USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 THR OG1 : rot 128:sc= 0.597 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.261 USER MOD Single : A 1 MET CE :methyl -171:sc= 0 (180deg=-0.0455) USER MOD Single : A 1 MET N :NH3+ 151:sc= 0.887 (180deg=-0.0299) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 158:sc= -0.119 (180deg=-0.871) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -64:sc= 1.39 USER MOD Single : A 20 SER OG : rot -44:sc= 0.0919 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0124 USER MOD Single : A 25 ASN : amide:sc= -1.37 K(o=-1.4,f=-0.11) USER MOD Single : A 27 LYS NZ :NH3+ -140:sc= -0.0615 (180deg=-1.12) USER MOD Single : A 29 LYS NZ :NH3+ 167:sc= 0.00384 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -2.92! K(o=-2.9!,f=-1.1) USER MOD Single : A 33 LYS NZ :NH3+ -167:sc= -0.0718 (180deg=-0.299) USER MOD Single : A 40 GLN : amide:sc= -0.924 K(o=-0.92,f=0) USER MOD Single : A 41 GLN : amide:sc= -1.64 K(o=-1.6,f=-6.6!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -150:sc= -2.16 USER MOD Single : A 59 TYR OH : rot 165:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.0184 X(o=-0.018,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.208 K(o=-0.21,f=-0.9) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 63:sc= 1.09 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=-0.0043) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 54.021 -89.121 8.946 1.00 9.67 N ATOM 2 CA MET A 1 52.663 -88.554 9.180 1.00 10.38 C ATOM 3 C MET A 1 51.876 -88.563 7.876 1.00 9.62 C ATOM 4 O MET A 1 52.453 -88.508 6.789 1.00 9.62 O ATOM 5 CB MET A 1 52.793 -87.120 9.700 1.00 13.77 C ATOM 6 CG MET A 1 53.582 -86.271 8.702 1.00 16.29 C ATOM 7 SD MET A 1 53.916 -84.648 9.438 1.00 17.17 S ATOM 8 CE MET A 1 53.710 -83.651 7.941 1.00 16.11 C ATOM 0 H1 MET A 1 54.694 -88.698 9.616 1.00 9.67 H new ATOM 0 H2 MET A 1 53.996 -90.151 9.085 1.00 9.67 H new ATOM 0 H3 MET A 1 54.322 -88.910 7.973 1.00 9.67 H new ATOM 0 HA MET A 1 52.137 -89.158 9.919 1.00 10.38 H new ATOM 0 HB2 MET A 1 51.804 -86.689 9.854 1.00 13.77 H new ATOM 0 HB3 MET A 1 53.295 -87.119 10.667 1.00 13.77 H new ATOM 0 HG2 MET A 1 54.518 -86.767 8.444 1.00 16.29 H new ATOM 0 HG3 MET A 1 53.017 -86.155 7.777 1.00 16.29 H new ATOM 0 HE1 MET A 1 54.030 -82.628 8.138 1.00 16.11 H new ATOM 0 HE2 MET A 1 54.315 -84.072 7.138 1.00 16.11 H new ATOM 0 HE3 MET A 1 52.661 -83.653 7.644 1.00 16.11 H new ATOM 20 N GLN A 2 50.553 -88.637 7.992 1.00 9.27 N ATOM 21 CA GLN A 2 49.678 -88.658 6.819 1.00 9.07 C ATOM 22 C GLN A 2 49.126 -87.265 6.549 1.00 8.72 C ATOM 23 O GLN A 2 48.753 -86.533 7.469 1.00 8.22 O ATOM 24 CB GLN A 2 48.511 -89.618 7.062 1.00 14.46 C ATOM 25 CG GLN A 2 49.023 -91.059 7.067 1.00 17.01 C ATOM 26 CD GLN A 2 47.870 -92.019 7.340 1.00 20.10 C ATOM 27 OE1 GLN A 2 47.055 -91.774 8.230 1.00 21.89 O ATOM 28 NE2 GLN A 2 47.751 -93.103 6.623 1.00 19.49 N ATOM 0 H GLN A 2 50.062 -88.683 8.885 1.00 9.27 H new ATOM 0 HA GLN A 2 50.258 -88.990 5.958 1.00 9.07 H new ATOM 0 HB2 GLN A 2 48.031 -89.389 8.013 1.00 14.46 H new ATOM 0 HB3 GLN A 2 47.756 -89.492 6.286 1.00 14.46 H new ATOM 0 HG2 GLN A 2 49.484 -91.294 6.107 1.00 17.01 H new ATOM 0 HG3 GLN A 2 49.794 -91.177 7.828 1.00 17.01 H new ATOM 0 HE21 GLN A 2 48.427 -93.304 5.886 1.00 19.49 H new ATOM 0 HE22 GLN A 2 46.982 -93.749 6.799 1.00 19.49 H new ATOM 37 N ILE A 3 49.049 -86.925 5.258 1.00 5.87 N ATOM 38 CA ILE A 3 48.511 -85.640 4.820 1.00 5.07 C ATOM 39 C ILE A 3 47.469 -85.880 3.729 1.00 4.01 C ATOM 40 O ILE A 3 47.370 -86.983 3.184 1.00 4.61 O ATOM 41 CB ILE A 3 49.626 -84.706 4.328 1.00 6.55 C ATOM 42 CG1 ILE A 3 50.304 -85.251 3.062 1.00 4.72 C ATOM 43 CG2 ILE A 3 50.679 -84.553 5.430 1.00 5.58 C ATOM 44 CD1 ILE A 3 51.135 -84.132 2.430 1.00 10.83 C ATOM 0 H ILE A 3 49.356 -87.529 4.496 1.00 5.87 H new ATOM 0 HA ILE A 3 48.035 -85.146 5.667 1.00 5.07 H new ATOM 0 HB ILE A 3 49.177 -83.743 4.087 1.00 6.55 H new ATOM 0 HG12 ILE A 3 50.941 -86.100 3.310 1.00 4.72 H new ATOM 0 HG13 ILE A 3 49.554 -85.610 2.357 1.00 4.72 H new ATOM 0 HG21 ILE A 3 51.473 -83.891 5.085 1.00 5.58 H new ATOM 0 HG22 ILE A 3 50.215 -84.130 6.321 1.00 5.58 H new ATOM 0 HG23 ILE A 3 51.100 -85.530 5.669 1.00 5.58 H new ATOM 0 HD11 ILE A 3 51.623 -84.505 1.529 1.00 10.83 H new ATOM 0 HD12 ILE A 3 50.484 -83.297 2.171 1.00 10.83 H new ATOM 0 HD13 ILE A 3 51.891 -83.796 3.139 1.00 10.83 H new ATOM 56 N PHE A 4 46.697 -84.837 3.410 1.00 4.55 N ATOM 57 CA PHE A 4 45.661 -84.942 2.375 1.00 4.68 C ATOM 58 C PHE A 4 45.838 -83.873 1.303 1.00 5.30 C ATOM 59 O PHE A 4 46.093 -82.720 1.611 1.00 5.58 O ATOM 60 CB PHE A 4 44.286 -84.773 3.020 1.00 4.83 C ATOM 61 CG PHE A 4 44.054 -85.882 4.019 1.00 7.97 C ATOM 62 CD1 PHE A 4 43.627 -87.140 3.577 1.00 6.69 C ATOM 63 CD2 PHE A 4 44.262 -85.653 5.384 1.00 8.34 C ATOM 64 CE1 PHE A 4 43.409 -88.170 4.500 1.00 9.10 C ATOM 65 CE2 PHE A 4 44.044 -86.684 6.307 1.00 10.61 C ATOM 66 CZ PHE A 4 43.618 -87.942 5.864 1.00 8.90 C ATOM 0 H PHE A 4 46.767 -83.918 3.848 1.00 4.55 H new ATOM 0 HA PHE A 4 45.748 -85.922 1.905 1.00 4.68 H new ATOM 0 HB2 PHE A 4 44.223 -83.804 3.516 1.00 4.83 H new ATOM 0 HB3 PHE A 4 43.510 -84.791 2.255 1.00 4.83 H new ATOM 0 HD1 PHE A 4 43.466 -87.316 2.524 1.00 6.69 H new ATOM 0 HD2 PHE A 4 44.590 -84.682 5.725 1.00 8.34 H new ATOM 0 HE1 PHE A 4 43.080 -89.140 4.159 1.00 9.10 H new ATOM 0 HE2 PHE A 4 44.205 -86.508 7.360 1.00 10.61 H new ATOM 0 HZ PHE A 4 43.451 -88.737 6.576 1.00 8.90 H new ATOM 76 N VAL A 5 45.655 -84.261 0.037 1.00 4.44 N ATOM 77 CA VAL A 5 45.745 -83.308 -1.078 1.00 3.87 C ATOM 78 C VAL A 5 44.410 -83.296 -1.815 1.00 4.93 C ATOM 79 O VAL A 5 43.936 -84.337 -2.265 1.00 6.84 O ATOM 80 CB VAL A 5 46.864 -83.690 -2.053 1.00 2.99 C ATOM 81 CG1 VAL A 5 46.961 -82.617 -3.148 1.00 5.28 C ATOM 82 CG2 VAL A 5 48.201 -83.753 -1.302 1.00 9.13 C ATOM 0 H VAL A 5 45.445 -85.219 -0.242 1.00 4.44 H new ATOM 0 HA VAL A 5 45.974 -82.320 -0.678 1.00 3.87 H new ATOM 0 HB VAL A 5 46.645 -84.662 -2.495 1.00 2.99 H new ATOM 0 HG11 VAL A 5 47.755 -82.881 -3.847 1.00 5.28 H new ATOM 0 HG12 VAL A 5 46.013 -82.556 -3.682 1.00 5.28 H new ATOM 0 HG13 VAL A 5 47.184 -81.652 -2.693 1.00 5.28 H new ATOM 0 HG21 VAL A 5 48.996 -84.025 -1.996 1.00 9.13 H new ATOM 0 HG22 VAL A 5 48.419 -82.779 -0.864 1.00 9.13 H new ATOM 0 HG23 VAL A 5 48.139 -84.500 -0.511 1.00 9.13 H new ATOM 92 N LYS A 6 43.810 -82.113 -1.954 1.00 6.04 N ATOM 93 CA LYS A 6 42.530 -81.986 -2.660 1.00 6.12 C ATOM 94 C LYS A 6 42.774 -81.479 -4.080 1.00 6.57 C ATOM 95 O LYS A 6 43.609 -80.599 -4.301 1.00 5.76 O ATOM 96 CB LYS A 6 41.593 -81.013 -1.894 1.00 7.45 C ATOM 97 CG LYS A 6 40.448 -81.792 -1.221 1.00 11.12 C ATOM 98 CD LYS A 6 39.799 -80.950 -0.118 1.00 14.54 C ATOM 99 CE LYS A 6 39.526 -79.529 -0.620 1.00 18.84 C ATOM 100 NZ LYS A 6 38.532 -78.868 0.273 1.00 20.55 N ATOM 0 H LYS A 6 44.184 -81.236 -1.592 1.00 6.04 H new ATOM 0 HA LYS A 6 42.050 -82.963 -2.710 1.00 6.12 H new ATOM 0 HB2 LYS A 6 42.162 -80.467 -1.141 1.00 7.45 H new ATOM 0 HB3 LYS A 6 41.184 -80.274 -2.583 1.00 7.45 H new ATOM 0 HG2 LYS A 6 39.700 -82.065 -1.965 1.00 11.12 H new ATOM 0 HG3 LYS A 6 40.832 -82.721 -0.799 1.00 11.12 H new ATOM 0 HD2 LYS A 6 38.866 -81.415 0.202 1.00 14.54 H new ATOM 0 HD3 LYS A 6 40.453 -80.915 0.754 1.00 14.54 H new ATOM 0 HE2 LYS A 6 40.452 -78.955 -0.639 1.00 18.84 H new ATOM 0 HE3 LYS A 6 39.149 -79.559 -1.642 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 38.347 -77.903 -0.068 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 37.646 -79.413 0.269 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 38.909 -78.827 1.241 1.00 20.55 H new ATOM 114 N THR A 7 42.028 -82.035 -5.043 1.00 7.41 N ATOM 115 CA THR A 7 42.159 -81.626 -6.441 1.00 7.48 C ATOM 116 C THR A 7 41.001 -80.719 -6.848 1.00 8.75 C ATOM 117 O THR A 7 39.967 -80.648 -6.184 1.00 8.58 O ATOM 118 CB THR A 7 42.175 -82.844 -7.366 1.00 9.61 C ATOM 119 OG1 THR A 7 40.885 -83.435 -7.407 1.00 11.78 O ATOM 120 CG2 THR A 7 43.199 -83.874 -6.884 1.00 9.17 C ATOM 0 H THR A 7 41.333 -82.764 -4.879 1.00 7.41 H new ATOM 0 HA THR A 7 43.100 -81.085 -6.536 1.00 7.48 H new ATOM 0 HB THR A 7 42.456 -82.515 -8.366 1.00 9.61 H new ATOM 0 HG1 THR A 7 40.601 -83.537 -8.339 1.00 11.78 H new ATOM 0 HG21 THR A 7 43.195 -84.733 -7.555 1.00 9.17 H new ATOM 0 HG22 THR A 7 44.192 -83.424 -6.876 1.00 9.17 H new ATOM 0 HG23 THR A 7 42.941 -84.200 -5.876 1.00 9.17 H new ATOM 128 N LEU A 8 41.211 -80.048 -7.951 1.00 9.84 N ATOM 129 CA LEU A 8 40.199 -79.140 -8.486 1.00 14.15 C ATOM 130 C LEU A 8 38.930 -79.895 -8.864 1.00 17.37 C ATOM 131 O LEU A 8 37.881 -79.282 -9.060 1.00 17.01 O ATOM 132 CB LEU A 8 40.726 -78.411 -9.721 1.00 16.63 C ATOM 133 CG LEU A 8 41.937 -77.560 -9.343 1.00 18.88 C ATOM 134 CD1 LEU A 8 42.544 -76.961 -10.616 1.00 19.31 C ATOM 135 CD2 LEU A 8 41.524 -76.429 -8.379 1.00 18.59 C ATOM 0 H LEU A 8 42.067 -80.105 -8.503 1.00 9.84 H new ATOM 0 HA LEU A 8 39.967 -78.416 -7.705 1.00 