 1036 CA SER A 65 -7.832 2.743 5.379 1.00 6.90 C ATOM 1037 C SER A 65 -6.460 3.281 5.165 1.00 4.72 C ATOM 1038 O SER A 65 -6.127 3.570 4.016 1.00 3.91 O ATOM 1039 CB SER A 65 -7.729 1.209 5.381 1.00 7.28 C ATOM 1040 OG SER A 65 -7.124 0.618 6.522 1.00 10.56 O ATOM 0 H SER A 65 -8.612 2.763 3.451 1.00 6.85 H new ATOM 0 HA SER A 65 -8.272 3.045 6.329 1.00 6.90 H new ATOM 0 HB2 SER A 65 -8.734 0.799 5.276 1.00 7.28 H new ATOM 0 HB3 SER A 65 -7.166 0.903 4.499 1.00 7.28 H new ATOM 0 HG SER A 65 -6.888 -0.312 6.322 1.00 10.56 H new ATOM 1046 N THR A 66 -5.717 3.512 6.262 1.00 4.48 N ATOM 1047 CA THR A 66 -4.366 3.972 6.176 1.00 3.80 C ATOM 1048 C THR A 66 -3.469 2.784 6.137 1.00 4.60 C ATOM 1049 O THR A 66 -3.333 2.022 7.093 1.00 5.33 O ATOM 1050 CB THR A 66 -3.948 4.866 7.306 1.00 2.85 C ATOM 1051 OG1 THR A 66 -4.478 6.181 7.217 1.00 2.15 O ATOM 1052 CG2 THR A 66 -2.437 5.149 7.277 1.00 3.40 C ATOM 0 H THR A 66 -6.055 3.379 7.215 1.00 4.48 H new ATOM 0 HA THR A 66 -4.292 4.574 5.271 1.00 3.80 H new ATOM 0 HB THR A 66 -4.297 4.325 8.185 1.00 2.85 H new ATOM 0 HG1 THR A 66 -4.170 6.710 7.982 1.00 2.15 H new ATOM 0 HG21 THR A 66 -2.173 5.800 8.111 1.00 3.40 H new ATOM 0 HG22 THR A 66 -1.889 4.210 7.361 1.00 3.40 H new ATOM 0 HG23 THR A 66 -2.176 5.638 6.338 1.00 3.40 H new ATOM 1060 N LEU A 67 -2.767 2.577 5.009 1.00 4.17 N ATOM 1061 CA LEU A 67 -1.691 1.635 4.968 1.00 3.85 C ATOM 1062 C LEU A 67 -0.393 2.359 5.069 1.00 3.80 C ATOM 1063 O LEU A 67 -0.299 3.524 4.685 1.00 5.54 O ATOM 1064 CB LEU A 67 -1.664 0.789 3.684 1.00 7.18 C ATOM 1065 CG LEU A 67 -2.977 0.177 3.169 1.00 9.67 C ATOM 1066 CD1 LEU A 67 -2.692 -0.828 2.039 1.00 11.66 C ATOM 1067 CD2 LEU A 67 -3.755 -0.498 4.311 1.00 8.12 C ATOM 0 H LEU A 67 -2.943 3.060 4.128 1.00 4.17 H new ATOM 0 HA LEU A 67 -1.847 0.959 5.808 1.00 3.85 H new ATOM 0 HB2 LEU A 67 -1.256 1.412 2.888 1.00 7.18 H new ATOM 0 HB3 LEU A 67 -0.960 -0.028 3.842 1.00 7.18 H new ATOM 0 HG LEU A 67 -3.595 0.982 2.771 1.00 9.67 H new ATOM 0 HD11 LEU A 67 -3.631 -1.253 1.685 1.00 11.66 H new ATOM 0 HD12 LEU A 67 -2.191 -0.318 1.216 1.00 11.66 H new ATOM 0 HD13 LEU A 67 -2.052 -1.626 2.415 1.00 11.66 H new ATOM 0 HD21 LEU A 67 -4.680 -0.923 3.920 1.00 8.12 H new ATOM 0 HD22 LEU A 67 -3.147 -1.291 4.746 1.00 8.12 H new ATOM 0 HD23 LEU A 67 -3.991 0.241 5.077 1.00 8.12 H new ATOM 1079 N HIS A 68 0.663 1.687 5.561 1.00 2.94 N ATOM 1080 CA HIS A 68 1.951 2.284 5.736 1.00 4.17 C ATOM 1081 C HIS A 68 2.925 1.755 4.740 1.00 5.32 C ATOM 1082 O HIS A 68 3.231 0.572 4.606 1.00 7.70 O ATOM 1083 CB HIS A 68 2.536 2.167 7.154 1.00 5.57 C ATOM 1084 CG HIS A 68 1.920 2.991 8.245 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.871 2.483 8.983 