USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 THR OG1 : rot 180:sc= 0.135 USER MOD Set 1.2: A 9 THR OG1 : rot 0:sc= 0.0316 USER MOD Set 2.1: A 6 LYS NZ :NH3+ 166:sc= 0.869 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 130:sc= 0.763 USER MOD Single : A 1 MET CE :methyl -131:sc=-0.00255 (180deg=-0.455) USER MOD Single : A 1 MET N :NH3+ 177:sc= 2.46 (180deg=2.3) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 11 LYS NZ :NH3+ -177:sc= 1.18 (180deg=1.1) 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 22 THR OG1 : rot 180:sc= -0.027 USER MOD Single : A 25 ASN : amide:sc=-0.00918 X(o=-0.0092,f=-0.32) USER MOD Single : A 27 LYS NZ :NH3+ -158:sc= 1.99 (180deg=1.4) USER MOD Single : A 29 LYS NZ :NH3+ 153:sc= 0.753 (180deg=0.37) USER MOD Single : A 31 GLN : amide:sc= -0.177 X(o=-0.18,f=-0.19) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0373 X(o=-0.037,f=0) USER MOD Single : A 41 GLN : amide:sc= 1.03 K(o=1,f=-2.8!) USER MOD Single : A 48 LYS NZ :NH3+ 174:sc= 0.487 (180deg=0.419) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 55 THR OG1 : rot -38:sc= 1.28 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc=-0.000697 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.196 -7.747 -5.070 1.00 9.67 N ATOM 2 CA MET A 1 11.285 -7.378 -3.578 1.00 10.38 C ATOM 3 C MET A 1 10.014 -7.791 -2.880 1.00 9.62 C ATOM 4 O MET A 1 8.921 -7.609 -3.366 1.00 9.62 O ATOM 5 CB MET A 1 11.459 -5.854 -3.350 1.00 13.77 C ATOM 6 CG MET A 1 11.793 -5.587 -1.898 1.00 16.29 C ATOM 7 SD MET A 1 12.204 -3.858 -1.387 1.00 17.17 S ATOM 8 CE MET A 1 10.519 -3.267 -1.279 1.00 16.11 C ATOM 0 H1 MET A 1 12.051 -7.417 -5.561 1.00 9.67 H new ATOM 0 H2 MET A 1 11.118 -8.779 -5.168 1.00 9.67 H new ATOM 0 H3 MET A 1 10.359 -7.295 -5.490 1.00 9.67 H new ATOM 0 HA MET A 1 12.157 -7.897 -3.181 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.252 -5.469 -3.992 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.544 -5.329 -3.625 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.945 -5.917 -1.297 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.639 -6.221 -1.631 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.429 -2.325 -1.819 1.00 16.11 H new ATOM 0 HE2 MET A 1 9.846 -4.003 -1.719 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.254 -3.112 -0.233 1.00 16.11 H new ATOM 20 N GLN A 2 9.927 -8.436 -1.623 1.00 9.27 N ATOM 21 CA GLN A 2 8.761 -8.899 -1.032 1.00 9.07 C ATOM 22 C GLN A 2 8.328 -7.908 0.022 1.00 8.72 C ATOM 23 O GLN A 2 9.114 -7.441 0.857 1.00 8.22 O ATOM 24 CB GLN A 2 9.079 -10.343 -0.475 1.00 14.46 C ATOM 25 CG GLN A 2 7.815 -11.044 -0.044 1.00 17.01 C ATOM 26 CD GLN A 2 7.950 -12.482 0.332 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.135 -12.918 1.474 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.823 -13.337 -0.743 1.00 19.49 N ATOM 0 H GLN A 2 10.751 -8.608 -1.048 1.00 9.27 H new ATOM 0 HA GLN A 2 7.923 -8.983 -1.724 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.582 -10.931 -1.243 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.764 -10.269 0.369 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.399 -10.506 0.808 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.089 -10.969 -0.854 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.671 -12.961 -1.679 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.881 -14.346 -0.602 1.00 19.49 H new ATOM 37 N ILE A 3 7.036 -7.589 0.045 1.00 5.87 N ATOM 38 CA ILE A 3 6.485 -6.768 1.164 1.00 5.07 C ATOM 39 C ILE A 3 5.253 -7.457 1.602 1.00 4.01 C ATOM 40 O ILE A 3 4.672 -8.260 0.855 1.00 4.61 O ATOM 41 CB ILE A 3 6.174 -5.343 0.848 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.265 -5.217 -0.461 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.435 -4.497 0.830 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.746 -3.792 -0.753 1.00 10.83 C ATOM 0 H ILE A 3 6.357 -7.866 -0.664 1.00 5.87 H new ATOM 0 HA ILE A 3 7.259 -6.698 1.928 1.00 5.07 H new ATOM 0 HB ILE A 3 5.564 -4.929 1.651 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.840 -5.563 -1.320 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.411 -5.886 -0.359 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.177 -3.464 0.597 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.916 -4.539 1.807 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.119 -4.880 0.073 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.140 -3.804 -1.659 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.140 -3.447 0.085 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.591 -3.118 -0.891 1.00 10.83 H new ATOM 56 N PHE A 4 4.871 -7.147 2.839 1.00 4.55 N ATOM 57 CA PHE A 4 3.633 -7.736 3.340 1.00 4.68 C ATOM 58 C PHE A 4 2.597 -6.619 3.450 1.00 5.30 C ATOM 59 O PHE A 4 2.787 -5.615 4.171 1.00 5.58 O ATOM 60 CB PHE A 4 3.783 -8.407 4.695 1.00 4.83 C ATOM 61 CG PHE A 4 4.848 -9.409 4.708 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.660 -10.618 4.044 1.00 6.69 C ATOM 63 CD2 PHE A 4 6.045 -9.235 5.433 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.653 -11.566 3.906 1.00 9.10 C ATOM 65 CE2 PHE A 4 7.037 -10.244 5.486 1.00 10.61 C ATOM 66 CZ PHE A 4 6.821 -11.464 4.748 1.00 8.90 C ATOM 0 H PHE A 4 5.367 -6.528 3.481 1.00 4.55 H new ATOM 0 HA PHE A 4 3.331 -8.516 2.642 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.991 -7.650 5.451 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.840 -8.880 4.969 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.690 -10.824 3.616 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.209 -8.308 5.962 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.559 -12.365 3.185 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.936 -10.103 6.067 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.519 -12.285 4.824 1.00 8.90 H new ATOM 76 N VAL A 5 1.420 -6.820 2.827 1.00 4.44 N ATOM 77 CA VAL A 5 0.314 -5.929 3.049 1.00 3.87 C ATOM 78 C VAL A 5 -0.743 -6.611 3.877 1.00 4.93 C ATOM 79 O VAL A 5 -1.173 -7.694 3.478 1.00 6.84 O ATOM 80 CB VAL A 5 -0.373 -5.393 1.747 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.561 -4.469 1.969 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.666 -4.459 1.063 1.00 9.13 C ATOM 0 H VAL A 5 1.232 -7.585 2.179 1.00 4.44 H new ATOM 0 HA VAL A 5 0.750 -5.071 3.561 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.705 -6.275 1.199 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.963 -4.155 1.006 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.333 -4.997 2.530 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.240 -3.592 2.531 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.241 -4.053 0.145 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.920 -3.641 1.738 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.566 -5.027 0.827 1.00 9.13 H new ATOM 92 N LYS A 6 -1.156 -5.931 4.944 1.00 6.04 N ATOM 93 CA LYS A 6 -2.207 -6.444 5.783 1.00 6.12 C ATOM 94 C LYS A 6 -3.521 -5.703 5.530 1.00 6.57 C ATOM 95 O LYS A 6 -3.613 -4.511 5.841 1.00 5.76 O ATOM 96 CB LYS A 6 -1.930 -6.159 7.317 1.00 7.45 C ATOM 97 CG LYS A 6 -0.577 -6.719 7.758 1.00 11.12 C ATOM 98 CD LYS A 6 -0.536 -8.204 7.925 1.00 14.54 C ATOM 99 CE LYS A 6 0.790 -8.686 8.457 1.00 18.84 C ATOM 100 NZ LYS A 6 0.661 -10.125 8.767 1.00 20.55 N ATOM 0 H LYS A 6 -0.775 -5.031 5.237 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.255 -7.509 5.554 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.956 -5.085 7.499 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.722 -6.604 7.919 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.176 -6.429 7.025 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.298 -6.254 8.703 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.331 -8.513 8.604 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.734 -8.681 6.965 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.578 -8.524 7.721 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.068 -8.127 9.350 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.606 -10.536 8.907 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.099 -10.244 9.634 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.187 -10.609 7.978 1.00 20.55 H new ATOM 114 N THR A 7 -4.567 -6.454 5.128 1.00 7.41 N ATOM 115 CA THR A 7 -5.905 -5.991 4.827 1.00 7.48 C ATOM 116 C THR A 7 -6.712 -5.407 5.958 1.00 8.75 C ATOM 117 O THR A 7 -6.256 -5.438 7.094 1.00 8.58 O ATOM 118 CB THR A 7 -6.705 -6.942 3.918 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.224 -8.064 4.576 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.776 -7.425 2.773 1.00 9.17 C ATOM 0 H THR A 7 -4.476 -7.462 5.002 1.00 7.41 H new ATOM 0 HA THR A 7 -5.694 -5.102 4.232 1.00 7.48 H new ATOM 0 HB THR A 7 -7.560 -6.376 3.549 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.719 -8.618 3.937 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.327 -8.101 2.118 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.429 -6.566 2.199 1.00 9.17 H new ATOM 0 HG23 THR A 7 -4.919 -7.948 3.196 1.00 9.17 H new ATOM 128 N LEU A 8 -7.914 -4.853 5.700 1.00 9.84 N ATOM 129 CA LEU A 8 -8.784 -4.348 6.746 1.00 14.15 C ATOM 130 C LEU A 8 -9.583 -5.523 7.385 1.00 17.37 C ATOM 131 O LEU A 8 -10.171 -5.386 8.467 1.00 17.01 O ATOM 132 CB LEU A 8 -9.768 -3.323 6.098 1.00 16.63 C ATOM 133 CG LEU A 8 -10.674 -2.599 7.102 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.903 -1.550 7.888 1.00 19.31 C ATOM 135 CD2 LEU A 8 -11.740 -1.743 6.377 1.00 18.59 C ATOM 0 H LEU A 8 -8.295 -4.750 4.759 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.198 -3.867 7.529 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.191 -2.581 5.546 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.393 -3.845 5.373 1.00 16.63 H new ATOM 0 HG LEU A 8 -11.093 -3.390 7.724 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.574 -1.056 8.590 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.092 -2.029 8.437 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.489 -0.812 7.201 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -12.367 -1.242 7.114 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -11.246 -0.997 5.754 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -12.359 -2.386 5.751 1.00 18.59 H new ATOM 147 N THR A 9 -9.628 -6.673 6.692 1.00 18.33 N ATOM 148 CA THR A 9 -10.204 -7.855 7.316 1.00 19.24 C ATOM 149 C THR A 9 -9.142 -8.736 7.951 1.00 19.48 C ATOM 150 O THR A 9 -9.367 -9.568 8.788 1.00 23.14 O ATOM 151 CB THR A 9 -10.996 -8.649 6.275 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.253 -9.037 5.135 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.125 -7.799 5.864 1.00 19.70 C ATOM 0 H THR A 9 -9.286 -6.800 5.740 1.00 18.33 H new ATOM 0 HA THR A 9 -10.870 -7.524 8.113 1.00 19.24 H new ATOM 0 HB THR A 9 -11.310 -9.586 6.736 1.00 18.97 H new ATOM 0 HG1 THR A 9 -9.330 -8.719 5.222 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.723 -8.324 5.119 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.744 -7.572 6.732 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.745 -6.871 5.437 1.00 19.70 H new ATOM 161 N GLY A 10 -7.850 -8.521 7.593 1.00 19.43 N ATOM 162 CA GLY A 10 -6.743 -9.149 8.280 1.00 18.74 C ATOM 163 C GLY A 10 -6.019 -10.238 7.518 1.00 17.62 C ATOM 164 O GLY A 10 -5.097 -10.856 8.001 1.00 19.74 O ATOM 0 H GLY A 10 -7.571 -7.910 6.825 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.021 -8.377 8.544 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.114 -9.572 9.214 1.00 18.74 H new ATOM 168 N LYS A 11 -6.325 -10.405 6.207 1.00 13.56 N ATOM 169 CA LYS A 11 -5.499 -11.185 5.301 1.00 11.91 C ATOM 170 C LYS A 11 -4.169 -10.543 5.075 1.00 10.18 C ATOM 171 O LYS A 11 -3.971 -9.343 5.167 1.00 9.10 O ATOM 172 CB LYS A 11 -6.297 -11.439 3.996 1.00 13.43 C ATOM 173 CG LYS A 11 -5.893 -12.621 3.145 1.00 16.69 C ATOM 174 CD LYS A 11 -6.588 -12.739 1.832 1.00 17.92 C ATOM 175 CE LYS A 11 -6.267 -11.670 0.798 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.087 -11.868 -0.419 1.00 21.93 N ATOM 0 H LYS A 11 -7.150 -9.998 5.767 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.267 -12.152 5.746 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.347 -11.561 4.263 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.227 -10.542 3.380 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.820 -12.565 2.963 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.073 -13.533 3.714 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -6.346 -13.712 1.404 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.663 -12.728 2.012 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.458 -10.682 1.216 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -5.208 -11.709 0.542 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -6.821 -11.162 -1.135 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -6.923 -12.823 -0.796 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.093 -11.758 -0.181 1.00 21.93 H new ATOM 190 N THR A 12 -3.149 -11.405 4.773 1.00 9.63 N ATOM 191 CA THR A 12 -1.796 -10.931 4.364 1.00 9.85 C ATOM 192 C THR A 12 -1.731 -11.186 2.930 1.00 11.66 C ATOM 193 O THR A 12 -1.862 -12.303 2.460 1.00 12.33 O ATOM 194 CB THR A 12 -0.655 -11.580 5.069 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.689 -11.229 6.430 1.00 10.91 O ATOM 196 CG2 THR A 12 0.708 -11.015 4.602 1.00 9.63 C ATOM 0 H THR A 12 -3.241 -12.420 4.806 1.00 9.63 H new ATOM 0 HA THR A 12 -1.686 -9.880 4.631 1.00 9.85 H new ATOM 0 HB THR A 12 -0.747 -12.648 4.873 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.617 -12.038 6.978 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.513 -11.515 5.141 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.826 -11.187 3.532 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.747 -9.945 4.804 1.00 9.63 H new ATOM 204 N ILE A 13 -1.622 -10.075 2.170 1.00 10.42 N ATOM 205 CA ILE A 13 -1.273 -10.031 0.791 1.00 11.84 C ATOM 206 C ILE A 13 0.242 -9.941 0.719 1.00 10.55 C ATOM 207 O ILE A 13 0.899 -9.012 1.239 1.00 11.92 O ATOM 208 CB ILE A 13 -1.924 -8.988 -0.079 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.268 -8.460 0.376 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.005 -9.544 -1.480 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.870 -7.412 -0.602 1.00 16.46 C ATOM 0 H ILE A 13 -1.792 -9.146 2.555 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.678 -10.944 0.355 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.291 -8.103 -0.017 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.963 -9.293 0.481 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.160 -8.009 1.362 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.473 -8.810 -2.136 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.001 -9.766 -1.842 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.599 -10.458 -1.475 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -4.833 -7.071 -0.222 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.192 -6.563 -0.688 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.008 -7.867 -1.583 1.00 16.46 H new ATOM 223 N THR A 14 0.872 -10.931 0.061 1.00 9.39 N ATOM 224 CA THR A 14 2.278 -11.042 -0.049 1.00 9.63 C ATOM 225 C THR A 14 2.596 -10.650 -1.451 1.00 11.20 C ATOM 226 O THR A 14 2.203 -11.231 -2.469 1.00 11.63 O ATOM 227 CB THR A 14 2.927 -12.407 0.325 1.00 10.38 C ATOM 228 OG1 THR A 14 2.688 -12.638 1.714 1.00 16.30 O ATOM 229 CG2 THR A 14 4.454 -12.409 0.119 1.00 11.66 C ATOM 0 H THR A 14 0.371 -11.683 -0.412 1.00 9.39 H new ATOM 0 HA THR A 14 2.719 -10.393 0.707 1.00 9.63 H new ATOM 0 HB THR A 14 2.491 -13.172 -0.317 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.086 -13.494 1.976 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.857 -13.384 0.394 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.680 -12.205 -0.928 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.907 -11.640 0.744 1.00 11.66 H new ATOM 237 N LEU A 15 3.294 -9.488 -1.581 1.00 8.29 N ATOM 238 CA LEU A 15 3.430 -8.874 -2.906 1.00 9.03 C ATOM 239 C LEU A 15 4.888 -8.834 -3.351 1.00 8.59 C ATOM 240 O LEU A 15 5.721 -8.449 -2.566 1.00 7.79 O ATOM 241 CB LEU A 15 2.943 -7.370 -2.885 1.00 11.08 C ATOM 242 CG LEU A 15 1.457 -7.106 -2.652 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.144 -5.640 -2.827 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.604 -8.030 -3.490 1.00 15.27 C ATOM 0 H LEU A 15 3.747 -8.987 -0.817 1.00 8.29 H new ATOM 0 HA LEU A 15 2.828 -9.480 -3.583 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.502 -6.848 -2.108 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.219 -6.915 -3.836 1.00 11.08 H new ATOM 0 HG LEU A 15 1.204 -7.341 -1.618 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.081 -5.472 -2.657 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.723 -5.056 -2.111 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.403 -5.331 -3.840 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.450 -7.821 -3.305 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.825 -7.872 -4.546 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.820 -9.065 -3.225 1.00 15.27 H new ATOM 256 N GLU A 16 5.184 -9.207 -4.598 1.00 11.04 N ATOM 257 CA GLU A 16 6.476 -9.031 -5.195 1.00 11.50 C ATOM 258 C GLU A 16 6.534 -7.749 -5.935 1.00 10.13 C ATOM 259 O GLU A 16 5.863 -7.457 -6.932 1.00 9.83 O ATOM 260 CB GLU A 16 6.745 -10.195 -6.149 1.00 17.22 C ATOM 261 CG GLU A 16 8.180 -10.324 -6.868 1.00 23.33 C ATOM 262 CD GLU A 16 9.278 -10.948 -5.979 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.162 -12.159 -5.758 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.153 -10.201 -5.545 1.00 28.90 O ATOM 0 H GLU A 16 4.506 -9.648 -5.220 1.00 11.04 H new ATOM 0 HA GLU A 16 7.235 -9.010 -4.413 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.576 -11.117 -5.593 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.990 -10.153 -6.934 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.070 -10.928 -7.769 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.505 -9.334 -7.186 1.00 23.33 H new ATOM 271 N VAL A 17 7.312 -6.819 -5.384 1.00 8.99 N ATOM 272 CA VAL A 17 7.356 -5.437 -5.831 1.00 8.85 C ATOM 273 C VAL A 17 8.730 -5.122 -6.293 1.00 8.04 C ATOM 274 O VAL A 17 9.628 -5.919 -6.216 1.00 8.99 O ATOM 275 CB VAL A 17 6.779 -4.475 -4.758 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.275 -4.828 -4.482 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.620 -4.329 -3.490 1.00 10.54 C ATOM 0 H VAL A 17 7.938 -7.013 -4.602 1.00 8.99 H new ATOM 0 HA VAL A 17 6.701 -5.288 -6.690 1.00 8.85 H new ATOM 0 HB VAL A 17 6.828 -3.471 -5.179 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.875 -4.150 -3.728 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.702 -4.725 -5.404 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.202 -5.854 -4.122 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.130 -3.636 -2.806 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.724 -5.301 -3.009 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.607 -3.945 -3.750 1.00 10.54 H new ATOM 287 N GLU A 18 8.978 -3.914 -6.816 1.00 7.29 N ATOM 288 CA GLU A 18 10.280 -3.325 -6.864 1.00 7.08 C ATOM 289 C GLU A 18 10.308 -2.235 -5.821 1.00 6.45 C ATOM 290 O GLU A 18 9.237 -1.694 -5.570 1.00 5.28 O ATOM 291 CB GLU A 18 10.580 -2.764 -8.295 1.00 10.28 C ATOM 292 CG GLU A 18 10.808 -3.922 -9.360 1.00 12.65 C ATOM 293 CD GLU A 18 12.129 -4.650 -9.082 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.209 -4.055 -9.100 1.00 18.17 O ATOM 295 OE2 GLU A 18 12.075 -5.876 -8.836 1.00 14.33 O ATOM 0 H GLU A 18 8.250 -3.325 -7.220 1.00 7.29 H new ATOM 0 HA GLU A 18 11.054 -4.064 -6.655 1.00 7.08 H new ATOM 0 HB2 GLU A 18 9.751 -2.135 -8.618 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.465 -2.129 -8.256 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.980 -4.630 -9.320 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.821 -3.503 -10.366 1.00 12.65 H new ATOM 302 N PRO A 19 11.444 -1.761 -5.298 1.00 7.24 N ATOM 303 CA PRO A 19 11.557 -0.578 -4.371 1.00 7.07 C ATOM 304 C PRO A 19 11.226 0.684 -5.129 1.00 6.65 C ATOM 305 O PRO A 19 11.049 1.791 -4.592 1.00 6.37 O ATOM 306 CB PRO A 19 12.989 -0.646 -3.915 1.00 7.61 C ATOM 307 CG PRO A 19 13.707 -1.350 -5.099 1.00 8.16 C ATOM 308 CD PRO A 19 12.757 -2.397 -5.515 1.00 7.49 C ATOM 0 HA PRO A 19 10.872 -0.585 -3.523 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.399 0.346 -3.728 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.090 -1.212 -2.989 1.00 7.61 H new ATOM 0 HG2 PRO A 19 13.915 -0.654 -5.911 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.662 -1.776 -4.791 1.00 8.16 H new ATOM 0 HD2 PRO A 19 12.900 -2.681 -6.558 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.869 -3.303 -4.920 1.00 7.49 H new ATOM 316 N SER A 20 11.107 0.644 -6.436 1.00 6.80 N ATOM 317 CA SER A 20 10.900 1.751 -7.348 1.00 6.28 C ATOM 318 C SER A 20 9.489 1.769 -7.847 1.00 8.45 C ATOM 319 O SER A 20 9.259 2.404 -8.856 1.00 7.26 O ATOM 320 CB SER A 20 11.867 1.654 -8.520 1.00 8.57 C ATOM 321 OG SER A 20 13.195 1.279 -8.123 1.00 11.13 O ATOM 0 H SER A 20 11.157 -0.244 -6.935 1.00 6.80 H new ATOM 0 HA SER A 20 11.088 2.679 -6.809 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.489 0.925 -9.237 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.905 2.615 -9.033 1.00 8.57 H new ATOM 0 HG SER A 20 13.771 1.230 -8.914 1.00 11.13 H new ATOM 327 N ASP A 21 8.559 1.043 -7.236 1.00 7.50 N ATOM 328 CA ASP A 21 7.193 1.081 -7.540 1.00 7.70 C ATOM 329 C ASP A 21 6.635 2.224 -6.790 1.00 7.08 C ATOM 330 O ASP A 21 6.943 2.557 -5.637 1.00 8.11 O ATOM 331 CB ASP A 21 6.505 -0.265 -7.249 1.00 11.00 C ATOM 332 CG ASP A 21 6.674 -1.317 -8.377 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.717 -0.951 -9.588 1.00 14.36 O ATOM 334 OD2 ASP A 21 6.756 -2.552 -8.041 1.00 18.03 O ATOM 0 H ASP A 21 8.781 0.391 -6.484 1.00 7.50 H new ATOM 0 HA ASP A 21 7.017 1.230 -8.605 1.00 7.70 H new ATOM 0 HB2 ASP A 21 6.907 -0.674 -6.322 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.442 -0.090 -7.086 1.00 11.00 H new ATOM 339 N THR A 22 5.714 3.028 -7.357 1.00 5.37 N ATOM 340 CA THR A 22 4.989 4.037 -6.648 1.00 6.01 C ATOM 341 C THR A 22 3.866 3.552 -5.728 1.00 8.01 C ATOM 342 O THR A 22 3.432 2.471 -5.977 1.00 8.11 O ATOM 343 CB THR A 22 4.333 5.090 -7.501 1.00 8.92 C ATOM 344 OG1 THR A 22 3.555 4.468 -8.545 1.00 10.22 O ATOM 345 CG2 THR A 22 5.487 5.862 -8.284 1.00 9.65 C ATOM 0 H THR A 22 5.466 2.972 -8.345 1.00 5.37 H new ATOM 0 HA THR A 22 5.820 4.442 -6.070 1.00 6.01 H new ATOM 0 HB THR A 22 3.721 5.727 -6.862 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.131 5.160 -9.094 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.046 6.635 -8.914 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.167 6.323 -7.568 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.038 5.158 -8.907 1.00 9.65 H new ATOM 353 N ILE A 23 3.366 4.282 -4.682 1.00 8.32 N ATOM 354 CA ILE A 23 2.206 3.787 -3.874 1.00 9.92 C ATOM 355 C ILE A 23 0.902 3.738 -4.720 1.00 10.01 C ATOM 356 O ILE A 23 -0.022 2.890 -4.486 1.00 8.71 O ATOM 357 CB ILE A 23 2.001 4.560 -2.526 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.405 4.847 -1.800 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.098 3.716 -1.586 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.241 3.626 -1.473 1.00 12.30 C ATOM 0 H ILE A 23 3.735 5.186 -4.386 1.00 8.32 H new ATOM 0 HA ILE A 23 2.457 2.766 -3.586 1.00 9.92 H new ATOM 0 HB ILE A 23 1.529 5.517 -2.746 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.994 5.507 -2.437 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.210 5.389 -0.874 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.952 4.249 -0.647 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.132 3.549 -2.063 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.575 2.756 -1.388 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.165 3.938 -0.986 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.682 2.970 -0.805 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.478 3.091 -2.392 1.00 12.30 H new ATOM 372 N GLU A 24 0.721 4.568 -5.788 1.00 9.54 N ATOM 373 CA GLU A 24 -0.250 4.295 -6.795 1.00 11.81 C ATOM 374 C GLU A 24 -0.001 2.888 -7.431 1.00 11.14 C ATOM 375 O GLU A 24 -0.907 2.058 -7.410 1.00 10.62 O ATOM 376 CB GLU A 24 -0.274 5.326 -7.887 1.00 19.24 C ATOM 377 CG GLU A 24 -1.327 5.102 -9.034 1.00 27.76 C ATOM 378 CD GLU A 24 -1.059 6.157 -10.091 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.086 6.407 -10.547 1.00 34.80 O ATOM 380 OE2 GLU A 24 -2.115 6.744 -10.475 1.00 36.51 O ATOM 0 H GLU A 24 1.255 5.424 -5.940 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.218 4.320 -6.294 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.463 6.299 -7.434 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.718 5.371 -8.337 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.232 4.101 -9.455 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.343 5.191 -8.648 1.00 27.76 H new ATOM 387 N ASN A 25 1.208 2.488 -7.890 1.00 9.43 N ATOM 388 CA ASN A 25 1.584 1.217 -8.529 1.00 10.96 C ATOM 389 C ASN A 25 1.284 0.032 -7.616 1.00 9.68 C ATOM 390 O ASN A 25 0.692 -0.970 -8.017 1.00 9.33 O ATOM 391 CB ASN A 25 3.071 1.189 -8.922 1.00 16.78 C ATOM 392 CG ASN A 25 3.376 0.101 -9.994 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.304 -1.087 -9.751 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.767 0.573 -11.147 1.00 24.70 N ATOM 0 H ASN A 25 2.015 3.108 -7.813 1.00 9.43 H new ATOM 0 HA ASN A 25 0.984 1.137 -9.435 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.362 2.167 -9.306 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.676 1.002 -8.035 1.00 16.78 H new ATOM 0 HD21 ASN A 25 4.030 -0.066 -11.897 1.00 24.70 H new ATOM 0 HD22 ASN A 25 3.809 1.581 -11.298 1.00 24.70 H new ATOM 401 N VAL A 26 1.678 0.149 -6.326 1.00 6.52 N ATOM 402 CA VAL A 26 1.398 -0.797 -5.322 1.00 5.53 C ATOM 403 C VAL A 26 -0.130 -0.956 -4.996 1.00 4.42 C ATOM 404 O VAL A 26 -0.668 -2.056 -4.797 1.00 3.40 O ATOM 405 CB VAL A 26 2.049 -0.450 -4.026 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.829 -1.481 -2.878 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.596 -0.473 -4.201 1.00 8.12 C ATOM 0 H VAL A 26 2.215 0.947 -5.986 1.00 6.52 H new ATOM 0 HA VAL A 26 1.788 -1.725 -5.741 1.00 5.53 H new ATOM 0 HB VAL A 26 1.609 0.513 -3.767 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.341 -1.139 -1.979 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.762 -1.577 -2.674 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.229 -2.450 -3.177 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.073 -0.219 -3.254 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.912 -1.469 -4.512 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.887 0.253 -4.960 1.00 8.12 H new ATOM 417 N LYS A 27 -0.905 0.160 -4.900 1.00 2.64 N ATOM 418 CA LYS A 27 -2.381 0.117 -4.764 1.00 4.14 C ATOM 419 C LYS A 27 -3.039 -0.421 -6.028 1.00 5.58 C ATOM 420 O LYS A 27 -4.020 -1.143 -5.958 1.00 4.11 O ATOM 421 CB LYS A 27 -2.943 1.484 -4.428 1.00 3.97 C ATOM 422 CG LYS A 27 -2.746 2.014 -3.015 1.00 7.45 C ATOM 423 CD LYS A 27 -3.575 3.331 -2.765 1.00 9.02 C ATOM 424 CE LYS A 27 -2.956 