14.15 H new ATOM 0 HB2 LEU A 8 41.003 -79.132 -10.490 1.00 16.63 H new ATOM 0 HB3 LEU A 8 39.944 -77.780 -10.143 1.00 16.63 H new ATOM 0 HG LEU A 8 42.673 -78.188 -8.841 1.00 18.88 H new ATOM 0 HD11 LEU A 8 43.409 -76.352 -10.355 1.00 19.31 H new ATOM 0 HD12 LEU A 8 42.854 -77.764 -11.284 1.00 19.31 H new ATOM 0 HD13 LEU A 8 41.801 -76.340 -11.116 1.00 19.31 H new ATOM 0 HD21 LEU A 8 42.399 -75.833 -8.121 1.00 18.59 H new ATOM 0 HD22 LEU A 8 40.782 -75.793 -8.861 1.00 18.59 H new ATOM 0 HD23 LEU A 8 41.099 -76.860 -7.473 1.00 18.59 H new ATOM 147 N THR A 9 39.020 -81.224 -8.980 1.00 18.33 N ATOM 148 CA THR A 9 37.850 -82.025 -9.355 1.00 19.24 C ATOM 149 C THR A 9 37.130 -82.583 -8.130 1.00 19.48 C ATOM 150 O THR A 9 36.143 -83.307 -8.254 1.00 23.14 O ATOM 151 CB THR A 9 38.228 -83.137 -10.335 1.00 18.97 C ATOM 152 OG1 THR A 9 39.058 -84.081 -9.672 1.00 20.24 O ATOM 153 CG2 THR A 9 38.983 -82.543 -11.525 1.00 19.70 C ATOM 0 H THR A 9 39.874 -81.760 -8.823 1.00 18.33 H new ATOM 0 HA THR A 9 37.152 -81.360 -9.863 1.00 19.24 H new ATOM 0 HB THR A 9 37.323 -83.628 -10.693 1.00 18.97 H new ATOM 0 HG1 THR A 9 39.302 -84.797 -10.295 1.00 20.24 H new ATOM 0 HG21 THR A 9 39.250 -83.339 -12.220 1.00 19.70 H new ATOM 0 HG22 THR A 9 38.349 -81.816 -12.032 1.00 19.70 H new ATOM 0 HG23 THR A 9 39.889 -82.050 -11.172 1.00 19.70 H new ATOM 161 N GLY A 10 37.601 -82.196 -6.944 1.00 19.43 N ATOM 162 CA GLY A 10 36.963 -82.614 -5.698 1.00 18.74 C ATOM 163 C GLY A 10 37.473 -83.946 -5.159 1.00 17.62 C ATOM 164 O GLY A 10 36.862 -84.544 -4.273 1.00 19.74 O ATOM 0 H GLY A 10 38.417 -81.597 -6.821 1.00 19.43 H new ATOM 0 HA2 GLY A 10 37.122 -81.843 -4.944 1.00 18.74 H new ATOM 0 HA3 GLY A 10 35.887 -82.686 -5.859 1.00 18.74 H new ATOM 168 N LYS A 11 38.601 -84.405 -5.700 1.00 13.56 N ATOM 169 CA LYS A 11 39.169 -85.677 -5.246 1.00 11.91 C ATOM 170 C LYS A 11 40.154 -85.434 -4.105 1.00 10.18 C ATOM 171 O LYS A 11 40.885 -84.446 -4.128 1.00 9.10 O ATOM 172 CB LYS A 11 39.917 -86.377 -6.386 1.00 13.43 C ATOM 173 CG LYS A 11 40.254 -87.813 -5.982 1.00 16.69 C ATOM 174 CD LYS A 11 41.001 -88.503 -7.128 1.00 17.92 C ATOM 175 CE LYS A 11 41.307 -89.951 -6.741 1.00 20.81 C ATOM 176 NZ LYS A 11 40.036 -90.656 -6.407 1.00 21.93 N ATOM 0 H LYS A 11 39.129 -83.932 -6.433 1.00 13.56 H new ATOM 0 HA LYS A 11 38.346 -86.307 -4.908 1.00 11.91 H new ATOM 0 HB2 LYS A 11 39.305 -86.378 -7.288 1.00 13.43 H new ATOM 0 HB3 LYS A 11 40.831 -85.832 -6.622 1.00 13.43 H new ATOM 0 HG2 LYS A 11 40.867 -87.814 -5.081 1.00 16.69 H new ATOM 0 HG3 LYS A 11 39.341 -88.360 -5.747 1.00 16.69 H new ATOM 0 HD2 LYS A 11 40.398 -88.478 -8.036 1.00 17.92 H new ATOM 0 HD3 LYS A 11 41.927 -87.970 -7.345 1.00 17.92 H new ATOM 0 HE2 LYS A 11 41.812 -90.459 -7.562 1.00 20.81 H new ATOM 0 HE3 LYS A 11 41.984 -89.975 -5.887 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 40.171 -91.682 -6.508 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 39.765 -90.438 -5.427 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 39.284 -90.340 -7.052 1.00 21.93 H new ATOM 190 N THR A 12 40.201 -86.342 -3.124 1.00 9.63 N ATOM 191 CA THR A 12 41.150 -86.195 -2.008 1.00 9.85 C ATOM 192 C THR A 12 42.120 -87.371 -2.020 1.00 11.66 C ATOM 193 O THR A 12 41.699 -88.528 -2.019 1.00 12.33 O ATOM 194 CB THR A 12 40.405 -86.140 -0.670 1.00 10.85 C ATOM 195 OG1 THR A 12 39.518 -85.030 -0.673 1.00 10.91 O ATOM 196 CG2 THR A 12 41.424 -85.967 0.460 1.00 9.63 C ATOM 0 H THR A 12 39.608 -87.171 -3.076 1.00 9.63 H new ATOM 0 HA THR A 12 41.702 -85.263 -2.128 1.00 9.85 H new ATOM 0 HB THR A 12 39.840 -87.060 -0.523 1.00 10.85 H new ATOM 0 HG1 THR A 12 39.038 -84.992 0.181 1.00 10.91 H new ATOM 0 HG21 THR A 12 40.903 -85.927 1.417 1.00 9.63 H new ATOM 0 HG22 THR A 12 42.116 -86.810 0.459 1.00 9.63 H new ATOM 0 HG23 THR A 12 41.980 -85.041 0.310 1.00 9.63 H new ATOM 204 N ILE A 13 43.422 -87.075 -2.011 1.00 10.42 N ATOM 205 CA ILE A 13 44.443 -88.128 -1.998 1.00 11.84 C ATOM 206 C ILE A 13 45.158 -88.138 -0.651 1.00 10.55 C ATOM 207 O ILE A 13 45.503 -87.086 -0.113 1.00 11.92 O ATOM 208 CB ILE A 13 45.499 -87.913 -3.094 1.00 14.86 C ATOM 209 CG1 ILE A 13 44.799 -87.492 -4.390 1.00 14.87 C ATOM 210 CG2 ILE A 13 46.272 -89.214 -3.329 1.00 17.08 C ATOM 211 CD1 ILE A 13 45.799 -87.458 -5.549 1.00 16.46 C ATOM 0 H ILE A 13 43.793 -86.125 -2.012 1.00 10.42 H new ATOM 0 HA ILE A 13 43.932 -89.074 -2.177 1.00 11.84 H new ATOM 0 HB ILE A 13 46.195 -87.135 -2.782 1.00 14.86 H new ATOM 0 HG12 ILE A 13 43.992 -88.188 -4.618 1.00 14.87 H new ATOM 0 HG13 ILE A 13 44.346 -86.509 -4.263 1.00 14.87 H new ATOM 0 HG21 ILE A 13 47.020 -89.058 -4.107 1.00 17.08 H new ATOM 0 HG22 ILE A 13 46.766 -89.515 -2.406 1.00 17.08 H new ATOM 0 HG23 ILE A 13 45.581 -89.996 -3.642 1.00 17.08 H new ATOM 0 HD11 ILE A 13 45.287 -87.157 -6.463 1.00 16.46 H new ATOM 0 HD12 ILE A 13 46.591 -86.744 -5.325 1.00 16.46 H new ATOM 0 HD13 ILE A 13 46.232 -88.449 -5.685 1.00 16.46 H new ATOM 223 N THR A 14 45.399 -89.338 -0.121 1.00 9.39 N ATOM 224 CA THR A 14 46.100 -89.477 1.155 1.00 9.63 C ATOM 225 C THR A 14 47.536 -89.894 0.882 1.00 11.20 C ATOM 226 O THR A 14 47.779 -90.821 0.109 1.00 11.63 O ATOM 227 CB THR A 14 45.415 -90.533 2.027 1.00 10.38 C ATOM 228 OG1 THR A 14 44.073 -90.140 2.274 1.00 16.30 O ATOM 229 CG2 THR A 14 46.162 -90.663 3.356 1.00 11.66 C ATOM 0 H THR A 14 45.122 -90.220 -0.551 1.00 9.39 H new ATOM 0 HA THR A 14 46.080 -88.524 1.684 1.00 9.63 H new ATOM 0 HB THR A 14 45.425 -91.493 1.512 1.00 10.38 H new ATOM 0 HG1 THR A 14 44.066 -89.306 2.788 1.00 16.30 H new ATOM 0 HG21 THR A 14 45.674 -91.415 3.976 1.00 11.66 H new ATOM 0 HG22 THR A 14 47.193 -90.963 3.166 1.00 11.66 H new ATOM 0 HG23 THR A 14 46.153 -89.704 3.874 1.00 11.66 H new ATOM 237 N LEU A 15 48.491 -89.202 1.504 1.00 8.29 N ATOM 238 CA LEU A 15 49.911 -89.513 1.301 1.00 9.03 C ATOM 239 C LEU A 15 50.611 -89.738 2.631 1.00 8.59 C ATOM 240 O LEU A 15 50.291 -89.090 3.626 1.00 7.79 O ATOM 241 CB LEU A 15 50.594 -88.351 0.573 1.00 11.08 C ATOM 242 CG LEU A 15 49.934 -88.119 -0.793 1.00 15.79 C ATOM 243 CD1 LEU A 15 50.531 -86.860 -1.430 1.00 15.88 C ATOM 244 CD2 LEU A 15 50.178 -89.328 -1.716 1.00 15.27 C ATOM 0 H LEU A 15 48.313 -88.430 2.146 1.00 8.29 H new ATOM 0 HA LEU A 15 49.979 -90.423 0.705 1.00 9.03 H new ATOM 0 HB2 LEU A 15 50.527 -87.445 1.176 1.00 11.08 H new ATOM 0 HB3 LEU A 15 51.654 -88.568 0.441 1.00 11.08 H new ATOM 0 HG LEU A 15 48.860 -87.994 -0.656 1.00 15.79 H new ATOM 0 HD11 LEU A 15 50.067 -86.689 -2.401 1.00 15.88 H new ATOM 0 HD12 LEU A 15 50.346 -86.002 -0.783 1.00 15.88 H new ATOM 0 HD13 LEU A 15 51.605 -86.992 -1.559 1.00 15.88 H new ATOM 0 HD21 LEU A 15 49.704 -89.150 -2.681 1.00 15.27 H new ATOM 0 HD22 LEU A 15 51.250 -89.467 -1.858 1.00 15.27 H new ATOM 0 HD23 LEU A 15 49.753 -90.223 -1.263 1.00 15.27 H new ATOM 256 N GLU A 16 51.622 -90.607 2.624 1.00 11.04 N ATOM 257 CA GLU A 16 52.426 -90.852 3.821 1.00 11.50 C ATOM 258 C GLU A 16 53.720 -90.075 3.622 1.00 10.13 C ATOM 259 O GLU A 16 54.426 -90.276 2.633 1.00 9.83 O ATOM 260 CB GLU A 16 52.705 -92.349 3.999 1.00 17.22 C ATOM 261 CG GLU A 16 53.257 -92.620 5.402 1.00 23.33 C ATOM 262 CD GLU A 16 54.692 -92.115 5.511 1.00 26.99 C ATOM 263 OE1 GLU A 16 55.592 -92.881 5.210 1.00 28.90 O ATOM 264 OE2 GLU A 16 54.870 -90.970 5.892 1.00 28.86 O ATOM 0 H GLU A 16 51.902 -91.150 1.808 1.00 11.04 H new ATOM 0 HA GLU A 16 51.904 -90.529 4.722 1.00 11.50 H new ATOM 0 HB2 GLU A 16 51.788 -92.918 3.844 1.00 17.22 H new ATOM 0 HB3 GLU A 16 53.420 -92.685 3.248 1.00 17.22 H new ATOM 0 HG2 GLU A 16 52.633 -92.127 6.148 1.00 23.33 H new ATOM 0 HG3 GLU A 16 53.223 -93.689 5.614 1.00 23.33 H new ATOM 271 N VAL A 17 54.016 -89.163 4.544 1.00 8.99 N ATOM 272 CA VAL A 17 55.214 -88.332 4.435 1.00 8.85 C ATOM 273 C VAL A 17 55.876 -88.128 5.790 1.00 8.04 C ATOM 274 O VAL A 17 55.293 -88.405 6.838 1.00 8.99 O ATOM 275 CB VAL A 17 54.826 -86.958 3.884 1.00 9.78 C ATOM 276 CG1 VAL A 17 54.249 -87.095 2.474 1.00 12.05 C ATOM 277 CG2 VAL A 17 53.778 -86.332 4.809 1.00 10.54 C ATOM 0 H VAL A 17 53.447 -88.980 5.371 1.00 8.99 H new ATOM 0 HA VAL A 17 55.914 -88.840 3.772 1.00 8.85 H new ATOM 0 HB VAL A 17 55.711 -86.324 3.838 1.00 9.78 H new ATOM 0 HG11 VAL A 17 53.977 -86.110 2.095 1.00 12.05 H new ATOM 0 HG12 VAL A 17 54.995 -87.544 1.818 1.00 12.05 H new ATOM 0 HG13 VAL A 17 53.363 -87.729 2.503 1.00 12.05 H new ATOM 0 HG21 VAL A 17 53.494 -85.352 4.426 1.00 10.54 H new ATOM 0 HG22 VAL A 17 52.899 -86.975 4.850 1.00 10.54 H new ATOM 0 HG23 VAL A 17 54.195 -86.223 5.810 1.00 10.54 H new ATOM 287 N GLU A 18 57.081 -87.568 5.741 1.00 7.29 N ATOM 288 CA GLU A 18 57.832 -87.227 6.948 1.00 7.08 C ATOM 289 C GLU A 18 58.008 -85.705 6.944 1.00 6.45 C ATOM 290 O GLU A 18 58.091 -85.116 5.865 1.00 5.28 O ATOM 291 CB GLU A 18 59.195 -87.931 6.960 1.00 10.28 C ATOM 292 CG GLU A 18 58.984 -89.445 6.950 1.00 12.65 C ATOM 293 CD GLU A 18 58.496 -89.873 5.571 1.00 14.15 C ATOM 294 OE1 