1.00 13.74 N ATOM 1086 CD2 HIS A 68 2.173 4.208 8.797 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.483 3.440 9.869 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.270 4.497 9.800 1.00 16.30 N ATOM 0 H HIS A 68 0.621 0.708 5.843 1.00 2.94 H new ATOM 0 HA HIS A 68 1.784 3.348 5.572 1.00 4.17 H new ATOM 0 HB2 HIS A 68 2.477 1.121 7.453 1.00 5.57 H new ATOM 0 HB3 HIS A 68 3.594 2.424 7.100 1.00 5.57 H new ATOM 0 HD1 HIS A 68 0.459 1.555 8.882 1.00 13.74 H new ATOM 0 HD2 HIS A 68 2.975 4.863 8.491 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -0.358 3.347 10.540 1.00 14.75 H new ATOM 1096 N LEU A 69 3.668 2.667 4.088 1.00 5.29 N ATOM 1097 CA LEU A 69 4.574 2.328 3.035 1.00 3.97 C ATOM 1098 C LEU A 69 5.966 2.330 3.566 1.00 5.07 C ATOM 1099 O LEU A 69 6.434 3.214 4.282 1.00 4.34 O ATOM 1100 CB LEU A 69 4.479 3.397 1.933 1.00 6.08 C ATOM 1101 CG LEU A 69 5.254 3.288 0.609 1.00 7.37 C ATOM 1102 CD1 LEU A 69 5.023 1.982 -0.170 1.00 9.96 C ATOM 1103 CD2 LEU A 69 4.994 4.496 -0.307 1.00 6.87 C ATOM 0 H LEU A 69 3.638 3.665 4.298 1.00 5.29 H new ATOM 0 HA LEU A 69 4.322 1.344 2.638 1.00 3.97 H new ATOM 0 HB2 LEU A 69 3.424 3.483 1.671 1.00 6.08 H new ATOM 0 HB3 LEU A 69 4.772 4.343 2.389 1.00 6.08 H new ATOM 0 HG LEU A 69 6.300 3.279 0.915 1.00 7.37 H new ATOM 0 HD11 LEU A 69 5.610 1.997 -1.088 1.00 9.96 H new ATOM 0 HD12 LEU A 69 5.329 1.134 0.443 1.00 9.96 H new ATOM 0 HD13 LEU A 69 3.966 1.888 -0.417 1.00 9.96 H new ATOM 0 HD21 LEU A 69 5.560 4.380 -1.231 1.00 6.87 H new ATOM 0 HD22 LEU A 69 3.930 4.555 -0.538 1.00 6.87 H new ATOM 0 HD23 LEU A 69 5.307 5.410 0.198 1.00 6.87 H new ATOM 1115 N VAL A 70 6.627 1.194 3.281 1.00 4.29 N ATOM 1116 CA VAL A 70 7.876 0.839 3.880 1.00 6.26 C ATOM 1117 C VAL A 70 8.850 0.637 2.771 1.00 9.22 C ATOM 1118 O VAL A 70 8.782 -0.386 2.091 1.00 9.36 O ATOM 1119 CB VAL A 70 7.671 -0.410 4.686 1.00 8.69 C ATOM 1120 CG1 VAL A 70 9.040 -0.850 5.230 1.00 9.76 C ATOM 1121 CG2 VAL A 70 6.547 -0.335 5.732 1.00 8.54 C ATOM 0 H VAL A 70 6.283 0.502 2.615 1.00 4.29 H new ATOM 0 HA VAL A 70 8.257 1.609 4.550 1.00 6.26 H new ATOM 0 HB VAL A 70 7.282 -1.191 4.033 1.00 8.69 H new ATOM 0 HG11 VAL A 70 8.922 -1.758 5.821 1.00 9.76 H new ATOM 0 HG12 VAL A 70 9.717 -1.045 4.398 1.00 9.76 H new ATOM 0 HG13 VAL A 70 9.453 -0.060 5.857 1.00 9.76 H new ATOM 0 HG21 VAL A 70 6.478 -1.285 6.261 1.00 8.54 H new ATOM 0 HG22 VAL A 70 6.765 0.462 6.444 1.00 8.54 H new ATOM 0 HG23 VAL A 70 5.600 -0.128 5.234 1.00 8.54 H new ATOM 1131 N LEU A 71 9.656 1.684 2.520 1.00 12.71 N ATOM 1132 CA LEU A 71 10.642 1.733 1.486 1.00 16.06 C ATOM 1133 C LEU A 71 11.964 1.105 1.766 1.00 18.09 C ATOM 1134 O LEU A 71 12.133 0.157 2.531 1.00 19.26 O ATOM 