USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 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 6 LYS NZ :NH3+ 163:sc= 0.758 (180deg=0.558) USER MOD Set 1.2: A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 165:sc= 1.14 (180deg=0.935) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 164:sc= 1.03 (180deg=0.187) USER MOD Single : A 14 THR OG1 : rot -61:sc= 0.073 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.338 USER MOD Single : A 25 ASN : amide:sc= -0.643 X(o=-0.64,f=-0.26) USER MOD Single : A 27 LYS NZ :NH3+ -158:sc= 1.68 (180deg=0.774) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.515 K(o=-0.51,f=-2.2!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.262 X(o=-0.26,f=-0.017) USER MOD Single : A 41 GLN : amide:sc= 1.41 K(o=1.4,f=-4.3!) USER MOD Single : A 48 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.089) USER MOD Single : A 49 GLN : amide:sc= 0.827 K(o=0.83,f=-7.7!) USER MOD Single : A 55 THR OG1 : rot -27:sc= 1.21 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 150:sc= 0.621 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.0059) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.0041) USER MOD Single : A 63 LYS NZ :NH3+ 135:sc= 1.13 (180deg=-0.669) USER MOD Single : A 65 SER OG : rot 92:sc= 0.94 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0299 X(o=-0.03,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.426 -6.847 -4.596 1.00 9.67 N ATOM 2 CA MET A 1 12.017 -7.317 -3.291 1.00 10.38 C ATOM 3 C MET A 1 10.601 -7.848 -3.100 1.00 9.62 C ATOM 4 O MET A 1 9.778 -7.929 -4.061 1.00 9.62 O ATOM 5 CB MET A 1 12.341 -6.235 -2.249 1.00 13.77 C ATOM 6 CG MET A 1 11.350 -5.015 -2.123 1.00 16.29 C ATOM 7 SD MET A 1 12.060 -3.585 -1.300 1.00 17.17 S ATOM 8 CE MET A 1 10.504 -2.622 -1.031 1.00 16.11 C ATOM 0 H1 MET A 1 13.303 -6.295 -4.507 1.00 9.67 H new ATOM 0 H2 MET A 1 12.591 -7.661 -5.222 1.00 9.67 H new ATOM 0 H3 MET A 1 11.678 -6.247 -4.999 1.00 9.67 H new ATOM 0 HA MET A 1 12.600 -8.229 -3.158 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.404 -6.718 -1.274 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.332 -5.840 -2.474 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.021 -4.722 -3.120 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.463 -5.334 -1.575 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.739 -1.686 -0.524 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.038 -2.407 -1.993 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.817 -3.205 -0.417 1.00 16.11 H new ATOM 20 N GLN A 2 10.239 -8.172 -1.819 1.00 9.27 N ATOM 21 CA GLN A 2 8.887 -8.625 -1.463 1.00 9.07 C ATOM 22 C GLN A 2 8.459 -7.759 -0.298 1.00 8.72 C ATOM 23 O GLN A 2 9.328 -7.353 0.535 1.00 8.22 O ATOM 24 CB GLN A 2 8.848 -10.079 -1.025 1.00 14.46 C ATOM 25 CG GLN A 2 8.763 -11.024 -2.217 1.00 17.01 C ATOM 26 CD GLN A 2 8.353 -12.465 -1.733 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.394 -12.868 -0.581 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.891 -13.271 -2.783 1.00 19.49 N ATOM 0 H GLN A 2 10.879 -8.122 -1.026 1.00 9.27 H new ATOM 0 HA GLN A 2 8.235 -8.543 -2.333 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.740 -10.308 -0.442 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.991 -10.239 -0.371 1.00 14.46 H new ATOM 0 HG2 GLN A 2 8.033 -10.651 -2.936 1.00 17.01 H new ATOM 0 HG3 GLN A 2 9.724 -11.063 -2.730 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.869 -12.905 -3.735 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.577 -14.223 -2.595 1.00 19.49 H new ATOM 37 N ILE A 3 7.175 -7.426 -0.225 1.00 5.87 N ATOM 38 CA ILE A 3 6.398 -6.781 0.844 1.00 5.07 C ATOM 39 C ILE A 3 5.185 -7.654 1.215 1.00 4.01 C ATOM 40 O ILE A 3 4.810 -8.555 0.396 1.00 4.61 O ATOM 41 CB ILE A 3 5.969 -5.340 0.526 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.139 -5.368 -0.729 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.269 -4.427 0.342 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.448 -4.058 -0.904 1.00 10.83 C ATOM 0 H ILE A 3 6.568 -7.627 -1.019 1.00 5.87 H new ATOM 0 HA ILE A 3 7.065 -6.697 1.702 1.00 5.07 H new ATOM 0 HB ILE A 3 5.377 -4.918 1.338 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.773 -5.574 -1.591 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.406 -6.172 -0.674 1.00 4.72 H new ATOM 0 HG21 ILE A 3 6.966 -3.404 0.116 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.854 -4.438 1.261 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.874 -4.816 -0.477 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.848 -4.082 -1.814 1.00 10.83 H new ATOM 0 HD12 ILE A 3 3.801 -3.871 -0.047 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.190 -3.263 -0.979 1.00 10.83 H new ATOM 56 N PHE A 4 4.590 -7.368 2.373 1.00 4.55 N ATOM 57 CA PHE A 4 3.303 -7.923 2.796 1.00 4.68 C ATOM 58 C PHE A 4 2.355 -6.751 2.939 1.00 5.30 C ATOM 59 O PHE A 4 2.768 -5.645 3.313 1.00 5.58 O ATOM 60 CB PHE A 4 3.304 -8.626 4.129 1.00 4.83 C ATOM 61 CG PHE A 4 4.214 -9.809 4.186 1.00 7.97 C ATOM 62 CD1 PHE A 4 3.890 -10.904 3.414 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.442 -9.843 4.911 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.786 -11.979 3.242 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.364 -10.897 4.793 1.00 10.61 C ATOM 66 CZ PHE A 4 6.018 -12.002 3.998 1.00 8.90 C ATOM 0 H PHE A 4 4.997 -6.731 3.058 1.00 4.55 H new ATOM 0 HA PHE A 4 3.028 -8.667 2.048 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.597 -7.917 4.903 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.289 -8.949 4.360 1.00 4.83 H new ATOM 0 HD1 PHE A 4 2.926 -10.939 2.929 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.673 -9.025 5.578 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.554 -12.777 2.552 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.316 -10.858 5.302 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.668 -12.863 3.952 1.00 8.90 H new ATOM 76 N VAL A 5 1.069 -6.892 2.561 1.00 4.44 N ATOM 77 CA VAL A 5 0.018 -5.934 2.819 1.00 3.87 C ATOM 78 C VAL A 5 -1.008 -6.700 3.659 1.00 4.93 C ATOM 79 O VAL A 5 -1.132 -7.895 3.539 1.00 6.84 O ATOM 80 CB VAL A 5 -0.552 -5.413 1.558 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.678 -4.423 1.926 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.516 -4.878 0.584 1.00 9.13 C ATOM 0 H VAL A 5 0.740 -7.711 2.050 1.00 4.44 H new ATOM 0 HA VAL A 5 0.376 -5.049 3.346 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.995 -6.220 0.975 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.120 -4.020 1.015 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.444 -4.941 2.503 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.266 -3.608 2.521 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.032 -4.511 -0.321 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.065 -4.064 1.058 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.207 -5.680 0.326 1.00 9.13 H new ATOM 92 N LYS A 6 -1.527 -6.008 4.709 1.00 6.04 N ATOM 93 CA LYS A 6 -2.293 -6.572 5.772 1.00 6.12 C ATOM 94 C LYS A 6 -3.624 -5.744 6.035 1.00 6.57 C ATOM 95 O LYS A 6 -3.647 -4.577 6.187 1.00 5.76 O ATOM 96 CB LYS A 6 -1.423 -6.807 7.035 1.00 7.45 C ATOM 97 CG LYS A 6 -1.911 -7.855 8.050 1.00 11.12 C ATOM 98 CD LYS A 6 -0.786 -8.137 9.072 1.00 14.54 C ATOM 99 CE LYS A 6 -1.128 -8.929 10.285 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.181 -10.363 10.033 1.00 20.55 N ATOM 0 H LYS A 6 -1.398 -5.001 4.810 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.630 -7.563 5.468 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.425 -7.097 6.706 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.323 -5.855 7.556 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -2.802 -7.494 8.563 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.190 -8.775 7.535 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.018 -8.656 8.550 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.385 -7.178 9.401 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -0.390 -8.729 11.062 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.093 -8.597 10.669 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.135 -10.876 10.936 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -2.070 -10.597 9.547 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.376 -10.640 9.436 1.00 20.55 H new ATOM 114 N THR A 7 -4.751 -6.392 6.133 1.00 7.41 N ATOM 115 CA THR A 7 -6.066 -5.753 6.116 1.00 7.48 C ATOM 116 C THR A 7 -6.522 -5.314 7.481 1.00 8.75 C ATOM 117 O THR A 7 -5.802 -5.478 8.500 1.00 8.58 O ATOM 118 CB THR A 7 -7.050 -6.628 5.422 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.264 -7.791 6.185 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.527 -7.009 4.033 1.00 9.17 C ATOM 0 H THR A 7 -4.797 -7.406 6.230 1.00 7.41 H new ATOM 0 HA THR A 7 -5.984 -4.828 5.545 1.00 7.48 H new ATOM 0 HB THR A 7 -7.991 -6.089 5.309 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.913 -8.366 5.729 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.254 -7.649 3.533 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.372 -6.106 3.442 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.582 -7.543 4.134 1.00 9.17 H new ATOM 128 N LEU A 8 -7.779 -4.790 7.618 1.00 9.84 N ATOM 129 CA LEU A 8 -8.527 -4.469 8.812 1.00 14.15 C ATOM 130 C LEU A 8 -8.615 -5.642 9.717 1.00 17.37 C ATOM 131 O LEU A 8 -8.347 -5.492 10.910 1.00 17.01 O ATOM 132 CB LEU A 8 -9.972 -3.994 8.399 1.00 16.63 C ATOM 133 CG LEU A 8 -11.036 -3.750 9.496 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.690 -2.630 10.459 1.00 19.31 C ATOM 135 CD2 LEU A 8 -12.383 -3.381 8.806 1.00 18.59 C ATOM 0 H LEU A 8 -8.326 -4.569 6.786 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.013 -3.672 9.349 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.863 -3.066 7.838 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.376 -4.737 7.711 1.00 16.63 H new ATOM 0 HG LEU A 8 -11.093 -4.670 10.078 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -11.487 -2.524 11.195 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.754 -2.863 10.967 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.580 -1.697 9.907 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -13.145 -3.206 9.566 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -12.251 -2.478 8.209 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -12.697 -4.200 8.160 1.00 18.59 H new ATOM 147 N THR A 9 -8.942 -6.876 9.267 1.00 18.33 N ATOM 148 CA THR A 9 -9.123 -8.151 10.074 1.00 19.24 C ATOM 149 C THR A 9 -7.886 -9.018 9.923 1.00 19.48 C ATOM 150 O THR A 9 -7.836 -10.174 10.407 1.00 23.14 O ATOM 151 CB THR A 9 -10.340 -8.988 9.634 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.314 -9.436 8.315 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.584 -8.089 9.881 1.00 19.70 C ATOM 0 H THR A 9 -9.101 -7.041 8.273 1.00 18.33 H new ATOM 0 HA THR A 9 -9.286 -7.841 11.106 1.00 19.24 H new ATOM 0 HB THR A 9 -10.349 -9.911 10.214 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.123 -9.957 8.130 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.486 -8.627 9.588 1.00 19.70 H new ATOM 0 HG22 THR A 9 -11.643 -7.832 10.939 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.497 -7.177 9.290 1.00 19.70 H new ATOM 161 N GLY A 10 -6.734 -8.461 9.435 1.00 19.43 N ATOM 162 CA GLY A 10 -5.397 -9.123 9.660 1.00 18.74 C ATOM 163 C GLY A 10 -4.955 -10.137 8.640 1.00 17.62 C ATOM 164 O GLY A 10 -3.802 -10.575 8.718 1.00 19.74 O ATOM 0 H GLY A 10 -6.696 -7.591 8.904 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -4.638 -8.343 9.713 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -5.421 -9.611 10.634 1.00 18.74 H new ATOM 168 N LYS A 11 -5.744 -10.438 7.597 1.00 13.56 N ATOM 169 CA LYS A 11 -5.322 -11.243 6.449 1.00 11.91 C ATOM 170 C LYS A 11 -4.062 -10.771 5.786 1.00 10.18 C ATOM 171 O LYS A 11 -3.928 -9.560 5.658 1.00 9.10 O ATOM 172 CB LYS A 11 -6.418 -11.251 5.369 1.00 13.43 C ATOM 173 CG LYS A 11 -6.268 -12.121 4.055 1.00 16.69 C ATOM 174 CD LYS A 11 -7.496 -12.020 3.117 1.00 17.92 C ATOM 175 CE LYS A 11 -7.530 -10.750 2.303 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.524 -10.923 1.203 1.00 21.93 N ATOM 0 H LYS A 11 -6.711 -10.121 7.530 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.137 -12.234 6.864 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.342 -11.565 5.855 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.560 -10.218 5.052 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.378 -11.801 3.514 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.115 -13.164 4.332 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.498 -12.875 2.441 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.406 -12.084 3.714 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.804 -9.903 2.932 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.543 -10.536 1.892 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.764 -9.994 0.802 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.118 -11.526 0.460 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -9.384 -11.370 1.580 1.00 21.93 H new ATOM 190 N THR A 12 -3.168 -11.661 5.375 1.00 9.63 N ATOM 191 CA THR A 12 -1.864 -11.179 4.798 1.00 9.85 C ATOM 192 C THR A 12 -1.774 -11.617 3.357 1.00 11.66 C ATOM 193 O THR A 12 -2.020 -12.745 3.020 1.00 12.33 O ATOM 194 CB THR A 12 -0.710 -11.558 5.604 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.889 -11.384 7.001 1.00 10.91 O ATOM 196 CG2 THR A 12 0.551 -10.728 5.133 1.00 9.63 C ATOM 0 H THR A 12 -3.285 -12.674 5.414 1.00 9.63 H new ATOM 0 HA THR A 12 -1.845 -10.089 4.822 1.00 9.85 H new ATOM 0 HB THR A 12 -0.568 -12.627 5.447 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.075 -11.660 7.472 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.416 -11.009 5.734 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.754 -10.939 4.083 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.353 -9.663 5.257 1.00 9.63 H new ATOM 204 N ILE A 13 -1.496 -10.692 2.438 1.00 10.42 N ATOM 205 CA ILE A 13 -1.232 -10.865 1.001 1.00 11.84 C ATOM 206 C ILE A 13 0.213 -10.406 0.675 1.00 10.55 C ATOM 207 O ILE A 13 0.723 -9.458 1.262 1.00 11.92 O ATOM 208 CB ILE A 13 -2.278 -10.271 0.142 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.526 -8.817 0.502 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.581 -11.135 0.326 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.187 -8.033 -0.728 1.00 16.46 C ATOM 0 H ILE A 13 -1.444 -9.708 2.701 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.290 -11.926 0.760 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.962 -10.279 -0.901 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.182 -8.759 1.371 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.586 -8.341 0.780 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.379 -10.727 -0.294 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.380 -12.164 0.028 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.887 -11.113 1.372 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.356 -6.993 -0.448 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.517 -8.073 -1.587 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.138 -8.498 -0.987 1.00 16.46 H new ATOM 223 N THR A 14 0.892 -11.077 -0.285 1.00 9.39 N ATOM 224 CA THR A 14 2.306 -10.838 -0.564 1.00 9.63 C ATOM 225 C THR A 14 2.415 -10.126 -1.878 1.00 11.20 C ATOM 226 O THR A 14 1.733 -10.452 -2.811 1.00 11.63 O ATOM 227 CB THR A 14 3.115 -12.104 -0.654 1.00 10.38 C ATOM 228 OG1 THR A 14 2.921 -12.930 0.466 1.00 16.30 O ATOM 229 CG2 THR A 14 4.597 -11.844 -0.557 1.00 11.66 C ATOM 0 H THR A 14 0.469 -11.791 -0.877 1.00 9.39 H new ATOM 0 HA THR A 14 2.703 -10.250 0.264 1.00 9.63 H new ATOM 0 HB THR A 14 2.799 -12.542 -1.601 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.210 -12.458 1.275 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.137 -12.788 -0.627 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.905 -11.188 -1.371 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.821 -11.368 0.397 1.00 11.66 H new ATOM 237 N LEU A 15 3.357 -9.170 -2.004 1.00 8.29 N ATOM 238 CA LEU A 15 3.529 -8.536 -3.250 1.00 9.03 C ATOM 239 C LEU A 15 5.015 -8.465 -3.554 1.00 8.59 C ATOM 240 O LEU A 15 5.918 -8.143 -2.790 1.00 7.79 O ATOM 241 CB LEU A 15 2.953 -7.046 -3.256 1.00 11.08 C ATOM 242 CG LEU A 15 1.523 -6.729 -2.825 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.315 -5.202 -2.984 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.507 -7.473 -3.648 1.00 15.27 C ATOM 0 H LEU A 15 3.977 -8.852 -1.259 1.00 8.29 H new ATOM 0 HA LEU A 15 2.986 -9.116 -3.996 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.611 -6.452 -2.622 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.065 -6.670 -4.273 1.00 11.08 H new ATOM 0 HG LEU A 15 1.382 -7.043 -1.791 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.300 -4.940 -2.684 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.029 -4.670 -2.355 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.469 -4.920 -4.026 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.496 -7.217 -3.306 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.615 -7.196 -4.697 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.665 -8.546 -3.538 1.00 15.27 H new ATOM 256 N GLU A 16 5.329 -8.793 -4.782 1.00 11.04 N ATOM 257 CA GLU A 16 6.605 -8.484 -5.286 1.00 11.50 C ATOM 258 C GLU A 16 6.682 -7.116 -5.970 1.00 10.13 C ATOM 259 O GLU A 16 5.877 -6.718 -6.780 1.00 9.83 O ATOM 260 CB GLU A 16 7.093 -9.545 -6.339 1.00 17.22 C ATOM 261 CG GLU A 16 8.392 -9.316 -7.116 1.00 23.33 C ATOM 262 CD GLU A 16 8.735 -10.522 -7.813 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.042 -11.581 -7.203 1.00 28.86 O ATOM 264 OE2 GLU A 16 8.635 -10.548 -9.048 1.00 28.90 O ATOM 0 H GLU A 16 4.708 -9.272 -5.434 1.00 11.04 H new ATOM 0 HA GLU A 16 7.243 -8.483 -4.402 1.00 11.50 H new ATOM 0 HB2 GLU A 16 7.192 -10.497 -5.817 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.295 -9.665 -7.072 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.269 -8.495 -7.822 1.00 23.33 H new ATOM 0 HG3 GLU A 16 9.194 -9.033 -6.434 1.00 