GLU A 18 59.252 -89.726 4.625 1.00 14.33 O ATOM 295 OE2 GLU A 18 57.373 -90.342 5.480 1.00 18.17 O ATOM 0 H GLU A 18 57.563 -87.339 4.872 1.00 7.29 H new ATOM 0 HA GLU A 18 57.299 -87.555 7.841 1.00 7.08 H new ATOM 0 HB2 GLU A 18 59.781 -87.629 6.092 1.00 10.28 H new ATOM 0 HB3 GLU A 18 59.761 -87.637 7.844 1.00 10.28 H new ATOM 0 HG2 GLU A 18 59.915 -89.956 7.194 1.00 12.65 H new ATOM 0 HG3 GLU A 18 58.256 -89.728 7.711 1.00 12.65 H new ATOM 302 N PRO A 19 58.046 -85.029 8.071 1.00 7.24 N ATOM 303 CA PRO A 19 58.188 -83.550 8.058 1.00 7.07 C ATOM 304 C PRO A 19 59.419 -83.087 7.279 1.00 6.65 C ATOM 305 O PRO A 19 59.478 -81.945 6.821 1.00 6.37 O ATOM 306 CB PRO A 19 58.274 -83.136 9.542 1.00 7.61 C ATOM 307 CG PRO A 19 57.699 -84.302 10.293 1.00 8.16 C ATOM 308 CD PRO A 19 57.970 -85.554 9.444 1.00 7.49 C ATOM 0 HA PRO A 19 57.344 -83.083 7.550 1.00 7.07 H new ATOM 0 HB2 PRO A 19 59.304 -82.941 9.840 1.00 7.61 H new ATOM 0 HB3 PRO A 19 57.709 -82.224 9.733 1.00 7.61 H new ATOM 0 HG2 PRO A 19 58.161 -84.394 11.276 1.00 8.16 H new ATOM 0 HG3 PRO A 19 56.629 -84.168 10.454 1.00 8.16 H new ATOM 0 HD2 PRO A 19 58.898 -86.045 9.738 1.00 7.49 H new ATOM 0 HD3 PRO A 19 57.173 -86.290 9.549 1.00 7.49 H new ATOM 316 N SER A 20 60.409 -83.969 7.150 1.00 6.80 N ATOM 317 CA SER A 20 61.642 -83.625 6.445 1.00 6.28 C ATOM 318 C SER A 20 61.529 -83.851 4.936 1.00 8.45 C ATOM 319 O SER A 20 62.479 -83.578 4.203 1.00 7.26 O ATOM 320 CB SER A 20 62.810 -84.436 7.003 1.00 8.57 C ATOM 321 OG SER A 20 64.024 -83.745 6.740 1.00 11.13 O ATOM 0 H SER A 20 60.382 -84.919 7.521 1.00 6.80 H new ATOM 0 HA SER A 20 61.820 -82.562 6.606 1.00 6.28 H new ATOM 0 HB2 SER A 20 62.686 -84.584 8.076 1.00 8.57 H new ATOM 0 HB3 SER A 20 62.834 -85.425 6.545 1.00 8.57 H new ATOM 0 HG SER A 20 64.019 -83.413 5.818 1.00 11.13 H new ATOM 327 N ASP A 21 60.374 -84.321 4.457 1.00 7.50 N ATOM 328 CA ASP A 21 60.214 -84.522 3.020 1.00 7.70 C ATOM 329 C ASP A 21 60.171 -83.158 2.357 1.00 7.08 C ATOM 330 O ASP A 21 59.597 -82.197 2.887 1.00 8.11 O ATOM 331 CB ASP A 21 58.913 -85.278 2.710 1.00 11.00 C ATOM 332 CG ASP A 21 59.088 -86.771 2.960 1.00 15.32 C ATOM 333 OD1 ASP A 21 59.504 -87.461 2.044 1.00 14.36 O ATOM 334 OD2 ASP A 21 58.806 -87.202 4.062 1.00 18.03 O ATOM 0 H ASP A 21 59.561 -84.562 5.024 1.00 7.50 H new ATOM 0 HA ASP A 21 61.048 -85.115 2.644 1.00 7.70 H new ATOM 0 HB2 ASP A 21 58.105 -84.892 3.331 1.00 11.00 H new ATOM 0 HB3 ASP A 21 58.626 -85.109 1.672 1.00 11.00 H new ATOM 339 N THR A 22 60.753 -83.105 1.158 1.00 5.37 N ATOM 340 CA THR A 22 60.755 -81.888 0.372 1.00 6.01 C ATOM 341 C THR A 22 59.479 -81.809 -0.450 1.00 8.01 C ATOM 342 O THR A 22 58.855 -82.824 -0.746 1.00 8.11 O ATOM 343 CB THR A 22 61.947 -81.835 -0.578 1.00 8.92 C ATOM 344 OG1 THR A 22 61.895 -82.936 -1.473 1.00 10.22 O ATOM 345 CG2 THR A 22 63.266 -81.854 0.194 1.00 9.65 C ATOM 0 H THR A 22 61.226 -83.894 0.718 1.00 5.37 H new ATOM 0 HA THR A 22 60.821 -81.049 1.064 1.00 6.01 H new ATOM 0 HB THR A 22 61.896 -80.903 -1.142 1.00 8.92 H new ATOM 0 HG1 THR A 22 62.661 -82.898 -2.083 1.00 10.22 H new ATOM 0 HG21 THR A 22 64.099 -81.815 -0.508 1.00 9.65 H new ATOM 0 HG22 THR A 22 63.311 -80.991 0.859 1.00 9.65 H new ATOM 0 HG23 THR A 22 63.330 -82.769 0.783 1.00 9.65 H new ATOM 353 N ILE A 23 59.124 -80.598 -0.837 1.00 8.32 N ATOM 354 CA ILE A 23 57.943 -80.371 -1.659 1.00 9.92 C ATOM 355 C ILE A 23 58.102 -81.113 -2.988 1.00 10.01 C ATOM 356 O ILE A 23 57.152 -81.715 -3.485 1.00 8.71 O ATOM 357 CB ILE A 23 57.768 -78.865 -1.864 1.00 10.78 C ATOM 358 CG1 ILE A 23 57.470 -78.177 -0.520 1.00 11.38 C ATOM 359 CG2 ILE A 23 56.653 -78.586 -2.875 1.00 10.90 C ATOM 360 CD1 ILE A 23 56.197 -78.727 0.128 1.00 12.30 C ATOM 0 H ILE A 23 59.638 -79.750 -0.595 1.00 8.32 H new ATOM 0 HA ILE A 23 57.048 -80.755 -1.169 1.00 9.92 H new ATOM 0 HB ILE A 23 58.697 -78.457 -2.263 1.00 10.78 H new ATOM 0 HG12 ILE A 23 58.313 -78.319 0.156 1.00 11.38 H new ATOM 0 HG13 ILE A 23 57.364 -77.103 -0.676 1.00 11.38 H new ATOM 0 HG21 ILE A 23 56.543 -77.510 -3.008 1.00 10.90 H new ATOM 0 HG22 ILE A 23 56.905 -79.046 -3.831 1.00 10.90 H new ATOM 0 HG23 ILE A 23 55.716 -79.004 -2.507 1.00 10.90 H new ATOM 0 HD11 ILE A 23 56.021 -78.216 1.075 1.00 12.30 H new ATOM 0 HD12 ILE A 23 55.349 -78.561 -0.537 1.00 12.30 H new ATOM 0 HD13 ILE A 23 56.313 -79.796 0.309 1.00 12.30 H new ATOM 372 N GLU A 24 59.315 -81.090 -3.546 1.00 9.54 N ATOM 373 CA GLU A 24 59.582 -81.801 -4.799 1.00 11.81 C ATOM 374 C GLU A 24 59.303 -83.288 -4.594 1.00 11.14 C ATOM 375 O GLU A 24 58.783 -83.958 -5.482 1.00 10.62 O ATOM 376 CB GLU A 24 61.037 -81.599 -5.230 1.00 19.24 C ATOM 377 CG GLU A 24 61.303 -82.342 -6.542 1.00 27.76 C ATOM 378 CD GLU A 24 62.731 -82.077 -7.007 1.00 32.92 C ATOM 379 OE1 GLU A 24 62.929 -81.119 -7.736 1.00 36.51 O ATOM 380 OE2 GLU A 24 63.607 -82.836 -6.627 1.00 34.80 O ATOM 0 H GLU A 24 60.117 -80.595 -3.157 1.00 9.54 H new ATOM 0 HA GLU A 24 58.934 -81.406 -5.582 1.00 11.81 H new ATOM 0 HB2 GLU A 24 61.243 -80.536 -5.356 1.00 19.24 H new ATOM 0 HB3 GLU A 24 61.709 -81.964 -4.453 1.00 19.24 H new ATOM 0 HG2 GLU A 24 61.149 -83.412 -6.402 1.00 27.76 H new ATOM 0 HG3 GLU A 24 60.596 -82.016 -7.305 1.00 27.76 H new ATOM 387 N ASN A 25 59.656 -83.793 -3.418 1.00 9.43 N ATOM 388 CA ASN A 25 59.430 -85.205 -3.122 1.00 10.96 C ATOM 389 C ASN A 25 57.931 -85.484 -3.057 1.00 9.68 C ATOM 390 O ASN A 25 57.459 -86.482 -3.597 1.00 9.33 O ATOM 391 CB ASN A 25 60.096 -85.593 -1.802 1.00 16.78 C ATOM 392 CG ASN A 25 60.062 -87.106 -1.632 1.00 22.31 C ATOM 393 OD1 ASN A 25 60.714 -87.832 -2.382 1.00 25.66 O ATOM 394 ND2 ASN A 25 59.327 -87.627 -0.690 1.00 24.70 N ATOM 0 H ASN A 25 60.092 -83.259 -2.666 1.00 9.43 H new ATOM 0 HA ASN A 25 59.873 -85.805 -3.917 1.00 10.96 H new ATOM 0 HB2 ASN A 25 61.127 -85.239 -1.787 1.00 16.78 H new ATOM 0 HB3 ASN A 25 59.582 -85.113 -0.970 1.00 16.78 H new ATOM 0 HD21 ASN A 25 59.291 -88.640 -0.573 1.00 24.70 H new ATOM 0 HD22 ASN A 25 58.788 -87.022 -0.070 1.00 24.70 H new ATOM 401 N VAL A 26 57.185 -84.592 -2.409 1.00 6.52 N ATOM 402 CA VAL A 26 55.738 -84.761 -2.309 1.00 5.53 C ATOM 403 C VAL A 26 55.128 -84.776 -3.710 1.00 4.42 C ATOM 404 O VAL A 26 54.267 -85.608 -4.006 1.00 3.40 O ATOM 405 CB VAL A 26 55.110 -83.652 -1.462 1.00 3.86 C ATOM 406 CG1 VAL A 26 53.584 -83.740 -1.540 1.00 7.25 C ATOM 407 CG2 VAL A 26 55.566 -83.789 -0.009 1.00 8.12 C ATOM 0 H VAL A 26 57.552 -83.757 -1.952 1.00 6.52 H new ATOM 0 HA VAL A 26 55.531 -85.710 -1.815 1.00 5.53 H new ATOM 0 HB VAL A 26 55.430 -82.684 -1.846 1.00 3.86 H new ATOM 0 HG11 VAL A 26 53.142 -82.948 -0.935 1.00 7.25 H new ATOM 0 HG12 VAL A 26 53.265 -83.626 -2.576 1.00 7.25 H new ATOM 0 HG13 VAL A 26 53.256 -84.709 -1.164 1.00 7.25 H new ATOM 0 HG21 VAL A 26 55.116 -82.997 0.590 1.00 8.12 H new ATOM 0 HG22 VAL A 26 55.256 -84.759 0.380 1.00 8.12 H new ATOM 0 HG23 VAL A 26 56.652 -83.709 0.041 1.00 8.12 H new ATOM 417 N LYS A 27 55.582 -83.870 -4.588 1.00 2.64 N ATOM 418 CA LYS A 27 55.075 -83.825 -5.954 1.00 4.14 C ATOM 419 C LYS A 27 55.356 -85.159 -6.644 1.00 5.58 C ATOM 420 O LYS A 27 54.533 -85.663 -7.404 1.00 4.11 O ATOM 421 CB LYS A 27 55.782 -82.745 -6.772 1.00 3.97 C ATOM 422 CG LYS A 27 55.458 -81.317 -6.277 1.00 7.45 C ATOM 423 CD LYS A 27 55.363 -80.374 -7.500 1.00 9.02 C ATOM 424 CE LYS A 27 55.605 -78.920 -7.071 1.00 12.90 C ATOM 425 NZ LYS A 27 54.561 -78.511 -6.089 1.00 15.47 N ATOM 0 H LYS A 27 56.291 -83.169 -4.374 1.00 2.64 H new ATOM 0 HA LYS A 27 54.007 -83.613 -5.901 1.00 4.14 H new ATOM 0 HB2 LYS A 27 56.859 -82.906 -6.726 1.00 3.97 H new ATOM 0 HB3 LYS A 27 55.491 -82.838 -7.818 1.00 3.97 H new ATOM 0 HG2 LYS A 27 54.519 -81.313 -5.724 1.00 7.45 H new ATOM 0 HG3 LYS A 27 56.232 -80.970 -5.592 1.00 7.45 H new ATOM 0 HD2 LYS A 27 56.097 -80.666 -8.251 1.00 9.02 H new ATOM 0 HD3 LYS A 27 54.380 -80.465 -7.963 1.00 9.02 H new ATOM 0 HE2 LYS A 27 56.596 -78.821 -6.627 1.00 12.90 H new ATOM 0 HE3 LYS A 27 55.578 -78.264 -7.941 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 54.264 -77.534 -6.285 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 53.741 -79.145 -6.170 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 54.949 -78.568 -5.126 1.00 15.47 H new ATOM 439 N ALA A 28 56.542 -85.708 -6.382 1.00 6.61 N ATOM 440 CA ALA A 28 56.943 -86.969 -6.996 1.00 7.74 C ATOM 441 C ALA A 28 56.009 -88.093 -6.564 1.00 9.17 C ATOM 442 O ALA A 28 55.652 -88.955 -7.366 1.00 11.45 O ATOM 443 CB ALA A 28 58.394 -87.306 -6.639 1.00 7.68 C ATOM 0 H ALA A 28 57.235 -85.302 -5.754 1.00 6.61 H new ATOM 0 HA ALA A 28 56.874 -86.861 -8.079 1.00 7.74 H new ATOM 0 HB1 ALA A 28 58.674 -88.250 -7.107 1.00 7.68 H new ATOM 0 HB2 ALA A 28 59.051 -86.514 -6.999 1.00 7.68 H new ATOM 0 HB3 ALA A 28 58.491 -87.394 -5.557 1.00 7.68 H new ATOM 449 N LYS A 29 55.595 -88.064 -5.306 1.00 8.96 N ATOM 450 CA LYS A 29 54.676 -89.075 -4.800 1.00 7.90 C ATOM 451 C LYS A 29 53.330 -88.960 -5.516 1.00 6.92 C ATOM 