USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.0239 USER MOD Set 2.1: A 6 LYS NZ :NH3+ 166:sc= 0.109 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 180:sc= 0.11 USER MOD Single : A 1 MET CE :methyl -177:sc= 0 (180deg=-0.00914) USER MOD Single : A 1 MET N :NH3+ 173:sc= 2.5 (180deg=2.33) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.0074) USER MOD Single : A 11 LYS NZ :NH3+ -138:sc= 1.2 (180deg=-0.402!) 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= 0.0752 USER MOD Single : A 25 ASN : amide:sc= 1.14 K(o=1.1,f=-1.7) USER MOD Single : A 27 LYS NZ :NH3+ 174:sc= 2.22 (180deg=2.02) USER MOD Single : A 29 LYS NZ :NH3+ -172:sc= -0.0126 (180deg=-0.109) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0351 X(o=-0.035,f=-0.042) USER MOD Single : A 41 GLN : amide:sc= 0.645 K(o=0.64,f=-6.6!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0452 X(o=-0.045,f=-0.48) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.432 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 141:sc= 0.088 USER MOD Single : A 60 ASN : amide:sc=-0.00379 X(o=-0.0038,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 177:sc= 1.28 (180deg=1.18) USER MOD Single : A 65 SER OG : rot 109:sc= 1.32 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.486 K(o=0.49,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.328 -7.421 -5.226 1.00 9.67 N ATOM 2 CA MET A 1 11.205 -7.728 -3.758 1.00 10.38 C ATOM 3 C MET A 1 9.842 -8.005 -3.230 1.00 9.62 C ATOM 4 O MET A 1 8.818 -7.662 -3.760 1.00 9.62 O ATOM 5 CB MET A 1 11.783 -6.538 -2.876 1.00 13.77 C ATOM 6 CG MET A 1 11.208 -5.123 -2.965 1.00 16.29 C ATOM 7 SD MET A 1 11.781 -4.305 -1.445 1.00 17.17 S ATOM 8 CE MET A 1 11.188 -2.595 -1.815 1.00 16.11 C ATOM 0 H1 MET A 1 12.304 -7.133 -5.440 1.00 9.67 H new ATOM 0 H2 MET A 1 11.088 -8.268 -5.779 1.00 9.67 H new ATOM 0 H3 MET A 1 10.677 -6.649 -5.475 1.00 9.67 H new ATOM 0 HA MET A 1 11.774 -8.654 -3.678 1.00 10.38 H new ATOM 0 HB2 MET A 1 11.702 -6.848 -1.834 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.846 -6.463 -3.104 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.566 -4.604 -3.854 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.120 -5.139 -3.021 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.494 -1.922 -1.014 1.00 16.11 H new ATOM 0 HE2 MET A 1 11.618 -2.257 -2.757 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.101 -2.596 -1.892 1.00 16.11 H new ATOM 20 N GLN A 2 9.825 -8.842 -2.160 1.00 9.27 N ATOM 21 CA GLN A 2 8.645 -9.350 -1.517 1.00 9.07 C ATOM 22 C GLN A 2 8.373 -8.323 -0.391 1.00 8.72 C ATOM 23 O GLN A 2 9.261 -8.085 0.445 1.00 8.22 O ATOM 24 CB GLN A 2 8.951 -10.800 -1.013 1.00 14.46 C ATOM 25 CG GLN A 2 7.856 -11.476 -0.172 1.00 17.01 C ATOM 26 CD GLN A 2 8.048 -12.916 0.414 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.179 -13.815 0.289 1.00 21.89 O ATOM 28 NE2 GLN A 2 9.093 -13.096 1.233 1.00 19.49 N ATOM 0 H GLN A 2 10.684 -9.179 -1.725 1.00 9.27 H new ATOM 0 HA GLN A 2 7.762 -9.445 -2.149 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.152 -11.428 -1.881 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.866 -10.770 -0.422 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.650 -10.816 0.670 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.955 -11.501 -0.785 1.00 17.01 H new ATOM 0 HE21 GLN A 2 9.796 -12.364 1.331 1.00 19.49 H new ATOM 0 HE22 GLN A 2 9.186 -13.966 1.758 1.00 19.49 H new ATOM 37 N ILE A 3 7.126 -7.818 -0.256 1.00 5.87 N ATOM 38 CA ILE A 3 6.648 -7.123 0.921 1.00 5.07 C ATOM 39 C ILE A 3 5.218 -7.534 1.326 1.00 4.01 C ATOM 40 O ILE A 3 4.487 -8.029 0.475 1.00 4.61 O ATOM 41 CB ILE A 3 6.650 -5.609 0.804 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.809 -4.999 -0.304 1.00 4.72 C ATOM 43 CG2 ILE A 3 8.144 -5.095 0.719 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.593 -3.502 -0.092 1.00 10.83 C ATOM 0 H ILE A 3 6.421 -7.894 -0.990 1.00 5.87 H new ATOM 0 HA ILE A 3 7.369 -7.426 1.680 1.00 5.07 H new ATOM 0 HB ILE A 3 6.151 -5.262 1.709 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.298 -5.163 -1.264 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.844 -5.503 -0.347 1.00 4.72 H new ATOM 0 HG21 ILE A 3 8.151 -4.008 0.635 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.683 -5.393 1.619 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.629 -5.530 -0.155 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.987 -3.103 -0.905 1.00 10.83 H new ATOM 0 HD12 ILE A 3 5.080 -3.339 0.856 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.557 -2.994 -0.075 1.00 10.83 H new ATOM 56 N PHE A 4 4.833 -7.241 2.555 1.00 4.55 N ATOM 57 CA PHE A 4 3.535 -7.630 3.074 1.00 4.68 C ATOM 58 C PHE A 4 2.559 -6.405 3.257 1.00 5.30 C ATOM 59 O PHE A 4 3.043 -5.341 3.657 1.00 5.58 O ATOM 60 CB PHE A 4 3.543 -8.486 4.369 1.00 4.83 C ATOM 61 CG PHE A 4 4.457 -9.654 4.290 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.232 -10.639 3.296 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.660 -9.810 5.031 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.120 -11.669 3.042 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.570 -10.867 4.718 1.00 10.61 C ATOM 66 CZ PHE A 4 6.279 -11.785 3.736 1.00 8.90 C ATOM 0 H PHE A 4 5.411 -6.727 3.220 1.00 4.55 H new ATOM 0 HA PHE A 4 3.162 -8.285 2.287 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.837 -7.858 5.210 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.531 -8.837 4.572 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.326 -10.583 2.710 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.888 -9.126 5.835 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.886 -12.394 2.277 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.500 -10.946 5.261 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.966 -12.590 3.520 1.00 8.90 H new ATOM 76 N VAL A 5 1.255 -6.591 2.883 1.00 4.44 N ATOM 77 CA VAL A 5 0.154 -5.725 3.173 1.00 3.87 C ATOM 78 C VAL A 5 -0.962 -6.378 4.051 1.00 4.93 C ATOM 79 O VAL A 5 -1.616 -7.362 3.658 1.00 6.84 O ATOM 80 CB VAL A 5 -0.356 -5.077 1.918 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.293 -3.913 2.358 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.787 -4.527 1.041 1.00 9.13 C ATOM 0 H VAL A 5 0.968 -7.407 2.342 1.00 4.44 H new ATOM 0 HA VAL A 5 0.536 -4.930 3.814 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.883 -5.816 1.314 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.689 -3.411 1.475 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.117 -4.313 2.948 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.729 -3.199 2.959 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.369 -4.068 0.145 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.350 -3.781 1.602 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.451 -5.343 0.755 1.00 9.13 H new ATOM 92 N LYS A 6 -1.143 -5.834 5.298 1.00 6.04 N ATOM 93 CA LYS A 6 -2.029 -6.319 6.304 1.00 6.12 C ATOM 94 C LYS A 6 -3.336 -5.644 6.307 1.00 6.57 C ATOM 95 O LYS A 6 -3.322 -4.400 6.146 1.00 5.76 O ATOM 96 CB LYS A 6 -1.526 -6.317 7.745 1.00 7.45 C ATOM 97 CG LYS A 6 -0.560 -7.493 7.931 1.00 11.12 C ATOM 98 CD LYS A 6 -0.431 -7.708 9.438 1.00 14.54 C ATOM 99 CE LYS A 6 0.675 -8.729 9.825 1.00 18.84 C ATOM 100 NZ LYS A 6 0.303 -10.126 9.388 1.00 20.55 N ATOM 0 H LYS A 6 -0.630 -5.006 5.601 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.110 -7.360 5.991 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.023 -5.376 7.968 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.363 -6.403 8.437 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.940 -8.390 7.442 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.410 -7.274 7.485 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.216 -6.752 9.916 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.387 -8.053 9.831 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.619 -8.440 9.363 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.829 -8.711 10.904 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.141 -10.740 9.439 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.439 -10.499 10.014 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.049 -10.102 8.410 1.00 20.55 H new ATOM 114 N THR A 7 -4.474 -6.385 6.290 1.00 7.41 N ATOM 115 CA THR A 7 -5.828 -5.778 6.205 1.00 7.48 C ATOM 116 C THR A 7 -6.635 -5.670 7.460 1.00 8.75 C ATOM 117 O THR A 7 -6.239 -6.306 8.445 1.00 8.58 O ATOM 118 CB THR A 7 -6.578 -6.451 5.025 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.141 -7.695 5.393 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.687 -6.611 3.774 1.00 9.17 C ATOM 0 H THR A 7 -4.481 -7.404 6.334 1.00 7.41 H new ATOM 0 HA THR A 7 -5.674 -4.715 6.018 1.00 7.48 H new ATOM 0 HB THR A 7 -7.393 -5.775 4.766 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.605 -8.085 4.623 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.260 -7.087 2.978 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.348 -5.630 3.441 1.00 9.17 H new ATOM 0 HG23 THR A 7 -4.823 -7.229 4.019 1.00 9.17 H new ATOM 128 N LEU A 8 -7.758 -4.965 7.481 1.00 9.84 N ATOM 129 CA LEU A 8 -8.478 -4.746 8.718 1.00 14.15 C ATOM 130 C LEU A 8 -9.077 -6.002 9.339 1.00 17.37 C ATOM 131 O LEU A 8 -9.316 -6.082 10.546 1.00 17.01 O ATOM 132 CB LEU A 8 -9.524 -3.574 8.535 1.00 16.63 C ATOM 133 CG LEU A 8 -10.172 -3.114 9.841 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.275 -2.322 10.754 1.00 19.31 C ATOM 135 CD2 LEU A 8 -11.416 -2.295 9.471 1.00 18.59 C ATOM 0 H LEU A 8 -8.184 -4.539 6.658 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.742 -4.437 9.460 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.025 -2.724 8.069 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.305 -3.901 7.848 1.00 16.63 H new ATOM 0 HG LEU A 8 -10.418 -4.007 10.416 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.826 -2.042 11.652 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -8.412 -2.927 11.031 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -8.937 -1.422 10.241 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -11.907 -1.948 10.380 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -11.120 -1.436 8.868 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -12.106 -2.918 8.901 1.00 18.59 H new ATOM 147 N THR A 9 -9.316 -7.053 8.496 1.00 18.33 N ATOM 148 CA THR A 9 -9.729 -8.344 8.922 1.00 19.24 C ATOM 149 C THR A 9 -8.590 -9.296 9.150 1.00 19.48 C ATOM 150 O THR A 9 -8.758 -10.394 9.652 1.00 23.14 O ATOM 151 CB THR A 9 -10.785 -8.866 8.012 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.474 -8.709 6.658 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.957 -7.941 8.123 1.00 19.70 C ATOM 0 H THR A 9 -9.212 -6.979 7.484 1.00 18.33 H new ATOM 0 HA THR A 9 -10.172 -8.245 9.913 1.00 19.24 H new ATOM 0 HB THR A 9 -10.929 -9.911 8.286 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.202 -9.071 6.111 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.757 -8.288 7.470 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.311 -7.925 9.154 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.657 -6.936 7.827 1.00 19.70 H new ATOM 161 N GLY A 10 -7.335 -8.815 8.978 1.00 19.43 N ATOM 162 CA GLY A 10 -6.062 -9.502 9.406 1.00 18.74 C ATOM 163 C GLY A 10 -5.552 -10.477 8.349 1.00 17.62 C ATOM 164 O GLY A 10 -4.641 -11.287 8.626 1.00 19.74 O ATOM 0 H GLY A 10 -7.160 -7.917 8.528 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.296 -8.753 9.607 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.236 -10.038 10.339 1.00 18.74 H new ATOM 168 N LYS A 11 -6.120 -10.472 7.106 1.00 13.56 N ATOM 169 CA LYS A 11 -5.631 -11.124 5.927 1.00 11.91 C ATOM 170 C LYS A 11 -4.269 -10.553 5.579 1.00 10.18 C ATOM 171 O LYS A 11 -3.946 -9.359 5.765 1.00 9.10 O ATOM 172 CB LYS A 11 -6.576 -11.112 4.658 1.00 13.43 C ATOM 173 CG LYS A 11 -6.290 -12.146 3.523 1.00 16.69 C ATOM 174 CD LYS A 11 -7.187 -11.962 2.300 1.00 17.92 C ATOM 175 CE LYS A 11 -6.847 -12.872 1.129 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.697 -12.802 -0.053 1.00 21.93 N ATOM 0 H LYS A 11 -6.989 -9.969 6.927 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.580 -12.181 6.190 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.599 -11.267 5.001 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.535 -10.115 4.220 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.247 -12.060 3.217 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.425 -13.154 3.916 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.222 -12.139 2.593 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.122 -10.925 1.970 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.825 -12.653 0.820 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.858 -13.901 1.489 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.879 -13.763 -0.407 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.599 -12.347 0.194 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.220 -12.246 -0.791 1.00 21.93 H new ATOM 190 N THR A 12 -3.326 -11.375 5.114 1.00 9.63 N ATOM 191 CA THR A 12 -2.062 -10.835 4.680 1.00 9.85 C ATOM 192 C THR A 12 -1.919 -11.099 3.182 1.00 11.66 C ATOM 193 O THR A 12 -1.897 -12.220 2.666 1.00 12.33 O ATOM 194 CB THR A 12 -0.877 -11.457 5.342 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.897 -11.294 6.743 1.00 10.91 O ATOM 196 CG2 THR A 12 0.374 -10.663 4.882 1.00 9.63 C ATOM 0 H THR A 12 -3.420 -12.388 5.034 1.00 9.63 H new ATOM 0 HA THR A 12 -2.073 -9.776 4.939 1.00 9.85 H new ATOM 0 HB THR A 12 -0.875 -12.516 5.085 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.104 -11.718 7.133 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.265 -11.087 5.345 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.465 -10.724 3.797 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.272 -9.619 5.180 1.00 9.63 H new ATOM 204 N ILE A 13 -1.920 -10.010 2.412 1.00 10.42 N ATOM 205 CA ILE A 13 -1.663 -10.011 0.988 1.00 11.84 C ATOM 206 C ILE A 13 -0.166 -9.918 0.821 1.00 10.55 C ATOM 207 O ILE A 13 0.542 -9.164 1.500 1.00 11.92 O ATOM 208 CB ILE A 13 -2.340 -8.785 0.305 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.810 -8.480 0.795 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.275 -9.032 -1.254 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.313 -7.068 0.373 1.00 16.46 C ATOM 0 H ILE A 13 -2.107 -9.078 2.783 1.00 10.42 H new ATOM 0 HA ILE A 13 -2.066 -10.912 0.526 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.794 -7.886 0.591 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.485 -9.235 0.392 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.850 -8.564 1.881 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.740 -8.195 -1.775 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.234 -9.120 -1.565 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.806 -9.952 -1.499 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.329 -6.919 0.739 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.659 -6.307 0.798 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.304 -6.988 -0.714 1.00 16.46 H new ATOM 223 N THR A 14 0.343 -10.799 -0.063 1.00 9.39 N ATOM 224 CA THR A 14 1.791 -10.617 -0.394 1.00 9.63 C ATOM 225 C THR A 14 1.890 -9.956 -1.815 1.00 11.20 C ATOM 226 O THR A 14 1.230 -10.323 -2.798 1.00 11.63 O ATOM 227 CB THR A 14 2.603 -11.935 -0.543 1.00 10.38 C ATOM 228 OG1 THR A 14 2.500 -12.671 0.674 1.00 16.30 O ATOM 229 CG2 THR A 14 4.054 -11.797 -0.761 1.00 11.66 C ATOM 0 H THR A 14 -0.150 -11.565 -0.522 1.00 9.39 H new ATOM 0 HA THR A 14 2.197 -10.035 0.433 1.00 9.63 H new ATOM 0 HB THR A 14 2.172 -12.404 -1.428 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.006 -13.506 0.595 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.504 -12.786 -0.849 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.232 -11.234 -1.677 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.500 -11.269 0.082 1.00 11.66 H new ATOM 237 N LEU A 15 2.753 -8.922 -1.923 1.00 8.29 N ATOM 238 CA LEU A 15 3.086 -8.233 -3.103 1.00 9.03 C ATOM 239 C LEU A 15 4.515 -8.455 -3.606 1.00 8.59 C ATOM 240 O LEU A 15 5.443 -8.784 -2.892 1.00 7.79 O ATOM 241 CB LEU A 15 2.886 -6.712 -3.006 1.00 11.08 C ATOM 242 CG LEU A 15 1.543 -6.260 -2.481 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.573 -4.733 -2.400 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.350 -6.661 -3.329 1.00 15.27 C ATOM 0 H LEU A 15 3.247 -8.553 -1.110 1.00 8.29 H new ATOM 0 HA LEU A 15 2.385 -8.672 -3.813 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.664 -6.302 -2.362 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.032 -6.281 -3.996 1.00 11.08 H new ATOM 0 HG LEU A 15 1.405 -6.751 -1.518 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.617 -4.370 -2.024 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.371 -4.420 -1.726 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.753 -4.319 -3.392 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.565 -6.290 -2.868 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.453 -6.234 -4.327 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.305 -7.748 -3.402 1.00 15.27 H new ATOM 256 N GLU A 16 4.761 -8.298 -4.907 1.00 11.04 N ATOM 257 CA GLU A 16 6.105 -8.306 -5.562 1.00 11.50 C ATOM 258 C GLU A 16 6.298 -6.918 -6.080 1.00 10.13 C ATOM 259 O GLU A 16 5.695 -6.496 -7.076 1.00 9.83 O ATOM 260 CB GLU A 16 6.241 -9.294 -6.851 1.00 17.22 C ATOM 261 CG GLU A 16 7.711 -9.475 -7.464 1.00 23.33 C ATOM 262 CD GLU A 16 8.852 -9.870 -6.506 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.675 -10.777 -5.619 1.00 28.90 O ATOM 264 OE2 GLU A 16 9.948 -9.265 -6.643 1.00 28.86 O ATOM 0 H GLU A 16 4.007 -8.154 -5.578 1.00 11.04 H new ATOM 0 HA GLU A 16 6.829 -8.652 -4.824 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.867 -10.278 -6.567 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.587 -8.919 -7.638 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.655 -10.232 -8.247 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.989 -8.538 -7.946 1.00 23.33 H new ATOM 271 N VAL A 17 7.181 -6.136 -5.408 1.00 8.99 N ATOM 272 CA VAL A 17 7.441 -4.728 -5.761 1.00 8.85 C ATOM 273 C VAL A 17 8.851 -4.473 -6.018 1.00 8.04 C ATOM 274 O VAL A 17 9.730 -5.303 -5.744 1.00 8.99 O ATOM 275 CB VAL A 17 6.902 -3.671 -4.739 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.452 -3.891 -4.451 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.672 -3.758 -3.361 1.00 10.54 C ATOM 0 H VAL A 17 7.727 -6.467 -4.612 1.00 8.99 H new ATOM 0 HA VAL A 17 6.867 -4.594 -6.678 1.00 8.85 H new ATOM 0 HB VAL A 17 7.057 -2.694 -5.197 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.105 -3.143 -3.738 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.880 -3.805 -5.375 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.312 -4.886 -4.029 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.274 -3.011 -2.674 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.541 -4.752 -2.933 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.733 -3.571 -3.525 1.00 10.54 H new ATOM 287 N GLU A 18 9.160 -3.275 -6.587 1.00 7.29 N ATOM 288 CA GLU A 18 10.476 -2.729 -6.769 1.00 7.08 C ATOM 289 C GLU A 18 10.490 -1.394 -6.077 1.00 6.45 C ATOM 290 O GLU A 18 9.453 -0.762 -5.845 1.00 5.28 O ATOM 291 CB GLU A 18 10.869 -2.597 -8.290 1.00 10.28 C ATOM 292 CG GLU A 18 11.254 -3.982 -8.868 1.00 12.65 C ATOM 293 CD GLU A 18 11.878 -3.904 -10.233 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.202 -2.835 -10.754 1.00 18.17 O ATOM 295 OE2 GLU A 18 12.042 -4.987 -10.863 1.00 14.33 O ATOM 0 H GLU A 18 8.434 -2.652 -6.941 1.00 7.29 H new ATOM 0 HA GLU A 18 11.221 -3.399 -6.341 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.034 -2.179 -8.853 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.704 -1.905 -8.398 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.949 -4.472 -8.186 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.363 -4.607 -8.919 1.00 12.65 H new ATOM 302 N PRO A 19 11.717 -0.935 -5.749 1.00 7.24 N ATOM 303 CA PRO A 19 11.886 0.347 -5.070 1.00 7.07 C ATOM 304 C PRO A 19 11.341 1.478 -5.893 1.00 6.65 C ATOM 305 O PRO A 19 11.090 2.522 -5.321 1.00 6.37 O ATOM 306 CB PRO A 19 13.390 0.482 -4.904 1.00 7.61 C ATOM 307 CG PRO A 19 13.842 -1.010 -4.712 1.00 8.16 C ATOM 308 CD PRO A 19 12.971 -1.669 -5.770 1.00 7.49 C ATOM 0 HA PRO A 19 11.350 0.384 -4.122 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.856 0.939 -5.777 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.650 1.099 -4.044 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.907 -1.153 -4.896 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.639 -1.384 -3.709 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.440 -1.618 -6.753 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.813 -2.724 -5.547 1.00 7.49 H new ATOM 316 N SER A 20 11.304 1.309 -7.269 1.00 6.80 N ATOM 317 CA SER A 20 10.785 2.288 -8.159 1.00 6.28 C ATOM 318 C SER A 20 9.274 2.285 -8.303 1.00 8.45 C ATOM 319 O SER A 20 8.723 3.147 -9.034 1.00 7.26 O ATOM 320 CB SER A 20 11.389 2.038 -9.541 1.00 8.57 C ATOM 321 OG SER A 20 11.090 0.745 -10.048 1.00 11.13 O ATOM 0 H SER A 20 11.647 0.470 -7.737 1.00 6.80 H new ATOM 0 HA SER A 20 11.052 3.257 -7.736 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.017 2.791 -10.236 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.471 2.161 -9.487 1.00 8.57 H new ATOM 0 HG SER A 20 11.498 0.638 -10.933 1.00 11.13 H new ATOM 327 N ASP A 21 8.505 1.385 -7.687 1.00 7.50 N ATOM 328 CA ASP A 21 7.101 1.502 -7.670 1.00 7.70 C ATOM 329 C ASP A 21 6.792 2.630 -6.577 1.00 7.08 C ATOM 330 O ASP A 21 7.443 2.778 -5.564 1.00 8.11 O ATOM 331 CB ASP A 21 6.520 0.121 -7.138 1.00 11.00 C ATOM 332 CG ASP A 21 6.659 -0.918 -8.202 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.110 -0.652 -9.298 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.309 -1.930 -8.036 1.00 14.36 O ATOM 0 H ASP A 21 8.866 0.567 -7.196 1.00 7.50 H new ATOM 0 HA ASP A 21 6.676 1.742 -8.645 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.054 -0.189 -6.240 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.472 0.237 -6.862 1.00 11.00 H new ATOM 339 N THR A 22 5.744 3.417 -6.859 1.00 5.37 N ATOM 340 CA THR A 22 5.072 4.389 -6.051 1.00 6.01 C ATOM 341 C THR A 22 3.989 3.820 -5.162 1.00 8.01 C ATOM 342 O THR A 22 3.598 2.680 -5.301 1.00 8.11 O ATOM 343 CB THR A 22 4.340 5.365 -6.939 1.00 8.92 C ATOM 344 OG1 THR A 22 3.623 4.685 -7.939 1.00 10.22 O ATOM 345 CG2 THR A 22 5.461 6.142 -7.655 1.00 9.65 C ATOM 0 H THR A 22 5.310 3.363 -7.780 1.00 5.37 H new ATOM 0 HA THR A 22 5.861 4.829 -5.442 1.00 6.01 H new ATOM 0 HB THR A 22 3.650 5.980 -6.362 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.154 5.334 -8.504 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.021 6.879 -8.326 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.082 6.649 -6.916 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.075 5.448 -8.230 1.00 9.65 H new ATOM 353 N ILE A 23 3.384 4.639 -4.321 1.00 8.32 N ATOM 354 CA ILE A 23 2.263 4.152 -3.540 1.00 9.92 C ATOM 355 C ILE A 23 1.008 3.888 -4.443 1.00 10.01 C ATOM 356 O ILE A 23 0.193 2.993 -4.175 1.00 8.71 O ATOM 357 CB ILE A 23 1.948 5.131 -2.399 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.278 5.350 -1.593 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.809 4.687 -1.466 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.894 4.015 -1.101 1.00 12.30 C ATOM 0 H ILE A 23 3.639 5.614 -4.164 1.00 8.32 H new ATOM 0 HA ILE A 23 2.539 3.195 -3.098 1.00 9.92 H new ATOM 0 HB ILE A 23 1.582 6.057 -2.843 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.000 5.871 -2.222 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.079 5.994 -0.736 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.658 5.440 -0.692 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.109 4.570 -2.042 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.069 3.736 -1.001 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.812 4.219 -0.549 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.184 3.505 -0.449 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.120 3.381 -1.958 1.00 12.30 H new ATOM 372 N GLU A 24 0.862 4.585 -5.604 1.00 9.54 N ATOM 373 CA GLU A 24 -0.149 4.173 -6.649 1.00 11.81 C ATOM 374 C GLU A 24 -0.069 2.756 -7.285 1.00 11.14 C ATOM 375 O GLU A 24 -1.069 2.040 -7.281 1.00 10.62 O ATOM 376 CB GLU A 24 -0.018 5.324 -7.724 1.00 19.24 C ATOM 377 CG GLU A 24 -1.307 5.492 -8.640 1.00 27.76 C ATOM 378 CD GLU A 24 -1.085 6.769 -9.414 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.012 6.841 -10.033 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.899 7.733 -9.335 1.00 34.80 O ATOM 0 H GLU A 24 1.408 5.412 -5.846 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.121 4.064 -6.168 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.179 6.266 -7.213 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.844 5.120 -8.359 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.426 4.641 -9.311 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.213 5.551 -8.037 1.00 27.76 H new ATOM 387 N ASN A 25 1.203 2.368 -7.648 1.00 9.43 N ATOM 388 CA ASN A 25 1.582 1.044 -8.117 1.00 10.96 C ATOM 389 C ASN A 25 1.381 -0.011 -6.997 1.00 9.68 C ATOM 390 O ASN A 25 0.848 -1.047 -7.343 1.00 9.33 O ATOM 391 CB ASN A 25 3.044 0.901 -8.553 1.00 16.78 C ATOM 392 CG ASN A 25 3.280 1.586 -9.869 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.527 2.486 -10.260 1.00 25.66 O ATOM 394 ND2 ASN A 25 4.392 1.219 -10.514 1.00 24.70 N ATOM 0 H ASN A 25 1.994 3.011 -7.610 1.00 9.43 H new ATOM 0 HA ASN A 25 0.939 0.888 -8.983 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.698 1.329 -7.793 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.301 -0.155 -8.637 1.00 16.78 H new ATOM 0 HD21 ASN A 25 4.659 1.690 -11.379 1.00 24.70 H new ATOM 0 HD22 ASN A 25 4.974 0.468 -10.141 1.00 24.70 H new ATOM 401 N VAL A 26 1.603 0.283 -5.695 1.00 6.52 N ATOM 402 CA VAL A 26 1.236 -0.643 -4.656 1.00 5.53 C ATOM 403 C VAL A 26 -0.251 -0.882 -4.547 1.00 4.42 C ATOM 404 O VAL A 26 -0.672 -2.006 -4.416 1.00 3.40 O ATOM 405 CB VAL A 26 1.891 -0.243 -3.290 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.561 -1.138 -2.113 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.411 -0.358 -3.618 1.00 8.12 C ATOM 0 H VAL A 26 2.030 1.149 -5.365 1.00 6.52 H new ATOM 0 HA VAL A 26 1.644 -1.611 -4.947 1.00 5.53 H new ATOM 0 HB VAL A 26 1.531 0.733 -2.966 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.067 -0.768 -1.221 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.484 -1.137 -1.946 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.894 -2.154 -2.324 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.994 -0.101 -2.734 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.642 -1.379 -3.921 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.661 0.326 -4.429 1.00 8.12 H new ATOM 417 N LYS A 27 -1.113 0.143 -4.648 1.00 2.64 N ATOM 418 CA LYS A 27 -2.572 0.075 -4.727 1.00 4.14 C ATOM 419 C LYS A 27 -3.135 -0.588 -5.942 1.00 5.58 C ATOM 420 O LYS A 27 -4.042 -1.420 -5.933 1.00 4.11 O ATOM 421 CB LYS A 27 -3.221 1.437 -4.423 1.00 3.97 C ATOM 422 CG LYS A 27 -2.866 2.038 -3.006 1.00 7.45 C ATOM 423 CD LYS A 27 -3.373 3.384 -2.588 1.00 9.02 C ATOM 424 CE LYS A 27 -3.028 4.509 -3.596 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.974 5.649 -3.463 1.00 15.47 N ATOM 0 H LYS A 27 -0.780 1.107 -4.678 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.854 -0.615 -3.932 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.916 2.148 -5.191 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.303 1.333 -4.497 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.211 1.322 -2.260 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.779 2.071 -2.937 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.455 3.335 -2.465 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -2.953 3.637 -1.614 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.009 4.855 -3.426 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.066 4.116 -4.612 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.664 6.431 -4.075 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.927 5.344 -3.747 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.994 5.970 -2.474 1.00 15.47 H new ATOM 439 N ALA A 28 -2.538 -0.314 -7.167 1.00 6.61 N ATOM 440 CA ALA A 28 -2.844 -1.063 -8.403 1.00 7.74 C ATOM 441 C ALA A 28 -2.577 -2.557 -8.263 1.00 9.17 C ATOM 442 O ALA A 28 -3.470 -3.314 -8.558 1.00 11.45 O ATOM 443 CB ALA A 28 -2.023 -0.428 -9.612 1.00 7.68 C ATOM 0 H ALA A 28 -1.846 0.424 -7.297 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.911 -0.974 -8.605 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.243 -0.975 -10.529 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.308 0.617 -9.736 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.956 -0.491 -9.400 1.00 7.68 H new ATOM 449 N LYS A 29 -1.466 -2.927 -7.708 1.00 8.96 N ATOM 450 CA LYS A 29 -1.185 -4.341 -7.403 1.00 7.90 C ATOM 451 C LYS A 29 -2.109 -4.937 -6.405 1.00 6.92 C ATOM 452 O LYS A 29 -2.604 -6.059 -6.564 1.00 6.87 