23.33 H new ATOM 271 N VAL A 17 7.734 -6.352 -5.605 1.00 8.99 N ATOM 272 CA VAL A 17 7.872 -4.961 -5.919 1.00 8.85 C ATOM 273 C VAL A 17 9.341 -4.661 -5.936 1.00 8.04 C ATOM 274 O VAL A 17 10.142 -5.341 -5.301 1.00 8.99 O ATOM 275 CB VAL A 17 7.157 -3.993 -5.043 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.681 -3.855 -5.216 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.455 -4.254 -3.546 1.00 10.54 C ATOM 0 H VAL A 17 8.520 -6.721 -5.069 1.00 8.99 H new ATOM 0 HA VAL A 17 7.384 -4.815 -6.883 1.00 8.85 H new ATOM 0 HB VAL A 17 7.570 -3.044 -5.386 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.300 -3.116 -4.511 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.463 -3.532 -6.234 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.201 -4.816 -5.029 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.917 -3.529 -2.936 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.133 -5.261 -3.281 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.526 -4.156 -3.366 1.00 10.54 H new ATOM 287 N GLU A 18 9.703 -3.599 -6.577 1.00 7.29 N ATOM 288 CA GLU A 18 10.987 -2.987 -6.475 1.00 7.08 C ATOM 289 C GLU A 18 10.773 -1.768 -5.584 1.00 6.45 C ATOM 290 O GLU A 18 9.651 -1.315 -5.565 1.00 5.28 O ATOM 291 CB GLU A 18 11.705 -2.563 -7.843 1.00 10.28 C ATOM 292 CG GLU A 18 11.941 -3.762 -8.754 1.00 12.65 C ATOM 293 CD GLU A 18 13.049 -4.703 -8.309 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.787 -5.631 -7.504 1.00 14.33 O ATOM 295 OE2 GLU A 18 14.186 -4.640 -8.797 1.00 18.17 O ATOM 0 H GLU A 18 9.079 -3.110 -7.219 1.00 7.29 H new ATOM 0 HA GLU A 18 11.679 -3.729 -6.076 1.00 7.08 H new ATOM 0 HB2 GLU A 18 11.091 -1.827 -8.363 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.658 -2.083 -7.620 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.013 -4.329 -8.830 1.00 12.65 H new ATOM 0 HG3 GLU A 18 12.175 -3.398 -9.754 1.00 12.65 H new ATOM 302 N PRO A 19 11.759 -1.221 -4.847 1.00 7.24 N ATOM 303 CA PRO A 19 11.548 -0.011 -3.986 1.00 7.07 C ATOM 304 C PRO A 19 11.419 1.268 -4.783 1.00 6.65 C ATOM 305 O PRO A 19 11.046 2.325 -4.209 1.00 6.37 O ATOM 306 CB PRO A 19 12.792 0.082 -3.121 1.00 7.61 C ATOM 307 CG PRO A 19 13.832 -0.578 -4.039 1.00 8.16 C ATOM 308 CD PRO A 19 13.094 -1.730 -4.713 1.00 7.49 C ATOM 0 HA PRO A 19 10.621 -0.117 -3.423 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.050 1.113 -2.878 1.00 7.61 H new ATOM 0 HB3 PRO A 19 12.679 -0.449 -2.176 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.214 0.130 -4.775 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.688 -0.938 -3.469 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.531 -1.978 -5.680 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.122 -2.636 -4.108 1.00 7.49 H new ATOM 316 N SER A 20 11.645 1.221 -6.086 1.00 6.80 N ATOM 317 CA SER A 20 11.483 2.227 -7.101 1.00 6.28 C ATOM 318 C SER A 20 10.055 2.339 -7.624 1.00 8.45 C ATOM 319 O SER A 20 9.717 3.318 -8.271 1.00 7.26 O ATOM 320 CB SER A 20 12.423 1.960 -8.325 1.00 8.57 C ATOM 321 OG SER A 20 12.353 0.618 -8.843 1.00 11.13 O ATOM 0 H SER A 20 11.992 0.357 -6.501 1.00 6.80 H new ATOM 0 HA SER A 20 11.746 3.163 -6.609 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.170 2.659 -9.122 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.451 2.171 -8.032 1.00 8.57 H new ATOM 0 HG SER A 20 12.964 0.529 -9.604 1.00 11.13 H new ATOM 327 N ASP A 21 9.165 1.383 -7.415 1.00 7.50 N ATOM 328 CA ASP A 21 7.782 1.408 -7.672 1.00 7.70 C ATOM 329 C ASP A 21 6.981 2.414 -6.869 1.00 7.08 C ATOM 330 O ASP A 21 7.330 2.702 -5.715 1.00 8.11 O ATOM 331 CB ASP A 21 7.186 0.015 -7.433 1.00 11.00 C ATOM 332 CG ASP A 21 7.753 -0.975 -8.455 1.00 15.32 C ATOM 333 OD1 ASP A 21 8.285 -0.509 -9.491 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.596 -2.191 -8.325 1.00 18.03 O ATOM 0 H ASP A 21 9.451 0.487 -7.019 1.00 7.50 H new ATOM 0 HA ASP A 21 7.703 1.722 -8.713 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.416 -0.320 -6.422 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.100 0.055 -7.516 1.00 11.00 H new ATOM 339 N THR A 22 5.952 3.102 -7.489 1.00 5.37 N ATOM 340 CA THR A 22 5.170 4.073 -6.759 1.00 6.01 C ATOM 341 C THR A 22 4.210 3.502 -5.802 1.00 8.01 C ATOM 342 O THR A 22 3.729 2.382 -5.986 1.00 8.11 O ATOM 343 CB THR A 22 4.441 5.073 -7.640 1.00 8.92 C ATOM 344 OG1 THR A 22 3.664 4.389 -8.635 1.00 10.22 O ATOM 345 CG2 THR A 22 5.431 5.950 -8.471 1.00 9.65 C ATOM 0 H THR A 22 5.682 2.979 -8.465 1.00 5.37 H new ATOM 0 HA THR A 22 5.940 4.597 -6.193 1.00 6.01 H new ATOM 0 HB THR A 22 3.838 5.676 -6.961 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.198 5.045 -9.194 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.867 6.651 -9.087 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.082 6.504 -7.795 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.035 5.308 -9.112 1.00 9.65 H new ATOM 353 N ILE A 23 3.874 4.333 -4.779 1.00 8.32 N ATOM 354 CA ILE A 23 2.717 4.009 -3.933 1.00 9.92 C ATOM 355 C ILE A 23 1.429 3.762 -4.792 1.00 10.01 C ATOM 356 O ILE A 23 0.657 2.828 -4.469 1.00 8.71 O ATOM 357 CB ILE A 23 2.489 5.075 -2.913 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.757 5.361 -2.070 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.342 4.680 -1.943 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.229 4.136 -1.250 1.00 12.30 C ATOM 0 H ILE A 23 4.368 5.191 -4.535 1.00 8.32 H new ATOM 0 HA ILE A 23 2.940 3.081 -3.407 1.00 9.92 H new ATOM 0 HB ILE A 23 2.222 5.973 -3.469 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.562 5.680 -2.732 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.556 6.190 -1.391 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.196 5.473 -1.210 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.421 4.534 -2.508 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.602 3.755 -1.429 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.121 4.400 -0.681 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.439 3.831 -0.564 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.461 3.313 -1.926 1.00 12.30 H new ATOM 372 N GLU A 24 1.284 4.569 -5.867 1.00 9.54 N ATOM 373 CA GLU A 24 0.212 4.434 -6.880 1.00 11.81 C ATOM 374 C GLU A 24 0.227 3.101 -7.585 1.00 11.14 C ATOM 375 O GLU A 24 -0.761 2.373 -7.795 1.00 10.62 O ATOM 376 CB GLU A 24 0.220 5.593 -7.901 1.00 19.24 C ATOM 377 CG GLU A 24 -0.917 5.617 -8.930 1.00 27.76 C ATOM 378 CD GLU A 24 -0.882 6.913 -9.780 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.200 7.045 -10.493 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.754 7.825 -9.771 1.00 34.80 O ATOM 0 H GLU A 24 1.918 5.345 -6.058 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.721 4.488 -6.319 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.198 6.532 -7.349 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.166 5.563 -8.441 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.837 4.749 -9.584 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.876 5.542 -8.417 1.00 27.76 H new ATOM 387 N ASN A 25 1.390 2.595 -7.941 1.00 9.43 N ATOM 388 CA ASN A 25 1.586 1.290 -8.551 1.00 10.96 C ATOM 389 C ASN A 25 1.351 0.201 -7.502 1.00 9.68 C ATOM 390 O ASN A 25 0.827 -0.838 -7.886 1.00 9.33 O ATOM 391 CB ASN A 25 2.993 1.246 -9.193 1.00 16.78 C ATOM 392 CG ASN A 25 3.207 -0.035 -9.897 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.363 -0.518 -10.667 1.00 25.66 O ATOM 394 ND2 ASN A 25 4.345 -0.685 -9.663 1.00 24.70 N ATOM 0 H ASN A 25 2.265 3.102 -7.808 1.00 9.43 H new ATOM 0 HA ASN A 25 0.867 1.108 -9.350 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.105 2.074 -9.893 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.754 1.375 -8.423 1.00 16.78 H new ATOM 0 HD21 ASN A 25 4.523 -1.581 -10.117 1.00 24.70 H new ATOM 0 HD22 ASN A 25 5.039 -0.287 -9.030 1.00 24.70 H new ATOM 401 N VAL A 26 1.708 0.406 -6.170 1.00 6.52 N ATOM 402 CA VAL A 26 1.396 -0.589 -5.098 1.00 5.53 C ATOM 403 C VAL A 26 -0.095 -0.734 -4.760 1.00 4.42 C ATOM 404 O VAL A 26 -0.686 -1.801 -4.727 1.00 3.40 O ATOM 405 CB VAL A 26 2.251 -0.170 -3.890 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.864 -0.982 -2.628 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.704 -0.540 -4.215 1.00 8.12 C ATOM 0 H VAL A 26 2.199 1.236 -5.838 1.00 6.52 H new ATOM 0 HA VAL A 26 1.642 -1.594 -5.442 1.00 5.53 H new ATOM 0 HB VAL A 26 2.106 0.894 -3.702 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.483 -0.666 -1.788 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.815 -0.807 -2.391 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.022 -2.044 -2.816 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.346 -0.259 -3.381 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.777 -1.615 -4.383 1.00 8.12 H new ATOM 0 HG23 VAL A 26 4.022 -0.010 -5.113 1.00 8.12 H new ATOM 417 N LYS A 27 -0.848 0.433 -4.650 1.00 2.64 N ATOM 418 CA LYS A 27 -2.271 0.486 -4.709 1.00 4.14 C ATOM 419 C LYS A 27 -2.907 -0.229 -5.901 1.00 5.58 C ATOM 420 O LYS A 27 -3.841 -0.987 -5.710 1.00 4.11 O ATOM 421 CB LYS A 27 -2.913 1.913 -4.667 1.00 