452 O LYS A 29 52.732 -89.965 -5.889 1.00 6.87 O ATOM 453 CB LYS A 29 54.477 -88.908 -3.292 1.00 10.28 C ATOM 454 CG LYS A 29 55.758 -89.297 -2.552 1.00 14.94 C ATOM 455 CD LYS A 29 55.545 -89.124 -1.043 1.00 19.69 C ATOM 456 CE LYS A 29 56.800 -89.569 -0.267 1.00 22.63 C ATOM 457 NZ LYS A 29 56.623 -90.978 0.184 1.00 24.98 N ATOM 0 H LYS A 29 55.876 -87.361 -4.623 1.00 8.96 H new ATOM 0 HA LYS A 29 55.102 -90.060 -4.991 1.00 7.90 H new ATOM 0 HB2 LYS A 29 54.214 -87.875 -3.063 1.00 10.28 H new ATOM 0 HB3 LYS A 29 53.648 -89.530 -2.955 1.00 10.28 H new ATOM 0 HG2 LYS A 29 56.022 -90.330 -2.777 1.00 14.94 H new ATOM 0 HG3 LYS A 29 56.588 -88.675 -2.887 1.00 14.94 H new ATOM 0 HD2 LYS A 29 55.322 -88.081 -0.818 1.00 19.69 H new ATOM 0 HD3 LYS A 29 54.684 -89.710 -0.722 1.00 19.69 H new ATOM 0 HE2 LYS A 29 57.683 -89.486 -0.901 1.00 22.63 H new ATOM 0 HE3 LYS A 29 56.961 -88.917 0.592 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 57.536 -91.355 0.510 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 55.937 -91.009 0.965 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 56.273 -91.554 -0.608 1.00 24.98 H new ATOM 471 N ILE A 30 52.890 -87.720 -5.760 1.00 4.57 N ATOM 472 CA ILE A 30 51.644 -87.472 -6.487 1.00 5.58 C ATOM 473 C ILE A 30 51.774 -87.986 -7.924 1.00 7.26 C ATOM 474 O ILE A 30 50.831 -88.556 -8.464 1.00 9.46 O ATOM 475 CB ILE A 30 51.287 -85.982 -6.455 1.00 5.36 C ATOM 476 CG1 ILE A 30 50.874 -85.631 -5.014 1.00 2.94 C ATOM 477 CG2 ILE A 30 50.126 -85.709 -7.426 1.00 2.78 C ATOM 478 CD1 ILE A 30 50.477 -84.157 -4.900 1.00 2.00 C ATOM 0 H ILE A 30 53.379 -86.875 -5.464 1.00 4.57 H new ATOM 0 HA ILE A 30 50.831 -88.012 -6.001 1.00 5.58 H new ATOM 0 HB ILE A 30 52.137 -85.372 -6.760 1.00 5.36 H new ATOM 0 HG12 ILE A 30 50.039 -86.261 -4.708 1.00 2.94 H new ATOM 0 HG13 ILE A 30 51.699 -85.843 -4.334 1.00 2.94 H new ATOM 0 HG21 ILE A 30 49.873 -84.649 -7.402 1.00 2.78 H new ATOM 0 HG22 ILE A 30 50.424 -85.988 -8.437 1.00 2.78 H new ATOM 0 HG23 ILE A 30 49.257 -86.296 -7.128 1.00 2.78 H new ATOM 0 HD11 ILE A 30 50.190 -83.936 -3.872 1.00 2.00 H new ATOM 0 HD12 ILE A 30 51.322 -83.530 -5.184 1.00 2.00 H new ATOM 0 HD13 ILE A 30 49.636 -83.954 -5.563 1.00 2.00 H new ATOM 490 N GLN A 31 52.938 -87.785 -8.543 1.00 7.06 N ATOM 491 CA GLN A 31 53.153 -88.243 -9.918 1.00 8.67 C ATOM 492 C GLN A 31 52.975 -89.757 -9.979 1.00 10.90 C ATOM 493 O GLN A 31 52.358 -90.293 -10.900 1.00 9.63 O ATOM 494 CB GLN A 31 54.587 -87.897 -10.343 1.00 9.12 C ATOM 495 CG GLN A 31 54.860 -88.394 -11.770 1.00 10.76 C ATOM 496 CD GLN A 31 56.287 -88.044 -12.178 1.00 13.78 C ATOM 497 OE1 GLN A 31 56.708 -88.355 -13.292 1.00 14.48 O ATOM 498 NE2 GLN A 31 57.068 -87.429 -11.332 1.00 14.76 N ATOM 0 H GLN A 31 53.738 -87.314 -8.121 1.00 7.06 H new ATOM 0 HA GLN A 31 52.437 -87.758 -10.582 1.00 8.67 H new ATOM 0 HB2 GLN A 31 54.737 -86.819 -10.292 1.00 9.12 H new ATOM 0 HB3 GLN A 31 55.297 -88.351 -9.652 1.00 9.12 H new ATOM 0 HG2 GLN A 31 54.712 -89.473 -11.823 1.00 10.76 H new ATOM 0 HG3 GLN A 31 54.153 -87.940 -12.464 1.00 10.76 H new ATOM 0 HE21 GLN A 31 56.718 -87.172 -10.409 1.00 14.76 H new ATOM 0 HE22 GLN A 31 58.028 -87.206 -11.594 1.00 14.76 H new ATOM 507 N ASP A 32 53.554 -90.427 -9.007 1.00 10.93 N ATOM 508 CA ASP A 32 53.490 -91.880 -8.969 1.00 14.01 C ATOM 509 C ASP A 32 52.039 -92.356 -8.892 1.00 14.04 C ATOM 510 O ASP A 32 51.669 -93.359 -9.502 1.00 13.39 O ATOM 511 CB ASP A 32 54.235 -92.391 -7.736 1.00 18.01 C ATOM 512 CG ASP A 32 55.735 -92.174 -7.901 1.00 24.33 C ATOM 513 OD1 ASP A 32 56.161 -91.944 -9.022 1.00 26.29 O ATOM 514 OD2 ASP A 32 56.437 -92.243 -6.906 1.00 25.17 O ATOM 0 H ASP A 32 54.070 -89.999 -8.238 1.00 10.93 H new ATOM 0 HA ASP A 32 53.948 -92.267 -9.879 1.00 14.01 H new ATOM 0 HB2 ASP A 32 53.880 -91.871 -6.846 1.00 18.01 H new ATOM 0 HB3 ASP A 32 54.027 -93.451 -7.590 1.00 18.01 H new ATOM 519 N LYS A 33 51.238 -91.657 -8.092 1.00 14.22 N ATOM 520 CA LYS A 33 49.841 -92.040 -7.879 1.00 14.00 C ATOM 521 C LYS A 33 48.875 -91.570 -8.981 1.00 12.37 C ATOM 522 O LYS A 33 47.925 -92.286 -9.300 1.00 12.17 O ATOM 523 CB LYS A 33 49.345 -91.464 -6.548 1.00 18.62 C ATOM 524 CG LYS A 33 50.279 -91.877 -5.380 1.00 24.00 C ATOM 525 CD LYS A 33 49.449 -92.355 -4.182 1.00 27.61 C ATOM 526 CE LYS A 33 50.362 -92.558 -2.973 1.00 27.64 C ATOM 527 NZ LYS A 33 49.532 -92.801 -1.759 1.00 30.06 N ATOM 0 H LYS A 33 51.529 -90.824 -7.581 1.00 14.22 H new ATOM 0 HA LYS A 33 49.838 -93.130 -7.887 1.00 14.00 H new ATOM 0 HB2 LYS A 33 49.298 -90.377 -6.613 1.00 18.62 H new ATOM 0 HB3 LYS A 33 48.332 -91.816 -6.350 1.00 18.62 H new ATOM 0 HG2 LYS A 33 50.952 -92.671 -5.706 1.00 24.00 H new ATOM 0 HG3 LYS A 33 50.902 -91.032 -5.086 1.00 24.00 H new ATOM 0 HD2 LYS A 33 48.676 -91.623 -3.948 1.00 27.61 H new ATOM 0 HD3 LYS A 33 48.941 -93.288 -4.428 1.00 27.61 H new ATOM 0 HE2 LYS A 33 51.029 -93.402 -3.145 1.00 27.64 H new ATOM 0 HE3 LYS A 33 50.991 -91.680 -2.827 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 50.127 -92.720 -0.910 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 48.768 -92.097 -1.714 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 49.121 -93.755 -1.804 1.00 30.06 H new ATOM 541 N GLU A 34 49.043 -90.344 -9.489 1.00 10.11 N ATOM 542 CA GLU A 34 48.083 -89.784 -10.466 1.00 10.07 C ATOM 543 C GLU A 34 48.599 -89.615 -11.903 1.00 9.32 C ATOM 544 O GLU A 34 47.809 -89.434 -12.829 1.00 11.61 O ATOM 545 CB GLU A 34 47.614 -88.431 -9.916 1.00 14.77 C ATOM 546 CG GLU A 34 46.817 -88.670 -8.627 1.00 18.75 C ATOM 547 CD GLU A 34 45.479 -89.333 -8.941 1.00 22.28 C ATOM 548 OE1 GLU A 34 45.051 -89.246 -10.080 1.00 21.95 O ATOM 549 OE2 GLU A 34 44.903 -89.918 -8.039 1.00 25.19 O ATOM 0 H GLU A 34 49.818 -89.725 -9.250 1.00 10.11 H new ATOM 0 HA GLU A 34 47.278 -90.512 -10.565 1.00 10.07 H new ATOM 0 HB2 GLU A 34 48.471 -87.788 -9.716 1.00 14.77 H new ATOM 0 HB3 GLU A 34 46.995 -87.918 -10.653 1.00 14.77 H new ATOM 0 HG2 GLU A 34 47.392 -89.301 -7.949 1.00 18.75 H new ATOM 0 HG3 GLU A 34 46.649 -87.722 -8.115 1.00 18.75 H new ATOM 556 N GLY A 35 49.909 -89.706 -12.092 1.00 7.22 N ATOM 557 CA GLY A 35 50.486 -89.594 -13.436 1.00 6.29 C ATOM 558 C GLY A 35 50.651 -88.141 -13.900 1.00 6.93 C ATOM 559 O GLY A 35 50.922 -87.879 -15.072 1.00 7.41 O ATOM 0 H GLY A 35 50.589 -89.855 -11.346 1.00 7.22 H new ATOM 0 HA2 GLY A 35 51.458 -90.086 -13.450 1.00 6.29 H new ATOM 0 HA3 GLY A 35 49.850 -90.125 -14.144 1.00 6.29 H new ATOM 563 N ILE A 36 50.478 -87.211 -12.974 1.00 5.86 N ATOM 564 CA ILE A 36 50.603 -85.785 -13.293 1.00 6.07 C ATOM 565 C ILE A 36 52.079 -85.358 -13.173 1.00 6.36 C ATOM 566 O ILE A 36 52.636 -85.430 -12.077 1.00 6.18 O ATOM 567 CB ILE A 36 49.770 -84.972 -12.295 1.00 7.47 C ATOM 568 CG1 ILE A 36 48.328 -85.529 -12.205 1.00 8.52 C ATOM 569 CG2 ILE A 36 49.716 -83.508 -12.756 1.00 7.36 C ATOM 570 CD1 ILE A 36 47.714 -85.159 -10.849 1.00 9.49 C ATOM 0 H ILE A 36 50.252 -87.409 -11.999 1.00 5.86 H new ATOM 0 HA ILE A 36 50.250 -85.608 -14.309 1.00 6.07 H new ATOM 0 HB ILE A 36 50.236 -85.042 -11.312 1.00 7.47 H new ATOM 0 HG12 ILE A 36 47.720 -85.123 -13.013 1.00 8.52 H new ATOM 0 HG13 ILE A 36 48.338 -86.612 -12.327 1.00 8.52 H new ATOM 0 HG21 ILE A 36 49.125 -82.926 -12.049 1.00 7.36 H new ATOM 0 HG22 ILE A 36 50.727 -83.104 -12.803 1.00 7.36 H new ATOM 0 HG23 ILE A 36 49.258 -83.454 -13.744 1.00 7.36 H new ATOM 0 HD11 ILE A 36 46.699 -85.553 -10.789 1.00 9.49 H new ATOM 0 HD12 ILE A 36 48.317 -85.587 -10.048 1.00 9.49 H new ATOM 0 HD13 ILE A 36 47.689 -84.074 -10.745 1.00 9.49 H new ATOM 582 N PRO A 37 52.742 -84.921 -14.234 1.00 8.65 N ATOM 583 CA PRO A 37 54.177 -84.507 -14.129 1.00 9.18 C ATOM 584 C PRO A 37 54.387 -83.352 -13.113 1.00 9.85 C ATOM 585 O PRO A 37 53.643 -82.372 -13.135 1.00 8.51 O ATOM 586 CB PRO A 37 54.565 -84.075 -15.555 1.00 11.42 C ATOM 587 CG PRO A 37 53.520 -84.665 -16.451 1.00 9.27 C ATOM 588 CD PRO A 37 52.241 -84.782 -15.616 1.00 8.33 C ATOM 0 HA PRO A 37 54.799 -85.321 -13.757 1.00 9.18 H new ATOM 0 HB2 PRO A 37 54.589 -82.989 -15.643 1.00 11.42 H new ATOM 0 HB3 PRO A 37 55.558 -84.438 -15.818 1.00 11.42 H new ATOM 0 HG2 PRO A 37 53.356 -84.033 -17.324 1.00 9.27 H new ATOM 0 HG3 PRO A 37 53.833 -85.642 -16.819 1.00 9.27 H new ATOM 0 HD2 PRO A 37 51.608 -83.902 -15.727 1.00 8.33 H new ATOM 0 HD3 PRO A 37 51.644 -85.644 -15.915 1.00 8.33 H new ATOM 596 N PRO A 38 55.378 -83.447 -12.228 1.00 8.71 N ATOM 597 CA PRO A 38 55.661 -82.383 -11.203 1.00 9.08 C ATOM 598 C PRO A 38 55.720 -80.957 -11.771 1.00 9.28 C ATOM 599 O PRO A 38 55.426 -80.002 -11.052 1.00 6.50 O ATOM 600 CB PRO A 38 57.036 -82.768 -10.643 1.00 10.31 C ATOM 601 CG PRO A 38 57.130 -84.243 -10.820 1.00 10.81 C ATOM 602 CD PRO A 38 56.329 -84.575 -12.083 1.00 12.00 C ATOM 0 HA PRO A 38 54.859 -82.351 -10.466 1.00 9.08 H new ATOM 0 HB2 PRO A 38 57.836 -82.255 -11.177 1.00 10.31 H new ATOM 0 HB3 PRO A 38 57.125 -82.491 -9.593 1.00 10.31 H new ATOM 0 HG2 PRO A 38 