4.577 -3.408 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.914 5.739 -3.200 1.00 15.47 N ATOM 0 H LYS A 27 -0.523 1.106 -4.915 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.607 -0.562 -3.942 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.503 2.204 -5.118 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.014 1.463 -4.630 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.047 1.253 -2.296 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.688 2.212 -2.845 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.584 3.195 -3.154 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.667 3.494 -1.691 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -1.988 4.797 -2.958 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.783 4.411 -4.471 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.727 6.475 -3.911 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.893 5.403 -3.298 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.778 6.135 -2.248 1.00 15.47 H new ATOM 439 N ALA A 28 -2.450 -0.210 -7.163 1.00 6.61 N ATOM 440 CA ALA A 28 -2.866 -0.885 -8.377 1.00 7.74 C ATOM 441 C ALA A 28 -2.641 -2.419 -8.408 1.00 9.17 C ATOM 442 O ALA A 28 -3.478 -3.199 -8.855 1.00 11.45 O ATOM 443 CB ALA A 28 -2.087 -0.182 -9.556 1.00 7.68 C ATOM 0 H ALA A 28 -1.667 0.432 -7.286 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.949 -0.793 -8.459 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.360 -0.649 -10.502 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.348 0.876 -9.585 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.014 -0.286 -9.396 1.00 7.68 H new ATOM 449 N LYS A 29 -1.531 -2.876 -7.827 1.00 8.96 N ATOM 450 CA LYS A 29 -1.224 -4.281 -7.485 1.00 7.90 C ATOM 451 C LYS A 29 -2.179 -4.904 -6.457 1.00 6.92 C ATOM 452 O LYS A 29 -2.502 -6.028 -6.594 1.00 6.87 O ATOM 453 CB LYS A 29 0.197 -4.401 -7.036 1.00 10.28 C ATOM 454 CG LYS A 29 0.578 -5.856 -6.894 1.00 14.94 C ATOM 455 CD LYS A 29 2.120 -6.139 -7.111 1.00 19.69 C ATOM 456 CE LYS A 29 2.582 -6.179 -8.525 1.00 22.63 C ATOM 457 NZ LYS A 29 3.991 -6.186 -8.790 1.00 24.98 N ATOM 0 H LYS A 29 -0.773 -2.246 -7.564 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.373 -4.856 -8.399 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.856 -3.914 -7.755 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.330 -3.888 -6.083 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.292 -6.201 -5.901 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.006 -6.443 -7.613 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.688 -5.371 -6.585 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.364 -7.093 -6.643 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.155 -7.069 -8.987 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.154 -5.317 -9.037 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.171 -6.657 -9.700 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.341 -5.208 -8.831 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.484 -6.698 -8.031 1.00 24.98 H new ATOM 471 N ILE A 30 -2.590 -4.080 -5.426 1.00 4.57 N ATOM 472 CA ILE A 30 -3.634 -4.467 -4.519 1.00 5.58 C ATOM 473 C ILE A 30 -5.043 -4.448 -5.162 1.00 7.26 C ATOM 474 O ILE A 30 -5.871 -5.333 -4.805 1.00 9.46 O ATOM 475 CB ILE A 30 -3.651 -3.474 -3.368 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.385 -3.709 -2.533 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.884 -3.580 -2.417 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.144 -2.704 -1.415 1.00 2.00 C ATOM 0 H ILE A 30 -2.191 -3.160 -5.240 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.422 -5.488 -4.203 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.703 -2.482 -3.818 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.438 -4.706 -2.097 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.523 -3.698 -3.200 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.802 -2.830 -1.630 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.798 -3.411 -2.986 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.914 -4.574 -1.970 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.225 -2.960 -0.887 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.052 -1.704 -1.838 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.982 -2.728 -0.718 1.00 2.00 H new ATOM 490 N GLN A 31 -5.394 -3.543 -6.118 1.00 7.06 N ATOM 491 CA GLN A 31 -6.637 -3.541 -6.819 1.00 8.67 C ATOM 492 C GLN A 31 -6.709 -4.802 -7.667 1.00 10.90 C ATOM 493 O GLN A 31 -7.776 -5.374 -7.902 1.00 9.63 O ATOM 494 CB GLN A 31 -6.777 -2.262 -7.713 1.00 9.12 C ATOM 495 CG GLN A 31 -7.948 -2.192 -8.638 1.00 10.76 C ATOM 496 CD GLN A 31 -8.003 -1.053 -9.658 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.082 -0.339 -9.998 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.210 -1.026 -10.314 1.00 14.76 N ATOM 0 H GLN A 31 -4.775 -2.785 -6.405 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.460 -3.525 -6.105 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.816 -1.394 -7.055 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.870 -2.168 -8.311 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.993 -3.132 -9.188 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.850 -2.135 -8.028 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.969 -1.635 -10.010 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.347 -0.397 -11.105 1.00 14.76 H new ATOM 507 N ASP A 32 -5.550 -5.213 -8.241 1.00 10.93 N ATOM 508 CA ASP A 32 -5.284 -6.444 -8.985 1.00 14.01 C ATOM 509 C ASP A 32 -5.677 -7.685 -8.180 1.00 14.04 C ATOM 510 O ASP A 32 -6.358 -8.512 -8.683 1.00 13.39 O ATOM 511 CB ASP A 32 -3.878 -6.548 -9.499 1.00 18.01 C ATOM 512 CG ASP A 32 -3.753 -7.436 -10.744 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.611 -7.289 -11.638 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.861 -8.287 -10.811 1.00 26.29 O ATOM 0 H ASP A 32 -4.713 -4.633 -8.183 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.920 -6.395 -9.869 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.509 -5.550 -9.734 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.239 -6.946 -8.711 1.00 18.01 H new ATOM 519 N LYS A 33 -5.286 -7.755 -6.873 1.00 14.22 N ATOM 520 CA LYS A 33 -5.652 -8.815 -5.920 1.00 14.00 C ATOM 521 C LYS A 33 -7.037 -8.696 -5.343 1.00 12.37 C ATOM 522 O LYS A 33 -7.838 -9.628 -5.508 1.00 12.17 O ATOM 523 CB LYS A 33 -4.531 -8.892 -4.810 1.00 18.62 C ATOM 524 CG LYS A 33 -4.632 -10.036 -3.870 1.00 24.00 C ATOM 525 CD LYS A 33 -4.295 -11.369 -4.572 1.00 27.61 C ATOM 526 CE LYS A 33 -2.815 -11.580 -4.802 1.00 27.64 C ATOM 527 NZ LYS A 33 -2.731 -12.845 -5.472 1.00 30.06 N ATOM 0 H LYS A 33 -4.687 -7.044 -6.453 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.700 -9.755 -6.469 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -3.560 -8.936 -5.303 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.554 -7.968 -4.232 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.953 -9.882 -3.032 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -5.640 -10.084 -3.459 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -4.681 -12.193 -3.972 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -4.811 -11.404 -5.531 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -2.390 -10.781 -5.409 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -2.265 -11.592 -3.861 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -1.734 -13.068 -5.669 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -3.138 -13.586 -4.867 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -3.259 -12.800 -6.367 1.00 30.06 H new ATOM 541 N GLU A 34 -7.411 -7.590 -4.673 1.00 10.11 N ATOM 542 CA GLU A 34 -8.690 -7.491 -3.902 1.00 10.07 C ATOM 543 C GLU A 34 -9.807 -6.697 -4.596 1.00 9.32 C ATOM 544 O GLU A 34 -10.912 -6.632 -4.053 1.00 11.61 O ATOM 545 CB GLU A 34 -8.489 -6.837 -2.476 1.00 14.77 C ATOM 546 CG GLU A 34 -7.253 -7.358 -1.782 1.00 18.75 C ATOM 547 CD GLU A 34 -7.574 -8.747 -1.272 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.194 -8.804 -0.181 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.260 -9.754 -1.962 1.00 25.19 O ATOM 0 H GLU A 34 -6.849 -6.740 -4.643 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.997 -8.534 -3.823 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -8.416 -5.754 -2.581 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.364 -7.039 -1.858 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.409 -7.387 -2.471 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.970 -6.702 -0.959 1.00 18.75 H new ATOM 556 N GLY A 35 -9.561 -6.183 -5.785 1.00 7.22 N ATOM 557 CA GLY A 35 -10.582 -5.535 -6.577 1.00 6.29 C ATOM 558 C GLY A 35 -10.991 -4.151 -6.039 1.00 6.93 C ATOM 559 O GLY A 35 -11.973 -3.546 -6.561 1.00 7.41 O ATOM 0 H GLY A 35 -8.643 -6.204 -6.229 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.223 -5.426 -7.600 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.463 -6.176 -6.615 1.00 6.29 H new ATOM 563 N ILE A 36 -10.304 -3.608 -5.012 1.00 5.86 N ATOM 564 CA ILE A 36 -10.683 -2.368 -4.406 1.00 6.07 C ATOM 565 