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 55 THR OG1 : rot 119:sc= 0.107 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.103 USER MOD Set 2.1: A 7 THR OG1 : rot 129:sc= -0.167 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.0462 USER MOD Set 2.3: A 11 LYS NZ :NH3+ -155:sc= -2.29! (180deg=-3.13!) USER MOD Single : A 1 MET CE :methyl -165:sc= 0 (180deg=-0.193) USER MOD Single : A 1 MET N :NH3+ 140:sc= 1.08 (180deg=0.0145!) USER MOD Single : A 2 GLN : amide:sc= -1.37! K(o=-1.4!,f=-0.025) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc=-0.00367 USER MOD Single : A 14 THR OG1 : rot -62:sc= 1.57 USER MOD Single : A 20 SER OG : rot -43:sc= 0.09 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0307 USER MOD Single : A 25 ASN : amide:sc= -1.21 K(o=-1.2,f=-0.3) USER MOD Single : A 27 LYS NZ :NH3+ -166:sc= -1.57! (180deg=-2.51!) USER MOD Single : A 29 LYS NZ :NH3+ 159:sc= -0.408 (180deg=-1.47!) USER MOD Single : A 31 GLN : amide:sc= -2.52! K(o=-2.5!,f=-0.71) USER MOD Single : A 33 LYS NZ :NH3+ -110:sc= -2.54 (180deg=-7.46!) USER MOD Single : A 40 GLN : amide:sc= -0.0199 K(o=-0.02,f=-1.4!) USER MOD Single : A 41 GLN : amide:sc=-0.00371 K(o=-0.0037,f=-2.8) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.033 K(o=-0.033,f=-1.8!) USER MOD Single : A 59 TYR OH : rot 165:sc= 0.0323 USER MOD Single : A 60 ASN : amide:sc= -5.26! C(o=-5.3!,f=-3.7!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 66:sc= 0.967 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=-0.0064) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 53.726 -88.517 9.362 1.00 9.67 N ATOM 2 CA MET A 1 52.381 -87.906 9.564 1.00 10.38 C ATOM 3 C MET A 1 51.600 -87.939 8.255 1.00 9.62 C ATOM 4 O MET A 1 52.184 -87.930 7.172 1.00 9.62 O ATOM 5 CB MET A 1 52.547 -86.459 10.032 1.00 13.77 C ATOM 6 CG MET A 1 53.368 -85.671 9.011 1.00 16.29 C ATOM 7 SD MET A 1 53.795 -84.057 9.716 1.00 17.17 S ATOM 8 CE MET A 1 53.641 -83.079 8.201 1.00 16.11 C ATOM 0 H1 MET A 1 54.439 -87.967 9.883 1.00 9.67 H new ATOM 0 H2 MET A 1 53.719 -89.496 9.714 1.00 9.67 H new ATOM 0 H3 MET A 1 53.960 -88.515 8.349 1.00 9.67 H new ATOM 0 HA MET A 1 51.834 -88.471 10.319 1.00 10.38 H new ATOM 0 HB2 MET A 1 51.569 -85.995 10.161 1.00 13.77 H new ATOM 0 HB3 MET A 1 53.041 -86.437 11.003 1.00 13.77 H new ATOM 0 HG2 MET A 1 54.273 -86.220 8.752 1.00 16.29 H new ATOM 0 HG3 MET A 1 52.799 -85.541 8.090 1.00 16.29 H new ATOM 0 HE1 MET A 1 54.114 -82.108 8.345 1.00 16.11 H new ATOM 0 HE2 MET A 1 54.130 -83.602 7.379 1.00 16.11 H new ATOM 0 HE3 MET A 1 52.586 -82.937 7.965 1.00 16.11 H new ATOM 20 N GLN A 2 50.273 -87.975 8.361 1.00 9.27 N ATOM 21 CA GLN A 2 49.411 -88.007 7.178 1.00 9.07 C ATOM 22 C GLN A 2 48.888 -86.612 6.866 1.00 8.72 C ATOM 23 O GLN A 2 48.544 -85.841 7.765 1.00 8.22 O ATOM 24 CB GLN A 2 48.226 -88.947 7.415 1.00 14.46 C ATOM 25 CG GLN A 2 48.711 -90.398 7.414 1.00 17.01 C ATOM 26 CD GLN A 2 47.588 -91.326 7.863 1.00 20.10 C ATOM 27 OE1 GLN A 2 47.711 -92.547 7.757 1.00 21.89 O ATOM 28 NE2 GLN A 2 46.488 -90.820 8.351 1.00 19.49 N ATOM 0 H GLN A 2 49.772 -87.983 9.249 1.00 9.27 H new ATOM 0 HA GLN A 2 50.000 -88.368 6.335 1.00 9.07 H new ATOM 0 HB2 GLN A 2 47.749 -88.714 8.367 1.00 14.46 H new ATOM 0 HB3 GLN A 2 47.475 -88.804 6.638 1.00 14.46 H new ATOM 0 HG2 GLN A 2 49.046 -90.677 6.415 1.00 17.01 H new ATOM 0 HG3 GLN A 2 49.568 -90.504 8.079 1.00 17.01 H new ATOM 0 HE21 GLN A 2 46.387 -89.809 8.439 1.00 19.49 H new ATOM 0 HE22 GLN A 2 45.730 -91.436 8.645 1.00 19.49 H new ATOM 37 N ILE A 3 48.804 -86.316 5.569 1.00 5.87 N ATOM 38 CA ILE A 3 48.293 -85.035 5.091 1.00 5.07 C ATOM 39 C ILE A 3 47.236 -85.287 4.018 1.00 4.01 C ATOM 40 O ILE A 3 47.099 -86.408 3.523 1.00 4.61 O ATOM 41 CB ILE A 3 49.430 -84.149 4.561 1.00 6.55 C ATOM 42 CG1 ILE A 3 50.085 -84.757 3.313 1.00 4.72 C ATOM 43 CG2 ILE A 3 50.494 -83.990 5.652 1.00 5.58 C ATOM 44 CD1 ILE A 3 50.940 -83.682 2.639 1.00 10.83 C ATOM 0 H ILE A 3 49.087 -86.954 4.825 1.00 5.87 H new ATOM 0 HA ILE A 3 47.834 -84.498 5.921 1.00 5.07 H new ATOM 0 HB ILE A 3 49.006 -83.182 4.289 1.00 6.55 H new ATOM 0 HG12 ILE A 3 50.701 -85.613 3.588 1.00 4.72 H new ATOM 0 HG13 ILE A 3 49.322 -85.121 2.624 1.00 4.72 H new ATOM 0 HG21 ILE A 3 51.304 -83.362 5.281 1.00 5.58 H new ATOM 0 