58.169 -84.557 -10.924 1.00 10.81 H new ATOM 0 HG3 PRO A 38 56.725 -84.765 -9.954 1.00 10.81 H new ATOM 0 HD2 PRO A 38 56.979 -84.660 -12.954 1.00 12.00 H new ATOM 0 HD3 PRO A 38 55.805 -85.525 -11.982 1.00 12.00 H new ATOM 610 N ASP A 39 56.124 -80.793 -13.022 1.00 11.20 N ATOM 611 CA ASP A 39 56.235 -79.448 -13.590 1.00 14.96 C ATOM 612 C ASP A 39 54.860 -78.844 -13.854 1.00 13.99 C ATOM 613 O ASP A 39 54.731 -77.633 -14.035 1.00 13.75 O ATOM 614 CB ASP A 39 57.061 -79.494 -14.879 1.00 24.16 C ATOM 615 CG ASP A 39 56.251 -80.138 -16.001 1.00 31.06 C ATOM 616 OD1 ASP A 39 56.321 -81.348 -16.137 1.00 34.22 O ATOM 617 OD2 ASP A 39 55.573 -79.411 -16.708 1.00 35.55 O ATOM 0 H ASP A 39 56.376 -81.552 -13.655 1.00 11.20 H new ATOM 0 HA ASP A 39 56.741 -78.810 -12.866 1.00 14.96 H new ATOM 0 HB2 ASP A 39 57.356 -78.485 -15.167 1.00 24.16 H new ATOM 0 HB3 ASP A 39 57.978 -80.059 -14.712 1.00 24.16 H new ATOM 622 N GLN A 40 53.831 -79.691 -13.878 1.00 11.60 N ATOM 623 CA GLN A 40 52.465 -79.223 -14.127 1.00 10.76 C ATOM 624 C GLN A 40 51.674 -79.090 -12.830 1.00 8.01 C ATOM 625 O GLN A 40 50.492 -78.746 -12.846 1.00 8.96 O ATOM 626 CB GLN A 40 51.731 -80.193 -15.057 1.00 11.14 C ATOM 627 CG GLN A 40 52.356 -80.144 -16.449 1.00 14.85 C ATOM 628 CD GLN A 40 51.522 -80.968 -17.425 1.00 16.11 C ATOM 629 OE1 GLN A 40 51.648 -80.809 -18.639 1.00 20.52 O ATOM 630 NE2 GLN A 40 50.672 -81.844 -16.963 1.00 18.16 N ATOM 0 H GLN A 40 53.914 -80.697 -13.730 1.00 11.60 H new ATOM 0 HA GLN A 40 52.540 -78.242 -14.595 1.00 10.76 H new ATOM 0 HB2 GLN A 40 51.786 -81.206 -14.659 1.00 11.14 H new ATOM 0 HB3 GLN A 40 50.675 -79.930 -15.113 1.00 11.14 H new ATOM 0 HG2 GLN A 40 52.418 -79.111 -16.793 1.00 14.85 H new ATOM 0 HG3 GLN A 40 53.375 -80.530 -16.413 1.00 14.85 H new ATOM 0 HE21 GLN A 40 50.570 -81.974 -15.956 1.00 18.16 H new ATOM 0 HE22 GLN A 40 50.110 -82.399 -17.608 1.00 18.16 H new ATOM 639 N GLN A 41 52.322 -79.408 -11.712 1.00 6.52 N ATOM 640 CA GLN A 41 51.660 -79.370 -10.404 1.00 3.87 C ATOM 641 C GLN A 41 52.085 -78.183 -9.539 1.00 4.79 C ATOM 642 O GLN A 41 53.267 -77.853 -9.439 1.00 6.34 O ATOM 643 CB GLN A 41 52.001 -80.659 -9.650 1.00 4.20 C ATOM 644 CG GLN A 41 51.246 -81.838 -10.252 1.00 3.20 C ATOM 645 CD GLN A 41 51.514 -83.089 -9.422 1.00 4.89 C ATOM 646 OE1 GLN A 41 51.178 -83.132 -8.239 1.00 5.21 O ATOM 647 NE2 GLN A 41 52.100 -84.116 -9.975 1.00 7.13 N ATOM 0 H GLN A 41 53.301 -79.694 -11.682 1.00 6.52 H new ATOM 0 HA GLN A 41 50.591 -79.268 -10.590 1.00 3.87 H new ATOM 0 HB2 GLN A 41 53.074 -80.843 -9.697 1.00 4.20 H new ATOM 0 HB3 GLN A 41 51.742 -80.552 -8.597 1.00 4.20 H new ATOM 0 HG2 GLN A 41 50.177 -81.626 -10.275 1.00 3.20 H new ATOM 0 HG3 GLN A 41 51.562 -81.998 -11.283 1.00 3.20 H new ATOM 0 HE21 GLN A 41 52.377 -84.078 -10.956 1.00 7.13 H new ATOM 0 HE22 GLN A 41 52.280 -84.957 -9.426 1.00 7.13 H new ATOM 656 N ARG A 42 51.094 -77.590 -8.869 1.00 5.73 N ATOM 657 CA ARG A 42 51.319 -76.479 -7.943 1.00 6.97 C ATOM 658 C ARG A 42 50.678 -76.827 -6.599 1.00 7.15 C ATOM 659 O ARG A 42 49.482 -77.095 -6.531 1.00 7.33 O ATOM 660 CB ARG A 42 50.702 -75.178 -8.474 1.00 13.23 C ATOM 661 CG ARG A 42 51.615 -74.571 -9.536 1.00 21.27 C ATOM 662 CD ARG A 42 50.901 -73.404 -10.218 1.00 26.14 C ATOM 663 NE ARG A 42 51.819 -72.706 -11.110 1.00 32.26 N ATOM 664 CZ ARG A 42 52.563 -73.373 -11.985 1.00 34.32 C ATOM 665 NH1 ARG A 42 52.095 -74.455 -12.546 1.00 36.39 N ATOM 666 NH2 ARG A 42 53.761 -72.948 -12.284 1.00 35.30 N ATOM 0 H ARG A 42 50.116 -77.866 -8.953 1.00 5.73 H new ATOM 0 HA ARG A 42 52.393 -76.326 -7.833 1.00 6.97 H new ATOM 0 HB2 ARG A 42 49.718 -75.378 -8.898 1.00 13.23 H new ATOM 0 HB3 ARG A 42 50.560 -74.472 -7.656 1.00 13.23 H new ATOM 0 HG2 ARG A 42 52.543 -74.226 -9.079 1.00 21.27 H new ATOM 0 HG3 ARG A 42 51.885 -75.327 -10.274 1.00 21.27 H new ATOM 0 HD2 ARG A 42 50.044 -73.772 -10.782 1.00 26.14 H new ATOM 0 HD3 ARG A 42 50.517 -72.714 -9.467 1.00 26.14 H new ATOM 0 HE ARG A 42 51.891 -71.690 -11.061 1.00 32.26 H new ATOM 0 HH11 ARG A 42 51.159 -74.787 -12.312 1.00 36.39 H new ATOM 0 HH12 ARG A 42 52.665 -74.968 -13.218 1.00 36.39 H new ATOM 0 HH21 ARG A 42 54.127 -72.103 -11.845 1.00 35.30 H new ATOM 0 HH22 ARG A 42 54.331 -73.461 -12.956 1.00 35.30 H new ATOM 680 N LEU A 43 51.471 -76.828 -5.525 1.00 4.65 N ATOM 681 CA LEU A 43 50.972 -77.150 -4.182 1.00 3.51 C ATOM 682 C LEU A 43 50.832 -75.877 -3.353 1.00 5.56 C ATOM 683 O LEU A 43 51.745 -75.052 -3.289 1.00 4.19 O ATOM 684 CB LEU A 43 51.941 -78.135 -3.507 1.00 3.74 C ATOM 685 CG LEU A 43 51.850 -79.542 -4.118 1.00 6.32 C ATOM 686 CD1 LEU A 43 52.986 -80.391 -3.540 1.00 9.55 C ATOM 687 CD2 LEU A 43 50.506 -80.202 -3.752 1.00 6.41 C ATOM 0 H LEU A 43 52.467 -76.609 -5.558 1.00 4.65 H new ATOM 0 HA LEU A 43 49.988 -77.613 -4.258 1.00 3.51 H new ATOM 0 HB2 LEU A 43 52.961 -77.763 -3.603 1.00 3.74 H new ATOM 0 HB3 LEU A 43 51.720 -78.188 -2.441 1.00 3.74 H new ATOM 0 HG LEU A 43 51.926 -79.470 -5.203 1.00 6.32 H new ATOM 0 HD11 LEU A 43 52.940 -81.395 -3.961 1.00 9.55 H new ATOM 0 HD12 LEU A 43 53.944 -79.936 -3.791 1.00 9.55 H new ATOM 0 HD13 LEU A 43 52.883 -80.447 -2.456 1.00 9.55 H new ATOM 0 HD21 LEU A 43 50.458 -81.198 -4.193 1.00 6.41 H new ATOM 0 HD22 LEU A 43 50.422 -80.280 -2.668 1.00 6.41 H new ATOM 0 HD23 LEU A 43 49.686 -79.595 -4.136 1.00 6.41 H new ATOM 699 N ILE A 44 49.658 -75.722 -2.743 1.00 4.58 N ATOM 700 CA ILE A 44 49.354 -74.541 -1.935 1.00 5.55 C ATOM 701 C ILE A 44 48.849 -74.933 -0.550 1.00 5.46 C ATOM 702 O ILE A 44 48.038 -75.851 -0.407 1.00 6.04 O ATOM 703 CB ILE A 44 48.300 -73.705 -2.667 1.00 6.80 C ATOM 704 CG1 ILE A 44 48.794 -73.467 -4.116 1.00 10.31 C ATOM 705 CG2 ILE A 44 48.091 -72.372 -1.928 1.00 7.39 C ATOM 706 CD1 ILE A 44 48.199 -72.189 -4.708 1.00 13.90 C ATOM 0 H ILE A 44 48.899 -76.402 -2.793 1.00 4.58 H new ATOM 0 HA ILE A 44 50.265 -73.959 -1.798 1.00 5.55 H new ATOM 0 HB ILE A 44 47.343 -74.226 -2.692 1.00 6.80 H new ATOM 0 HG12 ILE A 44 49.882 -73.401 -4.124 1.00 10.31 H new ATOM 0 HG13 ILE A 44 48.522 -74.319 -4.739 1.00 10.31 H new ATOM 0 HG21 ILE A 44 47.341 -71.780 -2.451 1.00 7.39 H new ATOM 0 HG22 ILE A 44 47.753 -72.569 -0.911 1.00 7.39 H new ATOM 0 HG23 ILE A 44 49.031 -71.822 -1.898 1.00 7.39 H new ATOM 0 HD11 ILE A 44 48.567 -72.053 -5.725 1.00 13.90 H new ATOM 0 HD12 ILE A 44 47.112 -72.267 -4.723 1.00 13.90 H new ATOM 0 HD13 ILE A 44 48.493 -71.334 -4.099 1.00 13.90 H new ATOM 718 N PHE A 45 49.323 -74.208 0.465 1.00 6.75 N ATOM 719 CA PHE A 45 48.910 -74.452 1.847 1.00 4.70 C ATOM 720 C PHE A 45 48.643 -73.128 2.553 1.00 6.34 C ATOM 721 O PHE A 45 49.475 -72.221 2.534 1.00 5.45 O ATOM 722 CB PHE A 45 49.987 -75.238 2.602 1.00 5.51 C ATOM 723 CG PHE A 45 49.600 -75.354 4.059 1.00 5.98 C ATOM 724 CD1 PHE A 45 48.819 -76.430 4.494 1.00 5.87 C ATOM 725 CD2 PHE A 45 50.019 -74.379 4.973 1.00 6.86 C ATOM 726 CE1 PHE A 45 48.457 -76.532 5.843 1.00 6.64 C ATOM 727 CE2 PHE A 45 49.657 -74.481 6.321 1.00 6.68 C ATOM 728 CZ PHE A 45 48.876 -75.558 6.756 1.00 6.84 C ATOM 0 H PHE A 45 49.993 -73.447 0.355 1.00 6.75 H new ATOM 0 HA PHE A 45 47.994 -75.043 1.834 1.00 4.70 H new ATOM 0 HB2 PHE A 45 50.101 -76.230 2.165 1.00 5.51 H new ATOM 0 HB3 PHE A 45 50.950 -74.736 2.510 1.00 5.51 H new ATOM 0 HD1 PHE A 45 48.495 -77.182 3.790 1.00 5.87 H new ATOM 0 HD2 PHE A 45 50.622 -73.548 4.637 1.00 6.86 H new ATOM 0 HE1 PHE A 45 47.854 -77.363 6.179 1.00 6.64 H new ATOM 0 HE2 PHE A 45 49.980 -73.729 7.025 1.00 6.68 H new ATOM 0 HZ PHE A 45 48.597 -75.637 7.796 1.00 6.84 H new ATOM 738 N ALA A 46 47.481 -73.034 3.184 1.00 6.53 N ATOM 739 CA ALA A 46 47.096 -71.835 3.913 1.00 7.15 C ATOM 740 C ALA A 46 47.300 -70.572 3.080 1.00 9.00 C ATOM 741 O ALA A 46 47.694 -69.529 3.600 1.00 11.15 O ATOM 742 CB ALA A 46 47.880 -71.758 5.224 1.00 8.99 C ATOM 0 H ALA A 46 46.785 -73.779 3.205 1.00 6.53 H new ATOM 0 HA ALA A 46 46.031 -71.898 4.135 1.00 7.15 H new ATOM 0 HB1 ALA A 46 47.591 -70.859 5.769 1.00 8.99 H new ATOM 0 HB2 ALA A 46 47.661 -72.637 5.831 1.00 8.99 H new ATOM 0 HB3 ALA A 46 48.948 -71.723 5.008 1.00 8.99 H new ATOM 748 N GLY A 47 46.968 -70.662 1.791 1.00 9.35 N ATOM 749 CA GLY A 47 47.053 -69.501 0.906 1.00 11.68 C ATOM 750 C GLY A 47 48.453 -69.219 0.358 1.00 11.14 C ATOM 751 O GLY A 47 48.626 -68.251 -0.382 1.00 13.93 O ATOM 0 H GLY A 47 46.641 -71.517 1.341 1.00 9.35 H new ATOM 0 HA2 GLY A 47 46.372 -69.649 0.068 1.00 11.68 H new ATOM 0 HA3 GLY A 47 46.705 -68.621 1.448 1.00 11.68 H new ATOM 755 N LYS A 48 49.461 -70.027 0.713 1.00 10.47 N ATOM 756 CA LYS A 48 50.830 -69.784 0.226 1.00 8.82 C ATOM 757 C LYS A 48 51.285 -70.884 -0.733 1.00 7.68 C ATOM 758 O LYS A 48 51.050 -72.068 -0.490 1.00 6.47 O ATOM 759 CB LYS A 48 51.808 -69.748 1.403 1.00 9.74 C ATOM 760 CG LYS A 48 51.313 -68.767 2.473 1.00 14.14 C ATOM 761 CD LYS A 48 52.297 -68.726 3.651 1.00 16.32 C ATOM 762 CE LYS A 48 52.088 -69.938 4.566 1.00 20.04 C ATOM 763 NZ LYS A 48 52.903 -69.769 5.802 1.00 