O ATOM 453 CB LYS A 29 0.285 -4.571 -7.037 1.00 10.28 C ATOM 454 CG LYS A 29 1.315 -4.270 -8.169 1.00 14.94 C ATOM 455 CD LYS A 29 2.728 -4.236 -7.658 1.00 19.69 C ATOM 456 CE LYS A 29 3.799 -3.962 -8.743 1.00 22.63 C ATOM 457 NZ LYS A 29 3.757 -5.038 -9.801 1.00 24.98 N ATOM 0 H LYS A 29 -0.719 -2.284 -7.446 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.378 -4.879 -8.331 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.528 -3.950 -6.175 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.406 -5.609 -6.727 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.230 -5.029 -8.946 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.075 -3.313 -8.631 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.804 -3.468 -6.889 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.950 -5.190 -7.179 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.625 -2.987 -9.198 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.789 -3.928 -8.287 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.563 -4.921 -10.447 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.809 -5.973 -9.348 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.869 -4.963 -10.338 1.00 24.98 H new ATOM 471 N ILE A 30 -2.445 -4.167 -5.341 1.00 4.57 N ATOM 472 CA ILE A 30 -3.540 -4.490 -4.386 1.00 5.58 C ATOM 473 C ILE A 30 -4.910 -4.676 -5.110 1.00 7.26 C ATOM 474 O ILE A 30 -5.659 -5.629 -4.877 1.00 9.46 O ATOM 475 CB ILE A 30 -3.645 -3.462 -3.180 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.399 -3.624 -2.267 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.996 -3.709 -2.369 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.066 -2.400 -1.433 1.00 2.00 C ATOM 0 H ILE A 30 -1.961 -3.297 -5.118 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.272 -5.448 -3.941 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.669 -2.441 -3.560 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.561 -4.470 -1.599 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.538 -3.869 -2.889 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.060 -3.000 -1.544 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.849 -3.571 -3.033 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.003 -4.725 -1.975 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.183 -2.602 -0.827 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -1.868 -1.554 -2.091 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.907 -2.164 -0.781 1.00 2.00 H new ATOM 490 N GLN A 31 -5.261 -3.772 -6.107 1.00 7.06 N ATOM 491 CA GLN A 31 -6.449 -3.913 -6.888 1.00 8.67 C ATOM 492 C GLN A 31 -6.411 -5.183 -7.677 1.00 10.90 C ATOM 493 O GLN A 31 -7.360 -5.910 -7.769 1.00 9.63 O ATOM 494 CB GLN A 31 -6.527 -2.767 -7.928 1.00 9.12 C ATOM 495 CG GLN A 31 -7.863 -2.717 -8.692 1.00 10.76 C ATOM 496 CD GLN A 31 -8.035 -1.508 -9.634 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.185 -0.715 -9.990 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.320 -1.335 -10.034 1.00 14.76 N ATOM 0 H GLN A 31 -4.701 -2.954 -6.348 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.297 -3.902 -6.203 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.373 -1.815 -7.420 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.713 -2.881 -8.644 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.963 -3.631 -9.278 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.678 -2.712 -7.968 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.039 -1.996 -9.740 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.567 -0.544 -10.629 1.00 14.76 H new ATOM 507 N ASP A 32 -5.317 -5.525 -8.349 1.00 10.93 N ATOM 508 CA ASP A 32 -5.155 -6.727 -9.104 1.00 14.01 C ATOM 509 C ASP A 32 -5.356 -8.021 -8.228 1.00 14.04 C ATOM 510 O ASP A 32 -5.936 -9.036 -8.644 1.00 13.39 O ATOM 511 CB ASP A 32 -3.800 -6.707 -9.771 1.00 18.01 C ATOM 512 CG ASP A 32 -3.806 -7.665 -11.004 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.567 -7.510 -11.987 1.00 25.17 O ATOM 514 OD2 ASP A 32 -3.054 -8.669 -10.872 1.00 26.29 O ATOM 0 H ASP A 32 -4.488 -4.931 -8.373 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.933 -6.766 -9.866 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.555 -5.693 -10.087 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.031 -7.015 -9.063 1.00 18.01 H new ATOM 519 N LYS A 33 -4.927 -8.081 -6.970 1.00 14.22 N ATOM 520 CA LYS A 33 -5.179 -9.180 -6.012 1.00 14.00 C ATOM 521 C LYS A 33 -6.598 -9.093 -5.514 1.00 12.37 C ATOM 522 O LYS A 33 -7.341 -10.022 -5.660 1.00 12.17 O ATOM 523 CB LYS A 33 -4.304 -8.989 -4.796 1.00 18.62 C ATOM 524 CG LYS A 33 -2.842 -9.211 -4.971 1.00 24.00 C ATOM 525 CD LYS A 33 -2.412 -10.608 -5.340 1.00 27.61 C ATOM 526 CE LYS A 33 -0.889 -10.732 -5.031 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.204 -12.045 -5.260 1.00 30.06 N ATOM 0 H LYS A 33 -4.366 -7.334 -6.561 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.982 -10.129 -6.512 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.450 -7.973 -4.430 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.658 -9.663 -4.016 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.484 -8.529 -5.742 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.342 -8.934 -4.043 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.979 -11.345 -4.772 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.605 -10.802 -6.395 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.370 -9.982 -5.628 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.743 -10.463 -3.985 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.801 -11.961 -5.007 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.649 -12.776 -4.670 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.288 -12.310 -6.262 1.00 30.06 H new ATOM 541 N GLU A 34 -7.038 -7.994 -4.844 1.00 10.11 N ATOM 542 CA GLU A 34 -8.243 -7.911 -3.972 1.00 10.07 C ATOM 543 C GLU A 34 -9.373 -7.027 -4.505 1.00 9.32 C ATOM 544 O GLU A 34 -10.437 -6.984 -3.916 1.00 11.61 O ATOM 545 CB GLU A 34 -7.847 -7.521 -2.518 1.00 14.77 C ATOM 546 CG GLU A 34 -6.881 -8.469 -1.792 1.00 18.75 C ATOM 547 CD GLU A 34 -7.334 -9.825 -1.311 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.418 -9.838 -0.663 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.643 -10.868 -1.433 1.00 25.19 O ATOM 0 H GLU A 34 -6.542 -7.104 -4.899 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.666 -8.916 -3.973 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.397 -6.528 -2.542 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.759 -7.444 -1.925 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.035 -8.634 -2.459 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.502 -7.933 -0.922 1.00 18.75 H new ATOM 556 N GLY A 35 -9.231 -6.451 -5.720 1.00 7.22 N ATOM 557 CA GLY A 35 -10.340 -5.938 -6.503 1.00 6.29 C ATOM 558 C GLY A 35 -10.850 -4.586 -6.080 1.00 6.93 C ATOM 559 O GLY A 35 -11.935 -4.135 -6.478 1.00 7.41 O ATOM 0 H GLY A 35 -8.326 -6.336 -6.176 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.032 -5.882 -7.547 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.162 -6.652 -6.451 1.00 6.29 H new ATOM 563 N ILE A 36 -10.072 -3.845 -5.257 1.00 5.86 N ATOM 564 CA ILE A 36 -10.469 -2.570 -4.665 1.00 6.07 C ATOM 565 C ILE A 36 -10.059 -1.374 -5.551 1.00 6.36 C ATOM 566 O ILE A 36 -8.902 -1.306 -5.848 1.00 6.18 O ATOM 567 CB ILE A 36 -10.018 -2.403 -3.219 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.256 -3.713 -2.424 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.685 -1.170 -2.566 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.652 -3.639 -1.047 1.00 9.49 C ATOM 0 H ILE A 36 -9.132 -4.134 -4.987 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.558 -2.585 -4.625 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.945 -2.212 -3.202 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.327 -3.902 -2.343 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.824 -4.553 -2.967 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.345 -1.076 -1.535 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.413 -0.272 -3.121 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.768 -1.292 -2.581 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.838 -4.574 -0.518 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.577 -3.476 -1.129 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -10.103 -2.814 -0.496 1.00 9.49 H new ATOM 582 N PRO A 37 -10.910 -0.427 -5.903 1.00 8.65 N ATOM 583 CA PRO A 37 -10.474 0.797 -6.508 1.00 9.18 C ATOM 584 C PRO A 37 -9.379 1.602 -5.736 1.00 9.85 C ATOM 585 O PRO A 37 -9.657 1.859 -4.536 1.00 8.51 O ATOM 586 CB PRO A 37 -11.732 1.709 -6.528 1.00 11.42 C ATOM 587 CG PRO A 37 -12.935 0.736 -6.568 1.00 9.27 C ATOM 588 CD PRO A 37 -12.394 -0.520 -5.841 1.00 8.33 C ATOM 0 HA PRO A 37 -10.034 0.533 -7.470 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.770 2.347 -5.645 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.728 2.367 -7.397 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.806 1.151 -6.062 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.238 0.511 -7.591 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.739 -0.551 -4.808 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.748 -1.432 -6.323 1.00 8.33 H new ATOM 596 N PRO A 38 -8.272 2.061 -6.322 1.00 8.71 N ATOM 597 CA PRO A 38 -7.217 2.629 -5.477 1.00 9.08 C ATOM 598 C PRO A 38 -7.324 3.996 -4.950 1.00 9.28 C ATOM 599 O PRO A 38 -6.412 4.376 -4.247 1.00 6.50 O ATOM 600 CB PRO A 38 -6.031 2.738 -6.484 1.00 10.31 C ATOM 601 CG PRO A 38 -6.728 2.738 -7.851 1.00 10.81 C ATOM 602 CD PRO A 38 -7.872 1.762 -7.631 1.00 12.00 C ATOM 0 HA PRO A 38 -7.184 1.998 -4.589 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.453 3.648 -6.327 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.340 1.901 -6.384 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -7.087 3.730 -8.125 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -6.061 2.410 -8.648 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.679 1.914 -8.348 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.548 0.726 -7.731 1.00 12.00 H new ATOM 610 N ASP A 39 -8.384 4.721 -5.314 1.00 11.20 N ATOM 611 CA ASP A 39 -8.592 6.054 -4.741 1.00 14.96 C ATOM 612 C ASP A 39 -9.163 6.024 -3.319 1.00 13.99 C ATOM 613 O ASP A 39 -8.787 6.769 -2.463 1.00 13.75 O ATOM 614 CB ASP A 39 -9.443 7.014 -5.562 1.00 24.16 C ATOM 615 CG ASP A 39 -8.851 7.230 -6.878 1.00 31.06 C ATOM 616 OD1 ASP A 39 -7.652 7.701 -6.919 1.00 35.55 O ATOM 617 OD2 ASP A 39 -9.415 6.816 -7.940 1.00 34.22 O ATOM 0 H ASP A 39 -9.093 4.420 -5.983 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.573 6.440 -4.738 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.450 6.612 -5.672 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -9.535 7.966 -5.038 1.00 24.16 H new ATOM 622 N GLN A 40 -10.032 5.005 -3.124 1.00 11.60 N ATOM 623 CA GLN A 40 -10.526 4.553 -1.857 1.00 10.76 C ATOM 624 C GLN A 40 -9.488 3.892 -0.945 1.00 8.01 C ATOM 625 O GLN A 40 -9.507 4.135 0.255 1.00 8.96 O ATOM 626 CB GLN A 40 -11.690 3.590 -2.114 1.00 11.14 C ATOM 627 CG GLN A 40 -12.478 3.151 -0.840 1.00 14.85 C ATOM 628 CD GLN A 40 -13.340 1.890 -1.161 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.248 0.796 -0.555 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.172 2.091 -2.166 1.00 18.16 N ATOM 0 H GLN A 40 -10.410 4.466 -3.903 1.00 11.60 H new ATOM 0 HA GLN A 40 -10.840 5.443 -1.311 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.385 4.062 -2.808 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.302 2.699 -2.608 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -11.783 2.931 -0.029 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.119 3.964 -0.499 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.207 3.001 -2.625 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.780 1.336 -2.484 1.00 18.16 H new ATOM 639 N GLN A 41 -8.561 3.063 -1.479 1.00 6.52 N ATOM 640 CA GLN A 41 -7.478 2.434 -0.716 1.00 3.87 C ATOM 641 C GLN A 41 -6.552 3.526 -0.069 1.00 4.79 C ATOM 642 O GLN A 41 -6.297 4.606 -0.607 1.00 6.34 O ATOM 643 CB GLN A 41 -6.558 1.477 -1.545 1.00 4.20 C ATOM 644 CG GLN A 41 -7.264 0.327 -2.309 1.00 3.20 C ATOM 645 CD GLN A 41 -6.203 -0.448 -3.058 1.00 4.89 C ATOM 646 OE1 GLN A 41 -5.033 -0.342 -2.745 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.576 -1.099 -4.174 1.00 7.13 N ATOM 0 H GLN A 41 -8.552 2.814 -2.468 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.993 1.832 0.033 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.005 2.077 -2.267 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.825 1.037 -0.868 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.794 -0.324 -1.614 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -8.006 0.726 -3.001 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.564 -1.174 -4.414 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.870 -1.518 -4.780 1.00 7.13 H new ATOM 656 N ARG A 42 -6.166 3.317 1.204 1.00 5.73 N ATOM 657 CA ARG A 42 -5.397 4.080 2.065 1.00 6.97 C ATOM 658 C ARG A 42 -4.245 3.177 2.501 1.00 7.15 C ATOM 659 O ARG A 42 -4.401 1.974 2.711 1.00 7.33 O ATOM 660 CB ARG A 42 -6.175 4.700 3.299 1.00 13.23 C ATOM 661 CG ARG A 42 -7.101 5.809 2.850 1.00 21.27 C ATOM 662 CD ARG A 42 -7.680 6.496 4.091 1.00 26.14 C ATOM 663 NE ARG A 42 -8.190 7.811 3.541 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.010 8.687 4.247 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.600 8.315 5.340 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.244 9.898 3.687 1.00 36.39 N ATOM 0 H ARG A 42 -6.461 2.461 1.674 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.050 4.971 1.541 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.750 3.921 3.800 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.462 5.088 4.026 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.559 6.529 2.237 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.903 5.405 2.232 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.480 5.909 4.542 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.923 6.646 4.860 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.916 8.072 2.594 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.467 7.368 5.695 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.198 8.969 5.845 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.826 10.133 2.787 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.838 10.575 4.165 1.00 36.39 H new ATOM 680 N LEU A 43 -3.008 3.727 2.529 1.00 4.65 N ATOM 681 CA LEU A 43 -1.873 2.886 2.921 1.00 3.51 C ATOM 682 C LEU A 43 -1.103 3.581 4.044 1.00 5.56 C ATOM 683 O LEU A 43 -0.778 4.767 3.931 1.00 4.19 O ATOM 684 CB LEU A 43 -0.835 2.542 1.843 1.00 3.74 C ATOM 685 CG LEU A 43 -1.264 1.420 0.887 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.621 1.453 -0.515 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.064 -0.038 1.468 1.00 6.41 C ATOM 0 H LEU A 43 -2.785 4.695 2.298 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.348 1.944 3.196 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.623 3.438 1.260 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.095 2.252 2.331 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.327 1.639 0.782 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.994 0.617 -1.106 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.876 2.390 -1.010 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.462 1.376 -0.420 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.391 -0.771 0.731 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.010 -0.198 1.696 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -1.653 -0.151 2.378 1.00 6.41 H new ATOM 699 N ILE A 44 -0.782 2.836 5.165 1.00 4.58 N ATOM 700 CA ILE A 44 -0.187 3.277 6.439 1.00 5.55 C ATOM 701 C ILE A 44 1.073 2.395 6.701 1.00 5.46 C ATOM 702 O ILE A 44 1.093 1.177 6.689 1.00 6.04 O ATOM 703 CB ILE A 44 -1.114 3.350 7.636 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.362 4.117 7.279 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.379 4.078 8.749 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.375 4.285 8.350 1.00 13.90 C ATOM 0 H ILE A 44 -0.957 1.831 5.177 1.00 4.58 H new ATOM 0 HA ILE A 44 0.080 4.327 6.319 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.400 2.346 7.950 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.065 5.108 6.935 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.839 3.616 6.436 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.023 4.146 9.626 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.527 3.530 9.006 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.114 5.081 8.415 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.221 4.853 7.964 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.717 3.306 8.684 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.931 4.820 9.190 1.00 13.90 H new ATOM 718 N PHE A 45 2.179 3.017 7.051 1.00 6.75 N ATOM 719 CA PHE A 45 3.451 2.358 7.449 1.00 4.70 C ATOM 720 C PHE A 45 3.988 3.198 8.709 1.00 6.34 C ATOM 721 O PHE A 45 4.047 4.422 8.594 1.00 5.45 O ATOM 722 CB PHE A 45 4.530 2.417 6.315 1.00 5.51 C ATOM 723 CG PHE A 45 5.839 1.754 6.646 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.909 0.334 6.795 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.020 2.470 6.647 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.154 -0.261 7.103 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.260 1.939 6.902 1.00 6.64 C ATOM 728 CZ PHE A 45 8.359 0.555 7.139 1.00 6.84 C ATOM 0 H PHE A 45 2.242 4.035 7.074 1.00 6.75 H new ATOM 0 HA PHE A 45 3.275 1.305 7.667 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.120 1.950 5.420 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.721 3.462 6.070 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.025 -0.275 6.674 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.964 3.527 6.431 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.211 -1.319 7.311 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.138 2.568 6.920 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.318 0.104 7.345 1.00 6.84 H new ATOM 738 N ALA A 46 4.234 2.568 9.834 1.00 6.53 N ATOM 739 CA ALA A 46 4.734 3.120 11.110 1.00 7.15 C ATOM 740 C ALA A 46 4.020 4.383 11.615 1.00 9.00 C ATOM 741 O ALA A 46 4.671 5.344 12.049 1.00 11.15 O ATOM 742 CB ALA A 46 6.266 3.219 11.176 1.00 8.99 C ATOM 0 H ALA A 46 4.081 1.562 9.905 1.00 6.53 H new ATOM 0 HA ALA A 46 4.447 2.361 11.838 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.563 3.632 12.140 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.700 2.226 11.058 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.623 3.869 10.377 1.00 8.99 H new ATOM 748 N GLY A 47 2.692 4.398 11.541 1.00 9.35 N ATOM 749 CA GLY A 47 1.871 5.546 12.027 1.00 11.68 C ATOM 750 C GLY A 47 1.709 6.680 11.103 1.00 11.14 C ATOM 751 O GLY A 47 0.968 7.658 11.413 1.00 13.93 O ATOM 0 H GLY A 47 2.142 3.633 11.150 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.880 5.171 12.283 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.319 5.919 12.948 1.00 11.68 H new ATOM 755 N LYS A 48 2.253 6.598 9.879 1.00 10.47 N ATOM 756 CA LYS A 48 2.124 7.648 8.862 1.00 8.82 C ATOM 757 C LYS A 48 1.386 7.105 7.620 1.00 7.68 C ATOM 758 O LYS A 48 1.576 6.020 7.106 1.00 6.47 O ATOM 759 CB LYS A 48 3.567 8.137 8.477 1.00 9.74 C ATOM 760 CG LYS A 48 3.671 9.078 7.355 1.00 14.14 C ATOM 761 CD LYS