USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=16 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 55 THR OG1 : rot 121:sc= 0.636 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.417 USER MOD Set 2.1: A 6 LYS NZ :NH3+ 168:sc= 1.16 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 138:sc= 1.1 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -165:sc= 2.33 (180deg=2.21) USER MOD Single : A 2 GLN : amide:sc= -0.0117 X(o=-0.012,f=0.0089) USER MOD Single : A 7 THR OG1 : rot 170:sc=-0.00125 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -174:sc= 1.24 (180deg=1.13) 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= -0.1 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -162:sc= 2.12 (180deg=1.63) USER MOD Single : A 29 LYS NZ :NH3+ 139:sc= 1.22 (180deg=0.395) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0622 K(o=-0.062,f=-0.75) USER MOD Single : A 41 GLN : amide:sc= 0.463 K(o=0.46,f=-2) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.0029) USER MOD Single : A 59 TYR OH : rot 70:sc= 0.948 USER MOD Single : A 60 ASN : amide:sc= -0.147 X(o=-0.15,f=-0.0015) 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 94:sc= 0.868 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=-0.058) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.282 -7.302 -5.111 1.00 9.67 N ATOM 2 CA MET A 1 11.240 -7.652 -3.683 1.00 10.38 C ATOM 3 C MET A 1 9.903 -8.079 -3.154 1.00 9.62 C ATOM 4 O MET A 1 8.860 -7.928 -3.827 1.00 9.62 O ATOM 5 CB MET A 1 11.920 -6.523 -2.852 1.00 13.77 C ATOM 6 CG MET A 1 11.111 -5.310 -2.362 1.00 16.29 C ATOM 7 SD MET A 1 12.132 -4.043 -1.580 1.00 17.17 S ATOM 8 CE MET A 1 10.813 -2.830 -1.267 1.00 16.11 C ATOM 0 H1 MET A 1 12.271 -7.270 -5.432 1.00 9.67 H new ATOM 0 H2 MET A 1 10.763 -8.017 -5.659 1.00 9.67 H new ATOM 0 H3 MET A 1 10.842 -6.371 -5.253 1.00 9.67 H new ATOM 0 HA MET A 1 11.817 -8.570 -3.568 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.358 -6.993 -1.971 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.745 -6.137 -3.451 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.581 -4.870 -3.207 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.356 -5.648 -1.652 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.235 -1.951 -0.779 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.357 -2.536 -2.212 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.055 -3.275 -0.622 1.00 16.11 H new ATOM 20 N GLN A 2 9.858 -8.472 -1.880 1.00 9.27 N ATOM 21 CA GLN A 2 8.609 -8.874 -1.284 1.00 9.07 C ATOM 22 C GLN A 2 8.299 -7.880 -0.189 1.00 8.72 C ATOM 23 O GLN A 2 9.186 -7.600 0.637 1.00 8.22 O ATOM 24 CB GLN A 2 8.804 -10.244 -0.673 1.00 14.46 C ATOM 25 CG GLN A 2 7.555 -10.804 0.075 1.00 17.01 C ATOM 26 CD GLN A 2 7.667 -12.325 0.179 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.724 -12.916 1.272 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.533 -13.063 -0.951 1.00 19.49 N ATOM 0 H GLN A 2 10.666 -8.516 -1.259 1.00 9.27 H new ATOM 0 HA GLN A 2 7.801 -8.906 -2.015 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.083 -10.943 -1.462 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.640 -10.201 0.025 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.486 -10.364 1.070 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.645 -10.531 -0.459 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.484 -12.601 -1.859 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.481 -14.080 -0.893 1.00 19.49 H new ATOM 37 N ILE A 3 7.042 -7.362 -0.186 1.00 5.87 N ATOM 38 CA ILE A 3 6.314 -6.641 0.896 1.00 5.07 C ATOM 39 C ILE A 3 5.027 -7.320 1.331 1.00 4.01 C ATOM 40 O ILE A 3 4.507 -8.110 0.522 1.00 4.61 O ATOM 41 CB ILE A 3 6.054 -5.129 0.665 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.208 -4.862 -0.600 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.392 -4.395 0.598 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.879 -3.347 -0.707 1.00 10.83 C ATOM 0 H ILE A 3 6.457 -7.446 -1.018 1.00 5.87 H new ATOM 0 HA ILE A 3 7.040 -6.701 1.707 1.00 5.07 H new ATOM 0 HB ILE A 3 5.471 -4.751 1.505 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.751 -5.188 -1.487 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.286 -5.441 -0.560 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.216 -3.332 0.436 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.931 -4.535 1.535 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.985 -4.794 -0.225 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.282 -3.166 -1.601 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.318 -3.034 0.173 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.806 -2.777 -0.768 1.00 10.83 H new ATOM 56 N PHE A 4 4.489 -7.016 2.514 1.00 4.55 N ATOM 57 CA PHE A 4 3.315 -7.621 3.078 1.00 4.68 C ATOM 58 C PHE A 4 2.355 -6.440 3.247 1.00 5.30 C ATOM 59 O PHE A 4 2.708 -5.311 3.610 1.00 5.58 O ATOM 60 CB PHE A 4 3.644 -8.288 4.440 1.00 4.83 C ATOM 61 CG PHE A 4 4.725 -9.289 4.432 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.628 -10.475 3.619 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.966 -9.047 5.061 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.670 -11.382 3.618 1.00 9.10 C ATOM 65 CE2 PHE A 4 7.036 -9.964 5.050 1.00 10.61 C ATOM 66 CZ PHE A 4 6.843 -11.119 4.310 1.00 8.90 C ATOM 0 H PHE A 4 4.892 -6.304 3.123 1.00 4.55 H new ATOM 0 HA PHE A 4 2.896 -8.414 2.459 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.909 -7.504 5.150 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.739 -8.765 4.815 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.749 -10.653 3.017 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.102 -8.109 5.578 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.570 -12.308 3.071 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.954 -9.777 5.588 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.640 -11.846 4.270 1.00 8.90 H new ATOM 76 N VAL A 5 1.073 -6.690 3.033 1.00 4.44 N ATOM 77 CA VAL A 5 0.039 -5.737 3.432 1.00 3.87 C ATOM 78 C VAL A 5 -0.894 -6.509 4.288 1.00 4.93 C ATOM 79 O VAL A 5 -1.505 -7.472 3.815 1.00 6.84 O ATOM 80 CB VAL A 5 -0.684 -5.173 2.275 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.697 -4.158 2.756 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.254 -4.594 1.254 1.00 9.13 C ATOM 0 H VAL A 5 0.721 -7.538 2.588 1.00 4.44 H new ATOM 0 HA VAL A 5 0.482 -4.886 3.948 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.215 -5.980 1.770 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.230 -3.742 1.901 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.407 -4.642 3.426 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.185 -3.357 3.288 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.320 -4.190 0.420 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.841 -3.797 1.710 1.00 9.13 H new ATOM 0 HG23 VAL A 5 0.922 -5.374 0.890 1.00 9.13 H new ATOM 92 N LYS A 6 -1.076 -5.967 5.532 1.00 6.04 N ATOM 93 CA LYS A 6 -2.079 -6.305 6.486 1.00 6.12 C ATOM 94 C LYS A 6 -3.279 -5.522 6.292 1.00 6.57 C ATOM 95 O LYS A 6 -3.282 -4.306 6.202 1.00 5.76 O ATOM 96 CB LYS A 6 -1.517 -6.317 7.933 1.00 7.45 C ATOM 97 CG LYS A 6 -2.217 -7.205 8.947 1.00 11.12 C ATOM 98 CD LYS A 6 -1.621 -8.613 8.796 1.00 14.54 C ATOM 99 CE LYS A 6 -0.223 -8.692 9.416 1.00 18.84 C ATOM 100 NZ LYS A 6 0.235 -10.052 9.325 1.00 20.55 N ATOM 0 H LYS A 6 -0.459 -5.233 5.879 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.394 -7.334 6.315 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.471 -6.620 7.886 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.536 -5.295 8.310 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -2.066 -6.829 9.959 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -3.292 -7.220 8.770 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -2.276 -9.341 9.275 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.569 -8.877 7.740 1.00 14.54 H new ATOM 0 HE2 LYS A 6 0.462 -8.025 8.893 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -0.250 -8.369 10.457 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.250 -10.092 9.550 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.293 -10.642 9.999 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.080 -10.407 8.360 1.00 20.55 H new ATOM 114 N THR A 7 -4.423 -6.230 6.144 1.00 7.41 N ATOM 115 CA THR A 7 -5.739 -5.636 5.909 1.00 7.48 C ATOM 116 C THR A 7 -6.436 -5.476 7.310 1.00 8.75 C ATOM 117 O THR A 7 -5.851 -5.797 8.390 1.00 8.58 O ATOM 118 CB THR A 7 -6.565 -6.348 4.915 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.197 -7.535 5.439 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.723 -6.607 3.663 1.00 9.17 C ATOM 0 H THR A 7 -4.446 -7.249 6.187 1.00 7.41 H new ATOM 0 HA THR A 7 -5.611 -4.660 5.441 1.00 7.48 H new ATOM 0 HB THR A 7 -7.406 -5.711 4.641 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.851 -7.870 4.791 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.325 -7.133 2.922 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.386 -5.657 3.248 1.00 9.17 H new ATOM 0 HG23 THR A 7 -4.858 -7.216 3.926 1.00 9.17 H new ATOM 128 N LEU A 8 -7.616 -4.863 7.374 1.00 9.84 N ATOM 129 CA LEU A 8 -8.360 -4.612 8.576 1.00 14.15 C ATOM 130 C LEU A 8 -8.656 -5.897 9.418 1.00 17.37 C ATOM 131 O LEU A 8 -8.619 -5.840 10.647 1.00 17.01 O ATOM 132 CB LEU A 8 -9.695 -3.872 8.160 1.00 16.63 C ATOM 133 CG LEU A 8 -10.767 -3.580 9.249 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.287 -2.563 10.267 1.00 19.31 C ATOM 135 CD2 LEU A 8 -12.117 -3.058 8.723 1.00 18.59 C ATOM 0 H LEU A 8 -8.090 -4.516 6.540 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.755 -3.991 9.237 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.416 -2.920 7.709 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.171 -4.467 7.380 1.00 16.63 H new ATOM 0 HG LEU A 8 -10.921 -4.564 9.692 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -11.069 -2.392 11.007 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.393 -2.940 10.764 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.053 -1.626 9.762 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -12.792 -2.886 9.561 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -11.961 -2.123 8.185 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -12.555 -3.795 8.050 1.00 18.59 H new ATOM 147 N THR A 9 -9.054 -6.979 8.675 1.00 18.33 N ATOM 148 CA THR A 9 -9.489 -8.209 9.306 1.00 19.24 C ATOM 149 C THR A 9 -8.304 -9.134 9.468 1.00 19.48 C ATOM 150 O THR A 9 -8.375 -10.296 9.732 1.00 23.14 O ATOM 151 CB THR A 9 -10.730 -8.937 8.678 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.569 -9.143 7.314 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.980 -8.047 8.875 1.00 19.70 C ATOM 0 H THR A 9 -9.072 -6.997 7.655 1.00 18.33 H new ATOM 0 HA THR A 9 -9.880 -7.907 10.277 1.00 19.24 H new ATOM 0 HB THR A 9 -10.837 -9.903 9.171 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.359 -9.600 6.957 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.850 -8.541 8.443 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.147 -7.884 9.940 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.825 -7.088 8.381 1.00 19.70 H new ATOM 161 N GLY A 10 -7.091 -8.678 9.161 1.00 19.43 N ATOM 162 CA GLY A 10 -5.890 -9.368 9.482 1.00 18.74 C ATOM 163 C GLY A 10 -5.259 -10.310 8.521 1.00 17.62 C ATOM 164 O GLY A 10 -4.153 -10.745 8.809 1.00 19.74 O ATOM 0 H GLY A 10 -6.936 -7.797 8.671 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.143 -8.611 9.721 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.081 -9.928 10.397 1.00 18.74 H new ATOM 168 N LYS A 11 -5.868 -10.596 7.374 1.00 13.56 N ATOM 169 CA LYS A 11 -5.199 -11.272 6.315 1.00 11.91 C ATOM 170 C LYS A 11 -3.987 -10.579 5.766 1.00 10.18 C ATOM 171 O LYS A 11 -3.844 -9.321 5.740 1.00 9.10 O ATOM 172 CB LYS A 11 -6.202 -11.719 5.291 1.00 13.43 C ATOM 173 CG LYS A 11 -6.857 -10.582 4.495 1.00 16.69 C ATOM 174 CD LYS A 11 -7.598 -11.030 3.247 1.00 17.92 C ATOM 175 CE LYS A 11 -6.539 -11.527 2.197 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.090 -11.932 0.916 1.00 21.93 N ATOM 0 H LYS A 11 -6.839 -10.357 7.172 1.00 13.56 H new ATOM 0 HA LYS A 11 -4.738 -12.164 6.739 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -5.711 -12.397 4.593 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.983 -12.290 5.793 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -7.554 -10.055 5.146 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.087 -9.867 4.207 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.299 -11.830 3.488 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.183 -10.207 2.836 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.815 -10.730 2.029 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -5.994 -12.369 2.624 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -6.336 -12.338 0.326 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.833 -12.644 1.067 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.497 -11.104 0.436 1.00 21.93 H new ATOM 190 N THR A 12 -3.001 -11.333 5.329 1.00 9.63 N ATOM 191 CA THR A 12 -1.729 -10.771 5.001 1.00 9.85 C ATOM 192 C THR A 12 -1.588 -11.026 3.507 1.00 11.66 C ATOM 193 O THR A 12 -1.376 -12.175 3.063 1.00 12.33 O ATOM 194 CB THR A 12 -0.549 -11.410 5.701 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.713 -11.157 7.091 1.00 10.91 O ATOM 196 CG2 THR A 12 0.774 -10.858 5.264 1.00 9.63 C ATOM 0 H THR A 12 -3.067 -12.342 5.195 1.00 9.63 H new ATOM 0 HA THR A 12 -1.710 -9.726 5.309 1.00 9.85 H new ATOM 0 HB THR A 12 -0.536 -12.472 5.456 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.489 -11.965 7.599 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.575 -11.361 5.806 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.901 -11.022 4.194 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.809 -9.789 5.474 1.00 9.63 H new ATOM 204 N ILE A 13 -1.683 -9.958 2.725 1.00 10.42 N ATOM 205 CA ILE A 13 -1.342 -10.061 1.305 1.00 11.84 C ATOM 206 C ILE A 13 0.167 -9.931 1.132 1.00 10.55 C ATOM 207 O ILE A 13 0.906 -9.221 1.792 1.00 11.92 O ATOM 208 CB ILE A 13 -2.082 -9.006 0.493 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.491 -8.685 1.106 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.351 -9.488 -0.992 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.291 -7.595 0.378 1.00 16.46 C ATOM 0 H ILE A 13 -1.984 -9.034 3.034 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.654 -11.037 0.933 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.437 -8.127 0.508 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.082 -9.601 1.116 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.357 -8.382 2.144 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.881 -8.707 -1.538 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.401 -9.695 -1.485 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.957 -10.394 -0.976 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.248 -7.449 0.880 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.729 -6.661 0.391 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.465 -7.900 -0.654 1.00 16.46 H new ATOM 223 N THR A 14 0.649 -10.718 0.219 1.00 9.39 N ATOM 224 CA THR A 14 2.054 -10.822 -0.082 1.00 9.63 C ATOM 225 C THR A 14 2.182 -10.286 -1.470 1.00 11.20 C ATOM 226 O THR A 14 1.552 -10.838 -2.405 1.00 11.63 O ATOM 227 CB THR A 14 2.672 -12.166 -0.042 1.00 10.38 C ATOM 228 OG1 THR A 14 2.723 -12.592 1.316 1.00 16.30 O ATOM 229 CG2 THR A 14 4.140 -12.106 -0.466 1.00 11.66 C ATOM 0 H THR A 14 0.064 -11.324 -0.356 1.00 9.39 H new ATOM 0 HA THR A 14 2.587 -10.283 0.701 1.00 9.63 H new ATOM 0 HB THR A 14 2.091 -12.818 -0.695 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.129 -13.483 1.364 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.571 -13.106 -0.428 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.210 -11.719 -1.483 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.687 -11.449 0.210 1.00 11.66 H new ATOM 237 N LEU A 15 3.035 -9.262 -1.764 1.00 8.29 N ATOM 238 CA LEU A 15 3.210 -8.622 -3.061 1.00 9.03 C ATOM 239 C LEU A 15 4.657 -8.598 -3.538 1.00 8.59 C ATOM 240 O LEU A 15 5.556 -8.388 -2.699 1.00 7.79 O ATOM 241 CB LEU A 15 2.703 -7.206 -3.015 1.00 11.08 C ATOM 242 CG LEU A 15 1.233 -7.069 -2.524 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.877 -5.585 -2.315 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.182 -7.718 -3.463 1.00 15.27 C ATOM 0 H LEU A 15 3.641 -8.855 -1.052 1.00 8.29 H new ATOM 0 HA LEU A 15 2.638 -9.223 -3.767 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.349 -6.622 -2.359 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.783 -6.771 -4.011 1.00 11.08 H new ATOM 0 HG LEU A 15 1.189 -7.617 -1.583 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.154 -5.503 -1.971 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.544 -5.153 -1.569 1.00 15.88 H new ATOM 0 HD13 LEU A 15 0.989 -5.048 -3.257 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.815 -7.576 -3.046 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.234 -7.250 -4.446 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.388 -8.784 -3.558 1.00 15.27 H new ATOM 256 N GLU A 16 4.936 -8.859 -4.863 1.00 11.04 N ATOM 257 CA GLU A 16 6.192 -8.649 -5.548 1.00 11.50 C ATOM 258 C GLU A 16 6.245 -7.205 -6.048 1.00 10.13 C ATOM 259 O GLU A 16 5.465 -6.772 -6.833 1.00 9.83 O ATOM 260 CB GLU A 16 6.406 -9.706 -6.652 1.00 17.22 C ATOM 261 CG GLU A 16 7.657 -9.495 -7.434 1.00 23.33 C ATOM 262 CD GLU A 16 8.963 -9.810 -6.666 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.039 -10.930 -6.158 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.851 -8.915 -6.551 1.00 28.90 O ATOM 0 H GLU A 16 4.225 -9.243 -5.485 1.00 11.04 H new ATOM 0 HA GLU A 16 7.029 -8.787 -4.863 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.432 -10.696 -6.197 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.554 -9.690 -7.331 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.619 -10.117 -8.328 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.690 -8.458 -7.768 1.00 23.33 H new ATOM 271 N VAL A 17 7.154 -6.349 -5.471 