HG22 ILE A 3 50.047 -83.525 6.531 1.00 5.58 H new ATOM 0 HG23 ILE A 3 50.889 -84.970 5.921 1.00 5.58 H new ATOM 0 HD11 ILE A 3 51.413 -84.098 1.750 1.00 10.83 H new ATOM 0 HD12 ILE A 3 50.308 -82.840 2.354 1.00 10.83 H new ATOM 0 HD13 ILE A 3 51.708 -83.341 3.333 1.00 10.83 H new ATOM 56 N PHE A 4 46.492 -84.237 3.659 1.00 4.55 N ATOM 57 CA PHE A 4 45.446 -84.359 2.635 1.00 4.68 C ATOM 58 C PHE A 4 45.659 -83.344 1.517 1.00 5.30 C ATOM 59 O PHE A 4 45.967 -82.192 1.777 1.00 5.58 O ATOM 60 CB PHE A 4 44.076 -84.116 3.272 1.00 4.83 C ATOM 61 CG PHE A 4 43.798 -85.186 4.302 1.00 7.97 C ATOM 62 CD1 PHE A 4 43.151 -86.368 3.923 1.00 8.34 C ATOM 63 CD2 PHE A 4 44.185 -84.996 5.635 1.00 6.69 C ATOM 64 CE1 PHE A 4 42.890 -87.361 4.875 1.00 10.61 C ATOM 65 CE2 PHE A 4 43.924 -85.990 6.587 1.00 9.10 C ATOM 66 CZ PHE A 4 43.277 -87.172 6.207 1.00 8.90 C ATOM 0 H PHE A 4 46.591 -83.303 4.056 1.00 4.55 H new ATOM 0 HA PHE A 4 45.494 -85.363 2.214 1.00 4.68 H new ATOM 0 HB2 PHE A 4 44.051 -83.132 3.740 1.00 4.83 H new ATOM 0 HB3 PHE A 4 43.301 -84.125 2.506 1.00 4.83 H new ATOM 0 HD1 PHE A 4 42.853 -86.514 2.895 1.00 8.34 H new ATOM 0 HD2 PHE A 4 44.684 -84.084 5.928 1.00 6.69 H new ATOM 0 HE1 PHE A 4 42.390 -88.272 4.582 1.00 10.61 H new ATOM 0 HE2 PHE A 4 44.222 -85.844 7.615 1.00 9.10 H new ATOM 0 HZ PHE A 4 43.076 -87.938 6.941 1.00 8.90 H new ATOM 76 N VAL A 5 45.450 -83.774 0.268 1.00 4.44 N ATOM 77 CA VAL A 5 45.575 -82.871 -0.885 1.00 3.87 C ATOM 78 C VAL A 5 44.246 -82.848 -1.635 1.00 4.93 C ATOM 79 O VAL A 5 43.754 -83.890 -2.060 1.00 6.84 O ATOM 80 CB VAL A 5 46.685 -83.330 -1.836 1.00 2.99 C ATOM 81 CG1 VAL A 5 46.823 -82.307 -2.972 1.00 5.28 C ATOM 82 CG2 VAL A 5 48.018 -83.407 -1.080 1.00 9.13 C ATOM 0 H VAL A 5 45.196 -84.732 0.029 1.00 4.44 H new ATOM 0 HA VAL A 5 45.831 -81.876 -0.522 1.00 3.87 H new ATOM 0 HB VAL A 5 46.434 -84.312 -2.236 1.00 2.99 H new ATOM 0 HG11 VAL A 5 47.611 -82.625 -3.654 1.00 5.28 H new ATOM 0 HG12 VAL A 5 45.880 -82.236 -3.514 1.00 5.28 H new ATOM 0 HG13 VAL A 5 47.076 -81.332 -2.555 1.00 5.28 H new ATOM 0 HG21 VAL A 5 48.804 -83.734 -1.761 1.00 9.13 H new ATOM 0 HG22 VAL A 5 48.268 -82.423 -0.682 1.00 9.13 H new ATOM 0 HG23 VAL A 5 47.930 -84.119 -0.259 1.00 9.13 H new ATOM 92 N LYS A 6 43.679 -81.656 -1.826 1.00 6.04 N ATOM 93 CA LYS A 6 42.414 -81.528 -2.562 1.00 6.12 C ATOM 94 C LYS A 6 42.677 -81.087 -4.002 1.00 6.57 C ATOM 95 O LYS A 6 43.553 -80.260 -4.259 1.00 5.76 O ATOM 96 CB LYS A 6 41.472 -80.520 -1.872 1.00 7.45 C ATOM 97 CG LYS A 6 40.602 -81.243 -0.833 1.00 11.12 C ATOM 98 CD LYS A 6 39.671 -80.239 -0.161 1.00 14.54 C ATOM 99 CE LYS A 6 38.791 -80.958 0.864 1.00 18.84 C ATOM 100 NZ LYS A 6 37.802 -79.998 1.432 1.00 20.55 N ATOM 0 H LYS A 6 44.066 -80.775 -1.488 1.00 6.04 H new ATOM 0 HA LYS A 6 41.931 -82.505 -2.569 1.00 6.12 H new ATOM 0 HB2 LYS A 6 42.055 -79.736 -1.388 1.00 7.45 H new ATOM 0 HB3 LYS A 6 40.839 -80.034 -2.614 1.00 7.45 H new ATOM 0 HG2 LYS A 6 40.020 -82.029 -1.314 1.00 11.12 H new ATOM 0 HG3 LYS A 6 41.233 -81.725 -0.087 1.00 11.12 H new ATOM 0 HD2 LYS A 6 40.254 -79.459 0.329 1.00 14.54 H new ATOM 0 HD3 LYS A 6 39.048 -79.749 -0.909 1.00 14.54 H new ATOM 0 HE2 LYS A 6 38.273 -81.793 0.392 1.00 18.84 H new ATOM 0 HE3 LYS A 6 39.408 -81.374 1.660 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 37.204 -80.487 2.129 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 38.305 -79.215 1.896 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 37.206 -79.621 0.668 1.00 20.55 H new ATOM 114 N THR A 7 41.899 -81.646 -4.942 1.00 7.41 N ATOM 115 CA THR A 7 42.039 -81.307 -6.360 1.00 7.48 C ATOM 116 C THR A 7 40.945 -80.340 -6.804 1.00 8.75 C ATOM 117 O THR A 7 39.976 -80.070 -6.094 1.00 8.58 O ATOM 118 CB THR A 7 41.967 -82.562 -7.230 1.00 9.61 C ATOM 119 OG1 THR A 7 40.642 -83.072 -7.234 1.00 11.78 O ATOM 120 CG2 THR A 7 42.932 -83.629 -6.714 1.00 9.17 C ATOM 0 H THR A 7 41.170 -82.332 -4.743 1.00 7.41 H new ATOM 0 HA THR A 7 43.013 -80.833 -6.482 1.00 7.48 H new ATOM 0 HB THR A 7 42.254 -82.296 -8.247 1.00 9.61 H new ATOM 0 HG1 THR A 7 40.352 -83.221 -8.158 1.00 11.78 H new ATOM 0 HG21 THR A 7 42.867 -84.515 -7.346 1.00 9.17 H new ATOM 0 HG22 THR A 7 43.950 -83.241 -6.738 1.00 9.17 H new ATOM 0 HG23 THR A 7 42.668 -83.893 -5.690 