C ILE A 36 -10.050 -1.164 -5.099 1.00 6.36 C ATOM 566 O ILE A 36 -8.833 -1.260 -5.412 1.00 6.18 O ATOM 567 CB ILE A 36 -10.464 -2.371 -2.892 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.949 -3.595 -2.160 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.952 -1.039 -2.185 1.00 7.36 C ATOM 570 CD1 ILE A 36 -10.175 -3.904 -0.841 1.00 9.49 C ATOM 0 H ILE A 36 -9.476 -4.036 -4.599 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.758 -2.264 -4.553 1.00 6.07 H new ATOM 0 HB ILE A 36 -9.378 -2.413 -2.811 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -12.006 -3.469 -1.926 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.870 -4.456 -2.824 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.768 -1.108 -1.113 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.406 -0.189 -2.594 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -12.019 -0.903 -2.362 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -10.588 -4.800 -0.378 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -9.121 -4.065 -1.067 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -10.275 -3.063 -0.155 1.00 9.49 H new ATOM 582 N PRO A 37 -10.749 -0.016 -5.453 1.00 8.65 N ATOM 583 CA PRO A 37 -10.257 1.180 -6.120 1.00 9.18 C ATOM 584 C PRO A 37 -9.062 1.843 -5.388 1.00 9.85 C ATOM 585 O PRO A 37 -9.160 2.023 -4.162 1.00 8.51 O ATOM 586 CB PRO A 37 -11.533 2.161 -6.152 1.00 11.42 C ATOM 587 CG PRO A 37 -12.686 1.150 -6.253 1.00 9.27 C ATOM 588 CD PRO A 37 -12.206 0.111 -5.246 1.00 8.33 C ATOM 0 HA PRO A 37 -9.866 0.946 -7.110 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.602 2.775 -5.254 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.507 2.842 -7.003 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.648 1.584 -5.979 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.795 0.740 -7.257 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.429 0.424 -4.226 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.707 -0.844 -5.403 1.00 8.33 H new ATOM 596 N PRO A 38 -7.944 2.180 -6.050 1.00 8.71 N ATOM 597 CA PRO A 38 -6.840 2.966 -5.484 1.00 9.08 C ATOM 598 C PRO A 38 -7.234 4.308 -4.920 1.00 9.28 C ATOM 599 O PRO A 38 -6.533 4.786 -4.002 1.00 6.50 O ATOM 600 CB PRO A 38 -5.800 3.082 -6.645 1.00 10.31 C ATOM 601 CG PRO A 38 -6.163 1.916 -7.546 1.00 10.81 C ATOM 602 CD PRO A 38 -7.620 1.651 -7.399 1.00 12.00 C ATOM 0 HA PRO A 38 -6.435 2.466 -4.604 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.882 4.036 -7.166 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.776 3.006 -6.279 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.922 2.148 -8.583 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.586 1.032 -7.274 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.198 2.153 -8.175 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.842 0.587 -7.475 1.00 12.00 H new ATOM 610 N ASP A 39 -8.343 4.879 -5.305 1.00 11.20 N ATOM 611 CA ASP A 39 -8.839 6.038 -4.594 1.00 14.96 C ATOM 612 C ASP A 39 -9.477 5.732 -3.194 1.00 13.99 C ATOM 613 O ASP A 39 -9.607 6.724 -2.438 1.00 13.75 O ATOM 614 CB ASP A 39 -9.965 6.775 -5.416 1.00 24.16 C ATOM 615 CG ASP A 39 -9.562 6.954 -6.926 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.577 7.672 -7.132 1.00 34.22 O ATOM 617 OD2 ASP A 39 -10.294 6.403 -7.765 1.00 35.55 O ATOM 0 H ASP A 39 -8.915 4.572 -6.092 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.945 6.646 -4.456 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.893 6.207 -5.352 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.158 7.752 -4.973 1.00 24.16 H new ATOM 622 N GLN A 40 -9.860 4.517 -2.832 1.00 11.60 N ATOM 623 CA GLN A 40 -10.494 4.122 -1.586 1.00 10.76 C ATOM 624 C GLN A 40 -9.651 3.301 -0.693 1.00 8.01 C ATOM 625 O GLN A 40 -9.979 3.176 0.496 1.00 8.96 O ATOM 626 CB GLN A 40 -11.810 3.437 -1.925 1.00 11.14 C ATOM 627 CG GLN A 40 -12.981 4.457 -2.085 1.00 14.85 C ATOM 628 CD GLN A 40 -14.349 3.784 -2.234 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.783 2.929 -1.452 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.019 4.183 -3.328 1.00 18.16 N ATOM 0 H GLN A 40 -9.724 3.719 -3.453 1.00 11.60 H new ATOM 0 HA GLN A 40 -10.669 5.025 -1.001 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.695 2.870 -2.849 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.058 2.722 -1.141 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.000 5.118 -1.218 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.793 5.082 -2.958 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.617 4.892 -3.942 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.929 3.777 -3.545 1.00 18.16 H new ATOM 639 N GLN A 41 -8.475 2.801 -1.226 1.00 6.52 N ATOM 640 CA GLN A 41 -7.405 2.352 -0.407 1.00 3.87 C ATOM 641 C GLN A 41 -6.514 3.454 0.237 1.00 4.79 C ATOM 642 O GLN A 41 -5.886 4.330 -0.392 1.00 6.34 O ATOM 643 CB GLN A 41 -6.526 1.565 -1.434 1.00 4.20 C ATOM 644 CG GLN A 41 -7.139 0.239 -1.954 1.00 3.20 C ATOM 645 CD GLN A 41 -6.081 -0.233 -2.941 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.909 -0.408 -2.556 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.405 -0.415 -4.242 1.00 7.13 N ATOM 0 H GLN A 41 -8.297 2.721 -2.227 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.803 1.808 0.449 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.326 2.213 -2.288 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.565 1.344 -0.970 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.297 -0.480 -1.150 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -8.104 0.397 -2.435 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.366 -0.271 -4.553 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.689 -0.696 -4.911 1.00 7.13 H new ATOM 656 N ARG A 42 -6.295 3.315 1.515 1.00 5.73 N ATOM 657 CA ARG A 42 -5.280 4.058 2.172 1.00 6.97 C ATOM 658 C ARG A 42 -4.290 3.165 2.847 1.00 7.15 C ATOM 659 O ARG A 42 -4.639 2.354 3.739 1.00 7.33 O ATOM 660 CB ARG A 42 -5.853 4.880 3.362 1.00 13.23 C ATOM 661 CG ARG A 42 -6.538 6.166 2.832 1.00 21.27 C ATOM 662 CD ARG A 42 -7.019 6.936 4.076 1.00 26.14 C ATOM 663 NE ARG A 42 -7.579 8.282 3.626 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.216 9.110 4.470 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.373 8.939 5.772 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.789 10.221 4.042 1.00 36.39 N ATOM 0 H ARG A 42 -6.819 2.683 2.121 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.842 4.675 1.388 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.571 4.278 3.919 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.052 5.142 4.053 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.841 6.766 2.247 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.374 5.921 2.178 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.783 6.365 4.603 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.194 7.083 4.773 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.466 8.562 2.652 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -7.990 8.111 6.227 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -8.877 9.635 6.321 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.753 10.465 3.052 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.267 10.835 4.701 1.00 36.39 H new ATOM 680 N LEU A 43 -2.979 3.262 2.481 1.00 4.65 N ATOM 681 CA LEU A 43 -1.886 2.472 3.016 1.00 3.51 C ATOM 682 C LEU A 43 -1.159 3.189 4.167 1.00 5.56 C ATOM 683 O LEU A 43 -0.750 4.345 4.223 1.00 4.19 O ATOM 684 CB LEU A 43 -0.941 1.984 1.886 1.00 3.74 C ATOM 685 CG LEU A 43 -1.545 0.901 0.959 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.722 0.831 -0.353 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.751 -0.495 1.630 1.00 6.41 C ATOM 0 H LEU A 43 -2.667 3.928 1.774 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.309 1.574 3.466 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.650 2.841 1.279 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.031 1.590 2.337 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.564 1.210 0.724 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.145 0.069 -1.008 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.753 1.798 -0.854 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.312 0.576 -0.121 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.178 -1.188 0.905 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.791 -0.878 1.976 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.428 -0.395 2.478 1.00 6.41 H new ATOM 699 N ILE A 44 -0.887 2.431 5.266 1.00 4.58 N ATOM 700 CA ILE A 44 -0.418 2.908 6.584 1.00 5.55 C ATOM 701 C ILE A 44 0.920 2.255 6.873 1.00 5.46 C ATOM 702 O ILE A 44 1.136 1.128 6.561 1.00 6.04 O ATOM 703 CB ILE A 44 -1.468 2.591 7.597 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.903 2.961 7.265 1.00 10.31 C ATOM 705 CG2 ILE A 44 -1.037 2.997 9.017 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.134 4.451 7.020 1.00 13.90 C ATOM 0 H ILE A 44 -0.997 1.417 5.247 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.263 3.987 6.609 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.526 