1.00 8.99 N ATOM 272 CA VAL A 17 7.209 -4.974 -5.780 1.00 8.85 C ATOM 273 C VAL A 17 8.674 -4.507 -5.989 1.00 8.04 C ATOM 274 O VAL A 17 9.629 -5.243 -5.660 1.00 8.99 O ATOM 275 CB VAL A 17 6.648 -4.038 -4.636 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.164 -4.402 -4.491 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.491 -4.223 -3.325 1.00 10.54 C ATOM 0 H VAL A 17 7.847 -6.646 -4.784 1.00 8.99 H new ATOM 0 HA VAL A 17 6.598 -4.883 -6.678 1.00 8.85 H new ATOM 0 HB VAL A 17 6.732 -2.976 -4.867 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.713 -3.788 -3.712 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.651 -4.223 -5.436 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.072 -5.454 -4.222 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.096 -3.574 -2.544 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.432 -5.261 -2.998 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.531 -3.963 -3.521 1.00 10.54 H new ATOM 287 N GLU A 18 8.918 -3.316 -6.560 1.00 7.29 N ATOM 288 CA GLU A 18 10.262 -2.776 -6.667 1.00 7.08 C ATOM 289 C GLU A 18 10.406 -1.502 -5.837 1.00 6.45 C ATOM 290 O GLU A 18 9.453 -0.806 -5.638 1.00 5.28 O ATOM 291 CB GLU A 18 10.643 -2.279 -8.087 1.00 10.28 C ATOM 292 CG GLU A 18 11.106 -3.405 -9.006 1.00 12.65 C ATOM 293 CD GLU A 18 10.950 -3.004 -10.481 1.00 14.15 C ATOM 294 OE1 GLU A 18 9.759 -2.540 -10.816 1.00 18.17 O ATOM 295 OE2 GLU A 18 11.940 -2.944 -11.239 1.00 14.33 O ATOM 0 H GLU A 18 8.193 -2.716 -6.952 1.00 7.29 H new ATOM 0 HA GLU A 18 10.887 -3.611 -6.349 1.00 7.08 H new ATOM 0 HB2 GLU A 18 9.783 -1.782 -8.535 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.435 -1.535 -8.005 1.00 10.28 H new ATOM 0 HG2 GLU A 18 12.149 -3.645 -8.798 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.526 -4.306 -8.806 1.00 12.65 H new ATOM 302 N PRO A 19 11.506 -1.101 -5.260 1.00 7.24 N ATOM 303 CA PRO A 19 11.736 0.211 -4.596 1.00 7.07 C ATOM 304 C PRO A 19 11.290 1.428 -5.337 1.00 6.65 C ATOM 305 O PRO A 19 10.861 2.406 -4.744 1.00 6.37 O ATOM 306 CB PRO A 19 13.231 0.235 -4.434 1.00 7.61 C ATOM 307 CG PRO A 19 13.727 -1.231 -4.432 1.00 8.16 C ATOM 308 CD PRO A 19 12.687 -2.001 -5.191 1.00 7.49 C ATOM 0 HA PRO A 19 11.144 0.266 -3.682 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.695 0.795 -5.246 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.507 0.734 -3.505 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.704 -1.316 -4.907 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.833 -1.609 -3.415 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.041 -2.263 -6.188 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.441 -2.935 -4.685 1.00 7.49 H new ATOM 316 N SER A 20 11.435 1.432 -6.693 1.00 6.80 N ATOM 317 CA SER A 20 11.012 2.572 -7.532 1.00 6.28 C ATOM 318 C SER A 20 9.576 2.606 -7.950 1.00 8.45 C ATOM 319 O SER A 20 9.158 3.601 -8.548 1.00 7.26 O ATOM 320 CB SER A 20 11.848 2.731 -8.846 1.00 8.57 C ATOM 321 OG SER A 20 13.271 2.650 -8.547 1.00 11.13 O ATOM 0 H SER A 20 11.841 0.658 -7.219 1.00 6.80 H new ATOM 0 HA SER A 20 11.189 3.391 -6.835 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.573 1.952 -9.558 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.621 3.688 -9.317 1.00 8.57 H new ATOM 0 HG SER A 20 13.785 2.749 -9.375 1.00 11.13 H new ATOM 327 N ASP A 21 8.751 1.755 -7.291 1.00 7.50 N ATOM 328 CA ASP A 21 7.249 1.790 -7.387 1.00 7.70 C ATOM 329 C ASP A 21 6.701 2.727 -6.445 1.00 7.08 C ATOM 330 O ASP A 21 7.065 2.824 -5.278 1.00 8.11 O ATOM 331 CB ASP A 21 6.616 0.370 -7.040 1.00 11.00 C ATOM 332 CG ASP A 21 6.860 -0.641 -8.141 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.932 -0.261 -9.372 1.00 18.03 O ATOM 334 OD2 ASP A 21 6.882 -1.846 -7.786 1.00 14.36 O ATOM 0 H ASP A 21 9.097 1.020 -6.674 1.00 7.50 H new ATOM 0 HA ASP A 21 7.010 2.077 -8.411 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.042 0.001 -6.107 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.544 0.480 -6.879 1.00 11.00 H new ATOM 339 N THR A 22 5.808 3.608 -6.953 1.00 5.37 N ATOM 340 CA THR A 22 5.087 4.538 -6.144 1.00 6.01 C ATOM 341 C THR A 22 4.039 3.762 -5.407 1.00 8.01 C ATOM 342 O THR A 22 3.627 2.665 -5.733 1.00 8.11 O ATOM 343 CB THR A 22 4.333 5.655 -6.939 1.00 8.92 C ATOM 344 OG1 THR A 22 3.525 5.200 -7.980 1.00 10.22 O ATOM 345 CG2 THR A 22 5.349 6.659 -7.571 1.00 9.65 C ATOM 0 H THR A 22 5.587 3.670 -7.947 1.00 5.37 H new ATOM 0 HA THR A 22 5.823 5.033 -5.510 1.00 6.01 H new ATOM 0 HB THR A 22 3.690 6.118 -6.190 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.094 5.964 -8.417 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.806 7.429 -8.120 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.939 7.124 -6.782 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.011 6.126 -8.253 1.00 9.65 H new ATOM 353 N ILE A 23 3.480 4.315 -4.326 1.00 8.32 N ATOM 354 CA ILE A 23 2.394 3.893 -3.452 1.00 9.92 C ATOM 355 C ILE A 23 1.129 3.720 -4.219 1.00 10.01 C ATOM 356 O ILE A 23 0.253 2.863 -3.953 1.00 8.71 O ATOM 357 CB ILE A 23 2.266 4.905 -2.309 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.489 4.928 -1.405 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.956 4.941 -1.484 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.839 3.604 -0.676 1.00 12.30 C ATOM 0 H ILE A 23 3.843 5.211 -4.000 1.00 8.32 H new ATOM 0 HA ILE A 23 2.613 2.917 -3.020 1.00 9.92 H new ATOM 0 HB ILE A 23 2.204 5.833 -2.877 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.350 5.225 -2.004 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.342 5.703 -0.652 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.030 5.712 -0.717 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.117 5.165 -2.143 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.797 3.972 -1.011 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.729 3.750 -0.064 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.005 3.308 -0.039 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.029 2.823 -1.412 1.00 12.30 H new ATOM 372 N GLU A 24 0.892 4.484 -5.298 1.00 9.54 N ATOM 373 CA GLU A 24 -0.165 4.380 -6.256 1.00 11.81 C ATOM 374 C GLU A 24 -0.186 3.073 -7.008 1.00 11.14 C ATOM 375 O GLU A 24 -1.168 2.419 -7.360 1.00 10.62 O ATOM 376 CB GLU A 24 0.066 5.485 -7.277 1.00 19.24 C ATOM 377 CG GLU A 24 -0.652 5.412 -8.669 1.00 27.76 C ATOM 378 CD GLU A 24 -0.385 6.480 -9.634 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.088 7.515 -9.625 1.00 36.51 O ATOM 380 OE2 GLU A 24 0.555 6.324 -10.469 1.00 34.80 O ATOM 0 H GLU A 24 1.513 5.262 -5.522 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.110 4.453 -5.718 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.222 6.427 -6.810 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.138 5.537 -7.465 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.382 4.465 -9.135 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.727 5.384 -8.490 1.00 27.76 H new ATOM 387 N ASN A 25 1.061 2.680 -7.363 1.00 9.43 N ATOM 388 CA ASN A 25 1.365 1.340 -7.936 1.00 10.96 C ATOM 389 C ASN A 25 1.219 0.112 -6.941 1.00 9.68 C ATOM 390 O ASN A 25 0.927 -1.037 -7.399 1.00 9.33 O ATOM 391 CB ASN A 25 2.791 1.317 -8.569 1.00 16.78 C ATOM 392 CG ASN A 25 3.056 0.258 -9.644 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.654 -0.773 -9.290 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.794 0.506 -10.947 1.00 24.70 N ATOM 0 H ASN A 25 1.882 3.277 -7.262 1.00 9.43 H new ATOM 0 HA ASN A 25 0.593 1.200 -8.693 1.00 10.96 H new ATOM 0 HB2 ASN A 25 2.985 2.298 -9.004 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.516 1.175 -7.767 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.088 -0.159 -11.662 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.302 1.358 -11.215 1.00 24.70 H new ATOM 401 N VAL A 26 1.285 0.388 -5.609 1.00 6.52 N ATOM 402 CA VAL A 26 1.042 -0.686 -4.668 1.00 5.53 C ATOM 403 C VAL A 26 -0.471 -0.894 -4.534 1.00 4.42 C ATOM 404 O VAL A 26 -0.973 -2.046 -4.538 1.00 3.40 O ATOM 405 CB VAL A 26 1.719 -0.502 -3.327 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.747 -1.872 -2.454 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.173 -0.110 -3.490 1.00 8.12 C ATOM 0 H VAL A 26 1.494 1.299 -5.201 1.00 6.52 H new ATOM 0 HA VAL A 26 1.503 -1.588 -5.070 1.00 5.53 H new ATOM 0 HB VAL A 26 1.138 0.272 -2.826 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.243 -1.686 -1.501 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.726 -2.208 -2.272 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.290 -2.642 -3.002 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.629 0.014 -2.508 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.701 -0.890 -4.039 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.237 0.828 -4.041 1.00 8.12 H new ATOM 417 N LYS A 27 -1.275 0.235 -4.552 1.00 2.64 N ATOM 418 CA LYS A 27 -2.741 0.202 -4.653 1.00 4.14 C ATOM 419 C LYS A 27 -3.283 -0.507 -5.863 1.00 5.58 C ATOM 420 O LYS A 27 -4.303 -1.275 -5.881 1.00 4.11 O ATOM 421 CB LYS A 27 -3.297 1.567 -4.516 1.00 3.97 C