1.00 9.17 H new ATOM 128 N LEU A 8 41.150 -79.850 -8.001 1.00 9.84 N ATOM 129 CA LEU A 8 40.213 -78.909 -8.612 1.00 14.15 C ATOM 130 C LEU A 8 38.863 -79.569 -8.877 1.00 17.37 C ATOM 131 O LEU A 8 37.857 -78.878 -9.039 1.00 17.01 O ATOM 132 CB LEU A 8 40.766 -78.398 -9.946 1.00 16.63 C ATOM 133 CG LEU A 8 42.123 -77.727 -9.736 1.00 18.88 C ATOM 134 CD1 LEU A 8 42.653 -77.237 -11.087 1.00 19.31 C ATOM 135 CD2 LEU A 8 41.989 -76.535 -8.769 1.00 18.59 C ATOM 0 H LEU A 8 41.956 -80.081 -8.582 1.00 9.84 H new ATOM 0 HA LEU A 8 40.082 -78.082 -7.914 1.00 14.15 H new ATOM 0 HB2 LEU A 8 40.867 -79.227 -10.647 1.00 16.63 H new ATOM 0 HB3 LEU A 8 40.067 -77.689 -10.390 1.00 16.63 H new ATOM 0 HG LEU A 8 42.816 -78.449 -9.304 1.00 18.88 H new ATOM 0 HD11 LEU A 8 43.621 -76.757 -10.946 1.00 19.31 H new ATOM 0 HD12 LEU A 8 42.764 -78.084 -11.764 1.00 19.31 H new ATOM 0 HD13 LEU A 8 41.952 -76.520 -11.515 1.00 19.31 H new ATOM 0 HD21 LEU A 8 42.964 -76.068 -8.630 1.00 18.59 H new ATOM 0 HD22 LEU A 8 41.293 -75.806 -9.184 1.00 18.59 H new ATOM 0 HD23 LEU A 8 41.615 -76.887 -7.808 1.00 18.59 H new ATOM 147 N THR A 9 38.837 -80.904 -8.953 1.00 18.33 N ATOM 148 CA THR A 9 37.585 -81.615 -9.239 1.00 19.24 C ATOM 149 C THR A 9 36.857 -82.048 -7.970 1.00 19.48 C ATOM 150 O THR A 9 35.842 -82.742 -8.035 1.00 23.14 O ATOM 151 CB THR A 9 37.825 -82.809 -10.167 1.00 18.97 C ATOM 152 OG1 THR A 9 38.580 -83.793 -9.474 1.00 20.24 O ATOM 153 CG2 THR A 9 38.597 -82.361 -11.407 1.00 19.70 C ATOM 0 H THR A 9 39.651 -81.505 -8.823 1.00 18.33 H new ATOM 0 HA THR A 9 36.934 -80.907 -9.753 1.00 19.24 H new ATOM 0 HB THR A 9 36.865 -83.224 -10.475 1.00 18.97 H new ATOM 0 HG1 THR A 9 38.735 -84.561 -10.063 1.00 20.24 H new ATOM 0 HG21 THR A 9 38.763 -83.217 -12.061 1.00 19.70 H new ATOM 0 HG22 THR A 9 38.022 -81.603 -11.940 1.00 19.70 H new ATOM 0 HG23 THR A 9 39.557 -81.943 -11.106 1.00 19.70 H new ATOM 161 N GLY A 10 37.352 -81.601 -6.817 1.00 19.43 N ATOM 162 CA GLY A 10 36.705 -81.916 -5.545 1.00 18.74 C ATOM 163 C GLY A 10 37.155 -83.247 -4.956 1.00 17.62 C ATOM 164 O GLY A 10 36.516 -83.791 -4.055 1.00 19.74 O ATOM 0 H GLY A 10 38.190 -81.025 -6.737 1.00 19.43 H new ATOM 0 HA2 GLY A 10 36.916 -81.120 -4.831 1.00 18.74 H new ATOM 0 HA3 GLY A 10 35.625 -81.937 -5.690 1.00 18.74 H new ATOM 168 N LYS A 11 38.266 -83.760 -5.475 1.00 13.56 N ATOM 169 CA LYS A 11 38.795 -85.033 -4.986 1.00 11.91 C ATOM 170 C LYS A 11 39.770 -84.789 -3.838 1.00 10.18 C ATOM 171 O LYS A 11 40.569 -83.861 -3.905 1.00 9.10 O ATOM 172 CB LYS A 11 39.548 -85.766 -6.100 1.00 13.43 C ATOM 173 CG LYS A 11 39.884 -87.192 -5.665 1.00 16.69 C ATOM 174 CD LYS A 11 40.410 -87.974 -6.875 1.00 17.92 C ATOM 175 CE LYS A 11 41.698 -87.322 -7.406 1.00 20.81 C ATOM 176 NZ LYS A 11 41.346 -86.278 -8.411 1.00 21.93 N ATOM 0 H LYS A 11 38.810 -83.326 -6.220 1.00 13.56 H new ATOM 0 HA LYS A 11 37.953 -85.637 -4.647 1.00 11.91 H new ATOM 0 HB2 LYS A 11 38.941 -85.788 -7.005 1.00 13.43 H new ATOM 0 HB3 LYS A 11 40.464 -85.228 -6.344 1.00 13.43 H new ATOM 0 HG2 LYS A 11 40.632 -87.177 -4.873 1.00 16.69 H new ATOM 0 HG3 LYS A 11 38.998 -87.680 -5.258 1.00 16.69 H new ATOM 0 HD2 LYS A 11 40.607 -89.008 -6.592 1.00 17.92 H new ATOM 0 HD3 LYS A 11 39.654 -87.996 -7.660 1.00 17.92 H new ATOM 0 HE2 LYS A 11 42.259 -86.877 -6.584 1.00 20.81 H new ATOM 0 HE3 LYS A 11 42.341 -88.077 -7.859 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 42.146 -86.138 -9.061 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 40.511 -86.583 -8.950 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 41.136 -85.384 -7.923 1.00 21.93 H new ATOM 190 N THR A 12 39.738 -85.639 -2.804 1.00 9.63 N ATOM 191 CA THR A 12 40.680 -85.488 -1.680 1.00 9.85 C ATOM 192 C THR A 12 41.596 -86.708 -1.646 1.00 11.66 C ATOM 193 O THR A 12 41.118 -87.841 -1.594 1.00 12.33 O ATOM 194 CB THR A 12 39.938 -85.358 -0.345 1.00 10.85 C ATOM 195 OG1 THR A 12 39.093 -84.216 -0.384 1.00 10.91 O ATOM 196 CG2 THR A 12 40.968 -85.180 0.775 1.00 9.63 C ATOM 0 H THR A 12 39.089 -86.421 -2.719 1.00 9.63 H new ATOM 0 HA THR A 12 41.262 -84.578 -1.826 1.00 9.85 H new ATOM 0 HB THR A 12 39.338 -86.250 -0.166 1.00 10.85 H new ATOM 0 HG1 THR A 12 38.616 -84.132 0.468 1.00 10.91 H new ATOM 0 HG21 THR A 12 40.453 -85.086 1.731 1.00 