23.92 N ATOM 0 H LYS A 48 49.361 -70.839 1.323 1.00 10.47 H new ATOM 0 HA LYS A 48 50.822 -68.828 -0.298 1.00 8.82 H new ATOM 0 HB2 LYS A 48 51.909 -70.745 1.832 1.00 9.74 H new ATOM 0 HB3 LYS A 48 52.797 -69.449 1.055 1.00 9.74 H new ATOM 0 HG2 LYS A 48 51.208 -67.771 2.043 1.00 14.14 H new ATOM 0 HG3 LYS A 48 50.326 -69.068 2.824 1.00 14.14 H new ATOM 0 HD2 LYS A 48 53.321 -68.717 3.277 1.00 16.32 H new ATOM 0 HD3 LYS A 48 52.157 -67.806 4.218 1.00 16.32 H new ATOM 0 HE2 LYS A 48 51.033 -70.036 4.823 1.00 20.04 H new ATOM 0 HE3 LYS A 48 52.377 -70.853 4.049 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 52.763 -70.590 6.425 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 53.909 -69.695 5.547 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 52.607 -68.904 6.298 1.00 23.92 H new ATOM 777 N GLN A 49 51.969 -70.486 -1.807 1.00 8.89 N ATOM 778 CA GLN A 49 52.485 -71.455 -2.772 1.00 7.18 C ATOM 779 C GLN A 49 53.764 -72.058 -2.194 1.00 8.23 C ATOM 780 O GLN A 49 54.657 -71.330 -1.760 1.00 9.70 O ATOM 781 CB GLN A 49 52.751 -70.757 -4.109 1.00 11.67 C ATOM 782 CG GLN A 49 52.861 -71.796 -5.228 1.00 15.82 C ATOM 783 CD GLN A 49 53.126 -71.104 -6.561 1.00 20.21 C ATOM 784 OE1 GLN A 49 54.229 -71.194 -7.100 1.00 23.23 O ATOM 785 NE2 GLN A 49 52.173 -70.419 -7.131 1.00 20.67 N ATOM 0 H GLN A 49 52.176 -69.512 -2.028 1.00 8.89 H new ATOM 0 HA GLN A 49 51.762 -72.250 -2.954 1.00 7.18 H new ATOM 0 HB2 GLN A 49 51.946 -70.056 -4.330 1.00 11.67 H new ATOM 0 HB3 GLN A 49 53.671 -70.176 -4.049 1.00 11.67 H new ATOM 0 HG2 GLN A 49 53.666 -72.497 -5.007 1.00 15.82 H new ATOM 0 HG3 GLN A 49 51.941 -72.377 -5.287 1.00 15.82 H new ATOM 0 HE21 GLN A 49 51.260 -70.346 -6.683 1.00 20.67 H new ATOM 0 HE22 GLN A 49 52.341 -69.957 -8.025 1.00 20.67 H new ATOM 794 N LEU A 50 53.845 -73.387 -2.176 1.00 6.51 N ATOM 795 CA LEU A 50 55.020 -74.068 -1.629 1.00 7.41 C ATOM 796 C LEU A 50 56.112 -74.241 -2.690 1.00 8.27 C ATOM 797 O LEU A 50 55.828 -74.586 -3.837 1.00 8.34 O ATOM 798 CB LEU A 50 54.611 -75.440 -1.087 1.00 7.13 C ATOM 799 CG LEU A 50 53.422 -75.287 -0.133 1.00 7.53 C ATOM 800 CD1 LEU A 50 52.960 -76.672 0.335 1.00 8.14 C ATOM 801 CD2 LEU A 50 53.828 -74.438 1.081 1.00 9.11 C ATOM 0 H LEU A 50 53.119 -74.010 -2.530 1.00 6.51 H new ATOM 0 HA LEU A 50 55.424 -73.453 -0.824 1.00 7.41 H new ATOM 0 HB2 LEU A 50 54.345 -76.102 -1.911 1.00 7.13 H new ATOM 0 HB3 LEU A 50 55.450 -75.900 -0.566 1.00 7.13 H new ATOM 0 HG LEU A 50 52.605 -74.789 -0.656 1.00 7.53 H new ATOM 0 HD11 LEU A 50 52.114 -76.563 1.014 1.00 8.14 H new ATOM 0 HD12 LEU A 50 52.659 -77.266 -0.528 1.00 8.14 H new ATOM 0 HD13 LEU A 50 53.778 -77.173 0.852 1.00 8.14 H new ATOM 0 HD21 LEU A 50 52.977 -74.334 1.754 1.00 9.11 H new ATOM 0 HD22 LEU A 50 54.649 -74.925 1.607 1.00 9.11 H new ATOM 0 HD23 LEU A 50 54.147 -73.451 0.745 1.00 9.11 H new ATOM 813 N GLU A 51 57.367 -73.980 -2.296 1.00 9.43 N ATOM 814 CA GLU A 51 58.498 -74.093 -3.231 1.00 11.90 C ATOM 815 C GLU A 51 59.129 -75.487 -3.204 1.00 11.49 C ATOM 816 O GLU A 51 59.082 -76.185 -2.193 1.00 9.88 O ATOM 817 CB GLU A 51 59.556 -73.033 -2.919 1.00 16.56 C ATOM 818 CG GLU A 51 59.016 -71.650 -3.290 1.00 26.06 C ATOM 819 CD GLU A 51 59.982 -70.566 -2.823 1.00 29.86 C ATOM 820 OE1 GLU A 51 61.078 -70.912 -2.414 1.00 32.13 O ATOM 821 OE2 GLU A 51 59.612 -69.405 -2.882 1.00 33.44 O ATOM 0 H GLU A 51 57.623 -73.693 -1.351 1.00 9.43 H new ATOM 0 HA GLU A 51 58.105 -73.928 -4.234 1.00 11.90 H new ATOM 0 HB2 GLU A 51 59.815 -73.062 -1.861 1.00 16.56 H new ATOM 0 HB3 GLU A 51 60.470 -73.240 -3.476 1.00 16.56 H new ATOM 0 HG2 GLU A 51 58.877 -71.583 -4.369 1.00 26.06 H new ATOM 0 HG3 GLU A 51 58.038 -71.498 -2.832 1.00 26.06 H new ATOM 828 N ASP A 52 59.679 -75.887 -4.356 1.00 12.71 N ATOM 829 CA ASP A 52 60.277 -77.217 -4.505 1.00 16.56 C ATOM 830 C ASP A 52 61.560 -77.411 -3.680 1.00 15.83 C ATOM 831 O ASP A 52 61.958 -78.548 -3.427 1.00 17.21 O ATOM 832 CB ASP A 52 60.559 -77.484 -5.983 1.00 21.05 C ATOM 833 CG ASP A 52 59.242 -77.628 -6.733 1.00 25.12 C ATOM 834 OD1 ASP A 52 58.224 -77.277 -6.163 1.00 28.37 O ATOM 835 OD2 ASP A 52 59.271 -78.087 -7.863 1.00 25.82 O ATOM 0 H ASP A 52 59.722 -75.310 -5.196 1.00 12.71 H new ATOM 0 HA ASP A 52 59.554 -77.934 -4.116 1.00 16.56 H new ATOM 0 HB2 ASP A 52 61.143 -76.667 -6.406 1.00 21.05 H new ATOM 0 HB3 ASP A 52 61.153 -78.391 -6.093 1.00 21.05 H new ATOM 840 N GLY A 53 62.216 -76.329 -3.272 1.00 15.00 N ATOM 841 CA GLY A 53 63.461 -76.445 -2.489 1.00 11.77 C ATOM 842 C GLY A 53 63.224 -76.377 -0.972 1.00 11.10 C ATOM 843 O GLY A 53 64.182 -76.362 -0.198 1.00 11.25 O ATOM 0 H GLY A 53 61.920 -75.372 -3.462 1.00 15.00 H new ATOM 0 HA2 GLY A 53 63.951 -77.388 -2.733 1.00 11.77 H new ATOM 0 HA3 GLY A 53 64.143 -75.647 -2.781 1.00 11.77 H new ATOM 847 N ARG A 54 61.966 -76.337 -0.549 1.00 8.53 N ATOM 848 CA ARG A 54 61.643 -76.270 0.893 1.00 9.05 C ATOM 849 C ARG A 54 60.997 -77.578 1.387 1.00 8.96 C ATOM 850 O ARG A 54 60.556 -78.397 0.581 1.00 11.60 O ATOM 851 CB ARG A 54 60.669 -75.120 1.115 1.00 7.97 C ATOM 852 CG ARG A 54 61.307 -73.783 0.712 1.00 9.62 C ATOM 853 CD ARG A 54 62.146 -73.194 1.848 1.00 12.20 C ATOM 854 NE ARG A 54 61.280 -72.747 2.935 1.00 18.23 N ATOM 855 CZ ARG A 54 60.716 -71.541 2.914 1.00 22.08 C ATOM 856 NH1 ARG A 54 61.448 -70.483 2.694 1.00 25.50 N ATOM 857 NH2 ARG A 54 59.432 -71.415 3.115 1.00 23.38 N ATOM 0 H ARG A 54 61.154 -76.349 -1.166 1.00 8.53 H new ATOM 0 HA ARG A 54 62.566 -76.117 1.451 1.00 9.05 H new ATOM 0 HB2 ARG A 54 59.763 -75.287 0.532 1.00 7.97 H new ATOM 0 HB3 ARG A 54 60.372 -75.086 2.163 1.00 7.97 H new ATOM 0 HG2 ARG A 54 61.935 -73.929 -0.167 1.00 9.62 H new ATOM 0 HG3 ARG A 54 60.526 -73.076 0.432 1.00 9.62 H new ATOM 0 HD2 ARG A 54 62.848 -73.942 2.217 1.00 12.20 H new ATOM 0 HD3 ARG A 54 62.737 -72.357 1.477 1.00 12.20 H new ATOM 0 HE ARG A 54 61.104 -73.369 3.724 1.00 18.23 H new ATOM 0 HH11 ARG A 54 62.451 -70.580 2.538 1.00 25.50 H new ATOM 0 HH12 ARG A 54 61.017 -69.559 2.678 1.00 25.50 H new ATOM 0 HH21 ARG A 54 58.859 -72.241 3.288 1.00 23.38 H new ATOM 0 HH22 ARG A 54 59.002 -70.490 3.099 1.00 23.38 H new ATOM 871 N THR A 55 60.940 -77.767 2.726 1.00 9.05 N ATOM 872 CA THR A 55 60.329 -78.976 3.320 1.00 9.03 C ATOM 873 C THR A 55 58.985 -78.668 3.984 1.00 8.15 C ATOM 874 O THR A 55 58.636 -77.513 4.223 1.00 5.91 O ATOM 875 CB THR A 55 61.213 -79.600 4.408 1.00 11.15 C ATOM 876 OG1 THR A 55 61.385 -78.678 5.475 1.00 11.95 O ATOM 877 CG2 THR A 55 62.580 -79.985 3.831 1.00 11.71 C ATOM 0 H THR A 55 61.306 -77.104 3.409 1.00 9.05 H new ATOM 0 HA THR A 55 60.204 -79.665 2.485 1.00 9.03 H new ATOM 0 HB THR A 55 60.725 -80.500 4.782 1.00 11.15 H new ATOM 0 HG1 THR A 55 61.949 -79.081 6.168 1.00 11.95 H new ATOM 0 HG21 THR A 55 63.195 -80.426 4.615 1.00 11.71 H new ATOM 0 HG22 THR A 55 62.445 -80.708 3.026 1.00 11.71 H new ATOM 0 HG23 THR A 55 63.074 -79.095 3.440 1.00 11.71 H new ATOM 885 N LEU A 56 58.256 -79.744 4.304 1.00 6.91 N ATOM 886 CA LEU A 56 56.955 -79.620 4.975 1.00 8.29 C ATOM 887 C LEU A 56 57.102 -78.915 6.324 1.00 8.05 C ATOM 888 O LEU A 56 56.267 -78.082 6.678 1.00 10.17 O ATOM 889 CB LEU A 56 56.332 -81.003 5.224 1.00 6.60 C ATOM 890 CG LEU A 56 56.069 -81.737 3.904 1.00 7.73 C ATOM 891 CD1 LEU A 56 55.610 -83.165 4.218 1.00 9.85 C ATOM 892 CD2 LEU A 56 54.971 -81.021 3.106 1.00 8.64 C ATOM 0 H LEU A 56 58.542 -80.704 4.111 1.00 6.91 H new ATOM 0 HA LEU A 56 56.311 -79.035 4.318 1.00 8.29 H new ATOM 0 HB2 LEU A 56 56.999 -81.598 5.848 1.00 6.60 H new ATOM 0 HB3 LEU A 56 55.397 -80.890 5.773 1.00 6.60 H new ATOM 0 HG LEU A 56 56.984 -81.752 3.312 1.00 7.73 H new ATOM 0 HD11 LEU A 56 55.419 -83.699 3.287 1.00 9.85 H new ATOM 0 HD12 LEU A 56 56.388 -83.682 4.780 1.00 9.85 H new ATOM 0 HD13 LEU A 56 54.696 -83.131 4.811 1.00 9.85 H new ATOM 0 HD21 LEU A 56 54.795 -81.553 2.171 1.00 8.64 H new ATOM 0 HD22 LEU A 56 54.051 -81.000 3.691 1.00 8.64 H new ATOM 0 HD23 LEU A 56 55.286 -80.000 2.889 1.00 8.64 H new ATOM 904 N SER A 57 58.143 -79.254 7.094 1.00 8.92 N ATOM 905 CA SER A 57 58.315 -78.629 8.406 1.00 9.00 C ATOM 906 C SER A 57 58.484 -77.115 8.300 1.00 9.44 C ATOM 907 O SER A 57 58.080 -76.379 9.200 1.00 10.91 O ATOM 908 CB SER A 57 59.492 -79.229 9.178 1.00 10.32 C ATOM 909 OG SER A 57 59.239 -80.595 9.454 1.00 13.59 O ATOM 0 H SER A 57 58.858 -79.936 6.840 1.00 8.92 H new ATOM 0 HA SER A 57 57.399 -78.836 8.960 1.00 9.00 H new ATOM 0 HB2 SER A 57 60.409 -79.130 8.596 1.00 10.32 H new ATOM 0 HB3 SER A 57 59.644 -78.683 10.109 1.00 10.32 H new ATOM 0 HG SER A 57 59.686 -80.848 10.288 1.00 13.59 H new ATOM 915 N ASP A 58 59.081 -76.655 7.218 1.00 9.11 N ATOM 916 CA ASP A 58 59.294 -75.222 7.038 1.00 7.91 C ATOM 917 C ASP A 58 57.961 -74.474 7.002 1.00 9.12 C ATOM 918 O ASP A 58 57.891 -73.303 7.375 1.00 8.61 O ATOM 919 CB ASP A 58 60.065 -74.970 5.740 1.00 8.41 C ATOM 920 CG ASP A 58 61.504 -75.455 5.886 1.00 11.50 C ATOM 921 OD1 ASP A 58 61.948 -75.598 7.013 