3.97 C ATOM 422 CG LYS A 27 -2.481 2.649 -3.409 1.00 7.45 C ATOM 423 CD LYS A 27 -3.130 4.006 -3.248 1.00 9.02 C ATOM 424 CE LYS A 27 -2.898 4.531 -1.822 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.614 5.829 -1.658 1.00 15.47 N ATOM 0 H LYS A 27 -0.420 1.349 -4.517 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.495 -0.043 -3.783 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.614 2.480 -5.549 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.000 1.831 -4.694 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.719 2.036 -2.540 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.398 2.773 -3.424 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.716 4.705 -3.974 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.199 3.934 -3.449 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.259 3.807 -1.091 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.832 4.664 -1.639 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.185 6.366 -0.877 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.541 6.379 -2.537 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.616 5.648 -1.445 1.00 15.47 H new ATOM 439 N ALA A 28 -2.475 -0.033 -7.173 1.00 6.61 N ATOM 440 CA ALA A 28 -2.945 -0.833 -8.324 1.00 7.74 C ATOM 441 C ALA A 28 -2.611 -2.349 -8.184 1.00 9.17 C ATOM 442 O ALA A 28 -3.498 -3.125 -8.519 1.00 11.45 O ATOM 443 CB ALA A 28 -2.234 -0.380 -9.590 1.00 7.68 C ATOM 0 H ALA A 28 -1.793 0.683 -7.425 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.025 -0.689 -8.363 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.584 -0.972 -10.435 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.449 0.673 -9.771 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.159 -0.516 -9.472 1.00 7.68 H new ATOM 449 N LYS A 29 -1.470 -2.735 -7.644 1.00 8.96 N ATOM 450 CA LYS A 29 -1.144 -4.103 -7.342 1.00 7.90 C ATOM 451 C LYS A 29 -2.089 -4.744 -6.295 1.00 6.92 C ATOM 452 O LYS A 29 -2.522 -5.887 -6.347 1.00 6.87 O ATOM 453 CB LYS A 29 0.334 -4.240 -6.907 1.00 10.28 C ATOM 454 CG LYS A 29 1.029 -5.580 -7.391 1.00 14.94 C ATOM 455 CD LYS A 29 2.554 -5.595 -7.082 1.00 19.69 C ATOM 456 CE LYS A 29 3.503 -4.782 -7.939 1.00 22.63 C ATOM 457 NZ LYS A 29 3.727 -5.199 -9.307 1.00 24.98 N ATOM 0 H LYS A 29 -0.727 -2.080 -7.399 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.291 -4.659 -8.268 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.896 -3.391 -7.295 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.388 -4.187 -5.820 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.553 -6.431 -6.904 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.876 -5.700 -8.464 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.680 -5.263 -6.052 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.885 -6.633 -7.125 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.134 -3.757 -7.961 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.470 -4.762 -7.436 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.397 -4.547 -9.763 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.120 -6.162 -9.317 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.825 -5.188 -9.825 1.00 24.98 H new ATOM 471 N ILE A 30 -2.518 -3.932 -5.316 1.00 4.57 N ATOM 472 CA ILE A 30 -3.408 -4.271 -4.236 1.00 5.58 C ATOM 473 C ILE A 30 -4.845 -4.358 -4.878 1.00 7.26 C ATOM 474 O ILE A 30 -5.728 -5.081 -4.433 1.00 9.46 O ATOM 475 CB ILE A 30 -3.290 -3.288 -3.091 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.011 -3.401 -2.257 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.396 -3.517 -2.055 1.00 2.78 C ATOM 478 CD1 ILE A 30 -1.752 -2.111 -1.437 1.00 2.00 C ATOM 0 H ILE A 30 -2.221 -2.957 -5.271 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.160 -5.227 -3.774 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.329 -2.326 -3.603 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.090 -4.253 -1.582 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.163 -3.592 -2.914 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.288 -2.798 -1.243 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.370 -3.388 -2.528 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.318 -4.529 -1.657 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -0.836 -2.226 -0.857 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -1.648 -1.264 -2.115 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.589 -1.935 -0.762 1.00 2.00 H new ATOM 490 N GLN A 31 -5.109 -3.547 -5.968 1.00 7.06 N ATOM 491 CA GLN A 31 -6.361 -3.687 -6.669 1.00 8.67 C ATOM 492 C GLN A 31 -6.546 -5.055 -7.323 1.00 10.90 C ATOM 493 O GLN A 31 -7.597 -5.653 -7.338 1.00 9.63 O ATOM 494 CB GLN A 31 -6.608 -2.526 -7.653 1.00 9.12 C ATOM 495 CG GLN A 31 -7.990 -2.547 -8.245 1.00 10.76 C ATOM 496 CD GLN A 31 -8.111 -1.499 -9.340 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.092 -1.128 -9.967 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.316 -1.024 -9.628 1.00 14.76 N ATOM 0 H GLN A 31 -4.478 -2.834 -6.335 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.135 -3.627 -5.904 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.454 -1.579 -7.136 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.873 -2.574 -8.456 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.203 -3.535 -8.653 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.729 -2.357 -7.467 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.129 -1.343 -9.102 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.429 -0.340 -10.376 1.00 14.76 H new ATOM 507 N ASP A 32 -5.437 -5.530 -7.909 1.00 10.93 N ATOM 508 CA ASP A 32 -5.369 -6.863 -8.551 1.00 14.01 C ATOM 509 C ASP A 32 -5.585 -8.016 -7.592 1.00 14.04 C ATOM 510 O ASP A 32 -6.242 -8.981 -7.919 1.00 13.39 O ATOM 511 CB ASP A 32 -4.075 -6.856 -9.397 1.00 18.01 C ATOM 512 CG ASP A 32 -4.121 -7.961 -10.455 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.885 -7.955 -11.473 1.00 25.17 O ATOM 514 OD2 ASP A 32 -3.196 -8.812 -10.350 1.00 26.29 O ATOM 0 H ASP A 32 -4.562 -5.008 -7.954 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.207 -7.049 -9.222 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.955 -5.886 -9.880 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.210 -6.999 -8.750 1.00 18.01 H new ATOM 519 N LYS A 33 -5.099 -7.842 -6.327 1.00 14.22 N ATOM 520 CA LYS A 33 -5.356 -8.762 -5.265 1.00 14.00 C ATOM 521 C LYS A 33 -6.791 -8.575 -4.616 1.00 12.37 C ATOM 522 O LYS A 33 -7.485 -9.592 -4.503 1.00 12.17 O ATOM 523 CB LYS A 33 -4.323 -8.466 -4.188 1.00 18.62 C ATOM 524 CG LYS A 33 -2.889 -8.847 -4.573 1.00 24.00 C ATOM 525 CD LYS A 33 -2.584 -10.297 -4.409 1.00 27.61 C ATOM 526 CE LYS A 33 -1.092 -10.572 -4.721 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.757 -11.985 -4.584 1.00 30.06 N ATOM 0 H LYS A 33 -4.521 -7.047 -6.053 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.307 -9.776 -5.661 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.354 -7.402 -3.953 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.598 -9.001 -3.279 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.715 -8.564 -5.611 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.194 -8.269 -3.964 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.813 -10.611 -3.391 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.216 -10.886 -5.074 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.867 -10.243 -5.735 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.467 -9.984 -4.049 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.250 -12.126 -4.802 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.947 -12.294 -3.609 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.335 -12.544 -5.243 1.00 30.06 H new ATOM 541 N GLU A 34 -7.295 -7.331 -4.368 1.00 10.11 N ATOM 542 CA GLU A 34 -8.336 -7.204 -3.368 1.00 10.07 C ATOM 543 C GLU A 34 -9.669 -6.712 -3.980 1.00 9.32 C ATOM 544 O GLU A 34 -10.766 -6.924 -3.466 1.00 11.61 O ATOM 545 CB GLU A 34 -7.882 -6.348 -2.120 1.00 14.77 C ATOM 546 CG GLU A 34 -6.918 -7.191 -1.276 1.00 18.75 C ATOM 547 CD GLU A 34 -7.513 -8.497 -0.715 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.361 -8.321 0.223 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.239 -9.602 -1.180 1.00 25.19 O ATOM 0 H GLU A 34 -7.005 -6.467 -4.826 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.523 -8.207 -2.984 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.395 -5.430 -2.448 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.748 -6.055 -1.526 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.048 -7.438 -1.884 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.563 -6.584 -0.443 1.00 18.75 H new ATOM 556 N GLY A 35 -9.551 -5.970 -5.113 1.00 7.22 N ATOM 557 CA GLY A 35 -10.721 -5.522 -5.867 1.00 6.29 C ATOM 558 C GLY A 35 -11.211 -4.219 -5.222 1.00 6.93 C ATOM 559 O GLY A 35 -12.209 -3.666 -5.655 1.00 7.41 O ATOM 0 H GLY A 35 -8.658 -5.678 -5.511 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.464 -5.359 -6.914 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.505 -6.279 -5.845 1.00 6.29 H new ATOM 563 N ILE A 36 -10.429 -3.739 -4.177 1.00 5.86 N ATOM 564 CA ILE A 36 -10.571 -2.411 -3.644 1.00 6.07 C ATOM 565 C ILE A 36 -9.961 -1.378 -4.587 1.00 6.36 C ATOM 566 O ILE A 36 -8.801 -1.634 -4.949 1.00 6.18 O ATOM 567 CB ILE A 36 -10.035 -2.254 -2.188 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.528 -3.395 -1.244 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.407 -0.827 -1.763 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.616 -3.496 -0.016 1.00 9.49 C ATOM 0 H ILE A 36 -9.705 -4.292 -3.719 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.643 -2.225 -3.574 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.953 -2.372 -2.126 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.553 -3.200 -0.930 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.534 -4.344 -1.781 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.059 -0.648 -0.746 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.937 -0.112 -2.438 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.490 -0.706 -1.803 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.970 -4.295 0.635 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.597 -3.713 -0.336 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.632 -2.551 0.528 1.00 9.49 H new ATOM 582 N PRO A 37 -10.574 -0.305 -5.076 1.00 8.65 N ATOM 583 CA PRO A 37 -9.951 0.491 -6.152 1.00 9.18 C ATOM 584 C PRO A 37 -9.050 1.516 -5.613 1.00 9.85 C ATOM 585 O PRO A 37 -9.346 1.999 -4.506 1.00 8.51 O ATOM 586 CB PRO A 37 -11.132 1.014 -6.981 1.00 11.42 C ATOM 587 CG PRO A 37 -12.261 1.019 -6.032 1.00 9.27 C ATOM 588 CD PRO A 37 -12.005 -0.177 -5.072 1.00 8.33 C ATOM 0 HA PRO A 37 -9.285 -0.086 -6.793 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -10.934 2.012 -7.371 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.334 0.371 -7.838 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -12.307 1.959 -5.483 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.212 0.907 -6.553 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.388 0.022 -4.071 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.491 -1.087 -5.425 1.00 8.33 H new ATOM 596 N PRO A 38 -7.957 2.038 -6.214 1.00 8.71 N ATOM 597 CA PRO A 38 -6.980 2.889 -5.577 1.00 9.08 C ATOM 598 C PRO A 38 -7.446 4.138 -4.782 1.00 9.28 C ATOM 599 O PRO A 38 -6.875 4.459 -3.721 1.00 6.50 O ATOM 600 CB PRO A 38 -6.099 3.201 -6.791 1.00 10.31 C ATOM 601 CG PRO A 38 -6.050 1.811 -7.485 1.00 10.81 C ATOM 602 CD PRO A 38 -7.519 1.455 -7.490 1.00 12.00 C ATOM 0 HA PRO A 38 -6.507 2.396 -4.728 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.536 3.967 -7.432 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.109 3.553 -6.503 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.633 1.864 -8.491 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.451 1.091 -6.929 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.044 1.887 -8.342 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.682 0.378 -7.528 1.00 12.00 H new ATOM 610 N ASP A 39 -8.503 4.785 -5.278 1.00 11.20 N ATOM 611 CA ASP A 39 -9.011 5.993 -4.642 1.00 14.96 C ATOM 612 C ASP A 39 -9.695 5.663 -3.311 1.00 13.99 C ATOM 613 O ASP A 39 -9.789 6.514 -2.448 1.00 13.75 O ATOM 614 CB ASP A 39 -9.983 6.799 -5.536 1.00 24.16 C ATOM 615 CG ASP A 39 -9.210 7.473 -6.652 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.516 8.486 -6.452 1.00 34.22 O ATOM 617 OD2 ASP A 39 -9.406 6.997 -7.809 1.00 35.55 O ATOM 0 H ASP A 39 -9.016 4.493 -6.110 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.139 6.622 -4.467 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.742 6.137 -5.954 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.506 7.547 -4.940 1.00 24.16 H new ATOM 622 N GLN A 40 -10.013 4.311 -3.101 1.00 11.60 N ATOM 623 CA GLN A 40 -10.616 3.761 -1.842 1.00 10.76 C ATOM 624 C GLN A 40 -9.597 2.964 -1.059 1.00 8.01 C ATOM 625 O GLN A 40 -9.934 2.361 -0.011 1.00 8.96 O ATOM 626 CB GLN A 40 -11.820 2.785 -2.072 1.00 11.14 C ATOM 627 CG GLN A 40 -13.011 3.521 -2.812 1.00 14.85 C ATOM 628 CD GLN A 40 -14.238 2.633 -2.613 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.823 2.133 -3.588 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.654 2.533 -1.336 1.00 18.16 N ATOM 0 H GLN A 40 -9.850 3.596 -3.810 1.00 11.60 H new ATOM 0 HA GLN A 40 -10.964 4.648 -1.312 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.492 1.930 -2.663 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.166 2.396 -1.114 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.176 4.515 -2.395 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.791 3.652 -3.872 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.117 2.973 -0.589 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.506 2.017 -1.116 1.00 18.16 H new ATOM 639 N GLN A 41 -8.339 3.085 -1.385 1.00 6.52 N ATOM 640 CA GLN A 41 -7.275 2.422 -0.652 1.00 3.87 C ATOM 641 C GLN A 41 -6.444 3.499 0.031 1.00 4.79 C ATOM 642 O GLN A 41 -5.871 4.389 -0.579 1.00 6.34 O ATOM 643 CB GLN A 41 -6.267 1.663 -1.475 1.00 4.20 C ATOM 644 CG GLN A 41 -6.854 0.350 -2.123 1.00 3.20 C ATOM 645 CD GLN A 41 -5.813 -0.248 -3.060 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.645 -0.201 -2.746 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.254 -0.861 -4.193 1.00 7.13 N ATOM 0 H GLN A 41 -8.013 3.648 -2.170 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.793 1.713 -0.006 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.890 2.313 -2.265 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.417 1.401 -0.845 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.118 -0.368 -1.346 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.768 0.577 -2.671 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.250 -0.872 -4.412 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.588 -1.309 -4.823 1.00 7.13 H new ATOM 656 N ARG A 42 -6.197 3.347 1.380 1.00 5.73 N ATOM 657 CA ARG A 42 -5.321 4.169 2.225 1.00 6.97 C ATOM 658 C ARG A 42 -4.297 3.200 2.782 1.00 7.15 C ATOM 659 O ARG A 42 -4.622 2.098 3.275 1.00 7.33 O ATOM 660 CB ARG A 42 -6.153 4.921 3.262 1.00 13.23 C ATOM 661 CG ARG A 42 -5.448 5.464 4.489 1.00 21.27 C ATOM 662 CD ARG A 42 -6.349 6.254 5.399 1.00 26.14 C ATOM 663 NE ARG A 42 -6.768 7.525 4.695 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.026 7.879 4.549 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.087 7.167 4.940 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.329 9.068 3.993 1.00 36.39 N ATOM 0 H ARG A 42 -6.640 2.599 1.913 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.797 4.964 1.695 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.636 5.758 2.758 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -6.945 4.253 3.601 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.018 4.633 5.048 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -4.620 6.097 4.172 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.226 5.664 5.665 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.831 6.492 6.328 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.043 8.135 4.317 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.955 6.264 5.396 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.029 7.526 4.783 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.583 9.692 3.686 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.304 9.344 3.879 1.00 36.39 H new ATOM 680 N LEU A 43 -3.020 3.425 2.543 1.00 4.65 N ATOM 681 CA LEU A 43 -1.953 2.531 2.894 1.00 3.51 C ATOM 682 C LEU A 43 -1.192 3.156 4.059 1.00 5.56 C ATOM 683 O LEU A 43 -0.639 4.236 3.923 1.00 4.19 O ATOM 684 CB LEU A 43 -1.028 2.348 1.683 1.00 3.74 C ATOM 685 CG LEU A 43 -1.698 1.809 0.458 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.617 1.483 -0.609 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.421 0.417 0.732 1.00 6.41 C ATOM 0 H LEU A 43 -2.692 4.273 2.080 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.337 1.553 3.183 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.576 3.310 1.440 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.216 1.676 1.962 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.417 2.564 0.141 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.097 1.090 -1.505 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.068 2.391 -0.860 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.074 0.740 -0.212 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.893 0.065 -0.185 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.686 -0.315 1.066 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.180 0.547 1.504 1.00 6.41 H new ATOM 699 N ILE A 44 -1.253 2.506 5.239 1.00 4.58 N ATOM 700 CA ILE A 44 -0.633 3.065 6.422 1.00 5.55 C ATOM 701 C ILE A 44 0.706 2.385 6.744 1.00 5.46 C ATOM 702 O ILE A 44 0.831 1.163 6.689 1.00 6.04 O ATOM 703 CB ILE A 44 -1.462 2.997 7.702 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.890 3.533 7.438 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.807 3.676 8.899 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.006 5.008 7.172 1.00 13.90 C ATOM 0 H ILE A 44 -1.720 1.610 5.381 