9.63 H new ATOM 0 HG22 THR A 12 41.629 -86.046 0.802 1.00 9.63 H new ATOM 0 HG23 THR A 12 41.555 -84.281 0.589 1.00 9.63 H new ATOM 204 N ILE A 13 42.912 -86.480 -1.652 1.00 10.42 N ATOM 205 CA ILE A 13 43.878 -87.584 -1.596 1.00 11.84 C ATOM 206 C ILE A 13 44.598 -87.576 -0.251 1.00 10.55 C ATOM 207 O ILE A 13 44.989 -86.521 0.244 1.00 11.92 O ATOM 208 CB ILE A 13 44.941 -87.474 -2.707 1.00 14.86 C ATOM 209 CG1 ILE A 13 44.278 -86.977 -3.994 1.00 14.87 C ATOM 210 CG2 ILE A 13 45.577 -88.846 -2.954 1.00 17.08 C ATOM 211 CD1 ILE A 13 45.264 -87.060 -5.163 1.00 16.46 C ATOM 0 H ILE A 13 43.332 -85.551 -1.695 1.00 10.42 H new ATOM 0 HA ILE A 13 43.316 -88.508 -1.733 1.00 11.84 H new ATOM 0 HB ILE A 13 45.715 -86.771 -2.399 1.00 14.86 H new ATOM 0 HG12 ILE A 13 43.394 -87.576 -4.211 1.00 14.87 H new ATOM 0 HG13 ILE A 13 43.942 -85.948 -3.865 1.00 14.87 H new ATOM 0 HG21 ILE A 13 46.328 -88.763 -3.740 1.00 17.08 H new ATOM 0 HG22 ILE A 13 46.049 -89.198 -2.037 1.00 17.08 H new ATOM 0 HG23 ILE A 13 44.807 -89.554 -3.261 1.00 17.08 H new ATOM 0 HD11 ILE A 13 44.781 -86.704 -6.073 1.00 16.46 H new ATOM 0 HD12 ILE A 13 46.135 -86.441 -4.949 1.00 16.46 H new ATOM 0 HD13 ILE A 13 45.579 -88.094 -5.301 1.00 16.46 H new ATOM 223 N THR A 14 44.795 -88.766 0.321 1.00 9.39 N ATOM 224 CA THR A 14 45.501 -88.889 1.596 1.00 9.63 C ATOM 225 C THR A 14 46.916 -89.372 1.318 1.00 11.20 C ATOM 226 O THR A 14 47.110 -90.331 0.571 1.00 11.63 O ATOM 227 CB THR A 14 44.786 -89.888 2.509 1.00 10.38 C ATOM 228 OG1 THR A 14 43.461 -89.440 2.755 1.00 16.30 O ATOM 229 CG2 THR A 14 45.543 -90.000 3.833 1.00 11.66 C ATOM 0 H THR A 14 44.478 -89.651 -0.075 1.00 9.39 H new ATOM 0 HA THR A 14 45.522 -87.921 2.096 1.00 9.63 H new ATOM 0 HB THR A 14 44.754 -90.865 2.026 1.00 10.38 H new ATOM 0 HG1 THR A 14 43.488 -88.577 3.218 1.00 16.30 H new ATOM 0 HG21 THR A 14 45.034 -90.711 4.484 1.00 11.66 H new ATOM 0 HG22 THR A 14 46.559 -90.345 3.643 1.00 11.66 H new ATOM 0 HG23 THR A 14 45.575 -89.024 4.317 1.00 11.66 H new ATOM 237 N LEU A 15 47.907 -88.700 1.903 1.00 8.29 N ATOM 238 CA LEU A 15 49.310 -89.070 1.686 1.00 9.03 C ATOM 239 C LEU A 15 50.020 -89.278 3.016 1.00 8.59 C ATOM 240 O LEU A 15 49.738 -88.586 3.993 1.00 7.79 O ATOM 241 CB LEU A 15 50.021 -87.949 0.922 1.00 11.08 C ATOM 242 CG LEU A 15 49.337 -87.710 -0.430 1.00 15.79 C ATOM 243 CD1 LEU A 15 49.940 -86.460 -1.077 1.00 15.88 C ATOM 244 CD2 LEU A 15 49.543 -88.921 -1.358 1.00 15.27 C ATOM 0 H LEU A 15 47.769 -87.904 2.525 1.00 8.29 H new ATOM 0 HA LEU A 15 49.338 -89.997 1.114 1.00 9.03 H new ATOM 0 HB2 LEU A 15 50.007 -87.032 1.511 1.00 11.08 H new ATOM 0 HB3 LEU A 15 51.067 -88.212 0.767 1.00 11.08 H new ATOM 0 HG LEU A 15 48.267 -87.571 -0.272 1.00 15.79 H new ATOM 0 HD11 LEU A 15 49.460 -86.281 -2.039 1.00 15.88 H new ATOM 0 HD12 LEU A 15 49.780 -85.600 -0.426 1.00 15.88 H new ATOM 0 HD13 LEU A 15 51.010 -86.608 -1.227 1.00 15.88 H new ATOM 0 HD21 LEU A 15 49.052 -88.735 -2.313 1.00 15.27 H new ATOM 0 HD22 LEU A 15 50.609 -89.076 -1.523 1.00 15.27 H new ATOM 0 HD23 LEU A 15 49.114 -89.810 -0.896 1.00 15.27 H new ATOM 256 N GLU A 16 50.996 -90.184 3.029 1.00 11.04 N ATOM 257 CA GLU A 16 51.806 -90.415 4.224 1.00 11.50 C ATOM 258 C GLU A 16 53.137 -89.722 3.968 1.00 10.13 C ATOM 259 O GLU A 16 53.809 -90.006 2.977 1.00 9.83 O ATOM 260 CB GLU A 16 52.009 -91.913 4.468 1.00 17.22 C ATOM 261 CG GLU A 16 52.860 -92.118 5.725 1.00 23.33 C ATOM 262 CD GLU A 16 53.066 -93.607 5.977 1.00 26.99 C ATOM 263 OE1 GLU A 16 52.683 -94.391 5.124 1.00 28.86 O ATOM 264 OE2 GLU A 16 53.602 -93.943 7.020 1.00 28.90 O ATOM 0 H GLU A 16 51.244 -90.767 2.230 1.00 11.04 H new ATOM 0 HA GLU A 16 51.317 -90.021 5.115 1.00 11.50 H new ATOM 0 HB2 GLU A 16 51.044 -92.407 4.585 1.00 17.22 H new ATOM 0 HB3 GLU A 16 52.498 -92.369 3.607 1.00 17.22 H new ATOM 0 HG2 GLU A 16 53.824 -91.624 5.606 1.00 23.33 H new ATOM 0 HG3 GLU A 16 52.371 -91.659 6.584 1.00 23.33 H new ATOM 271 N VAL A 17 53.506 -88.793 4.843 1.00 8.99 N ATOM 272 CA VAL A 17 54.750 -88.042 4.675 1.00 8.85 C ATOM 273 C VAL A 17 55.456 -87.839 6.009 1.00 8.04 C ATOM 274 O VAL A 17 54.881 -88.046 7.077 1.00 8.99 O ATOM 275 CB VAL A 17 54.436 -86.665 4.088 1.00 9.78 C ATOM 276 CG1 VAL A 17 53.803 -86.811 2.703 1.00 12.05 C ATOM 277 CG2 VAL