ATOM 422 CG LYS A 27 -2.990 2.304 -3.179 1.00 7.45 C ATOM 423 CD LYS A 27 -3.549 3.721 -3.144 1.00 9.02 C ATOM 424 CE LYS A 27 -3.242 4.396 -1.790 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.899 5.699 -1.697 1.00 15.47 N ATOM 0 H LYS A 27 -0.897 1.181 -4.495 1.00 2.64 H new ATOM 0 HA LYS A 27 -3.080 -0.412 -3.818 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.918 2.175 -5.337 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.379 1.510 -4.635 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.408 1.733 -2.350 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.911 2.340 -3.029 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.117 4.308 -3.955 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.626 3.696 -3.308 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.579 3.755 -0.975 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.165 4.518 -1.676 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.453 6.260 -0.944 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.806 6.200 -2.603 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.907 5.565 -1.478 1.00 15.47 H new ATOM 439 N ALA A 28 -2.556 -0.320 -7.020 1.00 6.61 N ATOM 440 CA ALA A 28 -2.824 -0.944 -8.319 1.00 7.74 C ATOM 441 C ALA A 28 -2.649 -2.483 -8.277 1.00 9.17 C ATOM 442 O ALA A 28 -3.438 -3.220 -8.863 1.00 11.45 O ATOM 443 CB ALA A 28 -1.851 -0.391 -9.322 1.00 7.68 C ATOM 0 H ALA A 28 -1.744 0.296 -7.047 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.857 -0.725 -8.588 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.035 -0.844 -10.296 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -1.978 0.689 -9.395 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.833 -0.616 -9.004 1.00 7.68 H new ATOM 449 N LYS A 29 -1.595 -2.980 -7.595 1.00 8.96 N ATOM 450 CA LYS A 29 -1.357 -4.377 -7.331 1.00 7.90 C ATOM 451 C LYS A 29 -2.443 -4.955 -6.397 1.00 6.92 C ATOM 452 O LYS A 29 -2.818 -6.142 -6.553 1.00 6.87 O ATOM 453 CB LYS A 29 0.046 -4.592 -6.752 1.00 10.28 C ATOM 454 CG LYS A 29 0.630 -5.985 -7.092 1.00 14.94 C ATOM 455 CD LYS A 29 2.125 -6.039 -7.394 1.00 19.69 C ATOM 456 CE LYS A 29 2.575 -5.710 -8.755 1.00 22.63 C ATOM 457 NZ LYS A 29 3.983 -5.522 -8.841 1.00 24.98 N ATOM 0 H LYS A 29 -0.869 -2.378 -7.206 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.413 -4.915 -8.277 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.714 -3.820 -7.135 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.009 -4.473 -5.669 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.426 -6.654 -6.256 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.093 -6.379 -7.955 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.628 -5.361 -6.705 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.475 -7.045 -7.163 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.278 -6.509 -9.434 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.071 -4.803 -9.090 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.340 -5.964 -9.712 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.197 -4.504 -8.856 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.443 -5.960 -8.017 1.00 24.98 H new ATOM 471 N ILE A 30 -2.911 -4.211 -5.349 1.00 4.57 N ATOM 472 CA ILE A 30 -4.019 -4.588 -4.509 1.00 5.58 C ATOM 473 C ILE A 30 -5.378 -4.636 -5.245 1.00 7.26 C ATOM 474 O ILE A 30 -6.228 -5.431 -5.084 1.00 9.46 O ATOM 475 CB ILE A 30 -4.037 -3.778 -3.198 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.679 -4.082 -2.440 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.301 -4.084 -2.314 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.435 -3.134 -1.269 1.00 2.00 C ATOM 0 H ILE A 30 -2.497 -3.317 -5.085 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.852 -5.626 -4.223 1.00 5.58 H new ATOM 0 HB ILE A 30 -4.113 -2.713 -3.420 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.693 -5.109 -2.074 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.850 -4.006 -3.143 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.262 -3.486 -1.403 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.204 -3.836 -2.872 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.315 -5.142 -2.053 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.491 -3.388 -0.786 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.391 -2.108 -1.634 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.248 -3.228 -0.549 1.00 2.00 H new ATOM 490 N GLN A 31 -5.566 -3.743 -6.225 1.00 7.06 N ATOM 491 CA GLN A 31 -6.628 -3.875 -7.205 1.00 8.67 C ATOM 492 C GLN A 31 -6.473 -5.071 -8.136 1.00 10.90 C ATOM 493 O GLN A 31 -7.434 -5.740 -8.440 1.00 9.63 O ATOM 494 CB GLN A 31 -6.847 -2.573 -8.068 1.00 9.12 C ATOM 495 CG GLN A 31 -8.096 -2.531 -8.994 1.00 10.76 C ATOM 496 CD GLN A 31 -8.142 -1.278 -9.980 1.00 13.78 C ATOM 497 OE1 GLN A 31 -8.957 -0.367 -9.811 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.268 -1.281 -10.984 1.00 14.76 N ATOM 0 H GLN A 31 -4.984 -2.915 -6.352 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.512 -4.042 -6.590 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.903 -1.723 -7.388 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.963 -2.427 -8.688 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.125 -3.446 -9.586 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.993 -2.524 -8.374 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.611 -2.055 -11.086 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.255 -0.509 -11.651 1.00 14.76 H new ATOM 507 N ASP A 32 -5.207 -5.365 -8.536 1.00 10.93 N ATOM 508 CA ASP A 32 -4.893 -6.560 -9.210 1.00 14.01 C ATOM 509 C ASP A 32 -5.217 -7.922 -8.459 1.00 14.04 C ATOM 510 O ASP A 32 -5.977 -8.806 -8.903 1.00 13.39 O ATOM 511 CB ASP A 32 -3.442 -6.387 -9.707 1.00 18.01 C ATOM 512 CG ASP A 32 -3.161 -7.297 -10.846 1.00 24.33 C ATOM 513 OD1 ASP A 32 -2.709 -8.445 -10.513 1.00 26.29 O ATOM 514 OD2 ASP A 32 -3.332 -6.972 -12.033 1.00 25.17 O ATOM 0 H ASP A 32 -4.407 -4.751 -8.379 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.576 -6.698 -10.048 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.279 -5.354 -10.013 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.747 -6.592 -8.892 1.00 18.01 H new ATOM 519 N LYS A 33 -4.734 -8.049 -7.189 1.00 14.22 N ATOM 520 CA LYS A 33 -5.029 -9.235 -6.320 1.00 14.00 C ATOM 521 C LYS A 33 -6.468 -9.282 -5.886 1.00 12.37 C ATOM 522 O LYS A 33 -7.194 -10.259 -6.094 1.00 12.17 O ATOM 523 CB LYS A 33 -4.192 -9.101 -5.034 1.00 18.62 C ATOM 524 CG LYS A 33 -2.716 -9.474 -5.193 1.00 24.00 C ATOM 525 CD LYS A 33 -2.493 -11.009 -5.571 1.00 27.61 C ATOM 526 CE LYS A 33 -1.070 -11.446 -5.887 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.001 -12.920 -5.875 1.00 30.06 N ATOM 0 H LYS A 33 -4.141 -7.349 -6.743 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.799 -10.131 -6.896 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.257 -8.072 -4.679 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.632 -9.733 -4.262 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.271 -8.848 -5.966 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.190 -9.255 -4.264 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.858 -11.617 -4.743 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.117 -11.239 -6.435 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.768 -11.064 -6.862 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.378 -11.032 -5.154 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.030 -13.224 -6.091 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.274 -13.273 -4.935 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.651 -13.304 -6.591 1.00 30.06 H new ATOM 541 N GLU A 34 -7.051 -8.154 -5.406 1.00 10.11 N ATOM 542 CA GLU A 34 -8.239 -8.167 -4.545 1.00 10.07 C ATOM 543 C GLU A 34 -9.437 -7.443 -5.167 1.00 9.32 C ATOM 544 O GLU A 34 -10.565 -7.549 -4.653 1.00 11.61 O ATOM 545 CB GLU A 34 -8.011 -7.545 -3.135 1.00 14.77 C ATOM 546 CG GLU A 34 -6.967 -8.315 -2.330 1.00 18.75 C ATOM 547 CD GLU A 34 -7.522 -9.624 -1.661 1.00 22.28 C ATOM 548 OE1 GLU A 34 -7.760 -10.589 -2.426 1.00 25.19 O ATOM 549 OE2 GLU A 34 -7.692 -9.666 -0.411 1.00 21.95 O ATOM 0 H GLU A 34 -6.704 -7.217 -5.610 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.449 -9.231 -4.439 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.692 -6.508 -3.244 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.954 -7.533 -2.588 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.137 -8.577 -2.986 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.567 -7.663 -1.554 1.00 18.75 H new ATOM 556 N GLY A 35 -9.231 -6.689 -6.283 1.00 7.22 N ATOM 557 CA GLY A 35 -10.356 -6.000 -6.928 1.00 6.29 C ATOM 558 C GLY A 35 -10.806 -4.692 -6.238 1.00 6.93 C ATOM 559 O GLY A 35 -11.906 -4.239 -6.497 1.00 7.41 O ATOM 0 H GLY A 35 -8.326 -6.553 -6.732 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.081 -5.773 -7.958 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.205 -6.682 -6.968 1.00 6.29 H new ATOM 563 N ILE A 36 -10.008 -4.075 -5.332 1.00 5.86 N ATOM 564 CA ILE A 36 -10.494 -2.879 -4.592 1.00 6.07 C ATOM 565 C ILE A 36 -10.091 -1.621 -5.415 1.00 6.36 C ATOM 566 O ILE A 36 -8.955 -1.568 -5.822 1.00 6.18 O ATOM 567 CB ILE A 36 -9.932 -2.813 -3.152 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.277 -4.164 -2.508 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.384 -1.525 -2.510 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.798 -4.200 -1.025 1.00 9.49 C ATOM 0 H ILE A 36 -9.059 -4.370 -5.100 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.577 -2.933 -4.483 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.850 -2.730 -3.047 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.353 -4.331 -2.553 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.806 -4.972 -3.068 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.993 -1.468 -1.494 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.013 -0.680 -3.089 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.473 -1.495 -2.482 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -10.051 -5.164 -0.584 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.718 -4.056 -0.988 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -10.290 -3.405 -0.464 1.00 9.49 H new ATOM 582 N PRO A 37 -10.924 -0.575 -5.617 1.00 8.65 N ATOM 583 CA PRO A 37 -10.421 0.514 -6.436 1.00 9.18 C ATOM 584 C PRO A 37 -9.421 1.361 -5.711 1.00 9.85 C ATOM 585 O PRO A 37 -9.711 1.584 -4.522 1.00 8.51 O ATOM 586 CB PRO A 37 -11.687 1.325 -6.786 1.00 11.42 C ATOM 587 CG PRO A 37 -12.712 0.177 -6.844 1.00 9.27 C ATOM 588 CD PRO A 37 -12.381 -0.771 -5.709 1.00 8.33 C ATOM 0 HA PRO A 37 -9.888 0.149 -7.314 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.932 2.068 -6.027 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.597 1.855 -7.734 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.727 0.561 -6.742 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.661 -0.338 -7.804 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.895 -0.507 -4.785 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.648 -1.803 -5.939 1.00 8.33 H new ATOM 596 N PRO A 38 -8.294 1.903 -6.221 1.00 8.71 N ATOM 597 CA PRO A 38 -7.335 2.751 -5.470 1.00 9.08 C ATOM 598 C PRO A 38 -7.960 3.965 -4.838 1.00 9.28 C ATOM 599 O PRO A 38 -7.461 4.391 -3.813 1.00 6.50 O ATOM 600 CB PRO A 38 -6.222 3.008 -6.428 1.00 10.31 C ATOM 601 CG PRO A 38 -6.161 1.705 -7.151 1.00 10.81 C ATOM 602 CD PRO A 38 -7.662 1.391 -7.415 1.00 12.00 C ATOM 0 HA PRO A 38 -6.950 2.253 -4.580 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.438 3.841 -7.097 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.286 3.242 -5.920 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.594 1.783 -8.079 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.685 0.930 -6.550 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.030 1.885 -8.314 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.838 0.323 -7.543 1.00 12.00 H new ATOM 610 N ASP A 39 -9.037 4.513 -5.372 1.00 11.20 N ATOM 611 CA ASP A 39 -9.674 5.715 -4.746 1.00 14.96 C ATOM 612 C ASP A 39 -10.557 5.306 -3.552 1.00 13.99 C ATOM 613 O ASP A 39 -10.865 6.131 -2.731 1.00 13.75 O ATOM 614 CB ASP A 39 -10.605 6.353 -5.922 1.00 24.16 C ATOM 615 CG ASP A 39 -9.737 7.062 -6.878 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.039 6.418 -7.691 1.00 35.55 O ATOM 617 OD2 ASP A 39 -9.697 8.347 -6.831 1.00 34.22 O ATOM 0 H ASP A 39 -9.498 4.174 -6.216 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.929 6.416 -4.369 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.164 5.567 -6.430 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.336 7.039 -5.495 1.00 24.16 H new ATOM 622 N GLN A 40 -10.806 4.018 -3.408 1.00 11.60 N ATOM 623 CA GLN A 40 -11.388 3.382 -2.249 1.00 10.76 C ATOM 624 C GLN A 40 -10.309 2.926 -1.234 1.00 8.01 C ATOM 625 O GLN A 40 -10.661 2.457 -0.108 1.00 8.96 O ATOM 626 CB GLN A 40 -12.244 2.089 -2.627 1.00 11.14 C ATOM 627 CG GLN A 40 -13.289 1.863 -1.543 1.00 14.85 C ATOM 628 CD GLN A 40 -13.919 0.518 -1.757 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.321 0.223 -2.881 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.008 -0.293 -0.656 1.00 18.16 N ATOM 0 H GLN A 40 -10.592 3.348 -4.147 1.00 11.60 H new ATOM 0 HA GLN A 40 -12.033 4.143 -1.809 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.727 2.225 -3.595 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.595 1.218 -2.714 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.827 1.912 -0.557 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -14.047 2.646 -1.579 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -13.649 0.027 0.244 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.433 -1.217 -0.736 1.00 18.16 H new ATOM 639 N GLN A 41 -8.973 3.163 -1.607 1.00 6.52 N ATOM 640 CA GLN A 41 -7.854 2.678 -0.838 1.00 3.87 C ATOM 641 C GLN A 41 -6.942 3.724 -0.199 1.00 4.79 C ATOM 642 O GLN A 41 -6.413 4.656 -0.841 1.00 6.34 O ATOM 643 CB GLN A 41 -6.840 1.798 -1.645 1.00 4.20 C ATOM 644 CG GLN A 41 -7.468 0.487 -2.181 1.00 3.20 C ATOM 645 CD GLN A 41 -6.406 -0.335 -2.873 1.00 4.89 C ATOM 646 OE1 GLN A 41 -5.291 -0.442 -2.339 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.734 -0.961 -4.013 1.00 7.13 N ATOM 0 H GLN A 41 -8.707 3.689 -2.439 1.00 6.52 H new ATOM 0 HA GLN A 41 -8.415 2.128 -0.083 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.452 2.377 -2.483 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.991 1.553 -1.006 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.905 -0.081 -1.360 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -8.276 0.716 -2.876 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.665 -0.840 -4.412 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -6.052 -1.558 -4.481 1.00 7.13 H new ATOM 656 N ARG A 42 -6.583 3.578 1.048 1.00 5.73 N ATOM 657 CA ARG A 42 -5.527 4.233 1.707 1.00 6.97 C ATOM 658 C ARG A 42 -4.394 3.273 2.168 1.00 7.15 C ATOM 659 O ARG A 42 -4.656 2.187 2.609 1.00 7.33 O ATOM 660 CB ARG A 42 -6.010 4.968 2.983 1.00 13.23 C ATOM 661 CG ARG A 42 -6.967 6.169 2.650 1.00 21.27 C ATOM 662 CD ARG A 42 -7.282 6.928 3.943 1.00 26.14 C ATOM 663 NE ARG A 42 -8.089 8.109 3.407 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.213 8.585 4.004 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.831 7.840 4.847 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.778 9.678 3.571 1.00 36.39 N ATOM 0 H ARG A 42 -7.078 2.937 1.668 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.145 4.930 0.961 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.528 4.262 3.633 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.147 5.336 3.537 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.497 6.836 1.927 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.887 5.802 2.195 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.855 6.323 4.646 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.379 7.249 4.462 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.766 8.566 2.554 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.477 6.907 5.059 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.676 8.181 5.305 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.376 10.181 2.780 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.622 10.030 4.024 1.00 36.39 H new ATOM 680 N LEU A 43 -3.119 3.717 2.145 1.00 4.65 N ATOM 681 CA LEU A 43 -2.047 2.874 2.678 1.00 3.51 C ATOM 682 C LEU A 43 -1.304 3.573 3.794 1.00 5.56 C ATOM 683 O LEU A 43 -1.082 4.800 3.781 1.00 4.19 O ATOM 684 CB LEU A 43 -1.066 2.408 1.551 1.00 3.74 C ATOM 685 CG LEU A 43 -1.677 1.489 0.439 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.556 1.064 -0.512 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.467 0.333 0.857 1.00 6.41 C ATOM 0 H LEU A 43 -2.821 4.620 1.776 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.513 1.981 3.095 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.648 3.294 1.072 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.236 1.877 2.017 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.429 2.112 -0.045 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.965 0.423 -1.293 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.109 1.949 -0.966 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.205 0.517 0.044 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.821 -0.203 -0.023 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.849 -0.330 1.462 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.321 0.669 1.445 1.00 6.41 H new ATOM 699 N ILE A 44 -0.950 2.880 4.883 1.00 4.58 N ATOM 700 CA ILE A 44 -0.231 3.401 6.038 1.00 5.55 C ATOM 701 C ILE A 44 1.014 2.470 6.230 1.00 5.46 C ATOM 702 O ILE A 44 0.962 1.280 6.042 1.00 6.04 O ATOM 703 CB ILE A 44 -1.084 3.399 7.333 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.318 4.359 7.161 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.219 3.793 8.549 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.277 4.515 8.353 1.00 13.90 C ATOM 0 H ILE A 44 -1.172 1.889 4.981 1.00 4.58 H new ATOM 0 HA ILE A 44 0.040 4.441 5.858 