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.514 4.112 6.145 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.525 1.946 7.983 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.305 2.997 6.584 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.512 3.290 8.300 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.457 3.585 9.769 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.150 3.199 9.109 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.645 4.731 8.676 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.051 5.266 7.002 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.631 5.563 8.032 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.420 5.266 6.290 1.00 13.90 H new ATOM 718 N PHE A 45 1.794 3.107 6.966 1.00 6.75 N ATOM 719 CA PHE A 45 3.065 2.557 7.378 1.00 4.70 C ATOM 720 C PHE A 45 3.679 3.546 8.332 1.00 6.34 C ATOM 721 O PHE A 45 3.720 4.732 7.942 1.00 5.45 O ATOM 722 CB PHE A 45 3.980 2.467 6.185 1.00 5.51 C ATOM 723 CG PHE A 45 5.282 1.702 6.476 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.211 0.335 6.565 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.498 2.397 6.756 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.303 -0.421 6.793 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.630 1.609 7.045 1.00 6.64 C ATOM 728 CZ PHE A 45 7.532 0.222 7.061 1.00 6.84 C ATOM 0 H PHE A 45 1.811 4.121 6.860 1.00 6.75 H new ATOM 0 HA PHE A 45 2.928 1.572 7.824 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.453 1.976 5.367 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.226 3.474 5.847 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.253 -0.149 6.449 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.548 3.476 6.747 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.240 -1.499 6.771 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.577 2.084 7.255 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.407 -0.372 7.281 1.00 6.84 H new ATOM 738 N ALA A 46 4.110 3.075 9.488 1.00 6.53 N ATOM 739 CA ALA A 46 4.829 3.889 10.461 1.00 7.15 C ATOM 740 C ALA A 46 4.029 5.060 11.026 1.00 9.00 C ATOM 741 O ALA A 46 4.551 6.164 11.260 1.00 11.15 O ATOM 742 CB ALA A 46 6.226 4.306 9.996 1.00 8.99 C ATOM 0 H ALA A 46 3.971 2.109 9.784 1.00 6.53 H new ATOM 0 HA ALA A 46 4.975 3.214 11.304 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.702 4.909 10.769 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.827 3.417 9.808 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.145 4.890 9.079 1.00 8.99 H new ATOM 748 N GLY A 47 2.756 4.839 11.275 1.00 9.35 N ATOM 749 CA GLY A 47 1.822 5.776 11.819 1.00 11.68 C ATOM 750 C GLY A 47 1.282 6.770 10.830 1.00 11.14 C ATOM 751 O GLY A 47 0.499 7.665 11.114 1.00 13.93 O ATOM 0 H GLY A 47 2.326 3.934 11.086 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.987 5.226 12.253 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.304 6.318 12.632 1.00 11.68 H new ATOM 755 N LYS A 48 1.649 6.618 9.523 1.00 10.47 N ATOM 756 CA LYS A 48 1.487 7.589 8.494 1.00 8.82 C ATOM 757 C LYS A 48 0.826 7.029 7.198 1.00 7.68 C ATOM 758 O LYS A 48 1.042 5.881 6.868 1.00 6.47 O ATOM 759 CB LYS A 48 2.791 8.212 8.085 1.00 9.74 C ATOM 760 CG LYS A 48 3.637 8.794 9.209 1.00 14.14 C ATOM 761 CD LYS A 48 3.254 10.236 9.598 1.00 16.32 C ATOM 762 CE LYS A 48 3.908 10.702 10.861 1.00 20.04 C ATOM 763 NZ LYS A 48 5.349 10.580 10.814 1.00 23.92 N ATOM 0 H LYS A 48 2.083 5.760 9.183 1.00 10.47 H new ATOM 0 HA LYS A 48 0.827 8.330 8.945 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.383 7.459 7.565 1.00 9.74 H new ATOM 0 HB3 LYS A 48 2.582 9.005 7.367 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.546 8.155 10.087 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.685 8.775 8.909 1.00 14.14 H new ATOM 0 HD2 LYS A 48 3.528 10.909 8.786 1.00 16.32 H new ATOM 0 HD3 LYS A 48 2.172 10.299 9.713 1.00 16.32 H new ATOM 0 HE2 LYS A 48 3.640 11.743 11.043 1.00 20.04 H new ATOM 0 HE3 LYS A 48 3.524 10.123 11.701 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 5.766 11.067 11.633 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 5.613 9.574 10.838 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 5.705 11.011 9.937 1.00 23.92 H new ATOM 777 N GLN A 49 0.122 7.882 6.481 1.00 8.89 N ATOM 778 CA GLN A 49 -0.397 7.505 5.198 1.00 7.18 C ATOM 779 C GLN A 49 0.520 7.813 4.045 1.00 8.23 C ATOM 780 O GLN A 49 0.797 8.979 3.761 1.00 9.70 O ATOM 781 CB GLN A 49 -1.697 8.365 5.023 1.00 11.67 C ATOM 782 CG GLN A 49 -2.354 8.302 3.670 1.00 15.82 C ATOM 783 CD GLN A 49 -3.585 9.139 3.655 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.598 8.439 3.492 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.493 10.476 3.755 1.00 20.67 N ATOM 0 H GLN A 49 -0.099 8.835 6.770 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.548 6.426 5.180 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.422 8.047 5.772 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.452 9.405 5.238 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.660 8.650 2.905 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.605 7.269 3.428 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.583 10.916 3.889 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.334 11.051 3.697 1.00 20.67 H new ATOM 794 N LEU A 50 0.973 6.760 3.339 1.00 6.51 N ATOM 795 CA LEU A 50 1.810 6.860 2.197 1.00 7.41 C ATOM 796 C LEU A 50 1.108 7.644 1.046 1.00 8.27 C ATOM 797 O LEU A 50 -0.113 7.526 0.821 1.00 8.34 O ATOM 798 CB LEU A 50 2.267 5.431 1.739 1.00 7.13 C ATOM 799 CG LEU A 50 2.876 4.578 2.850 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.823 3.084 2.486 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.248 5.065 3.203 1.00 9.11 C ATOM 0 H LEU A 50 0.741 5.797 3.581 1.00 6.51 H new ATOM 0 HA LEU A 50 2.700 7.429 2.465 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.409 4.904 1.322 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.997 5.536 0.936 1.00 7.13 H new ATOM 0 HG LEU A 50 2.277 4.687 3.754 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.262 2.497 3.293 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.786 2.782 2.341 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.383 2.913 1.567 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.662 4.443 3.996 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.891 5.009 2.325 1.00 9.11 H new ATOM 0 HD23 LEU A 50 4.190 6.098 3.545 1.00 9.11 H new ATOM 813 N GLU A 51 1.850 8.421 0.251 1.00 9.43 N ATOM 814 CA GLU A 51 1.307 9.323 -0.705 1.00 11.90 C ATOM 815 C GLU A 51 1.538 8.814 -2.160 1.00 11.49 C ATOM 816 O GLU A 51 2.659 8.674 -2.605 1.00 9.88 O ATOM 817 CB GLU A 51 1.822 10.760 -0.603 1.00 16.56 C ATOM 818 CG GLU A 51 0.876 11.738 -1.302 1.00 26.06 C ATOM 819 CD GLU A 51 1.479 13.111 -1.150 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.683 13.397 -1.340 1.00 33.44 O ATOM 821 OE2 GLU A 51 0.611 13.988 -0.836 1.00 32.13 O ATOM 0 H GLU A 51 2.870 8.422 0.274 1.00 9.43 H new ATOM 0 HA GLU A 51 0.244 9.349 -0.466 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.927 11.038 0.446 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.814 10.826 -1.051 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.762 11.480 -2.355 1.00 26.06 H new ATOM 0 HG3 GLU A 51 -0.118 11.701 -0.856 1.00 26.06 H new ATOM 828 N ASP A 52 0.448 8.481 -2.892 1.00 12.71 N ATOM 829 CA ASP A 52 0.251 7.977 -4.252 1.00 16.56 C ATOM 830 C ASP A 52 1.405 8.288 -5.255 1.00 15.83 C ATOM 831 O ASP A 52 1.948 7.356 -5.840 1.00 17.21 O ATOM 832 CB ASP A 52 -1.114 8.533 -4.730 1.00 21.05 C ATOM 833 CG ASP A 52 -2.278 8.286 -3.734 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.398 9.025 -2.734 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.022 7.315 -4.010 1.00 28.37 O ATOM 0 H ASP A 52 -0.466 8.583 -2.450 1.00 12.71 H new ATOM 0 HA ASP A 52 0.259 6.887 -4.225 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.018 9.605 -4.903 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.366 8.077 -5.688 1.00 21.05 H new ATOM 840 N GLY A 53 1.826 9.594 -5.484 1.00 15.00 N ATOM 841 CA GLY A 53 2.802 9.892 -6.469 1.00 11.77 C ATOM 842 C GLY A 53 4.184 9.661 -6.146 1.00 11.10 C ATOM 843 O GLY A 53 5.063 9.814 -6.978 1.00 11.25 O ATOM 0 H GLY A 53 1.474 10.406 -4.976 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.566 9.309 -7.359 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.694 10.943 -6.738 1.00 11.77 H new ATOM 847 N ARG A 54 4.481 9.298 -4.875 1.00 8.53 N ATOM 848 CA ARG A 54 5.764 9.018 -4.331 1.00 9.05 C ATOM 849 C ARG A 54 6.128 7.557 -4.532 1.00 8.96 C ATOM 850 O ARG A 54 5.272 6.735 -4.806 1.00 11.60 O ATOM 851 CB ARG A 54 5.876 9.403 -2.859 1.00 7.97 C ATOM 852 CG ARG A 54 5.686 10.898 -2.602 1.00 9.62 C ATOM 853 CD ARG A 54 6.980 11.657 -2.945 1.00 12.20 C ATOM 854 NE ARG A 54 7.076 12.919 -2.103 1.00 18.23 N ATOM 855 CZ ARG A 54 8.097 13.780 -2.195 1.00 22.08 C ATOM 856 NH1 ARG A 54 9.114 13.507 -2.975 1.00 25.50 N ATOM 857 NH2 ARG A 54 8.141 14.864 -1.460 1.00 23.38 N ATOM 0 H ARG A 54 3.746 9.195 -4.175 1.00 8.53 H new