A 17 53.466 -85.938 5.024 1.00 10.54 C ATOM 0 H VAL A 17 52.967 -88.541 5.672 1.00 8.99 H new ATOM 0 HA VAL A 17 55.399 -88.612 4.010 1.00 8.85 H new ATOM 0 HB VAL A 17 55.359 -86.094 3.990 1.00 9.78 H new ATOM 0 HG11 VAL A 17 53.585 -85.823 2.297 1.00 12.05 H new ATOM 0 HG12 VAL A 17 54.494 -87.331 2.040 1.00 12.05 H new ATOM 0 HG13 VAL A 17 52.878 -87.383 2.784 1.00 12.05 H new ATOM 0 HG21 VAL A 17 53.235 -84.954 4.616 1.00 10.54 H new ATOM 0 HG22 VAL A 17 52.547 -86.517 5.117 1.00 10.54 H new ATOM 0 HG23 VAL A 17 53.925 -85.824 6.006 1.00 10.54 H new ATOM 287 N GLU A 18 56.699 -87.371 5.921 1.00 7.29 N ATOM 288 CA GLU A 18 57.499 -87.060 7.109 1.00 7.08 C ATOM 289 C GLU A 18 57.792 -85.556 7.082 1.00 6.45 C ATOM 290 O GLU A 18 57.878 -84.985 5.995 1.00 5.28 O ATOM 291 CB GLU A 18 58.812 -87.855 7.107 1.00 10.28 C ATOM 292 CG GLU A 18 58.524 -89.360 7.211 1.00 12.65 C ATOM 293 CD GLU A 18 58.126 -89.905 5.841 1.00 14.15 C ATOM 294 OE1 GLU A 18 59.014 -90.309 5.108 1.00 18.17 O ATOM 295 OE2 GLU A 18 56.945 -89.911 5.543 1.00 14.33 O ATOM 0 H GLU A 18 57.178 -87.197 5.037 1.00 7.29 H new ATOM 0 HA GLU A 18 56.954 -87.334 8.012 1.00 7.08 H new ATOM 0 HB2 GLU A 18 59.370 -87.647 6.194 1.00 10.28 H new ATOM 0 HB3 GLU A 18 59.438 -87.539 7.942 1.00 10.28 H new ATOM 0 HG2 GLU A 18 59.406 -89.884 7.579 1.00 12.65 H new ATOM 0 HG3 GLU A 18 57.724 -89.538 7.930 1.00 12.65 H new ATOM 302 N PRO A 19 57.935 -84.873 8.202 1.00 7.24 N ATOM 303 CA PRO A 19 58.198 -83.415 8.159 1.00 7.07 C ATOM 304 C PRO A 19 59.452 -83.062 7.361 1.00 6.65 C ATOM 305 O PRO A 19 59.580 -81.946 6.856 1.00 6.37 O ATOM 306 CB PRO A 19 58.327 -82.966 9.628 1.00 7.61 C ATOM 307 CG PRO A 19 57.687 -84.077 10.413 1.00 8.16 C ATOM 308 CD PRO A 19 57.868 -85.364 9.589 1.00 7.49 C ATOM 0 HA PRO A 19 57.386 -82.900 7.646 1.00 7.07 H new ATOM 0 HB2 PRO A 19 59.370 -82.828 9.912 1.00 7.61 H new ATOM 0 HB3 PRO A 19 57.822 -82.015 9.799 1.00 7.61 H new ATOM 0 HG2 PRO A 19 58.153 -84.177 11.393 1.00 8.16 H new ATOM 0 HG3 PRO A 19 56.630 -83.872 10.582 1.00 8.16 H new ATOM 0 HD2 PRO A 19 58.776 -85.898 9.871 1.00 7.49 H new ATOM 0 HD3 PRO A 19 57.036 -86.053 9.732 1.00 7.49 H new ATOM 316 N SER A 20 60.382 -84.012 7.269 1.00 6.80 N ATOM 317 CA SER A 20 61.632 -83.785 6.550 1.00 6.28 C ATOM 318 C SER A 20 61.485 -84.069 5.060 1.00 8.45 C ATOM 319 O SER A 20 62.432 -83.875 4.298 1.00 7.26 O ATOM 320 CB SER A 20 62.742 -84.655 7.134 1.00 8.57 C ATOM 321 OG SER A 20 64.002 -84.076 6.822 1.00 11.13 O ATOM 0 H SER A 20 60.293 -84.941 7.681 1.00 6.80 H new ATOM 0 HA SER A 20 61.892 -82.733 6.668 1.00 6.28 H new ATOM 0 HB2 SER A 20 62.624 -84.739 8.214 1.00 8.57 H new ATOM 0 HB3 SER A 20 62.681 -85.664 6.727 1.00 8.57 H new ATOM 0 HG SER A 20 63.999 -83.767 5.892 1.00 11.13 H new ATOM 327 N ASP A 21 60.302 -84.502 4.629 1.00 7.50 N ATOM 328 CA ASP A 21 60.090 -84.762 3.213 1.00 7.70 C ATOM 329 C ASP A 21 60.083 -83.429 2.496 1.00 7.08 C ATOM 330 O ASP A 21 59.569 -82.419 2.998 1.00 8.11 O ATOM 331 CB ASP A 21 58.755 -85.482 2.994 1.00 11.00 C ATOM 332 CG ASP A 21 58.883 -86.961 3.348 1.00 15.32 C ATOM 333 OD1 ASP A 21 59.999 -87.453 3.378 1.00 18.03 O ATOM 334 OD2 ASP A 21 57.860 -87.582 3.584 1.00 14.36 O ATOM 0 H ASP A 21 59.494 -84.676 5.227 1.00 7.50 H new ATOM 0 HA ASP A 21 60.883 -85.402 2.826 1.00 7.70 H new ATOM 0 HB2 ASP A 21 57.981 -85.021 3.607 1.00 11.00 H new ATOM 0 HB3 ASP A 21 58.444 -85.376 1.955 1.00 11.00 H new ATOM 339 N THR A 22 60.637 -83.460 1.287 1.00 5.37 N ATOM 340 CA THR A 22 60.685 -82.286 0.443 1.00 6.01 C ATOM 341 C THR A 22 59.400 -82.174 -0.361 1.00 8.01 C ATOM 342 O THR A 22 58.719 -83.165 -0.606 1.00 8.11 O ATOM 343 CB THR A 22 61.858 -82.357 -0.529 1.00 8.92 C ATOM 344 OG1 THR A 22 61.690 -83.471 -1.393 1.00 10.22 O ATOM 345 CG2 THR A 22 63.187 -82.484 0.220 1.00 9.65 C ATOM 0 H THR A 22 61.059 -84.292 0.875 1.00 5.37 H new ATOM 0 HA THR A 22 60.806 -81.417 1.089 1.00 6.01 H new ATOM 0 HB THR A 22 61.880 -81.435 -1.111 1.00 8.92 H new ATOM 0 HG1 THR A 22 62.443 -83.516 -2.019 1.00 10.22 H new ATOM 0 HG21 THR A 22 64.006 -82.533 -0.498 1.00 9.65 H new ATOM 0 HG22 THR A 22 63.323 -81.618 0.868 1.00 9.65 H new ATOM 0 HG23 THR A 22 63.179 -83.392 0.824 1.00 9.65 H new ATOM 353 N ILE A 23 59.097 -80.963 -0.789 1.00 8.32 