1.00 10.05 O ATOM 922 OD2 ASP A 58 62.139 -75.677 4.869 1.00 11.70 O ATOM 0 H ASP A 58 59.425 -77.239 6.456 1.00 9.11 H new ATOM 0 HA ASP A 58 59.875 -74.852 7.883 1.00 7.91 H new ATOM 0 HB2 ASP A 58 59.580 -75.488 4.913 1.00 8.41 H new ATOM 0 HB3 ASP A 58 60.053 -73.907 5.501 1.00 8.41 H new ATOM 927 N TYR A 59 56.902 -75.154 6.551 1.00 7.97 N ATOM 928 CA TYR A 59 55.571 -74.537 6.471 1.00 8.45 C ATOM 929 C TYR A 59 54.684 -74.937 7.651 1.00 10.98 C ATOM 930 O TYR A 59 53.468 -74.748 7.612 1.00 12.95 O ATOM 931 CB TYR A 59 54.863 -74.940 5.178 1.00 7.94 C ATOM 932 CG TYR A 59 55.543 -74.279 4.012 1.00 6.91 C ATOM 933 CD1 TYR A 59 55.126 -73.012 3.585 1.00 6.98 C ATOM 934 CD2 TYR A 59 56.591 -74.928 3.361 1.00 4.59 C ATOM 935 CE1 TYR A 59 55.762 -72.396 2.502 1.00 6.52 C ATOM 936 CE2 TYR A 59 57.226 -74.314 2.282 1.00 5.39 C ATOM 937 CZ TYR A 59 56.814 -73.047 1.850 1.00 6.76 C ATOM 938 OH TYR A 59 57.444 -72.442 0.781 1.00 7.63 O ATOM 0 H TYR A 59 56.938 -76.124 6.238 1.00 7.97 H new ATOM 0 HA TYR A 59 55.728 -73.459 6.494 1.00 8.45 H new ATOM 0 HB2 TYR A 59 54.885 -76.023 5.060 1.00 7.94 H new ATOM 0 HB3 TYR A 59 53.814 -74.645 5.217 1.00 7.94 H new ATOM 0 HD1 TYR A 59 54.314 -72.511 4.091 1.00 6.98 H new ATOM 0 HD2 TYR A 59 56.911 -75.905 3.692 1.00 4.59 H new ATOM 0 HE1 TYR A 59 55.441 -71.420 2.170 1.00 6.52 H new ATOM 0 HE2 TYR A 59 58.038 -74.817 1.778 1.00 5.39 H new ATOM 0 HH TYR A 59 58.289 -72.903 0.596 1.00 7.63 H new ATOM 948 N ASN A 60 55.297 -75.490 8.701 1.00 12.38 N ATOM 949 CA ASN A 60 54.581 -75.922 9.898 1.00 13.94 C ATOM 950 C ASN A 60 53.378 -76.798 9.558 1.00 14.16 C ATOM 951 O ASN A 60 52.330 -76.698 10.196 1.00 14.26 O ATOM 952 CB ASN A 60 54.122 -74.716 10.721 1.00 19.23 C ATOM 953 CG ASN A 60 55.327 -73.908 11.193 1.00 22.65 C ATOM 954 OD1 ASN A 60 55.416 -72.710 10.925 1.00 25.45 O ATOM 955 ND2 ASN A 60 56.260 -74.494 11.894 1.00 24.09 N ATOM 0 H ASN A 60 56.304 -75.650 8.742 1.00 12.38 H new ATOM 0 HA ASN A 60 55.279 -76.517 10.487 1.00 13.94 H new ATOM 0 HB2 ASN A 60 53.466 -74.086 10.121 1.00 19.23 H new ATOM 0 HB3 ASN A 60 53.542 -75.053 11.580 1.00 19.23 H new ATOM 0 HD21 ASN A 60 57.065 -73.959 12.221 1.00 24.09 H new ATOM 0 HD22 ASN A 60 56.184 -75.487 12.115 1.00 24.09 H new ATOM 962 N ILE A 61 53.541 -77.677 8.574 1.00 11.08 N ATOM 963 CA ILE A 61 52.461 -78.585 8.195 1.00 11.78 C ATOM 964 C ILE A 61 52.468 -79.764 9.168 1.00 13.74 C ATOM 965 O ILE A 61 53.490 -80.427 9.346 1.00 14.60 O ATOM 966 CB ILE A 61 52.651 -79.020 6.735 1.00 11.80 C ATOM 967 CG1 ILE A 61 52.508 -77.784 5.845 1.00 11.56 C ATOM 968 CG2 ILE A 61 51.588 -80.046 6.341 1.00 13.29 C ATOM 969 CD1 ILE A 61 52.902 -78.114 4.402 1.00 11.42 C ATOM 0 H ILE A 61 54.398 -77.781 8.030 1.00 11.08 H new ATOM 0 HA ILE A 61 51.487 -78.099 8.257 1.00 11.78 H new ATOM 0 HB ILE A 61 53.635 -79.473 6.615 1.00 11.80 H new ATOM 0 HG12 ILE A 61 51.479 -77.424 5.874 1.00 11.56 H new ATOM 0 HG13 ILE A 61 53.138 -76.980 6.225 1.00 11.56 H new ATOM 0 HG21 ILE A 61 51.737 -80.344 5.303 1.00 13.29 H new ATOM 0 HG22 ILE A 61 51.671 -80.921 6.985 1.00 13.29 H new ATOM 0 HG23 ILE A 61 50.597 -79.605 6.453 1.00 13.29 H new ATOM 0 HD11 ILE A 61 52.794 -77.224 3.783 1.00 11.42 H new ATOM 0 HD12 ILE A 61 53.938 -78.451 4.376 1.00 11.42 H new ATOM 0 HD13 ILE A 61 52.254 -78.903 4.019 1.00 11.42 H new ATOM 981 N GLN A 62 51.328 -79.987 9.838 1.00 13.97 N ATOM 982 CA GLN A 62 51.198 -81.046 10.848 1.00 15.52 C ATOM 983 C GLN A 62 50.323 -82.205 10.363 1.00 13.94 C ATOM 984 O GLN A 62 49.685 -82.128 9.313 1.00 12.15 O ATOM 985 CB GLN A 62 50.582 -80.434 12.107 1.00 19.53 C ATOM 986 CG GLN A 62 51.553 -79.420 12.719 1.00 26.38 C ATOM 987 CD GLN A 62 52.799 -80.133 13.236 1.00 30.61 C ATOM 988 OE1 GLN A 62 52.702 -81.224 13.797 1.00 33.23 O ATOM 989 NE2 GLN A 62 53.971 -79.578 13.083 1.00 32.71 N ATOM 0 H GLN A 62 50.477 -79.443 9.696 1.00 13.97 H new ATOM 0 HA GLN A 62 52.189 -81.453 11.050 1.00 15.52 H new ATOM 0 HB2 GLN A 62 49.639 -79.946 11.861 1.00 19.53 H new ATOM 0 HB3 GLN A 62 50.356 -81.218 12.830 1.00 19.53 H new ATOM 0 HG2 GLN A 62 51.833 -78.677 11.972 1.00 26.38 H new ATOM 0 HG3 GLN A 62 51.066 -78.885 13.534 1.00 26.38 H new ATOM 0 HE21 GLN A 62 54.050 -78.674 12.618 1.00 32.71 H new ATOM 0 HE22 GLN A 62 54.807 -80.049 13.429 1.00 32.71 H new ATOM 998 N LYS A 63 50.335 -83.289 11.142 1.00 11.73 N ATOM 999 CA LYS A 63 49.561 -84.469 10.759 1.00 11.97 C ATOM 1000 C LYS A 63 48.110 -84.108 10.449 1.00 10.41 C ATOM 1001 O LYS A 63 47.512 -83.248 11.097 1.00 9.59 O ATOM 1002 CB LYS A 63 49.569 -85.561 11.833 1.00 13.73 C ATOM 1003 CG LYS A 63 49.007 -85.002 13.142 1.00 16.98 C ATOM 1004 CD LYS A 63 49.044 -86.092 14.215 1.00 20.19 C ATOM 1005 CE LYS A 63 48.318 -85.601 15.469 1.00 23.42 C ATOM 1006 NZ LYS A 63 48.257 -86.702 16.471 1.00 25.97 N ATOM 0 H LYS A 63 50.855 -83.374 12.015 1.00 11.73 H new ATOM 0 HA LYS A 63 50.050 -84.857 9.865 1.00 11.97 H new ATOM 0 HB2 LYS A 63 48.973 -86.412 11.504 1.00 13.73 H new ATOM 0 HB3 LYS A 63 50.585 -85.924 11.988 1.00 13.73 H new ATOM 0 HG2 LYS A 63 49.591 -84.140 13.463 1.00 16.98 H new ATOM 0 HG3 LYS A 63 47.984 -84.656 12.994 1.00 16.98 H new ATOM 0 HD2 LYS A 63 48.572 -87.001 13.841 1.00 20.19 H new ATOM 0 HD3 LYS A 63 50.077 -86.345 14.456 1.00 20.19 H new ATOM 0 HE2 LYS A 63 48.838 -84.740 15.890 1.00 23.42 H new ATOM 0 HE3 LYS A 63 47.311 -85.271 15.214 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 47.764 -86.369 17.324 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 47.743 -87.511 16.067 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 49.222 -86.996 16.723 1.00 25.97 H new ATOM 1020 N GLU A 64 47.571 -84.771 9.430 1.00 10.04 N ATOM 1021 CA GLU A 64 46.201 -84.548 8.972 1.00 10.94 C ATOM 1022 C GLU A 64 46.003 -83.164 8.367 1.00 9.74 C ATOM 1023 O GLU A 64 44.870 -82.695 8.254 1.00 9.42 O ATOM 1024 CB GLU A 64 45.135 -84.760 10.049 1.00 18.31 C ATOM 1025 CG GLU A 64 45.155 -86.219 10.508 1.00 24.16 C ATOM 1026 CD GLU A 64 43.900 -86.518 11.321 1.00 29.00 C ATOM 1027 OE1 GLU A 64 43.870 -86.151 12.485 1.00 31.72 O ATOM 1028 OE2 GLU A 64 42.987 -87.110 10.769 1.00 32.61 O ATOM 0 H GLU A 64 48.073 -85.481 8.896 1.00 10.04 H new ATOM 0 HA GLU A 64 46.064 -85.311 8.206 1.00 10.94 H new ATOM 0 HB2 GLU A 64 45.322 -84.099 10.895 1.00 18.31 H new ATOM 0 HB3 GLU A 64 44.151 -84.505 9.656 1.00 18.31 H new ATOM 0 HG2 GLU A 64 45.207 -86.882 9.644 1.00 24.16 H new ATOM 0 HG3 GLU A 64 46.044 -86.409 11.110 1.00 24.16 H new ATOM 1035 N SER A 65 47.076 -82.540 7.907 1.00 6.85 N ATOM 1036 CA SER A 65 46.973 -81.253 7.236 1.00 6.90 C ATOM 1037 C SER A 65 46.476 -81.501 5.820 1.00 4.72 C ATOM 1038 O SER A 65 46.761 -82.543 5.227 1.00 3.91 O ATOM 1039 CB SER A 65 48.331 -80.561 7.207 1.00 7.28 C ATOM 1040 OG SER A 65 48.660 -80.104 8.513 1.00 10.56 O ATOM 0 H SER A 65 48.026 -82.902 7.985 1.00 6.85 H new ATOM 0 HA SER A 65 46.279 -80.604 7.770 1.00 6.90 H new ATOM 0 HB2 SER A 65 49.095 -81.251 6.849 1.00 7.28 H new ATOM 0 HB3 SER A 65 48.308 -79.722 6.512 1.00 7.28 H new ATOM 0 HG SER A 65 48.737 -80.871 9.118 1.00 10.56 H new ATOM 1046 N THR A 66 45.736 -80.533 5.271 1.00 4.48 N ATOM 1047 CA THR A 66 45.206 -80.643 3.914 1.00 3.80 C ATOM 1048 C THR A 66 45.919 -79.657 2.992 1.00 4.60 C ATOM 1049 O THR A 66 45.946 -78.453 3.243 1.00 5.33 O ATOM 1050 CB THR A 66 43.703 -80.348 3.902 1.00 2.85 C ATOM 1051 OG1 THR A 66 43.031 -81.282 4.734 1.00 2.15 O ATOM 1052 CG2 THR A 66 43.165 -80.450 2.473 1.00 3.40 C ATOM 0 H THR A 66 45.492 -79.665 5.748 1.00 4.48 H new ATOM 0 HA THR A 66 45.375 -81.660 3.561 1.00 3.80 H new ATOM 0 HB THR A 66 43.531 -79.339 4.276 1.00 2.85 H new ATOM 0 HG1 THR A 66 42.069 -81.093 4.728 1.00 2.15 H new ATOM 0 HG21 THR A 66 42.096 -80.239 2.471 1.00 3.40 H new ATOM 0 HG22 THR A 66 43.678 -79.728 1.838 1.00 3.40 H new ATOM 0 HG23 THR A 66 43.337 -81.456 2.090 1.00 3.40 H new ATOM 1060 N LEU A 67 46.458 -80.191 1.900 1.00 4.17 N ATOM 1061 CA LEU A 67 47.143 -79.398 0.883 1.00 3.85 C ATOM 1062 C LEU A 67 46.198 -79.262 -0.302 1.00 3.80 C ATOM 1063 O LEU A 67 45.308 -80.088 -0.502 1.00 5.54 O ATOM 1064 CB LEU A 67 48.435 -80.123 0.447 1.00 7.18 C ATOM 1065 CG LEU A 67 49.631 -79.633 1.260 1.00 9.67 C ATOM 1066 CD1 LEU A 67 49.419 -79.919 2.747 1.00 8.12 C ATOM 1067 CD2 LEU A 67 50.899 -80.340 0.775 1.00 11.66 C ATOM 0 H LEU A 67 46.432 -81.190 1.694 1.00 4.17 H new ATOM 0 HA LEU A 67 47.413 -78.416 1.271 1.00 3.85 H new ATOM 0 HB2 LEU A 67 48.316 -81.199 0.578 1.00 7.18 H new ATOM 0 HB3 LEU A 67 48.615 -79.949 -0.614 1.00 7.18 H new ATOM 0 HG LEU A 67 49.735 -78.557 1.123 1.00 9.67 H new ATOM 0 HD11 LEU A 67 50.281 -79.564 3.312 1.00 8.12 H new ATOM 0 HD12 LEU A 67 48.522 -79.405 3.092 1.00 8.12 H new ATOM 0 HD13 LEU A 67 49.304 -80.992 2.898 1.00 8.12 H new ATOM 0 HD21 LEU A 67 51.754 -79.991 1.354 1.00 11.66 H new ATOM 0 HD22 LEU A 67 50.787 -81.417 0.904 1.00 11.66 H new ATOM 0 HD23 LEU A 67 51.060 -80.116 -0.280 1.00 11.66 H new