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.462 2.393 7.515 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.939 5.348 6.904 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.899 4.008 6.308 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.833 3.787 9.450 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.597 3.079 8.661 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.190 4.792 8.396 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.077 5.206 8.088 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.704 3.545 8.606 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.730 4.905 9.211 1.00 13.90 H new ATOM 718 N PHE A 45 2.218 2.977 6.602 1.00 6.75 N ATOM 719 CA PHE A 45 3.379 2.283 7.053 1.00 4.70 C ATOM 720 C PHE A 45 3.986 2.957 8.269 1.00 6.34 C ATOM 721 O PHE A 45 4.312 4.143 8.240 1.00 5.45 O ATOM 722 CB PHE A 45 4.347 2.101 5.829 1.00 5.51 C ATOM 723 CG PHE A 45 5.725 1.566 6.247 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.860 0.168 6.541 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.815 2.420 6.494 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.063 -0.338 7.050 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.058 1.862 6.932 1.00 6.64 C ATOM 728 CZ PHE A 45 8.177 0.527 7.148 1.00 6.84 C ATOM 0 H PHE A 45 2.380 3.984 6.579 1.00 6.75 H new ATOM 0 HA PHE A 45 3.132 1.284 7.413 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.896 1.415 5.112 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.470 3.058 5.321 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.028 -0.499 6.369 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.715 3.486 6.355 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.138 -1.369 7.362 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.908 2.508 7.092 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.144 0.117 7.400 1.00 6.84 H new ATOM 738 N ALA A 46 4.132 2.209 9.355 1.00 6.53 N ATOM 739 CA ALA A 46 4.885 2.508 10.520 1.00 7.15 C ATOM 740 C ALA A 46 4.419 3.824 11.168 1.00 9.00 C ATOM 741 O ALA A 46 5.148 4.677 11.528 1.00 11.15 O ATOM 742 CB ALA A 46 6.395 2.428 10.221 1.00 8.99 C ATOM 0 H ALA A 46 3.676 1.299 9.428 1.00 6.53 H new ATOM 0 HA ALA A 46 4.698 1.750 11.280 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.958 2.660 11.125 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.647 1.422 9.885 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.650 3.145 9.441 1.00 8.99 H new ATOM 748 N GLY A 47 3.096 4.008 11.309 1.00 9.35 N ATOM 749 CA GLY A 47 2.439 5.183 11.951 1.00 11.68 C ATOM 750 C GLY A 47 2.338 6.303 11.004 1.00 11.14 C ATOM 751 O GLY A 47 1.996 7.405 11.413 1.00 13.93 O ATOM 0 H GLY A 47 2.420 3.323 10.970 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.445 4.904 12.300 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.009 5.491 12.827 1.00 11.68 H new ATOM 755 N LYS A 48 2.662 6.128 9.685 1.00 10.47 N ATOM 756 CA LYS A 48 2.617 7.154 8.731 1.00 8.82 C ATOM 757 C LYS A 48 1.666 6.813 7.608 1.00 7.68 C ATOM 758 O LYS A 48 1.798 5.761 7.000 1.00 6.47 O ATOM 759 CB LYS A 48 3.986 7.396 8.002 1.00 9.74 C ATOM 760 CG LYS A 48 5.152 7.894 8.871 1.00 14.14 C ATOM 761 CD LYS A 48 6.229 8.623 8.050 1.00 16.32 C ATOM 762 CE LYS A 48 7.554 8.769 8.727 1.00 20.04 C ATOM 763 NZ LYS A 48 8.575 9.277 7.856 1.00 23.92 N ATOM 0 H LYS A 48 2.961 5.231 9.302 1.00 10.47 H new ATOM 0 HA LYS A 48 2.318 8.030 9.306 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.289 6.462 7.528 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.823 8.120 7.204 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.768 8.566 9.638 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.604 7.047 9.387 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.375 8.086 7.113 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.858 9.616 7.794 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.448 9.437 9.582 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.866 7.800 9.117 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 9.470 9.357 8.380 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.700 8.628 7.053 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.296 10.215 7.503 1.00 23.92 H new ATOM 777 N GLN A 49 0.649 7.655 7.351 1.00 8.89 N ATOM 778 CA GLN A 49 -0.030 7.674 6.130 1.00 7.18 C ATOM 779 C GLN A 49 0.861 7.852 4.888 1.00 8.23 C ATOM 780 O GLN A 49 1.756 8.735 4.933 1.00 9.70 O ATOM 781 CB GLN A 49 -1.276 8.607 6.206 1.00 11.67 C ATOM 782 CG GLN A 49 -2.272 8.442 5.010 1.00 15.82 C ATOM 783 CD GLN A 49 -3.384 9.522 4.998 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.491 9.152 5.434 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.097 10.759 4.539 1.00 20.67 N ATOM 0 H GLN A 49 0.302 8.337 8.026 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.412 6.667 5.964 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.807 8.410 7.137 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -0.939 9.643 6.244 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.717 8.488 4.073 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.732 7.455 5.060 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.159 10.972 4.200 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -3.818 11.480 4.531 1.00 20.67 H new ATOM 794 N LEU A 50 0.679 7.090 3.835 1.00 6.51 N ATOM 795 CA LEU A 50 1.582 7.155 2.603 1.00 7.41 C ATOM 796 C LEU A 50 0.999 7.981 1.454 1.00 8.27 C ATOM 797 O LEU A 50 -0.047 7.525 0.969 1.00 8.34 O ATOM 798 CB LEU A 50 1.854 5.662 2.111 1.00 7.13 C ATOM 799 CG LEU A 50 2.503 4.803 3.208 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.427 3.331 2.661 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.961 5.222 3.531 1.00 9.11 C ATOM 0 H LEU A 50 -0.072 6.404 3.761 1.00 6.51 H new ATOM 0 HA LEU A 50 2.503 7.659 2.894 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.914 5.205 1.802 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.502 5.681 1.235 1.00 7.13 H new ATOM 0 HG LEU A 50 1.981 4.922 4.157 1.00 7.53 H new ATOM 0 HD11 LEU A 50 2.871 2.650 3.387 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.385 3.057 2.497 1.00 8.14 H new ATOM 0 HD13 LEU A 50 2.972 3.264 1.720 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.360 4.576 4.313 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.574 5.128 2.634 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.975 6.257 3.873 1.00 9.11 H new ATOM 813 N GLU A 51 1.649 9.006 0.963 1.00 9.43 N ATOM 814 CA GLU A 51 1.194 9.748 -0.232 1.00 11.90 C ATOM 815 C GLU A 51 1.463 8.992 -1.554 1.00 11.49 C ATOM 816 O GLU A 51 2.503 8.387 -1.752 1.00 9.88 O ATOM 817 CB GLU A 51 1.625 11.229 -0.212 1.00 16.56 C ATOM 818 CG GLU A 51 3.095 11.624 -0.608 1.00 26.06 C ATOM 819 CD GLU A 51 3.340 13.069 -0.635 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.621 13.697 -1.459 1.00 33.44 O ATOM 821 OE2 GLU A 51 4.256 13.487 0.082 1.00 32.13 O ATOM 0 H GLU A 51 2.513 9.367 1.367 1.00 9.43 H new ATOM 0 HA GLU A 51 0.106 9.792 -0.184 1.00 11.90 H new ATOM 0 HB2 GLU A 51 0.953 11.772 -0.877 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.448 11.605 0.796 1.00 16.56 H new ATOM 0 HG2 GLU A 51 3.786 11.162 0.097 1.00 26.06 H new ATOM 0 HG3 GLU A 51 3.319 11.210 -1.591 1.00 26.06 H new ATOM 828 N ASP A 52 0.383 8.995 -2.416 1.00 12.71 N ATOM 829 CA ASP A 52 0.276 8.099 -3.509 1.00 16.56 C ATOM 830 C ASP A 52 1.496 8.225 -4.543 1.00 15.83 C ATOM 831 O ASP A 52 1.922 7.195 -5.141 1.00 17.21 O ATOM 832 CB ASP A 52 -1.071 8.391 -4.228 1.00 21.05 C ATOM 833 CG ASP A 52 -2.296 8.255 -3.355 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.536 9.188 -2.553 1.00 28.37 O ATOM 835 OD2 ASP A 52 -3.054 7.294 -3.570 1.00 25.82 O ATOM 0 H ASP A 52 -0.405 9.636 -2.327 1.00 12.71 H new ATOM 0 HA ASP A 52 0.311 7.079 -3.127 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.040 9.403 -4.631 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.169 7.713 -5.076 1.00 21.05 H new ATOM 840 N GLY A 53 1.998 9.474 -4.743 1.00 15.00 N ATOM 841 CA GLY A 53 3.051 9.733 -5.726 1.00 11.77 C ATOM 842 C GLY A 53 4.506 9.513 -5.315 1.00 11.10 C ATOM 843 O GLY A 53 5.438 9.648 -6.097 1.00 11.25 O ATOM 0 H GLY A 53 1.685 10.301 -4.235 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.854 9.105 -6.595 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.952 10.768 -6.052 1.00 11.77 H new ATOM 847 N ARG A 54 4.740 9.144 -4.033 1.00 8.53 N ATOM 848 CA ARG A 54 6.039 8.840 -3.492 1.00 9.05 C ATOM 849 C ARG A 54 6.338 7.368 -3.690 1.00 8.96 C ATOM 850 O ARG A 54 5.457 6.513 -3.575 1.00 11.60 O ATOM 851 CB ARG A 54 6.195 9.228 -2.041 1.00 7.97 C ATOM 852 CG ARG A 54 6.523 10.699 -1.726 1.00 9.62 C ATOM 853 CD ARG A 54 6.679 11.016 -0.233 1.00 12.20 C ATOM 854 NE ARG A 54 6.699 12.462 -0.026 1.00 18.23 N ATOM 855 CZ ARG A 54 7.766 13.265 0.097 1.00 22.08 C ATOM 856 NH1 ARG A 54 8.967 12.884 -0.160 1.00 25.50 N ATOM 857 NH2 ARG A 54 7.611 14.535 0.449 1.00 23.38 N ATOM 0 H ARG A 54 3.992 9.054 -3.346 1.00 8.53 H new ATOM 0 HA ARG A 54 6.762 9.445 -4.038 