A 48 5.061 9.066 6.730 1.00 16.32 C ATOM 762 CE LYS A 48 6.143 9.721 7.543 1.00 20.04 C ATOM 763 NZ LYS A 48 7.502 9.653 6.885 1.00 23.92 N ATOM 0 H LYS A 48 2.798 5.795 9.567 1.00 10.47 H new ATOM 0 HA LYS A 48 1.542 8.482 9.255 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.012 8.605 9.355 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.171 7.261 8.242 1.00 9.74 H new ATOM 0 HG2 LYS A 48 2.930 8.823 6.597 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.438 10.084 7.703 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.347 8.031 6.543 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.009 9.562 5.761 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.880 10.765 7.713 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.195 9.242 8.521 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.205 10.120 7.492 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.771 8.658 6.746 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.466 10.134 5.963 1.00 23.92 H new ATOM 777 N GLN A 49 0.420 7.918 7.139 1.00 8.89 N ATOM 778 CA GLN A 49 -0.352 7.657 5.875 1.00 7.18 C ATOM 779 C GLN A 49 0.457 8.123 4.641 1.00 8.23 C ATOM 780 O GLN A 49 0.811 9.262 4.440 1.00 9.70 O ATOM 781 CB GLN A 49 -1.779 8.221 5.749 1.00 11.67 C ATOM 782 CG GLN A 49 -2.706 7.337 4.913 1.00 15.82 C ATOM 783 CD GLN A 49 -4.162 7.720 5.155 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.870 7.313 6.118 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.735 8.659 4.376 1.00 20.67 N ATOM 0 H GLN A 49 0.143 8.780 7.608 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.492 6.577 5.925 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.204 8.342 6.745 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.732 9.213 5.300 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.466 7.444 3.855 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.551 6.289 5.171 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.227 9.039 3.577 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.677 8.990 4.585 1.00 20.67 H new ATOM 794 N LEU A 50 0.745 7.171 3.758 1.00 6.51 N ATOM 795 CA LEU A 50 1.639 7.457 2.635 1.00 7.41 C ATOM 796 C LEU A 50 0.866 8.040 1.418 1.00 8.27 C ATOM 797 O LEU A 50 -0.350 7.817 1.208 1.00 8.34 O ATOM 798 CB LEU A 50 2.330 6.089 2.193 1.00 7.13 C ATOM 799 CG LEU A 50 2.789 5.176 3.393 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.577 3.957 2.858 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.686 5.923 4.386 1.00 9.11 C ATOM 0 H LEU A 50 0.384 6.218 3.793 1.00 6.51 H new ATOM 0 HA LEU A 50 2.374 8.196 2.954 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.633 5.528 1.571 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.197 6.317 1.573 1.00 7.13 H new ATOM 0 HG LEU A 50 1.883 4.862 3.911 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.891 3.331 3.694 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.941 3.377 2.189 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.456 4.302 2.314 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.974 5.250 5.193 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.580 6.278 3.873 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.143 6.773 4.799 1.00 9.11 H new ATOM 813 N GLU A 51 1.564 8.852 0.564 1.00 9.43 N ATOM 814 CA GLU A 51 0.904 9.654 -0.504 1.00 11.90 C ATOM 815 C GLU A 51 1.224 9.000 -1.852 1.00 11.49 C ATOM 816 O GLU A 51 2.308 8.486 -2.110 1.00 9.88 O ATOM 817 CB GLU A 51 1.316 11.142 -0.574 1.00 16.56 C ATOM 818 CG GLU A 51 0.778 11.905 0.686 1.00 26.06 C ATOM 819 CD GLU A 51 -0.743 11.795 0.738 1.00 29.86 C ATOM 820 OE1 GLU A 51 -1.431 12.302 -0.196 1.00 33.44 O ATOM 821 OE2 GLU A 51 -1.336 11.368 1.732 1.00 32.13 O ATOM 0 H GLU A 51 2.577 8.964 0.599 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.159 9.657 -0.263 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.402 11.226 -0.624 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.919 11.596 -1.482 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.215 11.485 1.592 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.076 12.953 0.644 1.00 26.06 H new ATOM 828 N ASP A 52 0.227 9.082 -2.787 1.00 12.71 N ATOM 829 CA ASP A 52 0.078 8.339 -4.020 1.00 16.56 C ATOM 830 C ASP A 52 1.302 8.398 -4.955 1.00 15.83 C ATOM 831 O ASP A 52 1.750 7.325 -5.438 1.00 17.21 O ATOM 832 CB ASP A 52 -1.066 8.869 -4.829 1.00 21.05 C ATOM 833 CG ASP A 52 -2.346 8.942 -3.945 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.404 9.878 -3.099 1.00 28.37 O ATOM 835 OD2 ASP A 52 -3.226 8.145 -4.128 1.00 25.82 O ATOM 0 H ASP A 52 -0.546 9.735 -2.658 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.073 7.313 -3.686 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.823 9.859 -5.216 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.244 8.225 -5.690 1.00 21.05 H new ATOM 840 N GLY A 53 1.878 9.605 -5.205 1.00 15.00 N ATOM 841 CA GLY A 53 3.018 9.880 -6.165 1.00 11.77 C ATOM 842 C GLY A 53 4.380 9.535 -5.597 1.00 11.10 C ATOM 843 O GLY A 53 5.431 9.617 -6.248 1.00 11.25 O ATOM 0 H GLY A 53 1.561 10.453 -4.735 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.859 9.309 -7.080 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.004 10.934 -6.441 1.00 11.77 H new ATOM 847 N ARG A 54 4.483 9.290 -4.273 1.00 8.53 N ATOM 848 CA ARG A 54 5.828 9.014 -3.693 1.00 9.05 C ATOM 849 C ARG A 54 6.293 7.592 -3.947 1.00 8.96 C ATOM 850 O ARG A 54 5.605 6.588 -3.739 1.00 11.60 O ATOM 851 CB ARG A 54 5.832 9.240 -2.187 1.00 7.97 C ATOM 852 CG ARG A 54 5.644 10.711 -1.899 1.00 9.62 C ATOM 853 CD ARG A 54 6.652 11.805 -2.465 1.00 12.20 C ATOM 854 NE ARG A 54 6.038 13.132 -2.059 1.00 18.23 N ATOM 855 CZ ARG A 54 6.613 14.305 -2.288 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.864 14.425 -2.732 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.853 15.394 -2.191 1.00 23.38 N ATOM 0 H ARG A 54 3.705 9.275 -3.613 1.00 8.53 H new ATOM 0 HA ARG A 54 6.508 9.706 -4.189 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.035 8.662 -1.719 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.772 8.892 -1.759 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.651 10.980 -2.258 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.632 10.822 -0.815 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.649 11.683 -2.042 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.754 11.729 -3.548 1.00 12.20 H new ATOM 0 HE ARG A 54 5.135 13.121 -1.585 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.424 13.591 -2.911 1.00 25.50 H new ATOM 0 HH12 ARG A 54 8.261 15.350 -2.893 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.866 15.307 -1.948 1.00 23.38 H new ATOM 0 HH22 ARG A 54 6.258 16.315 -2.360 1.00 23.38 H new ATOM 871 N THR A 55 7.598 7.449 -4.421 1.00 9.05 N ATOM 872 CA THR A 55 8.381 6.208 -4.672 1.00 9.03 C ATOM 873 C THR A 55 8.654 5.488 -3.361 1.00 8.15 C ATOM 874 O THR A 55 8.846 6.067 -2.266 1.00 5.91 O ATOM 875 CB THR A 55 9.718 6.289 -5.443 1.00 11.15 C ATOM 876 OG1 THR A 55 10.646 7.044 -4.773 1.00 11.95 O ATOM 877 CG2 THR A 55 9.469 6.954 -6.843 1.00 11.71 C ATOM 0 H THR A 55 8.151 8.276 -4.647 1.00 9.05 H new ATOM 0 HA THR A 55 7.716 5.679 -5.354 1.00 9.03 H new ATOM 0 HB THR A 55 10.100 5.274 -5.548 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.479 7.072 -5.289 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.410 7.013 -7.390 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.757 6.354 -7.409 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.067 7.957 -6.703 1.00 11.71 H new ATOM 885 N LEU A 56 8.762 4.116 -3.423 1.00 6.91 N ATOM 886 CA LEU A 56 9.142 3.310 -2.202 1.00 8.29 C ATOM 887 C LEU A 56 10.596 3.640 -1.825 1.00 8.05 C ATOM 888 O LEU A 56 10.988 3.587 -0.684 1.00 10.17 O ATOM 889 CB LEU A 56 8.985 1.806 -2.557 1.00 6.60 C ATOM 890 CG LEU A 56 7.459 1.262 -2.660 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.322 -0.250 -3.015 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.683 1.621 -1.376 1.00 8.64 C ATOM 0 H LEU A 56 8.600 3.564 -4.265 1.00 6.91 H new ATOM 0 HA LEU A 56 8.504 3.547 -1.351 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.481 1.623 -3.510 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.511 1.217 -1.805 1.00 6.60 H new ATOM 0 HG LEU A 56 7.014 1.775 -3.512 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.267 -0.519 -3.061 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.787 -0.440 -3.982 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.816 -0.849 -2.250 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.660 1.252 -1.454 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.170 1.161 -0.516 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.670 2.704 -1.250 1.00 8.64 H new ATOM 904 N SER A 57 11.431 3.949 -2.821 1.00 8.92 N ATOM 905 CA SER A 57 12.794 4.397 -2.729 1.00 9.00 C ATOM 906 C SER A 57 12.963 5.647 -1.914 1.00 9.44 C ATOM 907 O SER A 57 13.839 5.697 -1.060 1.00 10.91 O ATOM 908 CB SER A 57 13.523 4.562 -4.130 1.00 10.32 C ATOM 909 OG SER A 57 14.938 4.943 -4.053 1.00 13.59 O ATOM 0 H SER A 57 11.128 3.881 -3.793 1.00 8.92 H new ATOM 0 HA SER A 57 13.286 3.580 -2.201 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.445 3.622 -4.676 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.991 5.314 -4.713 1.00 10.32 H new ATOM 0 HG SER A 57 15.306 5.020 -4.958 1.00 13.59 H new ATOM 915 N ASP A 58 12.037 6.619 -2.187 1.00 9.11 N ATOM 916 CA ASP A 58 11.983 7.818 -1.406 1.00 7.91 C ATOM 917 C ASP A 58 11.805 7.622 0.102 1.00 9.12 C ATOM 918 O ASP A 58 12.582 8.163 0.897 1.00 8.61 O ATOM 919 CB ASP A 58 10.914 8.790 -1.892 1.00 8.41 C ATOM 920 CG ASP A 58 11.094 10.201 -1.320 1.00 11.50 C ATOM 921 OD1 ASP A 58 10.671 10.457 -0.151 1.00 11.70 O ATOM 922 OD2 ASP A 58 11.632 11.097 -2.059 1.00 10.05 O ATOM 0 H ASP A 58 11.346 6.563 -2.935 1.00 9.11 H new ATOM 0 HA ASP A 58 12.978 8.236 -1.560 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.940 8.838 -2.981 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.931 8.412 -1.613 1.00 8.41 H new ATOM 927 N TYR A 59 10.853 6.740 0.473 1.00 7.97 N ATOM 928 CA TYR A 59 10.662 6.301 1.874 1.00 8.45 C ATOM 929 C TYR A 59 11.721 5.378 2.336 1.00 10.98 C ATOM 930 O TYR A 59 11.821 5.146 3.542 1.00 12.95 O ATOM 931 CB TYR A 59 9.317 5.535 2.046 1.00 7.94 C ATOM 932 CG TYR A 59 8.164 6.349 1.940 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.685 7.130 2.992 1.00 4.59 C ATOM 934 CD2 TYR A 59 7.370 6.346 0.767 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.608 7.992 2.823 1.00 5.39 C ATOM 936 CE2 TYR A 59 6.130 7.025 0.645 1.00 6.52 C ATOM 937 CZ TYR A 59 5.770 7.858 1.690 1.00 6.76 C ATOM 938 OH TYR A 59 4.629 8.691 1.443 1.00 7.63 O ATOM 0 H TYR A 59 10.199 6.314 -0.184 1.00 7.97 H new ATOM 0 HA TYR A 59 10.683 7.219 2.461 1.00 8.45 H new ATOM 0 HB2 TYR A 59 9.262 4.748 1.294 1.00 7.94 H new ATOM 0 HB3 TYR A 59 9.313 5.046 3.020 1.00 7.94 H new ATOM 0 HD1 TYR A 59 8.162 7.063 3.959 1.00 4.59 H new ATOM 0 HD2 TYR A 59 7.731 5.793 -0.087 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.411 8.762 3.554 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.498 6.898 -0.221 1.00 6.52 H new ATOM 0 HH TYR A 59 4.576 8.898 0.487 1.00 7.63 H new ATOM 948 N ASN A 60 12.545 4.817 1.463 1.00 12.38 N ATOM 949 CA ASN A 60 13.581 3.841 1.779 1.00 13.94 C ATOM 950 C ASN A 60 13.063 2.599 2.442 1.00 14.16 C ATOM 951 O ASN A 60 13.483 2.131 3.497 1.00 14.26 O ATOM 952 CB ASN A 60 14.712 4.474 2.641 1.00 19.23 C ATOM 953 CG ASN A 60 15.472 5.443 1.784 1.00 22.65 C ATOM 954 OD1 ASN A 60 16.424 5.028 1.127 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.993 6.690 1.695 1.00 24.09 N ATOM 0 H ASN A 60 12.509 5.039 0.468 1.00 12.38 H new ATOM 0 HA ASN A 60 13.988 3.534 0.816 1.00 13.94 H new ATOM 0 HB2 ASN A 60 14.289 4.984 3.507 1.00 19.23 H new ATOM 0 HB3 ASN A 60 15.378 3.700 3.021 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.422 7.357 1.054 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.199 6.973 2.269 1.00 24.09 H new ATOM 962 N ILE A 61 11.957 1.985 1.875 1.00 11.08 N ATOM 963 CA ILE A 61 11.475 0.750 2.404 1.00 11.78 C ATOM 964 C ILE A 61 12.342 -0.469 2.052 1.00 13.74 C ATOM 965 O ILE A 61 12.719 -0.634 0.893 1.00 14.60 O ATOM 966 CB ILE A 61 10.013 0.496 1.948 1.00 11.80 C ATOM 967 CG1 ILE A 61 9.154 1.600 2.772 1.00 11.56 C ATOM 968 CG2 ILE A 61 9.517 -0.972 2.145 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.846 1.885 2.130 1.00 11.42 C ATOM 0 H ILE A 61 11.433 2.350 1.080 1.00 11.08 H new ATOM 0 HA ILE A 61 11.523 0.861 3.487 1.00 11.78 H new ATOM 0 HB ILE A 61 9.902 0.608 0.869 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.988 1.244 3.789 1.00 11.56 H new ATOM 0 HG13 ILE A 61 9.729 2.523 2.847 1.00 11.56 H new ATOM 0 HG21 ILE A 61 8.487 -1.057 1.800 1.00 13.29 H new ATOM 0 HG22 ILE A 61 10.149 -1.650 1.571 1.00 13.29 H new ATOM 0 HG23 ILE A 61 9.569 -1.235 3.202 1.00 13.29 H new ATOM 0 HD11 ILE A 61 7.307 2.629 2.717 1.00 11.42 H new ATOM 0 HD12 ILE A 61 8.011 2.267 1.123 1.00 11.42 H new ATOM 0 HD13 ILE A 61 7.258 0.968 2.079 1.00 11.42 H new ATOM 981 N GLN A 62 12.675 -1.343 3.043 1.00 13.97 N ATOM 982 CA GLN A 62 13.344 -2.638 2.902 1.00 15.52 C ATOM 983 C GLN A 62 12.383 -3.811 2.689 1.00 13.94 C ATOM 984 O GLN A 62 11.172 -3.745 2.962 1.00 12.15 O ATOM 985 CB GLN A 62 14.288 -2.808 4.168 1.00 19.53 C ATOM 986 CG GLN A 62 15.361 -1.813 4.370 1.00 26.38 C ATOM 987 CD GLN A 62 16.272 -2.118 5.573 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.032 -1.693 6.726 1.00 33.23 O ATOM 989 NE2 GLN A 62 17.341 -2.900 5.308 1.00 32.71 N ATOM 0 H GLN A 62 12.463 -1.134 4.019 1.00 13.97 H new ATOM 0 HA GLN A 62 13.938 -2.652 1.988 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.658 -2.805 5.057 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.752 -3.793 4.109 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.971 -1.762 3.468 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.911 -0.830 4.507 1.00 26.38 H new ATOM 0 HE21 GLN A 62 17.508 -3.230 4.357 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.981 -3.161 6.058 1.00 32.71 H new ATOM 998 N LYS A 63 12.918 -4.932 2.176 1.00 11.73 N ATOM 999 CA LYS A 63 12.223 -6.204 1.992 1.00 11.97 C ATOM 1000 C LYS A 63 11.502 -6.818 3.218 1.00 10.41 C ATOM 1001 O LYS A 63 11.948 -6.768 4.336 1.00 9.59 O ATOM 1002 CB LYS A 63 13.137 -7.247 1.390 1.00 13.73 C ATOM 1003 CG LYS A 63 14.028 -8.058 2.335 1.00 16.98 C ATOM 1004 CD LYS A 63 14.981 -9.083 1.658 1.00 20.19 C ATOM 1005 CE LYS A 63 15.843 -10.035 2.478 1.00 23.42 C ATOM 1006 NZ LYS A 63 15.020 -10.776 3.463 1.00 25.97 N ATOM 0 H LYS A 63 13.889 -4.971 1.867 1.00 11.73 H new ATOM 0 HA LYS A 63 11.419 -5.922 1.313 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.519 -7.949 0.830 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.784 -6.747 0.669 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.630 -7.363 2.921 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.388 -8.594 3.036 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.367 -9.699 1.001 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.657 -8.513 1.021 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.346 -10.739 1.815 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.620 -9.474 2.996 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 15.619 -11.455 3.975 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 14.600 -10.106 4.139 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 14.263 -11.288 2.967 1.00 25.97 H new ATOM 1020 N GLU A 64 10.276 -7.365 3.001 1.00 10.04 N ATOM 1021 CA GLU A 64 9.548 -8.164 3.969 1.00 10.94 C ATOM 1022 C GLU A 64 8.888 -7.295 5.052 1.00 9.74 C ATOM 1023 O GLU A 64 8.417 -7.820 6.064 1.00 9.42 O ATOM 1024 CB GLU A 64 10.289 -9.443 4.437 1.00 18.31 C ATOM 1025 CG GLU A 64 10.491 -10.500 3.354 1.00 24.16 C ATOM 1026 CD GLU A 64 11.592 -11.430 3.685 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.561 -12.106 4.738 1.00 31.72 O ATOM 1028 OE2 GLU A 64 12.544 -11.536 2.861 1.00 32.61 O ATOM 0 H GLU A 64 9.773 -7.248 2.122 1.00 10.04 H new ATOM 0 HA GLU A 64 8.702 -8.611 3.448 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.264 -9.157 4.832 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.730 -9.889 5.260 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.568 -11.064 3.221 1.00 24.16 H new ATOM 0 HG3 GLU A 64 10.704 -10.010 2.404 1.00 24.16 H new ATOM 1035 N SER A 65 8.856 -6.028 4.807 1.00 6.85 N ATOM 1036 CA SER A 65 8.165 -5.005 5.560 1.00 6.90 C ATOM 1037 C SER A 65 6.687 -5.115 5.574 1.00 4.72 C ATOM 1038 O SER A 65 6.100 -5.650 4.619 1.00 3.91 O ATOM 1039 CB SER A 65 8.619 -3.543 5.161 1.00 7.28 C ATOM 1040 OG SER A 65 10.019 -3.466 5.383 1.00 10.56 O ATOM 0 H SER A 65 9.353 -5.636 4.007 1.00 6.85 H new ATOM 0 HA SER A 65 8.477 -5.197 6.587 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.383 -3.338 4.117 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.093 -2.799 5.759 1.00 7.28 H new ATOM 0 HG SER A 65 10.486 -3.435 4.522 1.00 10.56 H new ATOM 1046 N THR A 66 6.092 -4.723 6.703 1.00 4.48 N ATOM 1047 CA THR A 66 4.604 -4.857 6.793 1.00 3.80 C ATOM 1048 C THR A 66 4.015 -3.474 6.610 1.00 4.60 C ATOM 1049 O THR A 66 4.172 -2.563 7.469 1.00 5.33 O ATOM 1050 CB THR A 66 4.158 -5.417 8.102 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.588 -6.769 8.293 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.620 -5.355 8.183 1.00 3.40 C ATOM 0 H THR A 66 6.560 -4.335 7.522 1.00 4.48 H new ATOM 0 HA THR A 66 4.265 -5.551 6.023 1.00 3.80 H new ATOM 0 HB THR A 66 4.612 -4.815 8.889 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.274 -7.092 9.163 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.289 -5.763 9.138 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.293 -4.319 8.098 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.189 -5.939 7.370 1.00 3.40 H new ATOM 1060 N LEU A 67 3.281 -3.238 5.494 1.00 4.17 N ATOM 1061 CA LEU A 67 2.370 -2.084 5.239 1.00 3.85 C ATOM 1062 C LEU A 67 0.951 -2.570 5.698 1.00 3.80 C ATOM 1063 O LEU A 67 0.672 -3.790 5.807 1.00 5.54 O ATOM 1064 CB LEU A 67 2.240 -1.717 3.732 1.00 7.18 C ATOM 1065 CG LEU A 67 3.169 -0.662 3.167 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.703 -0.992 3.422 1.00 8.12 C ATOM 1067 CD2 LEU A 67 2.946 -0.366 1.692 1.00 11.66 C ATOM 0 H LEU A 67 3.307 -3.880 4.702 1.00 4.17 H new ATOM 0 HA LEU A 67 2.760 -1.209 5.760 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.383 -2.630 3.154 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.216 -1.386 3.557 1.00 7.18 H new ATOM 0 HG LEU A 67 2.908 0.239 3.722 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.321 -0.202 2.995 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.888 -1.058 4.494 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.954 -1.943 2.951 1.00 8.12 H new ATOM 0 HD21 LEU A 67 3.650 0.399 1.364 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.101 -1.275 1.111 1.00 11.66 H new ATOM 0 HD23 LEU A 67 1.927 -0.010 1.542 1.00 11.66 H new ATOM 1079 N HIS A 68 0.065 -1.567 5.962 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.326 -1.733 6.330 1.00 4.17 C ATOM 1081 C HIS A 68 -2.223 -1.167 5.302 1.00 5.32 C ATOM 1082 O HIS A 68 -2.059 -0.064 4.845 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.653 -0.984 7.613 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.761 -1.156 8.841 