1135 CB LEU A 71 10.757 3.170 0.952 1.00 17.10 C ATOM 1136 CG LEU A 71 9.401 3.631 0.391 1.00 19.37 C ATOM 1137 CD1 LEU A 71 9.491 5.087 -0.096 1.00 19.57 C ATOM 1138 CD2 LEU A 71 8.879 2.665 -0.685 1.00 17.51 C ATOM 0 H LEU A 71 9.617 2.543 3.069 1.00 12.71 H new ATOM 0 HA LEU A 71 10.266 1.071 0.706 1.00 16.06 H new ATOM 0 HB2 LEU A 71 11.076 3.839 1.751 1.00 17.10 H new ATOM 0 HB3 LEU A 71 11.518 3.218 0.173 1.00 17.10 H new ATOM 0 HG LEU A 71 8.663 3.608 1.192 1.00 19.37 H new ATOM 0 HD11 LEU A 71 8.524 5.399 -0.490 1.00 19.57 H new ATOM 0 HD12 LEU A 71 9.769 5.733 0.737 1.00 19.57 H new ATOM 0 HD13 LEU A 71 10.244 5.162 -0.880 1.00 19.57 H new ATOM 0 HD21 LEU A 71 7.919 3.021 -1.059 1.00 17.51 H new ATOM 0 HD22 LEU A 71 9.593 2.615 -1.507 1.00 17.51 H new ATOM 0 HD23 LEU A 71 8.754 1.672 -0.253 1.00 17.51 H new ATOM 1150 N ARG A 72 13.028 1.478 1.032 1.00 21.47 N ATOM 1151 CA ARG A 72 14.336 1.001 1.360 1.00 25.83 C ATOM 1152 C ARG A 72 15.110 2.047 2.087 1.00 27.74 C ATOM 1153 O ARG A 72 15.610 2.956 1.427 1.00 30.65 O ATOM 1154 CB ARG A 72 15.128 0.606 0.102 1.00 28.49 C ATOM 1155 CG ARG A 72 14.586 -0.627 -0.624 1.00 31.79 C ATOM 1156 CD ARG A 72 15.159 -0.719 -2.040 1.00 34.05 C ATOM 1157 NE ARG A 72 14.565 -1.960 -2.613 1.00 35.08 N ATOM 1158 CZ ARG A 72 14.678 -2.383 -3.906 1.00 34.67 C ATOM 1159 NH1 ARG A 72 15.360 -1.635 -4.821 1.00 35.02 N ATOM 1160 NH2 ARG A 72 13.912 -3.405 -4.389 1.00 34.97 N ATOM 0 H ARG A 72 12.985 2.100 0.224 1.00 21.47 H new ATOM 0 HA ARG A 72 14.201 0.123 1.991 1.00 25.83 H new ATOM 0 HB2 ARG A 72 15.131 1.448 -0.590 1.00 28.49 H new ATOM 0 HB3 ARG A 72 16.165 0.421 0.383 1.00 28.49 H new ATOM 0 HG2 ARG A 72 14.842 -1.526 -0.064 1.00 31.79 H new ATOM 0 HG3 ARG A 72 13.498 -0.579 -0.669 1.00 31.79 H new ATOM 0 HD2 ARG A 72 14.892 0.157 -2.632 1.00 34.05 H new ATOM 0 HD3 ARG A 72 16.248 -0.773 -2.023 1.00 34.05 H new ATOM 0 HE ARG A 72 14.023 -2.548 -1.980 1.00 35.08 H new ATOM 0 HH11 ARG A 72 15.790 -0.753 -4.541 1.00 35.02 H new ATOM 0 HH12 ARG A 72 15.440 -1.958 -5.785 1.00 35.02 H new ATOM 0 HH21 ARG A 72 13.238 -3.869 -3.780 1.00 34.97 H new ATOM 0 HH22 ARG A 72 14.014 -3.704 -5.359 1.00 34.97 H new ATOM 1174 N LEU A 73 15.232 1.976 3.424 1.00 28.93 N ATOM 1175 CA LEU A 73 15.813 3.043 4.180 1.00 30.76 C ATOM 1176 C LEU A 73 17.212 2.728 4.585 1.00 32.18 C ATOM 1177 O LEU A 73 18.151 3.273 4.007 1.00 32.31 O ATOM 1178 CB LEU A 73 14.883 3.277 5.382 1.00 30.53 C ATOM 1179 CG LEU A 73 15.256 4.254 6.510 1.00 30.16 C ATOM 1180 CD1 LEU A 73 15.575 5.665 5.985 1.00 29.11 C ATOM 1181 CD2 LEU A 73 14.014 4.345 7.413 1.00 29.57 C ATOM 0 H LEU A 73 14.928 1.179 3.983 1.00 28.93 H new ATOM 0 HA LEU A 73 15.894 3.953 3.586 