ATOM 1079 N HIS A 68 46.408 -78.214 -1.101 1.00 2.94 N ATOM 1080 CA HIS A 68 45.595 -77.965 -2.287 1.00 4.17 C ATOM 1081 C HIS A 68 46.481 -78.084 -3.519 1.00 5.32 C ATOM 1082 O HIS A 68 47.560 -77.496 -3.571 1.00 7.70 O ATOM 1083 CB HIS A 68 44.999 -76.557 -2.231 1.00 5.57 C ATOM 1084 CG HIS A 68 44.021 -76.454 -1.098 1.00 9.95 C ATOM 1085 ND1 HIS A 68 44.403 -76.010 0.156 1.00 13.74 N ATOM 1086 CD2 HIS A 68 42.678 -76.722 -1.010 1.00 12.79 C ATOM 1087 CE1 HIS A 68 43.313 -76.021 0.939 1.00 14.75 C ATOM 1088 NE2 HIS A 68 42.232 -76.447 0.280 1.00 16.30 N ATOM 0 H HIS A 68 47.140 -77.521 -0.944 1.00 2.94 H new ATOM 0 HA HIS A 68 44.784 -78.692 -2.330 1.00 4.17 H new ATOM 0 HB2 HIS A 68 45.794 -75.822 -2.103 1.00 5.57 H new ATOM 0 HB3 HIS A 68 44.501 -76.327 -3.173 1.00 5.57 H new ATOM 0 HD2 HIS A 68 42.062 -77.090 -1.817 1.00 12.79 H new ATOM 0 HE1 HIS A 68 43.310 -75.722 1.977 1.00 14.75 H new ATOM 0 HE2 HIS A 68 41.284 -76.549 0.643 1.00 16.30 H new ATOM 1096 N LEU A 69 46.026 -78.842 -4.513 1.00 5.29 N ATOM 1097 CA LEU A 69 46.794 -79.025 -5.746 1.00 3.97 C ATOM 1098 C LEU A 69 46.149 -78.230 -6.872 1.00 5.07 C ATOM 1099 O LEU A 69 44.937 -78.297 -7.076 1.00 4.34 O ATOM 1100 CB LEU A 69 46.832 -80.514 -6.128 1.00 6.08 C ATOM 1101 CG LEU A 69 47.480 -80.730 -7.500 1.00 7.37 C ATOM 1102 CD1 LEU A 69 48.902 -80.169 -7.513 1.00 6.87 C ATOM 1103 CD2 LEU A 69 47.527 -82.232 -7.792 1.00 9.96 C ATOM 0 H LEU A 69 45.135 -79.338 -4.492 1.00 5.29 H new ATOM 0 HA LEU A 69 47.812 -78.671 -5.585 1.00 3.97 H new ATOM 0 HB2 LEU A 69 47.387 -81.070 -5.372 1.00 6.08 H new ATOM 0 HB3 LEU A 69 45.818 -80.913 -6.137 1.00 6.08 H new ATOM 0 HG LEU A 69 46.893 -80.214 -8.259 1.00 7.37 H new ATOM 0 HD11 LEU A 69 49.348 -80.331 -8.494 1.00 6.87 H new ATOM 0 HD12 LEU A 69 48.874 -79.101 -7.299 1.00 6.87 H new ATOM 0 HD13 LEU A 69 49.500 -80.675 -6.755 1.00 6.87 H new ATOM 0 HD21 LEU A 69 47.986 -82.399 -8.766 1.00 9.96 H new ATOM 0 HD22 LEU A 69 48.114 -82.734 -7.023 1.00 9.96 H new ATOM 0 HD23 LEU A 69 46.514 -82.634 -7.795 1.00 9.96 H new ATOM 1115 N VAL A 70 46.978 -77.485 -7.626 1.00 4.29 N ATOM 1116 CA VAL A 70 46.545 -76.677 -8.762 1.00 6.26 C ATOM 1117 C VAL A 70 47.274 -77.184 -9.998 1.00 9.22 C ATOM 1118 O VAL A 70 48.490 -77.364 -10.000 1.00 9.36 O ATOM 1119 CB VAL A 70 46.874 -75.208 -8.477 1.00 8.69 C ATOM 1120 CG1 VAL A 70 47.044 -74.404 -9.772 1.00 9.76 C ATOM 1121 CG2 VAL A 70 45.767 -74.579 -7.642 1.00 8.54 C ATOM 0 H VAL A 70 47.982 -77.432 -7.454 1.00 4.29 H new ATOM 0 HA VAL A 70 45.470 -76.755 -8.927 1.00 6.26 H new ATOM 0 HB VAL A 70 47.817 -75.184 -7.930 1.00 8.69 H new ATOM 0 HG11 VAL A 70 47.276 -73.367 -9.529 1.00 9.76 H new ATOM 0 HG12 VAL A 70 47.857 -74.830 -10.360 1.00 9.76 H new ATOM 0 HG13 VAL A 70 46.120 -74.443 -10.348 1.00 9.76 H new ATOM 0 HG21 VAL A 70 46.009 -73.535 -7.444 1.00 8.54 H new ATOM 0 HG22 VAL A 70 44.824 -74.636 -8.186 1.00 8.54 H new ATOM 0 HG23 VAL A 70 45.674 -75.115 -6.698 1.00 8.54 H new ATOM 1131 N LEU A 71 46.495 -77.429 -11.032 1.00 12.71 N ATOM 1132 CA LEU A 71 47.012 -77.944 -12.301 1.00 16.06 C ATOM 1133 C LEU A 71 47.153 -76.823 -13.329 1.00 18.09 C ATOM 1134 O LEU A 71 46.218 -76.056 -13.557 1.00 19.26 O ATOM 1135 CB LEU A 71 46.056 -79.010 -12.847 1.00 17.10 C ATOM 1136 CG LEU A 71 45.909 -80.158 -11.835 1.00 19.37 C ATOM 1137 CD1 LEU A 71 44.921 -81.190 -12.387 1.00 17.51 C ATOM 1138 CD2 LEU A 71 47.271 -80.831 -11.584 1.00 19.57 C ATOM 0 H LEU A 71 45.486 -77.280 -11.025 1.00 12.71 H new ATOM 0 HA LEU A 71 47.996 -78.378 -12.120 1.00 16.06 H new ATOM 0 HB2 LEU A 71 45.081 -78.566 -13.049 1.00 17.10 H new ATOM 0 HB3 LEU A 71 46.433 -79.396 -13.794 1.00 17.10 H new ATOM 0 HG LEU A 71 45.539 -79.756 -10.891 1.00 19.37 H new ATOM 0 HD11 LEU A 71 44.812 -82.007 -11.674 1.00 17.51 H new ATOM 0 HD12 LEU A 71 43.952 -80.717 -12.547 1.00 17.51 H new ATOM 0 HD13 LEU A 71 45.295 -81.582 -13.333 1.00 17.51 H new ATOM 0 HD21 LEU A 71 47.149 -81.641 -10.865 1.00 19.57 H new ATOM 0 HD22 LEU A 71 47.657 -81.232 -12.521 1.00 19.57 H new ATOM 0 HD23 LEU A 71 47.972 -80.097 -11.188 1.00 19.57 H new ATOM 1150 N ARG A 72 48.328 -76.744 -13.956 1.00 21.47 N ATOM 1151 CA ARG A 72 48.595 -75.726 -14.977 1.00 25.83 C ATOM 1152 C ARG A 72 48.659 -76.392 -16.355 1.00 27.74 C ATOM 1153 O ARG A 72 49.342 -77.401 -16.527 1.00 30.65 O ATOM 1154 CB ARG A 72 49.923 -75.027 -14.670 1.00 28.49 C ATOM 1155 CG ARG A 72 50.172 -73.921 -15.696 1.00 31.79 C ATOM 1156 CD ARG A 72 51.496 -73.227 -15.387 1.00 34.05 C ATOM 1157 NE ARG A 72 51.743 -72.166 -16.362 1.00 35.08 N ATOM 1158 CZ ARG A 72 52.412 -71.063 -16.036 1.00 34.67 C ATOM 1159 NH1 ARG A 72 53.283 -71.092 -15.065 1.00 34.97 N ATOM 1160 NH2 ARG A 72 52.194 -69.952 -16.686 1.00 35.02 N ATOM 0 H ARG A 72 49.111 -77.372 -13.776 1.00 21.47 H new ATOM 0 HA ARG A 72 47.795 -74.986 -14.974 1.00 25.83 H new ATOM 0 HB2 ARG A 72 49.899 -74.606 -13.665 1.00 28.49 H new ATOM 0 HB3 ARG A 72 50.739 -75.749 -14.694 1.00 28.49 H new ATOM 0 HG2 ARG A 72 50.196 -74.342 -16.701 1.00 31.79 H new ATOM 0 HG3 ARG A 72 49.356 -73.198 -15.672 1.00 31.79 H new ATOM 0 HD2 ARG A 72 51.471 -72.809 -14.381 1.00 34.05 H new ATOM 0 HD3 ARG A 72 52.310 -73.951 -15.411 1.00 34.05 H new ATOM 0 HE ARG A 72 51.394 -72.274 -17.314 1.00 35.08 H new ATOM 0 HH11 ARG A 72 53.451 -71.960 -14.556 1.00 34.97 H new ATOM 0 HH12 ARG A 72 53.796 -70.247 -14.815 1.00 34.97 H new ATOM 0 HH21 ARG A 72 51.511 -69.930 -17.443 1.00 35.02 H new ATOM 0 HH22 ARG A 72 52.707 -69.106 -16.436 1.00 35.02 H new ATOM 1174 N LEU A 73 47.925 -75.843 -17.330 0.45 28.93 N ATOM 1175 CA LEU A 73 47.892 -76.422 -18.683 0.45 30.76 C ATOM 1176 C LEU A 73 48.790 -75.659 -19.654 0.45 32.18 C ATOM 1177 O LEU A 73 48.494 -75.574 -20.846 0.45 32.31 O ATOM 1178 CB LEU A 73 46.456 -76.420 -19.224 0.45 30.53 C ATOM 1179 CG LEU A 73 45.600 -77.462 -18.482 0.45 30.16 C ATOM 1180 CD1 LEU A 73 45.226 -76.951 -17.083 0.45 29.57 C ATOM 1181 CD2 LEU A 73 44.321 -77.722 -19.284 0.45 29.11 C ATOM 0 H LEU A 73 47.351 -75.008 -17.212 0.45 28.93 H new ATOM 0 HA LEU A 73 48.264 -77.444 -18.604 0.45 30.76 H new ATOM 0 HB2 LEU A 73 46.018 -75.429 -19.105 0.45 30.53 H new ATOM 0 HB3 LEU A 73 46.463 -76.640 -20.292 0.45 30.53 H new ATOM 0 HG LEU A 73 46.173 -78.383 -18.378 0.45 30.16 H new ATOM 0 HD11 LEU A 73 44.621 -77.700 -16.572 0.45 29.57 H new ATOM 0 HD12 LEU A 73 46.134 -76.765 -16.509 0.45 29.57 H new ATOM 0 HD13 LEU A 73 44.658 -76.025 -17.174 0.45 29.57 H new ATOM 0 HD21 LEU A 73 43.709 -78.459 -18.764 0.45 29.11 H new ATOM 0 HD22 LEU A 73 43.760 -76.793 -19.386 0.45 29.11 H new ATOM 0 HD23 LEU A 73 44.582 -78.099 -20.273 0.45 29.11 H new ATOM 1193 N ARG A 74 49.882 -75.115 -19.146 0.45 33.82 N ATOM 1194 CA ARG A 74 50.813 -74.369 -19.990 0.45 35.33 C ATOM 1195 C ARG A 74 52.177 -74.257 -19.315 0.45 36.22 C ATOM 1196 O ARG A 74 52.291 -74.412 -18.099 0.45 36.70 O ATOM 1197 CB ARG A 74 50.245 -72.973 -20.267 0.45 36.91 C ATOM 1198 CG ARG A 74 51.255 -72.143 -21.064 0.45 38.62 C ATOM 1199 CD ARG A 74 50.587 -70.855 -21.546 0.45 39.75 C ATOM 1200 NE ARG A 74 51.585 -69.941 -22.101 0.45 41.13 N ATOM 1201 CZ ARG A 74 52.127 -68.973 -21.365 0.45 41.91 C ATOM 1202 NH1 ARG A 74 51.463 -67.872 -21.143 0.45 41.93 N ATOM 1203 NH2 ARG A 74 53.323 -69.124 -20.866 0.45 42.75 N ATOM 0 H ARG A 74 50.149 -75.172 -18.163 0.45 33.82 H new ATOM 0 HA ARG A 74 50.941 -74.901 -20.933 0.45 35.33 H new ATOM 0 HB2 ARG A 74 49.311 -73.056 -20.823 0.45 36.91 H new ATOM 0 HB3 ARG A 74 50.013 -72.473 -19.327 0.45 36.91 H new ATOM 0 HG2 ARG A 74 52.119 -71.907 -20.443 0.45 38.62 H new ATOM 0 HG3 ARG A 74 51.622 -72.716 -21.916 0.45 38.62 H new ATOM 0 HD2 ARG A 74 49.837 -71.087 -22.302 0.45 39.75 H new ATOM 0 HD3 ARG A 74 50.066 -70.375 -20.717 0.45 39.75 H new ATOM 0 HE ARG A 74 51.872 -70.048 -23.074 0.45 41.13 H new ATOM 0 HH11 ARG A 74 50.528 -67.753 -21.533 0.45 41.93 H new ATOM 0 HH12 ARG A 74 51.879 -67.131 -20.579 0.45 41.93 H new ATOM 0 HH21 ARG A 74 53.843 -69.984 -21.040 0.45 42.75 H new ATOM 0 HH22 ARG A 74 53.738 -68.382 -20.302 0.45 42.75 H new ATOM 1217 N GLY A 75 53.209 -73.981 -20.110 0.25 36.31 N ATOM 1218 CA GLY A 75 54.563 -73.842 -19.577 0.25 36.07 C ATOM 1219 C GLY A 75 55.288 -75.184 -19.575 0.25 36.16 C ATOM 1220 O GLY A 75 56.490 -75.249 -19.319 0.25 36.26 O ATOM 0 H GLY A 75 53.135 -73.850 -21.119 0.25 36.31 H new ATOM 0 HA2 GLY A 75 55.122 -73.123 -20.176 0.25 36.07 H new ATOM 0 HA3 GLY A 75 54.520 -73.446 -18.562 0.25 36.07 H new ATOM 1224 N GLY A 76 54.550 -76.252 -19.861 0.25 36.05 N ATOM 1225 CA GLY A 76 55.139 -77.587 -19.886 0.25 36.19 C ATOM 1226 C GLY A 76 56.224 -77.681 -20.954 0.25 36.20 C ATOM 1227 O GLY A 76 57.338 -78.041 -20.610 1.00 0.00 O ATOM 1228 OXT GLY A 76 55.925 -77.391 -22.102 1.00 0.00 O ATOM 0 H GLY A 76 53.554 -76.221 -20.077 0.25 36.05 H new ATOM 0 HA2 GLY A 76 55.563 -77.821 -18.909 0.25 36.19 H new ATOM 0 HA3 GLY A 76 54.364 -78.328 -20.083 0.25 36.19 H new TER 1232 GLY A 76