1.503 7.558 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.211 2.408 6.378 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.547 2.636 8.082 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.830 2.749 9.723 1.00 7.39 H new ATOM 0 HG22 ILE A 44 -0.128 2.460 9.289 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.847 4.070 9.047 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.185 4.623 6.790 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.861 5.013 7.913 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.520 4.781 6.182 1.00 13.90 H new ATOM 718 N PHE A 45 1.900 2.982 7.476 1.00 6.75 N ATOM 719 CA PHE A 45 3.215 2.544 7.851 1.00 4.70 C ATOM 720 C PHE A 45 3.818 3.644 8.735 1.00 6.34 C ATOM 721 O PHE A 45 4.040 4.767 8.327 1.00 5.45 O ATOM 722 CB PHE A 45 4.033 2.333 6.584 1.00 5.51 C ATOM 723 CG PHE A 45 5.534 2.073 6.835 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.885 0.779 7.149 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.486 3.098 6.536 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.257 0.457 7.173 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.852 2.742 6.531 1.00 6.64 C ATOM 728 CZ PHE A 45 8.218 1.456 6.875 1.00 6.84 C ATOM 0 H PHE A 45 1.749 3.961 7.718 1.00 6.75 H new ATOM 0 HA PHE A 45 3.200 1.603 8.402 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.617 1.490 6.033 1.00 5.51 H new ATOM 0 HB3 PHE A 45 3.930 3.212 5.948 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.134 0.035 7.370 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.171 4.108 6.322 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.575 -0.546 7.417 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.604 3.469 6.261 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.267 1.204 6.918 1.00 6.84 H new ATOM 738 N ALA A 46 3.997 3.401 10.026 1.00 6.53 N ATOM 739 CA ALA A 46 4.896 4.149 10.908 1.00 7.15 C ATOM 740 C ALA A 46 4.352 5.463 11.367 1.00 9.00 C ATOM 741 O ALA A 46 5.059 6.464 11.382 1.00 11.15 O ATOM 742 CB ALA A 46 6.345 4.258 10.333 1.00 8.99 C ATOM 0 H ALA A 46 3.504 2.651 10.510 1.00 6.53 H new ATOM 0 HA ALA A 46 4.965 3.549 11.815 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.970 4.822 11.026 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.760 3.259 10.201 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.317 4.770 9.371 1.00 8.99 H new ATOM 748 N GLY A 47 3.070 5.515 11.665 1.00 9.35 N ATOM 749 CA GLY A 47 2.396 6.771 12.128 1.00 11.68 C ATOM 750 C GLY A 47 1.970 7.590 11.009 1.00 11.14 C ATOM 751 O GLY A 47 1.592 8.728 11.240 1.00 13.93 O ATOM 0 H GLY A 47 2.446 4.710 11.603 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.533 6.516 12.743 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.079 7.341 12.758 1.00 11.68 H new ATOM 755 N LYS A 48 1.963 7.132 9.754 1.00 10.47 N ATOM 756 CA LYS A 48 1.759 8.023 8.643 1.00 8.82 C ATOM 757 C LYS A 48 1.133 7.258 7.422 1.00 7.68 C ATOM 758 O LYS A 48 1.233 6.039 7.376 1.00 6.47 O ATOM 759 CB LYS A 48 3.124 8.745 8.280 1.00 9.74 C ATOM 760 CG LYS A 48 4.260 7.845 7.881 1.00 14.14 C ATOM 761 CD LYS A 48 5.562 8.532 7.490 1.00 16.32 C ATOM 762 CE LYS A 48 6.340 9.158 8.636 1.00 20.04 C ATOM 763 NZ LYS A 48 6.784 8.164 9.652 1.00 23.92 N ATOM 0 H LYS A 48 2.097 6.154 9.498 1.00 10.47 H new ATOM 0 HA LYS A 48 1.042 8.796 8.921 1.00 8.82 H new ATOM 0 HB2 LYS A 48 2.937 9.444 7.465 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.439 9.336 9.140 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.466 7.167 8.709 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.932 7.232 7.042 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.203 7.803 6.994 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.338 9.309 6.759 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.213 9.674 8.236 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.719 9.911 9.121 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 7.393 8.632 10.353 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 5.953 7.761 10.130 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.316 7.403 9.184 1.00 23.92 H new ATOM 777 N GLN A 49 0.617 8.042 6.499 1.00 8.89 N ATOM 778 CA GLN A 49 -0.117 7.606 5.337 1.00 7.18 C ATOM 779 C GLN A 49 0.705 7.704 4.134 1.00 8.23 C ATOM 780 O GLN A 49 1.174 8.800 3.798 1.00 9.70 O ATOM 781 CB GLN A 49 -1.382 8.413 5.093 1.00 11.67 C ATOM 782 CG GLN A 49 -2.383 7.895 4.029 1.00 15.82 C ATOM 783 CD GLN A 49 -3.619 8.833 3.961 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.307 8.986 5.006 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.959 9.436 2.817 1.00 20.67 N ATOM 0 H GLN A 49 0.705 9.057 6.545 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.393 6.572 5.542 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.914 8.494 6.041 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.084 9.422 4.808 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.898 7.848 3.054 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.698 6.882 4.277 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.391 9.301 1.981 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.787 10.031 2.781 1.00 20.67 H new ATOM 794 N LEU A 50 0.911 6.559 3.386 1.00 6.51 N ATOM 795 CA LEU A 50 1.659 6.517 2.133 1.00 7.41 C ATOM 796 C LEU A 50 0.972 7.330 0.986 1.00 8.27 C ATOM 797 O LEU A 50 -0.243 7.558 0.910 1.00 8.34 O ATOM 798 CB LEU A 50 1.886 5.047 1.754 1.00 7.13 C ATOM 799 CG LEU A 50 2.549 4.126 2.797 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.974 2.820 2.132 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.816 4.757 3.373 1.00 9.11 C ATOM 0 H LEU A 50 0.547 5.648 3.665 1.00 6.51 H new ATOM 0 HA LEU A 50 2.622 7.007 2.279 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.919 4.616 1.494 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.498 5.025 0.852 1.00 7.13 H new ATOM 0 HG LEU A 50 1.819 3.959 3.589 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.442 2.171 2.872 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.099 2.322 1.715 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.685 3.033 1.334 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.258 4.081 4.105 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.530 4.939 2.569 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.565 5.701 3.856 1.00 9.11 H new ATOM 813 N GLU A 51 1.809 7.863 0.082 1.00 9.43 N ATOM 814 CA GLU A 51 1.339 8.788 -0.964 1.00 11.90 C ATOM 815 C GLU A 51 1.665 8.249 -2.345 1.00 11.49 C ATOM 816 O GLU A 51 2.770 7.788 -2.622 1.00 9.88 O ATOM 817 CB GLU A 51 1.953 10.184 -0.671 1.00 16.56 C ATOM 818 CG GLU A 51 1.332 11.387 -1.435 1.00 26.06 C ATOM 819 CD GLU A 51 2.188 12.534 -1.358 1.00 29.86 C ATOM 820 OE1 GLU A 51 3.071 12.665 -2.236 1.00 32.13 O ATOM 821 OE2 GLU A 51 2.102 13.377 -0.394 1.00 33.44 O ATOM 0 H GLU A 51 2.810 7.671 0.053 1.00 9.43 H new ATOM 0 HA GLU A 51 0.254 8.886 -0.951 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.867 10.377 0.398 1.00 16.56 H new ATOM 0 HB3 GLU A 51 3.017 10.145 -0.903 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.171 11.117 -2.479 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.356 11.627 -1.013 1.00 26.06 H new ATOM 828 N ASP A 52 0.656 8.393 -3.306 1.00 12.71 N ATOM 829 CA ASP A 52 0.562 7.883 -4.657 1.00 16.56 C ATOM 830 C ASP A 52 1.773 8.190 -5.534 1.00 15.83 C ATOM 831 O ASP A 52 2.237 7.302 -6.198 1.00 17.21 O ATOM 832 CB ASP A 52 -0.688 8.545 -5.364 1.00 21.05 C ATOM 833 CG ASP A 52 -1.890 8.109 -4.592 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.073 8.514 -3.413 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.787 7.390 -5.157 1.00 25.82 O ATOM 0 H ASP A 52 -0.177 8.936 -3.077 1.00 12.71 H new ATOM 0 HA ASP A 52 0.486 6.800 -4.559 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.602 9.632 -5.367 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.759 8.228 -6.404 1.00 21.05 H new ATOM 840 N GLY A 53 2.306 9.441 -5.446 1.00 15.00 N ATOM 841 CA GLY A 53 3.452 9.935 -6.286 1.00 11.77 C ATOM 842 C GLY A 53 4.811 9.762 -5.732 1.00 11.10 C ATOM 843 O GLY A 53 5.785 10.439 -6.150 1.00 11.25 O ATOM 0 H GLY A 53 1.957 10.142 -4.792 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.411 9.426 -7.249 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.297 10.996 -6.480 1.00 11.77 H new ATOM 847 N ARG A 54 4.932 8.915 -4.724 1.00 8.53 N ATOM 848 CA ARG A 54 6.233 8.621 -4.195 1.00 9.05 C ATOM 849 C ARG A 54 6.472 7.149 -4.221 1.00 8.96 C ATOM 850 O ARG A 54 5.511 6.327 -4.274 1.00 11.60 O ATOM 851 CB ARG A 54 6.352 9.065 -2.698 1.00 7.97 C ATOM 852 CG ARG A 54 5.672 10.362 -2.311 1.00 9.62 C ATOM 853 CD ARG A 54 6.126 10.975 -0.985 1.00 12.20 C ATOM 854 NE ARG A 54 5.262 12.136 -0.747 1.00 18.23 N ATOM 855 CZ ARG A 54 5.384 12.863 0.359 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.425 12.764 1.177 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.441 13.675 0.769 1.00 23.38 N ATOM 0 H ARG A 54 4.157 8.432 -4.270 1.00 8.53 H new ATOM 0 HA ARG A 54 6.956 9.158 -4.809 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.944 