ATOM 0 HA ARG A 54 6.477 9.638 -4.875 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.132 8.847 -2.289 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.854 9.100 -2.486 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.861 11.277 -3.205 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.422 11.066 -1.558 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.845 11.020 -2.762 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.992 11.914 -4.004 1.00 12.20 H new ATOM 0 HE ARG A 54 6.329 13.119 -1.438 1.00 18.23 H new ATOM 0 HH11 ARG A 54 9.127 12.639 -3.511 1.00 25.50 H new ATOM 0 HH12 ARG A 54 9.893 14.162 -3.046 1.00 25.50 H new ATOM 0 HH21 ARG A 54 7.388 15.065 -0.802 1.00 23.38 H new ATOM 0 HH22 ARG A 54 8.928 15.507 -1.546 1.00 23.38 H new ATOM 871 N THR A 55 7.403 7.226 -4.366 1.00 9.05 N ATOM 872 CA THR A 55 7.937 5.825 -4.447 1.00 9.03 C ATOM 873 C THR A 55 8.150 5.307 -3.012 1.00 8.15 C ATOM 874 O THR A 55 8.249 6.040 -2.031 1.00 5.91 O ATOM 875 CB THR A 55 9.161 5.604 -5.291 1.00 11.15 C ATOM 876 OG1 THR A 55 10.323 6.301 -4.694 1.00 11.95 O ATOM 877 CG2 THR A 55 8.990 6.218 -6.730 1.00 11.71 C ATOM 0 H THR A 55 8.126 7.917 -4.167 1.00 9.05 H new ATOM 0 HA THR A 55 7.180 5.254 -4.985 1.00 9.03 H new ATOM 0 HB THR A 55 9.309 4.525 -5.345 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.010 7.067 -4.168 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.894 6.039 -7.312 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.140 5.750 -7.227 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.817 7.291 -6.649 1.00 11.71 H new ATOM 885 N LEU A 56 8.228 3.963 -2.861 1.00 6.91 N ATOM 886 CA LEU A 56 8.598 3.248 -1.630 1.00 8.29 C ATOM 887 C LEU A 56 9.919 3.775 -1.010 1.00 8.05 C ATOM 888 O LEU A 56 10.031 3.940 0.163 1.00 10.17 O ATOM 889 CB LEU A 56 8.720 1.714 -1.868 1.00 6.60 C ATOM 890 CG LEU A 56 7.316 0.980 -2.092 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.463 -0.509 -2.431 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.406 1.081 -0.830 1.00 8.64 C ATOM 0 H LEU A 56 8.025 3.326 -3.631 1.00 6.91 H new ATOM 0 HA LEU A 56 7.788 3.438 -0.925 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.353 1.540 -2.738 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.223 1.262 -1.013 1.00 6.60 H new ATOM 0 HG LEU A 56 6.864 1.499 -2.937 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.476 -0.949 -2.571 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.042 -0.618 -3.348 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.975 -1.019 -1.615 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.462 0.571 -1.021 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.906 0.613 0.018 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.213 2.130 -0.604 1.00 8.64 H new ATOM 904 N SER A 57 10.883 4.000 -1.935 1.00 8.92 N ATOM 905 CA SER A 57 12.205 4.516 -1.598 1.00 9.00 C ATOM 906 C SER A 57 12.195 5.863 -0.829 1.00 9.44 C ATOM 907 O SER A 57 13.065 6.178 0.030 1.00 10.91 O ATOM 908 CB SER A 57 13.109 4.731 -2.829 1.00 10.32 C ATOM 909 OG SER A 57 14.471 5.122 -2.568 1.00 13.59 O ATOM 0 H SER A 57 10.753 3.825 -2.931 1.00 8.92 H new ATOM 0 HA SER A 57 12.598 3.728 -0.956 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.124 3.806 -3.406 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.651 5.493 -3.460 1.00 10.32 H new ATOM 0 HG SER A 57 14.949 5.228 -3.417 1.00 13.59 H new ATOM 915 N ASP A 58 11.160 6.674 -1.064 1.00 9.11 N ATOM 916 CA ASP A 58 11.001 7.951 -0.367 1.00 7.91 C ATOM 917 C ASP A 58 10.520 7.868 1.114 1.00 9.12 C ATOM 918 O ASP A 58 10.617 8.825 1.893 1.00 8.61 O ATOM 919 CB ASP A 58 9.926 8.883 -1.106 1.00 8.41 C ATOM 920 CG ASP A 58 10.388 9.174 -2.548 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.452 9.846 -2.711 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.690 8.715 -3.543 1.00 11.70 O ATOM 0 H ASP A 58 10.419 6.467 -1.733 1.00 9.11 H new ATOM 0 HA ASP A 58 12.014 8.352 -0.382 1.00 7.91 H new ATOM 0 HB2 ASP A 58 8.953 8.392 -1.119 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.804 9.817 -0.558 1.00 8.41 H new ATOM 927 N TYR A 59 9.944 6.749 1.516 1.00 7.97 N ATOM 928 CA TYR A 59 9.541 6.410 2.777 1.00 8.45 C ATOM 929 C TYR A 59 10.554 5.501 3.423 1.00 10.98 C ATOM 930 O TYR A 59 10.441 5.050 4.586 1.00 12.95 O ATOM 931 CB TYR A 59 8.257 5.625 2.584 1.00 7.94 C ATOM 932 CG TYR A 59 7.204 6.605 2.197 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.720 7.648 3.024 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.736 6.501 0.945 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.754 8.563 2.552 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.778 7.411 0.453 1.00 6.52 C ATOM 937 CZ TYR A 59 5.319 8.458 1.277 1.00 6.76 C ATOM 938 OH TYR A 59 4.459 9.421 0.774 1.00 7.63 O ATOM 0 H TYR A 59 9.746 6.001 0.851 1.00 7.97 H new ATOM 0 HA TYR A 59 9.419 7.292 3.405 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.381 4.866 1.811 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.981 5.104 3.501 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.096 7.745 4.032 1.00 4.59 H new ATOM 0 HD2 TYR A 59 7.098 5.710 0.305 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.368 9.336 3.201 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.397 7.306 -0.552 1.00 6.52 H new ATOM 0 HH TYR A 59 4.601 9.515 -0.191 1.00 7.63 H new ATOM 948 N ASN A 60 11.673 5.202 2.731 1.00 12.38 N ATOM 949 CA ASN A 60 12.691 4.234 3.031 1.00 13.94 C ATOM 950 C ASN A 60 12.063 2.852 3.400 1.00 14.16 C ATOM 951 O ASN A 60 12.636 2.160 4.229 1.00 14.26 O ATOM 952 CB ASN A 60 13.530 4.788 4.153 1.00 19.23 C ATOM 953 CG ASN A 60 14.239 6.072 3.656 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.959 6.152 2.665 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.237 7.131 4.543 1.00 24.09 N ATOM 0 H ASN A 60 11.886 5.696 1.864 1.00 12.38 H new ATOM 0 HA ASN A 60 13.318 4.056 2.157 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.905 5.012 5.017 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.266 4.051 4.474 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.822 7.947 4.364 1.00 24.09 H new ATOM 0 HD22 ASN A 60 13.650 7.097 5.377 1.00 24.09 H new ATOM 962 N ILE A 61 10.963 2.363 2.746 1.00 11.08 N ATOM 963 CA ILE A 61 10.411 1.045 2.932 1.00 11.78 C ATOM 964 C ILE A 61 11.268 -0.009 2.291 1.00 13.74 C ATOM 965 O ILE A 61 11.690 0.171 1.171 1.00 14.60 O ATOM 966 CB ILE A 61 8.975 0.982 2.388 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.077 1.783 3.326 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.546 -0.493 2.176 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.585 1.965 2.896 1.00 11.42 C ATOM 0 H ILE A 61 10.446 2.916 2.063 1.00 11.08 H new ATOM 0 HA ILE A 61 10.388 0.843 4.003 1.00 11.78 H new ATOM 0 HB ILE A 61 8.893 1.439 1.402 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.092 1.300 4.303 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.516 2.773 3.453 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.527 -0.524 1.790 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.219 -0.969 1.462 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.591 -1.025 3.126 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.058 2.552 3.649 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.543 2.483 1.938 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.112 0.988 2.801 1.00 11.42 H new ATOM 981 N GLN A 62 11.709 -1.009 3.044 1.00 13.97 N ATOM 982 CA GLN A 62 12.645 -2.091 2.718 1.00 15.52 C ATOM 983 C GLN A 62 11.953 -3.451 2.400 1.00 13.94 C ATOM 984 O GLN A 62 10.729 -3.644 2.567 1.00 12.15 O ATOM 985 CB GLN A 62 13.745 -2.350 3.775 1.00 19.53 C ATOM 986 CG GLN A 62 14.720 -1.079 3.944 1.00 26.38 C ATOM 987 CD GLN A 62 15.637 -1.456 5.051 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.212 -1.585 6.245 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.944 -1.622 4.769 1.00 32.71 N ATOM 0 H GLN A 62 11.386 -1.096 4.008 1.00 13.97 H new ATOM 0 HA GLN A 62 13.121 -1.703 1.818 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.281 -2.583 4.733 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.331 -3.222 3.484 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.270 -0.876 3.025 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.158 -0.177 4.185 1.00 26.38 H new ATOM 0 HE21 GLN A 62 17.276 -1.517 3.810 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.601 -1.853 5.514 1.00 32.71 H new ATOM 998 N LYS A 63 12.696 -4.540 1.985 1.00 11.73 N ATOM 999 CA LYS A 63 12.186 -5.864 1.866 1.00 11.97 C ATOM 1000 C LYS A 63 11.482 -6.423 3.113 1.00 10.41 C ATOM 1001 O LYS A 63 11.760 -6.086 4.261 1.00 9.59 O ATOM 1002 CB LYS A 63 13.309 -6.812 1.490 1.00 13.73 C ATOM 1003 CG LYS A 63 14.257 -7.043 2.646 1.00 16.98 C ATOM 1004 CD LYS A 63 15.446 -7.976 2.277 1.00 20.19 C ATOM 1005 CE LYS A 63 15.108 -9.486 2.012 1.00 23.42 C ATOM 1006 NZ LYS A 63 15.082 -10.260 3.199 1.00 25.97 N ATOM 0 H LYS A 63 13.681 -4.467 1.731 1.00 11.73 H new ATOM 0 HA LYS A 63 11.421 -5.794 1.093 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.889 -7.765 1.168 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.861 -6.405 0.643 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.647 -6.084 2.987 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.706 -7.478 3.480 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.928 -7.575 1.386 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.177 -7.929 3.084 1.00 20.19 H new ATOM 0 HE2 LYS A 63 14.139 -9.555 1.517 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.846 -9.904 1.327 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 14.244 -10.876 3.194 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.941 -10.844 3.251 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 15.042 -9.629 4.024 1.00 25.97 H new ATOM 1020 N GLU A 64 10.464 -7.303 2.963 1.00 10.04 N ATOM 1021 CA GLU A 64 9.728 -8.042 3.974 1.00 10.94 C ATOM 1022 C GLU A 64 9.159 -7.140 5.150 1.00 9.74 C ATOM 1023 O GLU A 64 8.995 -7.516 6.312 1.00 9.42 O ATOM 1024 CB GLU A 64 10.568 -9.272 4.512 1.00 18.31 C ATOM 1025 CG GLU A 64 10.999 -10.329 3.429 1.00 24.16 C ATOM 1026 CD GLU A 64 11.866 -11.398 4.088 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.501 -11.992 5.195 1.00 32.61 O ATOM 1028 OE2 GLU A 64 12.972 -11.708 3.555 1.00 31.72 O ATOM 0 H GLU A 64 10.115 -7.523 2.030 1.00 10.04 H new ATOM 0 HA GLU A 64 8.843 -8.434 3.473 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.466 -8.890 4.998 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.983 -9.781 5.278 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.118 -10.786 2.978 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.551 -9.840 2.626 1.00 24.16 H new ATOM 1035 N SER A 65 8.751 -5.919 4.770 1.00 6.85 N ATOM 1036 CA SER A 65 7.970 -5.043 5.602 1.00 6.90 C ATOM 1037 C SER A 65 6.488 -5.384 5.465 1.00 4.72 C ATOM 1038 O SER A 65 5.993 -5.895 4.457 1.00 3.91 O ATOM 1039 CB SER A 65 8.109 -3.552 5.142 1.00 7.28 C ATOM 1040 OG SER A 65 9.509 -3.231 5.093 1.00 10.56 O ATOM 0 H SER A 65 8.968 -5.523 3.856 1.00 6.85 H new ATOM 0 HA SER A 65 8.330 -5.170 6.623 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.651 -3.411 4.163 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.590 -2.889 5.835 1.00 7.28 H new ATOM 0 HG SER A 65 9.853 -3.402 4.191 1.00 10.56 H new ATOM 1046 N THR A 66 5.709 -5.107 6.527 1.00 4.48 N ATOM 1047 CA THR A 66 4.236 -5.212 6.503 1.00 3.80 C ATOM 1048 C THR A 66 3.636 -3.867 6.449 1.00 4.60 C ATOM 1049 O THR A 66 3.904 -3.039 7.328 1.00 5.33 O ATOM 1050 CB THR A 66 3.642 -5.963 7.707 1.00 2.85 C ATOM 1051 OG1 THR A 66 3.957 -7.362 7.583 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.144 -5.881 7.720 1.00 3.40 C ATOM 0 H THR A 66 6.082 -4.804 7.427 1.00 4.48 H new ATOM 0 HA THR A 66 3.997 -5.792 5.611 1.00 3.80 H new ATOM 0 HB THR A 66 4.055 -5.513 8.610 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.584 -7.850 8.347 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.757 -6.422 8.584 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.837 -4.837 7.779 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.747 -6.325 6.807 1.00 3.40 H new ATOM 1060 N LEU A 67 2.777 -3.714 5.443 1.00 4.17 N ATOM 1061 CA LEU A 67 2.103 -2.488 5.077 1.00 3.85 C ATOM 1062 C LEU A 67 0.653 -2.764 5.533 1.00 3.80 C ATOM 1063 O LEU A 67 0.077 -3.792 5.359 1.00 5.54 O ATOM 1064 CB LEU A 67 2.162 -2.198 3.571 1.00 7.18 C ATOM 1065 CG LEU A 67 3.325 -1.340 3.150 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.743 -1.957 3.432 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.205 -0.950 1.657 1.00 11.66 C ATOM 0 H LEU A 67 2.524 -4.491 4.832 1.00 4.17 H new ATOM 0 HA LEU A 67 2.559 -1.608 5.532 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.210 -3.144 3.032 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.236 -1.707 3.271 1.00 7.18 H new ATOM 0 HG LEU A 67 3.260 -0.453 3.781 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.515 -1.265 3.094 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.857 -2.133 4.502 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.842 -2.901 2.896 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.056 -0.330 1.373 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.193 -1.852 1.045 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.281 -0.393 1.500 1.00 11.66 H new ATOM 1079 N HIS A 68 0.066 -1.737 6.201 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.356 -1.773 6.603 1.00 4.17 C ATOM 1081 C HIS A 68 -2.224 -1.208 5.490 1.00 5.32 C ATOM 1082 O HIS A 68 -1.916 -0.204 4.840 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.604 -1.062 7.973 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.154 -2.015 9.051 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -1.905 -3.130 9.352 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.063 -2.043 9.854 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -1.275 -3.772 10.340 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.148 -3.173 10.690 1.00 16.30 N ATOM 0 H HIS A 68 0.555 -0.883 6.469 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.640 -2.814 6.759 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.048 -0.126 8.028 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.658 -0.813 8.093 1.00 5.57 H new ATOM 0 HD2 HIS A 68 0.738 -1.319 9.853 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -1.644 -4.677 10.801 1.00 14.75 H new ATOM 0 HE2 HIS A 68 0.514 -3.466 11.408 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.408 -1.805 5.206 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.338 -1.341 4.199 1.00 3.97 C ATOM 1098 C LEU A 69 -5.585 -1.057 4.888 1.00 5.07 C ATOM 1099 O LEU A 69 -6.096 -1.877 5.652 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.626 -2.478 3.153 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.858 -2.451 2.184 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.814 -1.213 1.261 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.790 -3.724 1.331 1.00 9.96 C ATOM 0 H LEU A 69 -3.731 -2.641 5.694 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.930 -0.472 3.683 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.739 -2.553 2.524 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.696 -3.408 3.717 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.782 -2.402 2.760 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.681 -1.221 0.600 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.828 -0.307 1.867 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.902 -1.236 0.664 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.633 -3.745 0.640 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.858 -3.734 0.766 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.831 -4.599 1.980 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.157 0.143 4.657 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.437 0.538 5.190 1.00 6.26 C ATOM 1117 C VAL A 70 -8.223 1.243 4.181 1.00 9.22 C ATOM 1118 O VAL A 70 -7.669 1.836 3.270 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.361 1.491 6.391 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.267 0.611 7.635 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.139 2.434 6.314 1.00 8.54 C ATOM 0 H VAL A 70 -5.719 0.863 4.082 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.889 -0.402 5.505 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.241 2.134 6.410 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.210 1.241 8.523 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.149 -0.026 7.698 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -6.374 -0.011 7.574 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.129 3.089 7.186 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.224 1.843 6.294 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.201 3.037 5.408 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.518 1.083 4.317 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.493 1.643 3.393 1.00 16.06 C ATOM 1133 C LEU A 71 -10.569 3.141 3.544 1.00 18.09 C ATOM 1134 O LEU A 71 -10.384 3.770 4.585 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.825 0.942 3.709 1.00 17.10 C ATOM 1136 CG LEU A 71 -12.905 0.864 2.591 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -13.343 2.168 2.001 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -12.533 -0.202 1.512 1.00 19.57 C ATOM 0 H LEU A 71 -9.937 0.553 5.082 1.00 12.71 H new ATOM 0 HA LEU A 71 -10.220 1.473 2.351 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.598 -0.077 4.022 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.271 1.447 4.566 1.00 17.10 H new ATOM 0 HG LEU A 71 -13.805 0.528 3.107 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -14.096 1.986 1.234 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -13.767 2.797 2.784 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.486 2.672 1.555 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -13.308 -0.231 0.746 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -11.580 0.062 1.054 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -12.451 -1.182 1.982 1.00 19.57 H new