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.270 8.972 -1.524 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.982 8.609 -1.611 1.00 7.97 H new ATOM 0 HG2 ARG A 54 7.446 10.969 -2.239 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.734 11.329 -2.137 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.857 10.572 0.329 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.600 10.574 0.146 1.00 12.20 H new ATOM 0 HE ARG A 54 5.788 12.917 0.032 1.00 18.23 H new ATOM 0 HH11 ARG A 54 9.143 11.930 -0.474 1.00 25.50 H new ATOM 0 HH12 ARG A 54 9.744 13.536 -0.050 1.00 25.50 H new ATOM 0 HH21 ARG A 54 6.677 14.904 0.627 1.00 23.38 H new ATOM 0 HH22 ARG A 54 8.426 15.142 0.541 1.00 23.38 H new ATOM 871 N THR A 55 7.627 7.065 -3.768 1.00 9.05 N ATOM 872 CA THR A 55 8.195 5.747 -3.906 1.00 9.03 C ATOM 873 C THR A 55 8.349 4.990 -2.633 1.00 8.15 C ATOM 874 O THR A 55 8.463 5.565 -1.548 1.00 5.91 O ATOM 875 CB THR A 55 9.398 5.596 -4.880 1.00 11.15 C ATOM 876 OG1 THR A 55 10.544 6.202 -4.318 1.00 11.95 O ATOM 877 CG2 THR A 55 9.063 6.213 -6.225 1.00 11.71 C ATOM 0 H THR A 55 8.345 7.789 -3.733 1.00 9.05 H new ATOM 0 HA THR A 55 7.396 5.236 -4.443 1.00 9.03 H new ATOM 0 HB THR A 55 9.606 4.537 -5.036 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.257 5.535 -4.230 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.913 6.101 -6.898 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.195 5.710 -6.650 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.841 7.272 -6.094 1.00 11.71 H new ATOM 885 N LEU A 56 8.429 3.687 -2.748 1.00 6.91 N ATOM 886 CA LEU A 56 8.725 2.827 -1.724 1.00 8.29 C ATOM 887 C LEU A 56 10.107 3.094 -1.096 1.00 8.05 C ATOM 888 O LEU A 56 10.234 3.212 0.146 1.00 10.17 O ATOM 889 CB LEU A 56 8.630 1.329 -2.110 1.00 6.60 C ATOM 890 CG LEU A 56 7.211 0.780 -2.462 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.161 -0.639 -3.129 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.324 0.802 -1.253 1.00 8.64 C ATOM 0 H LEU A 56 8.272 3.208 -3.635 1.00 6.91 H new ATOM 0 HA LEU A 56 7.950 3.034 -0.986 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.283 1.157 -2.966 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.027 0.740 -1.283 1.00 6.60 H new ATOM 0 HG LEU A 56 6.849 1.463 -3.231 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.124 -0.912 -3.326 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.716 -0.620 -4.067 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.608 -1.372 -2.458 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.339 0.416 -1.517 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.760 0.180 -0.471 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.227 1.826 -0.891 1.00 8.64 H new ATOM 904 N SER A 57 11.123 3.312 -1.965 1.00 8.92 N ATOM 905 CA SER A 57 12.441 3.835 -1.575 1.00 9.00 C ATOM 906 C SER A 57 12.483 5.183 -0.919 1.00 9.44 C ATOM 907 O SER A 57 13.157 5.360 0.090 1.00 10.91 O ATOM 908 CB SER A 57 13.432 3.827 -2.750 1.00 10.32 C ATOM 909 OG SER A 57 13.048 4.669 -3.810 1.00 13.59 O ATOM 0 H SER A 57 11.043 3.126 -2.965 1.00 8.92 H new ATOM 0 HA SER A 57 12.734 3.129 -0.798 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.414 4.133 -2.390 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.533 2.808 -3.123 1.00 10.32 H new ATOM 0 HG SER A 57 13.717 4.622 -4.524 1.00 13.59 H new ATOM 915 N ASP A 58 11.739 6.150 -1.397 1.00 9.11 N ATOM 916 CA ASP A 58 11.625 7.434 -0.716 1.00 7.91 C ATOM 917 C ASP A 58 11.132 7.316 0.722 1.00 9.12 C ATOM 918 O ASP A 58 11.599 7.992 1.625 1.00 8.61 O ATOM 919 CB ASP A 58 10.671 8.354 -1.487 1.00 8.41 C ATOM 920 CG ASP A 58 10.903 9.753 -1.005 1.00 11.50 C ATOM 921 OD1 ASP A 58 12.063 10.236 -1.191 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.997 10.401 -0.409 1.00 11.70 O ATOM 0 H ASP A 58 11.198 6.080 -2.259 1.00 9.11 H new ATOM 0 HA ASP A 58 12.632 7.850 -0.685 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.854 8.283 -2.559 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.635 8.058 -1.320 1.00 8.41 H new ATOM 927 N TYR A 59 10.184 6.323 1.001 1.00 7.97 N ATOM 928 CA TYR A 59 9.552 6.206 2.284 1.00 8.45 C ATOM 929 C TYR A 59 10.321 5.319 3.329 1.00 10.98 C ATOM 930 O TYR A 59 9.859 5.129 4.500 1.00 12.95 O ATOM 931 CB TYR A 59 8.119 5.711 2.190 1.00 7.94 C ATOM 932 CG TYR A 59 7.171 6.899 2.147 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.077 7.780 3.189 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.230 7.028 1.084 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.104 8.743 3.234 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.230 8.008 1.145 1.00 6.52 C ATOM 937 CZ TYR A 59 5.093 8.780 2.261 1.00 6.76 C ATOM 938 OH TYR A 59 4.022 9.712 2.320 1.00 7.63 O ATOM 0 H TYR A 59 9.881 5.624 0.322 1.00 7.97 H new ATOM 0 HA TYR A 59 9.569 7.231 2.653 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.993 5.100 1.297 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.886 5.077 3.046 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.789 7.715 3.998 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.288 6.369 0.230 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.115 9.479 4.024 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.566 8.152 0.306 1.00 6.52 H new ATOM 0 HH TYR A 59 4.362 10.613 2.138 1.00 7.63 H new ATOM 948 N ASN A 60 11.455 4.739 2.927 1.00 12.38 N ATOM 949 CA ASN A 60 12.359 3.790 3.537 1.00 13.94 C ATOM 950 C ASN A 60 11.676 2.507 3.876 1.00 14.16 C ATOM 951 O ASN A 60 11.937 1.774 4.790 1.00 14.26 O ATOM 952 CB ASN A 60 13.049 4.367 4.783 1.00 19.23 C ATOM 953 CG ASN A 60 13.872 5.580 4.382 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.747 6.718 4.829 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.840 5.375 3.404 1.00 24.09 N ATOM 0 H ASN A 60 11.808 4.978 2.000 1.00 12.38 H new ATOM 0 HA ASN A 60 13.126 3.581 2.791 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.305 4.648 5.528 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.690 3.613 5.241 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.414 6.155 3.084 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.975 4.445 3.007 1.00 24.09 H new ATOM 962 N ILE A 61 10.781 2.073 2.995 1.00 11.08 N ATOM 963 CA ILE A 61 10.085 0.782 3.076 1.00 11.78 C ATOM 964 C ILE A 61 11.059 -0.128 2.361 1.00 13.74 C ATOM 965 O ILE A 61 11.224 0.035 1.147 1.00 14.60 O ATOM 966 CB ILE A 61 8.719 0.778 2.381 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.759 1.770 3.030 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.250 -0.700 2.414 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.652 2.215 2.018 1.00 11.42 C ATOM 0 H ILE A 61 10.508 2.621 2.179 1.00 11.08 H new ATOM 0 HA ILE A 61 9.849 0.495 4.101 1.00 11.78 H new ATOM 0 HB ILE A 61 8.765 1.122 1.348 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.296 1.315 3.906 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.311 2.643 3.379 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.275 -0.783 1.933 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.971 -1.322 1.884 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.174 -1.035 3.449 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.979 2.922 2.503 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.118 2.691 1.155 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.087 1.343 1.690 1.00 11.42 H new ATOM 981 N GLN A 62 11.611 -1.168 3.041 1.00 13.97 N ATOM 982 CA GLN A 62 12.599 -2.001 2.549 1.00 15.52 C ATOM 983 C GLN A 62 12.010 -3.389 2.280 1.00 13.94 C ATOM 984 O GLN A 62 10.841 -3.558 2.561 1.00 12.15 O ATOM 985 CB GLN A 62 13.627 -2.132 3.623 1.00 19.53 C ATOM 986 CG GLN A 62 14.580 -0.863 3.834 1.00 26.38 C ATOM 987 CD GLN A 62 15.485 -1.119 5.047 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.100 -0.796 6.151 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.691 -1.682 4.842 1.00 32.71 N ATOM 0 H GLN A 62 11.324 -1.411 3.989 1.00 13.97 H new ATOM 0 HA GLN A 62 13.019 -1.600 1.627 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.118 -2.341 4.564 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.250 -2.998 3.399 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.183 -0.692 2.943 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.983 0.035 3.992 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.980 -1.940 3.898 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.316 -1.850 5.630 1.00 32.71 H new ATOM 998 N LYS A 63 12.735 -4.349 1.583 1.00 11.73 N ATOM 999 CA LYS A 63 12.366 -5.740 1.499 1.00 11.97 C ATOM 1000 C LYS A 63 11.869 -6.301 2.862 1.00 10.41 C ATOM 1001 O LYS A 63 12.424 -5.926 3.861 1.00 9.59 O ATOM 1002 CB LYS A 63 13.459 -6.698 0.988 1.00 13.73 C ATOM 1003 CG LYS A 63 14.679 -6.957 1.892 1.00 16.98 C ATOM 1004 CD LYS A 63 15.709 -5.799 2.206 1.00 20.19 C ATOM 1005 CE LYS A 63 16.914 -6.376 3.036 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.571 -5.309 3.758 1.00 25.97 N ATOM 0 H LYS A 63 13.592 -4.130 1.075 1.00 11.73 H new ATOM 0 HA LYS A 63 11.569 -5.718 0.755 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.989 -7.659 0.780 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.825 -6.309 0.038 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.299 -7.317 2.848 1.00 16.98 H new ATOM 0 HG3 LYS A 63 15.243 -7.775 1.444 1.00 16.98 H new ATOM 0 HD2 LYS A 63 16.072 -5.359 1.277 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.217 -5.003 2.765 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.556 -7.133 3.734 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.624 -6.867 2.370 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.366 -5.698 4.304 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.927 -4.602 3.084 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.893 -4.859 4.406 1.00 25.97 H new ATOM 1020 N GLU A 64 10.825 -7.155 2.875 1.00 10.04 N ATOM 1021 CA GLU A 64 10.298 -7.972 3.921 1.00 10.94 C ATOM 1022 C GLU A 64 9.528 -7.076 4.930 1.00 9.74 C ATOM 1023 O GLU A 64 9.441 -7.396 6.137 1.00 9.42 O ATOM 1024 CB GLU A 64 11.398 -8.858 4.598 1.00 18.31 C ATOM 1025 CG GLU A 64 11.977 -9.788 3.531 1.00 24.16 C ATOM 1026 CD GLU A 64 12.974 -10.777 4.092 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.624 -11.486 5.040 1.00 31.72 O ATOM 1028 OE2 GLU A 64 14.112 -10.789 3.622 1.00 32.61 O ATOM 0 H GLU A 64 10.278 -7.284 2.024 1.00 10.04 H new ATOM 0 HA GLU A 64 9.594 -8.686 3.494 1.00 10.94 H new ATOM 0 HB2 GLU A 64 12.182 -8.232 5.025 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.971 -9.437 5.417 1.00 18.31 H new ATOM 0 HG2 GLU A 64 11.164 -10.332 3.050 1.00 24.16 H new ATOM 0 HG3 GLU A 64 12.461 -9.190 2.759 1.00 24.16 H new ATOM 1035 N SER A 65 8.942 -5.976 4.395 1.00 6.85 N ATOM 1036 CA SER A 65 8.234 -4.981 5.271 1.00 6.90 C ATOM 1037 C SER A 65 6.716 -5.171 5.325 1.00 4.72 C ATOM 1038 O SER A 65 6.062 -5.492 4.333 1.00 3.91 O ATOM 1039 CB SER A 65 8.399 -3.478 4.831 1.00 7.28 C ATOM 1040 OG SER A 65 9.742 -3.015 5.113 1.00 10.56 O ATOM 0 H SER A 65 8.938 -5.751 3.400 1.00 6.85 H new ATOM 0 HA SER A 65 8.716 -5.176 6.229 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.189 -3.379 3.766 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.675 -2.856 5.358 1.00 7.28 H new ATOM 0 HG SER A 65 10.301 -3.127 4.316 1.00 10.56 H new ATOM 1046 N THR A 66 6.168 -5.039 6.531 1.00 4.48 N ATOM 1047 CA THR A 66 4.705 -5.152 6.706 1.00 3.80 C ATOM 1048 C THR A 66 4.201 -3.769 6.691 1.00 4.60 C ATOM 1049 O THR A 66 4.652 -2.936 7.470 1.00 5.33 O ATOM 1050 CB THR A 66 4.389 -5.663 8.122 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.899 -7.040 8.199 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.896 -5.675 8.439 1.00 3.40 C ATOM 0 H THR A 66 6.691 -4.858 7.388 1.00 4.48 H new ATOM 0 HA THR A 66 4.281 -5.808 5.946 1.00 3.80 H new ATOM 0 HB THR A 66 4.855 -4.993 8.845 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.719 -7.406 9.090 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.742 -6.046 9.452 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.499 -4.663 8.359 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.379 -6.325 7.733 1.00 3.40 H new ATOM 1060 N LEU A 67 3.112 -3.575 5.969 1.00 4.17 N ATOM 1061 CA LEU A 67 2.398 -2.312 5.763 1.00 3.85 C ATOM 1062 C LEU A 67 0.962 -2.526 6.006 1.00 3.80 C ATOM 1063 O LEU A 67 0.503 -3.659 6.144 1.00 5.54 O ATOM 1064 CB LEU A 67 2.533 -1.772 4.335 1.00 7.18 C ATOM 1065 CG LEU A 67 3.948 -1.499 3.836 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.562 -2.736 3.216 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.992 -0.436 2.706 1.00 11.66 C ATOM 0 H LEU A 67 2.666 -4.346 5.473 1.00 4.17 H new ATOM 0 HA LEU A 67 2.838 -1.591 6.452 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.065 -2.485 3.656 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.964 -0.845 4.267 1.00 7.18 H new ATOM 0 HG LEU A 67 4.487 -1.159 4.720 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.570 -2.508 2.870 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.605 -3.532 3.959 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.954 -3.060 2.371 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.024 -0.283 2.391 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.401 -0.782 1.858 1.00 11.66 H new ATOM 0 HD23 LEU A 67 3.582 0.504 3.075 1.00 11.66 H new ATOM 1079 N HIS A 68 0.146 -1.462 6.138 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.308 -1.573 6.420 1.00 4.17 C ATOM 1081 C HIS A 68 -2.187 -1.024 5.276 1.00 5.32 C ATOM 1082 O HIS A 68 -1.934 0.029 4.680 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.651 -0.891 7.726 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.814 -1.213 8.953 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.434 -0.594 9.177 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.113 -1.940 10.024 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.848 -1.114 10.353 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.058 -1.906 10.902 1.00 16.30 N ATOM 0 H HIS A 68 0.471 -0.499 6.053 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.529 -2.637 6.502 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.599 0.185 7.562 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.689 -1.127 7.961 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -2.039 -2.473 10.179 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.811 -0.906 10.795 1.00 14.75 H new ATOM 0 HE2 HIS A 68 0.013 -2.392 11.796 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.296 -1.664 4.907 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.300 -1.152 3.989 1.00 3.97 C ATOM 1098 C LEU A 69 -5.509 -0.855 4.871 1.00 5.07 C ATOM 1099 O LEU A 69 -5.993 -1.694 5.648 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.648 -2.262 3.052 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.886 -2.073 2.126 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.735 -0.879 1.180 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.284 -3.382 1.363 1.00 9.96 C ATOM 0 H LEU A 69 -3.525 -2.594 5.258 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.975 -0.278 3.424 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.781 -2.448 2.418 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.808 -3.162 3.645 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.719 -1.843 2.791 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.626 -0.793 0.557 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.610 0.034 1.763 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.861 -1.026 0.545 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.153 -3.187 0.734 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.451 -3.707 0.740 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.525 -4.164 2.083 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.972 0.423 4.639 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.122 0.961 5.342 1.00 6.26 C ATOM 1117 C VAL A 70 -7.989 1.471 4.260 1.00 9.22 C ATOM 1118 O VAL A 70 -7.511 1.992 3.279 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.833 2.056 6.327 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.147 2.274 7.117 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.632 1.710 7.212 1.00 8.54 C ATOM 0 H VAL A 70 -5.549 1.068 3.971 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.563 0.181 5.963 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.541 2.984 5.835 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.002 3.063 7.854 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.942 2.562 6.429 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.424 1.350 7.625 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.450 2.524 7.914 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.840 0.794 7.765 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.750 1.565 6.588 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.266 1.153 4.298 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.135 1.586 3.240 1.00 16.06 C ATOM 1133 C LEU A 71 -10.943 2.826 3.540 1.00 18.09 C ATOM 1134 O LEU A 71 -10.883 3.398 4.642 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.116 0.331 2.901 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.439 -0.851 2.325 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.461 -1.980 2.023 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.615 -0.574 1.067 1.00 19.57 C ATOM 0 H LEU A 71 -9.712 0.608 5.036 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.515 1.878 2.393 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.626 0.030 3.816 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.884 0.667 2.204 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.732 -1.161 3.094 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.940 -2.839 1.600 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.959 -2.276 2.946 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.202 -1.619 1.310 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.158 -1.501 0.720 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.264 -0.175 0.287 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.835 0.152 1.296 1.00 19.57 H new