8.269 -2.075 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.411 9.151 -2.453 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.840 11.091 -3.104 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.597 10.187 -2.261 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.038 10.253 -0.173 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.173 11.274 -1.034 1.00 12.20 H new ATOM 0 HE ARG A 54 4.558 12.389 -1.440 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.177 12.108 0.968 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.473 13.344 2.014 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.577 13.765 0.234 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.571 14.217 1.623 1.00 23.38 H new ATOM 871 N THR A 55 7.790 6.722 -4.087 1.00 9.05 N ATOM 872 CA THR A 55 8.189 5.333 -4.068 1.00 9.03 C ATOM 873 C THR A 55 8.504 4.701 -2.724 1.00 8.15 C ATOM 874 O THR A 55 8.809 5.387 -1.771 1.00 5.91 O ATOM 875 CB THR A 55 9.252 5.016 -5.117 1.00 11.15 C ATOM 876 OG1 THR A 55 10.511 5.575 -4.758 1.00 11.95 O ATOM 877 CG2 THR A 55 8.842 5.606 -6.467 1.00 11.71 C ATOM 0 H THR A 55 8.573 7.369 -3.992 1.00 9.05 H new ATOM 0 HA THR A 55 7.260 4.834 -4.342 1.00 9.03 H new ATOM 0 HB THR A 55 9.340 3.931 -5.179 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.374 6.457 -4.353 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.605 5.376 -7.211 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.890 5.176 -6.778 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.739 6.687 -6.375 1.00 11.71 H new ATOM 885 N LEU A 56 8.387 3.367 -2.611 1.00 6.91 N ATOM 886 CA LEU A 56 8.772 2.525 -1.502 1.00 8.29 C ATOM 887 C LEU A 56 10.196 2.800 -1.030 1.00 8.05 C ATOM 888 O LEU A 56 10.433 2.813 0.171 1.00 10.17 O ATOM 889 CB LEU A 56 8.657 1.054 -1.947 1.00 6.60 C ATOM 890 CG LEU A 56 7.215 0.601 -2.271 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.167 -0.883 -2.659 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.230 0.874 -1.102 1.00 8.64 C ATOM 0 H LEU A 56 7.983 2.817 -3.369 1.00 6.91 H new ATOM 0 HA LEU A 56 8.108 2.739 -0.665 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.280 0.903 -2.829 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.058 0.416 -1.160 1.00 6.60 H new ATOM 0 HG LEU A 56 6.894 1.200 -3.124 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.138 -1.168 -2.880 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.787 -1.049 -3.540 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.541 -1.487 -1.833 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.232 0.537 -1.381 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.560 0.334 -0.215 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.206 1.943 -0.888 1.00 8.64 H new ATOM 904 N SER A 57 11.157 3.088 -1.955 1.00 8.92 N ATOM 905 CA SER A 57 12.441 3.565 -1.539 1.00 9.00 C ATOM 906 C SER A 57 12.486 4.892 -0.850 1.00 9.44 C ATOM 907 O SER A 57 13.184 5.053 0.137 1.00 10.91 O ATOM 908 CB SER A 57 13.223 3.774 -2.911 1.00 10.32 C ATOM 909 OG SER A 57 14.639 4.105 -2.734 1.00 13.59 O ATOM 0 H SER A 57 11.039 2.990 -2.963 1.00 8.92 H new ATOM 0 HA SER A 57 12.834 2.849 -0.817 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.143 2.865 -3.507 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.740 4.571 -3.477 1.00 10.32 H new ATOM 0 HG SER A 57 15.061 4.219 -3.611 1.00 13.59 H new ATOM 915 N ASP A 58 11.648 5.882 -1.266 1.00 9.11 N ATOM 916 CA ASP A 58 11.601 7.217 -0.681 1.00 7.91 C ATOM 917 C ASP A 58 11.089 7.152 0.739 1.00 9.12 C ATOM 918 O ASP A 58 11.292 8.006 1.624 1.00 8.61 O ATOM 919 CB ASP A 58 10.619 8.179 -1.401 1.00 8.41 C ATOM 920 CG ASP A 58 11.103 8.380 -2.791 1.00 11.50 C ATOM 921 OD1 ASP A 58 12.186 8.983 -3.084 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.310 8.088 -3.731 1.00 11.70 O ATOM 0 H ASP A 58 10.984 5.755 -2.029 1.00 9.11 H new ATOM 0 HA ASP A 58 12.624 7.586 -0.762 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.612 7.761 -1.406 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.566 9.132 -0.875 1.00 8.41 H new ATOM 927 N TYR A 59 10.251 6.132 1.066 1.00 7.97 N ATOM 928 CA TYR A 59 9.824 5.828 2.458 1.00 8.45 C ATOM 929 C TYR A 59 10.718 4.867 3.191 1.00 10.98 C ATOM 930 O TYR A 59 10.542 4.584 4.382 1.00 12.95 O ATOM 931 CB TYR A 59 8.459 5.072 2.342 1.00 7.94 C ATOM 932 CG TYR A 59 7.300 5.981 2.051 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.940 6.887 3.062 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.553 5.912 0.894 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.953 7.883 2.852 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.635 6.954 0.621 1.00 6.52 C ATOM 937 CZ TYR A 59 5.290 7.903 1.583 1.00 6.76 C ATOM 938 OH TYR A 59 4.409 8.982 1.343 1.00 7.63 O ATOM 0 H TYR A 59 9.853 5.498 0.373 1.00 7.97 H new ATOM 0 HA TYR A 59 9.814 6.775 2.997 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.532 4.324 1.553 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.268 4.537 3.272 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.427 6.823 4.024 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.666 5.082 0.212 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.710 8.601 3.622 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.189 7.016 -0.361 1.00 6.52 H new ATOM 0 HH TYR A 59 4.717 9.771 1.835 1.00 7.63 H new ATOM 948 N ASN A 60 11.750 4.303 2.579 1.00 12.38 N ATOM 949 CA ASN A 60 12.572 3.169 3.104 1.00 13.94 C ATOM 950 C ASN A 60 11.764 2.001 3.510 1.00 14.16 C ATOM 951 O ASN A 60 11.938 1.491 4.596 1.00 14.26 O ATOM 952 CB ASN A 60 13.484 3.593 4.252 1.00 19.23 C ATOM 953 CG ASN A 60 14.341 4.819 3.846 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.112 5.950 4.272 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.378 4.564 3.040 1.00 24.09 N ATOM 0 H ASN A 60 12.068 4.620 1.663 1.00 12.38 H new ATOM 0 HA ASN A 60 13.193 2.864 2.262 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.884 3.837 5.129 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.135 2.764 4.531 1.00 19.23 H new ATOM 0 HD21 ASN A 60 16.006 5.319 2.762 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.541 3.615 2.704 1.00 24.09 H new ATOM 962 N ILE A 61 10.820 1.547 2.591 1.00 11.08 N ATOM 963 CA ILE A 61 10.097 0.349 2.778 1.00 11.78 C ATOM 964 C ILE A 61 10.877 -0.759 2.041 1.00 13.74 C ATOM 965 O ILE A 61 11.366 -0.632 0.917 1.00 14.60 O ATOM 966 CB ILE A 61 8.697 0.489 2.258 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.824 1.365 3.213 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.021 -0.916 2.148 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.655 2.032 2.581 1.00 11.42 C ATOM 0 H ILE A 61 10.588 2.042 1.730 1.00 11.08 H new ATOM 0 HA ILE A 61 10.004 0.102 3.836 1.00 11.78 H new ATOM 0 HB ILE A 61 8.761 0.965 1.279 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.465 0.736 4.027 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.460 2.130 3.658 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.005 -0.802 1.770 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.594 -1.543 1.466 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.991 -1.384 3.132 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.119 2.613 3.331 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.999 2.694 1.787 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.989 1.278 2.162 1.00 11.42 H new ATOM 981 N GLN A 62 11.138 -1.856 2.735 1.00 13.97 N ATOM 982 CA GLN A 62 12.231 -2.791 2.430 1.00 15.52 C ATOM 983 C GLN A 62 11.730 -4.181 2.388 1.00 13.94 C ATOM 984 O GLN A 62 10.587 -4.472 2.714 1.00 12.15 O ATOM 985 CB GLN A 62 13.364 -2.537 3.468 1.00 19.53 C ATOM 986 CG GLN A 62 14.074 -1.228 3.222 1.00 26.38 C ATOM 987 CD GLN A 62 14.914 -0.939 4.441 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.429 -0.462 5.515 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.241 -1.214 4.344 1.00 32.71 N ATOM 0 H GLN A 62 10.587 -2.135 3.547 1.00 13.97 H new ATOM 0 HA GLN A 62 12.648 -2.625 1.437 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.942 -2.537 4.473 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.085 -3.354 3.425 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.698 -1.291 2.331 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.355 -0.427 3.052 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.621 -1.597 3.478 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.858 -1.038 5.137 1.00 32.71 H new ATOM 998 N LYS A 63 12.626 -5.097 1.966 1.00 11.73 N ATOM 999 CA LYS A 63 12.413 -6.519 1.846 1.00 11.97 C ATOM 1000 C LYS A 63 11.907 -7.193 3.125 1.00 10.41 C ATOM 1001 O LYS A 63 12.570 -7.251 4.142 1.00 9.59 O ATOM 1002 CB LYS A 63 13.803 -7.121 1.407 1.00 13.73 C ATOM 1003 CG LYS A 63 13.788 -8.647 1.465 1.00 16.98 C ATOM 1004 CD LYS A 63 15.156 -9.287 1.003 1.00 20.19 C ATOM 1005 CE LYS A 63 15.409 -10.746 1.339 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.832 -11.143 1.080 1.00 25.97 N ATOM 0 H LYS A 63 13.569 -4.827 1.688 1.00 11.73 H new ATOM 0 HA LYS A 63 11.621 -6.705 1.121 1.00 11.97 