N ATOM 354 CA ILE A 23 57.914 -80.710 -1.600 1.00 9.92 C ATOM 355 C ILE A 23 58.020 -81.499 -2.906 1.00 10.01 C ATOM 356 O ILE A 23 57.037 -82.069 -3.372 1.00 8.71 O ATOM 357 CB ILE A 23 57.796 -79.205 -1.850 1.00 10.78 C ATOM 358 CG1 ILE A 23 57.524 -78.465 -0.527 1.00 11.38 C ATOM 359 CG2 ILE A 23 56.690 -78.916 -2.867 1.00 10.90 C ATOM 360 CD1 ILE A 23 56.240 -78.959 0.142 1.00 12.30 C ATOM 0 H ILE A 23 59.655 -80.133 -0.589 1.00 8.32 H new ATOM 0 HA ILE A 23 57.012 -81.040 -1.084 1.00 9.92 H new ATOM 0 HB ILE A 23 58.739 -78.845 -2.260 1.00 10.78 H new ATOM 0 HG12 ILE A 23 58.366 -78.608 0.150 1.00 11.38 H new ATOM 0 HG13 ILE A 23 57.447 -77.395 -0.718 1.00 11.38 H new ATOM 0 HG21 ILE A 23 56.620 -77.841 -3.033 1.00 10.90 H new ATOM 0 HG22 ILE A 23 56.922 -79.414 -3.808 1.00 10.90 H new ATOM 0 HG23 ILE A 23 55.739 -79.287 -2.485 1.00 10.90 H new ATOM 0 HD11 ILE A 23 56.082 -78.414 1.072 1.00 12.30 H new ATOM 0 HD12 ILE A 23 55.394 -78.792 -0.525 1.00 12.30 H new ATOM 0 HD13 ILE A 23 56.328 -80.024 0.356 1.00 12.30 H new ATOM 372 N GLU A 24 59.224 -81.554 -3.476 1.00 9.54 N ATOM 373 CA GLU A 24 59.442 -82.318 -4.706 1.00 11.81 C ATOM 374 C GLU A 24 59.100 -83.780 -4.446 1.00 11.14 C ATOM 375 O GLU A 24 58.538 -84.457 -5.303 1.00 10.62 O ATOM 376 CB GLU A 24 60.900 -82.196 -5.156 1.00 19.24 C ATOM 377 CG GLU A 24 61.107 -82.951 -6.472 1.00 27.76 C ATOM 378 CD GLU A 24 62.560 -82.827 -6.917 1.00 32.92 C ATOM 379 OE1 GLU A 24 63.278 -82.044 -6.317 1.00 34.80 O ATOM 380 OE2 GLU A 24 62.933 -83.514 -7.854 1.00 36.51 O ATOM 0 H GLU A 24 60.054 -81.086 -3.112 1.00 9.54 H new ATOM 0 HA GLU A 24 58.803 -81.923 -5.496 1.00 11.81 H new ATOM 0 HB2 GLU A 24 61.163 -81.146 -5.284 1.00 19.24 H new ATOM 0 HB3 GLU A 24 61.561 -82.599 -4.388 1.00 19.24 H new ATOM 0 HG2 GLU A 24 60.845 -84.001 -6.344 1.00 27.76 H new ATOM 0 HG3 GLU A 24 60.446 -82.549 -7.240 1.00 27.76 H new ATOM 387 N ASN A 25 59.444 -84.259 -3.256 1.00 9.43 N ATOM 388 CA ASN A 25 59.156 -85.646 -2.908 1.00 10.96 C ATOM 389 C ASN A 25 57.645 -85.840 -2.820 1.00 9.68 C ATOM 390 O ASN A 25 57.113 -86.838 -3.301 1.00 9.33 O ATOM 391 CB ASN A 25 59.813 -86.017 -1.578 1.00 16.78 C ATOM 392 CG ASN A 25 59.712 -87.521 -1.354 1.00 22.31 C ATOM 393 OD1 ASN A 25 60.332 -88.301 -2.078 1.00 25.66 O ATOM 394 ND2 ASN A 25 58.957 -87.977 -0.396 1.00 24.70 N ATOM 0 H ASN A 25 59.914 -83.720 -2.528 1.00 9.43 H new ATOM 0 HA ASN A 25 59.563 -86.298 -3.681 1.00 10.96 H new ATOM 0 HB2 ASN A 25 60.859 -85.710 -1.580 1.00 16.78 H new ATOM 0 HB3 ASN A 25 59.326 -85.485 -0.761 1.00 16.78 H new ATOM 0 HD21 ASN A 25 58.878 -88.982 -0.244 1.00 24.70 H new ATOM 0 HD22 ASN A 25 58.445 -87.329 0.202 1.00 24.70 H new ATOM 401 N VAL A 26 56.957 -84.873 -2.217 1.00 6.52 N ATOM 402 CA VAL A 26 55.506 -84.952 -2.099 1.00 5.53 C ATOM 403 C VAL A 26 54.883 -84.984 -3.492 1.00 4.42 C ATOM 404 O VAL A 26 53.962 -85.764 -3.743 1.00 3.40 O ATOM 405 CB VAL A 26 54.950 -83.780 -1.290 1.00 3.86 C ATOM 406 CG1 VAL A 26 53.420 -83.793 -1.344 1.00 7.25 C ATOM 407 CG2 VAL A 26 55.421 -83.887 0.162 1.00 8.12 C ATOM 0 H VAL A 26 57.375 -84.037 -1.808 1.00 6.52 H new ATOM 0 HA VAL A 26 55.250 -85.868 -1.567 1.00 5.53 H new ATOM 0 HB VAL A 26 55.313 -82.844 -1.716 1.00 3.86 H new ATOM 0 HG11 VAL A 26 53.028 -82.956 -0.766 1.00 7.25 H new ATOM 0 HG12 VAL A 26 53.092 -83.704 -2.380 1.00 7.25 H new ATOM 0 HG13 VAL A 26 53.049 -84.728 -0.925 1.00 7.25 H new ATOM 0 HG21 VAL A 26 55.023 -83.050 0.736 1.00 8.12 H new ATOM 0 HG22 VAL A 26 55.066 -84.824 0.592 1.00 8.12 H new ATOM 0 HG23 VAL A 26 56.510 -83.864 0.194 1.00 8.12 H new ATOM 417 N LYS A 27 55.392 -84.152 -4.414 1.00 2.64 N ATOM 418 CA LYS A 27 54.873 -84.131 -5.775 1.00 4.14 C ATOM 419 C LYS A 27 55.051 -85.510 -6.397 1.00 5.58 C ATOM 420 O LYS A 27 54.187 -85.991 -7.125 1.00 4.11 O ATOM 421 CB LYS A 27 55.658 -83.161 -6.660 1.00 3.97 C ATOM 422 CG LYS A 27 55.545 -81.694 -6.198 1.00 7.45 C ATOM 423 CD LYS A 27 55.619 -80.791 -7.448 1.00 9.02 C ATOM 424 CE LYS A 27 55.786 -79.308 -7.052 1.00 12.90 C ATOM 425 NZ LYS A 27 56.640 -78.625 -8.064 1.00 15.47 N ATOM 0 H LYS A 27 56.153 -83.496 -4.238 1.00 2.64 H new ATOM 0 HA LYS A 27 53.827 -83.828 -5.719 1.00 4.14 H new ATOM 0 HB2 LYS A 27 56.708 -83.454 -6.667 1.00 3.97 H new ATOM 0 HB3 LYS