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.541 -0.712 8.908 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.910 -1.878 9.994 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.070 -1.197 10.036 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.221 -1.909 10.757 1.00 16.30 N ATOM 0 H HIS A 68 0.338 -0.585 5.915 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.476 -2.806 6.446 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.674 0.079 7.373 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.665 -1.265 7.904 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.014 -0.122 8.224 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -1.829 -2.373 10.272 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.094 -1.023 10.330 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.276 -1.952 4.941 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.243 -1.569 3.931 1.00 3.97 C ATOM 1098 C LEU A 69 -5.493 -0.985 4.653 1.00 5.07 C ATOM 1099 O LEU A 69 -6.090 -1.663 5.538 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.744 -2.764 3.123 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.913 -2.530 2.114 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.788 -1.210 1.216 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.188 -3.754 1.234 1.00 9.96 C ATOM 0 H LEU A 69 -3.458 -2.866 5.356 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.753 -0.859 3.264 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.899 -3.168 2.566 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.060 -3.534 3.827 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.773 -2.365 2.764 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.648 -1.140 0.550 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.757 -0.332 1.862 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.874 -1.258 0.624 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.010 -3.535 0.552 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.294 -3.997 0.659 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.456 -4.602 1.864 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.924 0.251 4.328 1.00 4.29 N ATOM 1116 CA VAL A 70 -6.986 0.953 5.000 1.00 6.26 C ATOM 1117 C VAL A 70 -7.916 1.369 3.898 1.00 9.22 C ATOM 1118 O VAL A 70 -7.546 1.531 2.734 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.473 2.102 5.882 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.650 2.945 6.404 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.598 1.476 6.998 1.00 8.54 C ATOM 0 H VAL A 70 -5.515 0.787 3.563 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.509 0.331 5.726 1.00 6.26 H new ATOM 0 HB VAL A 70 -5.854 2.801 5.320 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.270 3.755 7.027 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.200 3.363 5.561 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.315 2.315 6.994 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.215 2.265 7.646 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.200 0.783 7.586 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.763 0.939 6.548 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.207 1.409 4.204 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.228 1.693 3.191 1.00 16.06 C ATOM 1133 C LEU A 71 -10.867 2.995 3.553 1.00 18.09 C ATOM 1134 O LEU A 71 -11.381 3.249 4.688 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.125 0.467 2.917 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.389 -0.819 2.381 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.298 -2.027 2.281 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.792 -0.517 1.025 1.00 19.57 C ATOM 0 H LEU A 71 -9.576 1.249 5.142 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.816 1.847 2.194 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.643 0.207 3.840 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.888 0.754 2.193 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.611 -1.072 3.101 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.731 -2.879 1.906 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.699 -2.263 3.267 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.119 -1.809 1.598 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.281 -1.402 0.647 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.585 -0.233 0.333 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.079 0.303 1.116 1.00 19.57 H new ATOM 1150 N ARG A 72 -10.923 3.980 2.642 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.630 5.205 2.918 1.00 25.83 C ATOM 1152 C ARG A 72 -13.148 4.966 3.079 1.00 27.74 C ATOM 1153 O ARG A 72 -13.726 4.202 2.330 1.00 30.65 O ATOM 1154 CB ARG A 72 -11.272 6.119 1.687 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.693 7.593 1.919 1.00 31.79 C ATOM 1156 CD ARG A 72 -11.032 8.534 0.927 1.00 34.05 C ATOM 1157 NE ARG A 72 -11.648 9.885 1.228 1.00 35.08 N ATOM 1158 CZ ARG A 72 -11.196 11.107 0.726 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -10.050 11.207 0.037 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -12.031 12.118 0.909 1.00 35.02 N ATOM 0 H ARG A 72 -10.486 3.937 1.721 1.00 21.47 H new ATOM 0 HA ARG A 72 -11.343 5.666 3.863 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -10.199 6.073 1.501 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -11.767 5.736 0.795 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -12.776 7.679 1.834 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -11.428 7.891 2.934 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -9.950 8.552 1.056 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -11.225 8.228 -0.101 1.00 34.05 H new ATOM 0 HE ARG A 72 -12.458 9.903 1.847 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -9.483 10.376 -0.133 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -9.745 12.114 -0.317 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -12.921 11.965 1.384 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -11.785 13.050 0.575 1.00 35.02 H new ATOM 1174 N LEU A 73 -13.783 5.764 3.942 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.242 5.831 3.964 1.00 30.76 C ATOM 1176 C LEU A 73 -15.918 6.414 2.705 1.00 32.18 C ATOM 1177 O LEU A 73 -15.437 7.461 2.182 1.00 32.31 O ATOM 1178 CB LEU A 73 -15.711 6.765 5.147 1.00 30.53 C ATOM 1179 CG LEU A 73 -15.342 6.332 6.623 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -15.896 7.379 7.598 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -15.712 4.937 7.043 1.00 29.11 C ATOM 0 H LEU A 73 -13.317 6.363 4.623 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.540 4.787 4.056 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -15.294 7.757 4.975 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -16.795 6.861 5.088 1.00 30.53 H new ATOM 0 HG LEU A 73 -14.253 6.296 6.647 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -15.648 7.092 8.620 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -15.455 8.351 7.377 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -16.979 7.439 7.491 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -15.402 4.773 8.075 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -16.791 4.807 6.963 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -15.211 4.217 6.395 1.00 29.11 H new ATOM 1193 N ARG A 74 -16.964 5.811 2.154 1.00 33.82 N ATOM 1194 CA ARG A 74 -17.598 6.209 0.908 1.00 35.33 C ATOM 1195 C ARG A 74 -18.192 7.581 0.866 1.00 36.22 C ATOM 1196 O ARG A 74 -18.031 8.265 -0.155 1.00 36.70 O ATOM 1197 CB ARG A 74 -18.579 5.165 0.415 1.00 36.91 C ATOM 1198 CG ARG A 74 -19.022 5.367 -1.111 1.00 38.62 C ATOM 1199 CD ARG A 74 -19.891 4.214 -1.697 1.00 39.75 C ATOM 1200 NE ARG A 74 -19.042 3.004 -1.657 1.00 41.13 N ATOM 1201 CZ ARG A 74 -18.305 2.445 -2.605 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -18.169 2.969 -3.803 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -17.710 1.266 -2.290 1.00 41.93 N ATOM 0 H ARG A 74 -17.410 4.999 2.582 1.00 33.82 H new ATOM 0 HA ARG A 74 -16.760 6.272 0.214 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -18.131 4.177 0.526 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -19.466 5.186 1.047 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -19.579 6.300 -1.192 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -18.127 5.476 -1.723 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -20.799 4.073 -1.111 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -20.202 4.439 -2.717 1.00 39.75 H new ATOM 0 HE ARG A 74 -19.021 2.524 -0.757 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -18.642 3.843 -4.034 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -17.590 2.502 -4.501 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -17.843 0.859 -1.364 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -17.130 0.787 -2.979 1.00 41.93 H new ATOM 1217 N GLY A 75 -18.740 8.105 2.006 1.00 36.31 N ATOM 1218 CA GLY A 75 -19.078 9.541 2.235 1.00 36.07 C ATOM 1219 C GLY A 75 -17.945 10.489 2.553 1.00 36.16 C ATOM 1220 O GLY A 75 -18.065 11.688 2.445 1.00 36.26 O ATOM 0 H GLY A 75 -18.964 7.520 2.811 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -19.585 9.912 1.344 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -19.796 9.590 3.054 1.00 36.07 H new ATOM 1224 N GLY A 76 -16.830 9.842 3.018 1.00 36.05 N ATOM 1225 CA GLY A 76 -15.761 10.533 3.714 1.00 36.19 C ATOM 1226 C GLY A 76 -14.410 10.734 2.851 1.00 36.20 C ATOM 1227 O GLY A 76 -14.484 11.305 1.747 1.00 0.00 O ATOM 1228 OXT GLY A 76 -13.339 10.298 3.359 1.00 0.00 O ATOM 0 H GLY A 76 -16.674 8.840 2.909 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -16.124 11.512 4.028 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -15.518 9.978 4.620 1.00 36.19 H new TER 1232 GLY A 76