H new ATOM 0 HB2 LYS A 63 14.039 -6.795 0.394 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.590 -6.738 2.057 1.00 13.73 H new ATOM 0 HG2 LYS A 63 13.568 -8.966 2.484 1.00 16.98 H new ATOM 0 HG3 LYS A 63 12.984 -9.023 0.833 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.228 -9.176 -0.079 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.964 -8.699 1.438 1.00 20.19 H new ATOM 0 HE2 LYS A 63 15.168 -10.924 2.387 1.00 23.42 H new ATOM 0 HE3 LYS A 63 14.744 -11.375 0.748 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.962 -12.146 1.322 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.055 -10.998 0.075 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.466 -10.561 1.663 1.00 25.97 H new ATOM 1020 N GLU A 64 10.677 -7.700 3.002 1.00 10.04 N ATOM 1021 CA GLU A 64 9.928 -8.345 4.075 1.00 10.94 C ATOM 1022 C GLU A 64 9.560 -7.298 5.196 1.00 9.74 C ATOM 1023 O GLU A 64 9.609 -7.503 6.412 1.00 9.42 O ATOM 1024 CB GLU A 64 10.509 -9.695 4.435 1.00 18.31 C ATOM 1025 CG GLU A 64 10.739 -10.749 3.298 1.00 24.16 C ATOM 1026 CD GLU A 64 11.512 -12.047 3.682 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.708 -12.299 4.905 1.00 32.61 O ATOM 1028 OE2 GLU A 64 11.844 -12.829 2.830 1.00 31.72 O ATOM 0 H GLU A 64 10.162 -7.670 2.122 1.00 10.04 H new ATOM 0 HA GLU A 64 8.936 -8.664 3.757 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.468 -9.521 4.922 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.852 -10.149 5.177 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.765 -11.039 2.903 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.279 -10.260 2.487 1.00 24.16 H new ATOM 1035 N SER A 65 9.207 -6.153 4.739 1.00 6.85 N ATOM 1036 CA SER A 65 8.577 -5.113 5.550 1.00 6.90 C ATOM 1037 C SER A 65 7.080 -5.046 5.409 1.00 4.72 C ATOM 1038 O SER A 65 6.557 -5.492 4.410 1.00 3.91 O ATOM 1039 CB SER A 65 9.032 -3.635 5.201 1.00 7.28 C ATOM 1040 OG SER A 65 8.970 -2.784 6.283 1.00 10.56 O ATOM 0 H SER A 65 9.341 -5.881 3.765 1.00 6.85 H new ATOM 0 HA SER A 65 8.894 -5.418 6.547 1.00 6.90 H new ATOM 0 HB2 SER A 65 10.053 -3.655 4.819 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.401 -3.245 4.402 1.00 7.28 H new ATOM 0 HG SER A 65 9.262 -1.889 6.012 1.00 10.56 H new ATOM 1046 N THR A 66 6.368 -4.571 6.453 1.00 4.48 N ATOM 1047 CA THR A 66 4.897 -4.695 6.566 1.00 3.80 C ATOM 1048 C THR A 66 4.220 -3.314 6.440 1.00 4.60 C ATOM 1049 O THR A 66 4.524 -2.356 7.134 1.00 5.33 O ATOM 1050 CB THR A 66 4.477 -5.400 7.947 1.00 2.85 C ATOM 1051 OG1 THR A 66 5.179 -6.629 7.875 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.948 -5.716 8.005 1.00 3.40 C ATOM 0 H THR A 66 6.797 -4.090 7.243 1.00 4.48 H new ATOM 0 HA THR A 66 4.554 -5.326 5.746 1.00 3.80 H new ATOM 0 HB THR A 66 4.697 -4.775 8.813 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.998 -7.157 8.681 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.711 -6.192 8.956 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.381 -4.790 7.911 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.684 -6.387 7.188 1.00 3.40 H new ATOM 1060 N LEU A 67 3.219 -3.269 5.597 1.00 4.17 N ATOM 1061 CA LEU A 67 2.378 -2.098 5.403 1.00 3.85 C ATOM 1062 C LEU A 67 1.005 -2.501 5.840 1.00 3.80 C ATOM 1063 O LEU A 67 0.668 -3.682 5.823 1.00 5.54 O ATOM 1064 CB LEU A 67 2.318 -1.710 3.958 1.00 7.18 C ATOM 1065 CG LEU A 67 3.671 -1.588 3.181 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.518 -1.029 1.792 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.703 -0.733 3.878 1.00 11.66 C ATOM 0 H LEU A 67 2.954 -4.060 5.010 1.00 4.17 H new ATOM 0 HA LEU A 67 2.773 -1.251 5.964 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.698 -2.442 3.440 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.804 -0.751 3.889 1.00 7.18 H new ATOM 0 HG LEU A 67 4.012 -2.623 3.139 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.495 -0.973 1.313 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.865 -1.678 1.209 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.083 -0.031 1.847 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.612 -0.698 3.277 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.313 0.277 4.006 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.930 -1.160 4.855 1.00 11.66 H new ATOM 1079 N HIS A 68 0.155 -1.550 6.294 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.263 -1.745 6.640 1.00 4.17 C ATOM 1081 C HIS A 68 -2.248 -1.134 5.724 1.00 5.32 C ATOM 1082 O HIS A 68 -2.135 0.020 5.319 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.577 -1.352 8.099 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.125 -2.383 9.062 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.200 -2.507 9.561 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.917 -3.181 9.850 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.122 -3.452 10.577 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -1.149 -3.801 10.802 1.00 16.30 N ATOM 0 H HIS A 68 0.457 -0.586 6.433 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.388 -2.821 6.519 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.094 -0.403 8.331 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.650 -1.198 8.210 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -2.984 -3.302 9.737 1.00 12.79 H new ATOM 0 HE1 HIS A 68 0.972 -3.850 11.112 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -1.485 -4.415 11.544 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.225 -1.834 5.235 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.276 -1.345 4.382 1.00 3.97 C ATOM 1098 C LEU A 69 -5.501 -0.950 5.264 1.00 5.07 C ATOM 1099 O LEU A 69 -5.963 -1.674 6.128 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.704 -2.452 3.396 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.917 -2.117 2.412 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.600 -0.855 1.530 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.302 -3.317 1.546 1.00 9.96 C ATOM 0 H LEU A 69 -3.320 -2.830 5.432 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.919 -0.480 3.824 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.839 -2.718 2.789 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.971 -3.336 3.975 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.781 -1.884 3.035 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.443 -0.651 0.870 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.428 0.006 2.176 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.709 -1.044 0.932 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.131 -3.043 0.893 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.447 -3.618 0.941 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.603 -4.146 2.186 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.960 0.345 5.120 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.279 0.655 5.666 1.00 6.26 C ATOM 1117 C VAL A 70 -8.091 1.313 4.550 1.00 9.22 C ATOM 1118 O VAL A 70 -7.547 1.812 3.592 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.255 1.589 6.890 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.675 0.785 8.095 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.522 2.901 6.747 1.00 8.54 C ATOM 0 H VAL A 70 -5.464 1.112 4.666 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.718 -0.279 6.016 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.290 1.900 7.034 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.646 1.423 8.978 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.307 -0.080 8.293 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.666 0.450 7.857 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.585 3.457 7.682 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.476 2.709 6.509 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.975 3.485 5.946 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.449 1.250 4.608 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.301 1.616 3.472 1.00 16.06 C ATOM 1133 C LEU A 71 -11.244 2.798 3.916 1.00 18.09 C ATOM 1134 O LEU A 71 -11.881 2.837 4.937 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.250 0.448 3.056 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.533 -0.823 2.600 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.594 -1.888 2.191 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.494 -0.502 1.492 1.00 19.57 C ATOM 0 H LEU A 71 -9.965 0.948 5.434 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.644 1.876 2.642 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.895 0.203 3.900 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.898 0.793 2.250 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.953 -1.251 3.418 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.090 -2.797 1.865 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.231 -2.114 3.046 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.204 -1.499 1.376 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.996 -1.421 1.183 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.001 -0.058 0.635 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.754 0.199 1.879 1.00 19.57 H new