1.00 30.76 H new ATOM 0 HB2 LEU A 73 13.925 3.607 4.981 1.00 30.53 H new ATOM 0 HB3 LEU A 73 14.716 2.305 5.847 1.00 30.53 H new ATOM 0 HG LEU A 73 16.146 3.894 7.025 1.00 30.16 H new ATOM 0 HD11 LEU A 73 15.832 6.315 6.821 1.00 29.11 H new ATOM 0 HD12 LEU A 73 16.416 5.614 5.293 1.00 29.11 H new ATOM 0 HD13 LEU A 73 14.703 6.066 5.468 1.00 29.11 H new ATOM 0 HD21 LEU A 73 14.214 5.028 8.239 1.00 29.57 H new ATOM 0 HD22 LEU A 73 13.169 4.715 6.833 1.00 29.57 H new ATOM 0 HD23 LEU A 73 13.778 3.357 7.808 1.00 29.57 H new ATOM 1193 N ARG A 74 17.346 1.660 5.391 1.00 33.82 N ATOM 1194 CA ARG A 74 18.609 1.192 5.872 1.00 35.33 C ATOM 1195 C ARG A 74 18.405 -0.284 5.882 1.00 36.22 C ATOM 1196 O ARG A 74 18.908 -0.865 4.921 1.00 36.70 O ATOM 1197 CB ARG A 74 18.775 1.681 7.321 1.00 36.91 C ATOM 1198 CG ARG A 74 19.754 2.813 7.639 1.00 38.62 C ATOM 1199 CD ARG A 74 19.104 4.184 7.840 1.00 39.75 C ATOM 1200 NE ARG A 74 18.150 4.247 8.983 1.00 41.13 N ATOM 1201 CZ ARG A 74 17.418 5.354 9.301 1.00 41.91 C ATOM 1202 NH1 ARG A 74 17.502 6.628 8.818 1.00 42.75 N ATOM 1203 NH2 ARG A 74 16.447 5.266 10.257 1.00 41.93 N ATOM 0 H ARG A 74 16.554 1.106 5.717 1.00 33.82 H new ATOM 0 HA ARG A 74 19.472 1.519 5.292 1.00 35.33 H new ATOM 0 HB2 ARG A 74 17.792 1.995 7.672 1.00 36.91 H new ATOM 0 HB3 ARG A 74 19.068 0.820 7.922 1.00 36.91 H new ATOM 0 HG2 ARG A 74 20.308 2.553 8.541 1.00 38.62 H new ATOM 0 HG3 ARG A 74 20.480 2.885 6.829 1.00 38.62 H new ATOM 0 HD2 ARG A 74 19.888 4.926 7.994 1.00 39.75 H new ATOM 0 HD3 ARG A 74 18.578 4.461 6.927 1.00 39.75 H new ATOM 0 HE ARG A 74 18.038 3.414 9.561 1.00 41.13 H new ATOM 0 HH11 ARG A 74 18.197 6.859 8.108 1.00 42.75 H new ATOM 0 HH12 ARG A 74 16.870 7.349 9.167 1.00 42.75 H new ATOM 0 HH21 ARG A 74 16.273 4.378 10.727 1.00 41.93 H new ATOM 0 HH22 ARG A 74 15.895 6.089 10.501 1.00 41.93 H new ATOM 1217 N GLY A 75 17.806 -0.931 6.897 1.00 36.31 N ATOM 1218 CA GLY A 75 17.430 -2.302 6.737 1.00 36.07 C ATOM 1219 C GLY A 75 16.129 -2.688 7.352 1.00 36.16 C ATOM 1220 O GLY A 75 15.687 -2.200 8.391 1.00 36.26 O ATOM 0 H GLY A 75 17.586 -0.520 7.804 1.00 36.31 H new ATOM 0 HA2 GLY A 75 17.389 -2.527 5.671 1.00 36.07 H new ATOM 0 HA3 GLY A 75 18.214 -2.927 7.165 1.00 36.07 H new ATOM 1224 N GLY A 76 15.414 -3.680 6.792 1.00 36.05 N ATOM 1225 CA GLY A 76 14.234 -4.155 7.445 1.00 36.19 C ATOM 1226 C GLY A 76 13.609 -5.318 6.688 1.00 36.20 C ATOM 1227 O GLY A 76 14.138 -5.654 5.595 1.00 36.13 O ATOM 1228 OXT GLY A 76 12.545 -5.802 7.160 1.00 36.27 O ATOM 0 H GLY A 76 15.643 -4.142 5.912 1.00 36.05 H new ATOM 0 HA2 GLY A 76 14.479 -4.469 8.459 1.00 36.19 H new ATOM 0 HA3 GLY A 76 13.511 -3.343 7.529 1.00 36.19 H new TER 1232 GLY A 76