A 27 55.298 -83.241 -7.686 1.00 3.97 H new ATOM 0 HG2 LYS A 27 54.607 -81.533 -5.667 1.00 7.45 H new ATOM 0 HG3 LYS A 27 56.350 -81.450 -5.504 1.00 7.45 H new ATOM 0 HD2 LYS A 27 56.456 -81.100 -8.075 1.00 9.02 H new ATOM 0 HD3 LYS A 27 54.713 -80.912 -8.042 1.00 9.02 H new ATOM 0 HE2 LYS A 27 54.812 -78.823 -6.993 1.00 12.90 H new ATOM 0 HE3 LYS A 27 56.240 -79.232 -6.064 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 56.952 -77.706 -7.691 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 57.471 -79.215 -8.271 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 56.094 -78.478 -8.937 1.00 15.47 H new ATOM 439 N ALA A 28 56.197 -86.127 -6.118 1.00 6.61 N ATOM 440 CA ALA A 28 56.499 -87.438 -6.672 1.00 7.74 C ATOM 441 C ALA A 28 55.490 -88.472 -6.186 1.00 9.17 C ATOM 442 O ALA A 28 55.060 -89.334 -6.952 1.00 11.45 O ATOM 443 CB ALA A 28 57.925 -87.866 -6.315 1.00 7.68 C ATOM 0 H ALA A 28 56.925 -85.741 -5.516 1.00 6.61 H new ATOM 0 HA ALA A 28 56.427 -87.372 -7.758 1.00 7.74 H new ATOM 0 HB1 ALA A 28 58.127 -88.849 -6.740 1.00 7.68 H new ATOM 0 HB2 ALA A 28 58.634 -87.143 -6.719 1.00 7.68 H new ATOM 0 HB3 ALA A 28 58.031 -87.911 -5.231 1.00 7.68 H new ATOM 449 N LYS A 29 55.089 -88.368 -4.926 1.00 8.96 N ATOM 450 CA LYS A 29 54.100 -89.292 -4.388 1.00 7.90 C ATOM 451 C LYS A 29 52.763 -89.097 -5.102 1.00 6.92 C ATOM 452 O LYS A 29 52.079 -90.064 -5.424 1.00 6.87 O ATOM 453 CB LYS A 29 53.891 -89.070 -2.885 1.00 10.28 C ATOM 454 CG LYS A 29 55.120 -89.516 -2.091 1.00 14.94 C ATOM 455 CD LYS A 29 54.857 -89.271 -0.600 1.00 19.69 C ATOM 456 CE LYS A 29 56.066 -89.706 0.230 1.00 22.63 C ATOM 457 NZ LYS A 29 55.912 -89.212 1.627 1.00 24.98 N ATOM 0 H LYS A 29 55.426 -87.666 -4.267 1.00 8.96 H new ATOM 0 HA LYS A 29 54.471 -90.304 -4.548 1.00 7.90 H new ATOM 0 HB2 LYS A 29 53.692 -88.016 -2.693 1.00 10.28 H new ATOM 0 HB3 LYS A 29 53.015 -89.626 -2.550 1.00 10.28 H new ATOM 0 HG2 LYS A 29 55.323 -90.572 -2.270 1.00 14.94 H new ATOM 0 HG3 LYS A 29 56.001 -88.962 -2.415 1.00 14.94 H new ATOM 0 HD2 LYS A 29 54.651 -88.214 -0.429 1.00 19.69 H new ATOM 0 HD3 LYS A 29 53.972 -89.824 -0.284 1.00 19.69 H new ATOM 0 HE2 LYS A 29 56.153 -90.793 0.224 1.00 22.63 H new ATOM 0 HE3 LYS A 29 56.983 -89.311 -0.208 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 56.510 -89.777 2.263 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 56.200 -88.214 1.676 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 54.918 -89.300 1.919 1.00 24.98 H new ATOM 471 N ILE A 30 52.420 -87.833 -5.391 1.00 4.57 N ATOM 472 CA ILE A 30 51.184 -87.516 -6.111 1.00 5.58 C ATOM 473 C ILE A 30 51.255 -88.087 -7.533 1.00 7.26 C ATOM 474 O ILE A 30 50.268 -88.612 -8.038 1.00 9.46 O ATOM 475 CB ILE A 30 50.946 -85.998 -6.121 1.00 5.36 C ATOM 476 CG1 ILE A 30 50.584 -85.573 -4.686 1.00 2.94 C ATOM 477 CG2 ILE A 30 49.793 -85.649 -7.081 1.00 2.78 C ATOM 478 CD1 ILE A 30 50.235 -84.086 -4.634 1.00 2.00 C ATOM 0 H ILE A 30 52.980 -87.019 -5.137 1.00 4.57 H new ATOM 0 HA ILE A 30 50.337 -87.976 -5.602 1.00 5.58 H new ATOM 0 HB ILE A 30 51.840 -85.475 -6.461 1.00 5.36 H new ATOM 0 HG12 ILE A 30 49.739 -86.162 -4.329 1.00 2.94 H new ATOM 0 HG13 ILE A 30 51.421 -85.779 -4.019 1.00 2.94 H new ATOM 0 HG21 ILE A 30 49.633 -84.571 -7.080 1.00 2.78 H new ATOM 0 HG22 ILE A 30 50.047 -85.978 -8.089 1.00 2.78 H new ATOM 0 HG23 ILE A 30 48.883 -86.151 -6.754 1.00 2.78 H new ATOM 0 HD11 ILE A 30 49.982 -83.807 -3.611 1.00 2.00 H new ATOM 0 HD12 ILE A 30 51.090 -83.500 -4.969 1.00 2.00 H new ATOM 0 HD13 ILE A 30 49.383 -83.889 -5.285 1.00 2.00 H new ATOM 490 N GLN A 31 52.417 -87.987 -8.176 1.00 7.06 N ATOM 491 CA GLN A 31 52.585 -88.507 -9.537 1.00 8.67 C ATOM 492 C GLN A 31 52.309 -90.005 -9.549 1.00 10.90 C ATOM 493 O GLN A 31 51.639 -90.526 -10.440 1.00 9.63 O ATOM 494 CB GLN A 31 54.029 -88.249 -9.987 1.00 9.12 C ATOM 495 CG GLN A 31 54.263 -88.813 -11.393 1.00 10.76 C ATOM 496 CD GLN A 31 55.694 -88.522 -11.831 1.00 13.78 C ATOM 497 OE1 GLN A 31 56.094 -88.891 -12.935 1.00 14.48 O ATOM 498 NE2 GLN A 31 56.499 -87.888 -11.021 1.00 14.76 N ATOM 0 H GLN A 31 53.252 -87.554 -7.782 1.00 7.06 H new ATOM 0 HA GLN A 31 51.889 -88.010 -10.213 1.00 8.67 H new ATOM 0 HB2 GLN A 31 54.232 -87.178 -9.980 1.00 9.12 H new ATOM 0 HB3 GLN A 31 54.723 -88.710 -9.284 1.00 9.12 H new ATOM 0 HG2 GLN A 31 54.082 -89.888 -11.399 1.00 10.76 H new ATOM 0 HG3 GLN A 31 53.559 -88.367 -12.096 1.00 10.76 H new ATOM 0 HE21 GLN A 31 56.166 -87.583 -10.106 1.00 14.76 H new ATOM 0 HE22 GLN A 31 57.461 -87.698 -11.303 1.00 14.76 H new ATOM 507 N ASP A 32 52.860 -90.677 -8.566 1.00 10.93 N ATOM 508 CA ASP A 32 52.699 -92.119 -8.477 1.00 14.01 C ATOM 509 C ASP A 32 51.225 -92.496 -8.347 1.00 14.04 C ATOM 510 O ASP A 32 50.777 -93.493 -8.915 1.00 13.39 O ATOM 511 CB ASP A 32 53.471 -92.654 -7.270 1.00 18.01 C ATOM 512 CG ASP A 32 53.322 -94.169 -7.185 1.00 24.33 C ATOM 513 OD1 ASP A 32 54.139 -94.859 -7.773 1.00 25.17 O ATOM 514 OD2 ASP A 32 52.394 -94.618 -6.533 1.00 26.29 O ATOM 0 H ASP A 32 53.419 -90.259 -7.822 1.00 10.93 H new ATOM 0 HA ASP A 32 53.092 -92.563 -9.391 1.00 14.01 H new ATOM 0 HB2 ASP A 32 54.525 -92.388 -7.355 1.00 18.01 H new ATOM 0 HB3 ASP A 32 53.098 -92.192 -6.356 1.00 18.01 H new ATOM 519 N LYS A 33 50.486 -91.718 -7.560 1.00 14.22 N ATOM 520 CA LYS A 33 49.073 -92.002 -7.314 1.00 14.00 C ATOM 521 C LYS A 33 48.126 -91.503 -8.419 1.00 12.37 C ATOM 522 O LYS A 33 47.121 -92.157 -8.699 1.00 12.17 O ATOM 523 CB LYS A 33 48.633 -91.341 -6.005 1.00 18.62 C ATOM 524 CG LYS A 33 49.500 -91.826 -4.816 1.00 24.00 C ATOM 525 CD LYS A 33 48.610 -92.114 -3.602 1.00 27.61 C ATOM 526 CE LYS A 33 49.473 -92.584 -2.431 1.00 27.64 C ATOM 527 NZ LYS A 33 50.522 -91.565 -2.147 1.00 30.06 N ATOM 0 H LYS A 33 50.840 -90.889 -7.083 1.00 14.22 H new ATOM 0 HA LYS A 33 49.000 -93.089 -7.278 1.00 14.00 H new ATOM 0 HB2 LYS A 33 48.710 -90.258 -6.097 1.00 18.62 H new ATOM 0 HB3 LYS A 33 47.585 -91.571 -5.812 1.00 18.62 H new ATOM 0 HG2 LYS A 33 50.048 -92.725 -5.098 1.00 24.00 H new ATOM 0 HG3 LYS A 33 50.241 -91.068 -4.562 1.00 24.00 H new ATOM 0 HD2 LYS A 33 48.058 -91.217 -3.322 1.00 27.61 H new ATOM 0 HD3 LYS A 33 47.873 -92.877 -3.852 1.00 27.61 H new ATOM 0 HE2 LYS A 33 48.853 -92.739 -1.548 1.00 27.64 H new ATOM 0 HE3 LYS A 33 49.936 -93.542 -2.668 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 51.453 -91.940 -2.420 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 50.323 -90.701 -2.691 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 50.523 -91.342 -1.131 1.00 30.06 H new ATOM 541 N GLU A 34 48.378 -90.311 -8.976 1.00 10.11 N ATOM 542 CA GLU A 34 47.449 -89.716 -9.962 1.00 10.07 C ATOM 543 C GLU A 34 47.961 -89.624 -11.407 1.00 9.32 C ATOM 544 O GLU A 34 47.173 -89.445 -12.335 1.00 11.61 O ATOM 545 CB GLU A 34 47.069 -88.319 -9.450 1.00 14.77 C ATOM 546 CG GLU A 34 46.267 -88.468 -8.151 1.00 18.75 C ATOM 547 CD GLU A 34 44.888 -89.056 -8.439 1.00 22.28 C ATOM 548 OE1 GLU A 34 44.459 -88.977 -9.578 1.00 21.95 O ATOM 549 OE2 GLU A 34 44.282 -89.572 -7.515 1.00 25.19 O ATOM 0 H GLU A 34 49.200 -89.744 -8.770 1.00 10.11 H new ATOM 0 HA GLU A 34 46.598 -90.393 -10.032 1.00 10.07 H new ATOM 0 HB2 GLU A 34 47.966 -87.725 -9.273 1.00 14.77 H new ATOM 0 HB3 GLU A 34 46.479 -87.790 -10.199 1.00 14.77 H new ATOM 0 HG2 GLU A 34 46.806 -89.112 -7.456 1.00 18.75 H new ATOM 0 HG3 GLU A 34 46.161 -87.496 -7.668 1.00 18.75 H new ATOM 556 N GLY A 35 49.266 -89.779 -11.601 1.00 7.22 N ATOM 557 CA GLY A 35 49.837 -89.743 -12.953 1.00 6.29 C ATOM 558 C GLY A 35 50.076 -88.318 -13.468 1.00 6.93 C ATOM 559 O GLY A 35 50.358 -88.112 -14.649 1.00 7.41 O ATOM 0 H GLY A 35 49.945 -89.929 -10.854 1.00 7.22 H new ATOM 0 HA2 GLY A 35 50.781 -90.287 -12.957 1.00 6.29 H new ATOM 0 HA3 GLY A 35 49.167 -90.263 -13.638 1.00 6.29 H new ATOM 563 N ILE A 36 49.959 -87.348 -12.574 1.00 5.86 N ATOM 564 CA ILE A 36 50.160 -85.943 -12.942 1.00 6.07 C ATOM 565 C ILE A 36 51.658 -85.592 -12.866 1.00 6.36 C ATOM 566 O ILE A 36 52.235 -85.658 -11.781 1.00 6.18 O ATOM 567 CB ILE A 36 49.399 -85.050 -11.957 1.00 7.47 C ATOM 568 CG1 ILE A 36 47.925 -85.500 -11.842 1.00 8.52 C ATOM 569 CG2 ILE A 36 49.450 -83.602 -12.459 1.00 7.36 C ATOM 570 CD1 ILE A 36 47.353 -85.050 -10.494 1.00 9.49 C ATOM 0 H ILE A 36 49.727 -87.500 -11.592 1.00 5.86 H new ATOM 0 HA ILE A 36 49.796 -85.784 -13.957 1.00 6.07 H new ATOM 0 HB ILE A 36 49.864 -85.127 -10.974 1.00 7.47 H new ATOM 0 HG12 ILE A 36 47.340 -85.074 -12.657 1.00 8.52 H new ATOM 0 HG13 ILE A 36 47.857 -86.584 -11.933 1.00 8.52 H new ATOM 0 HG21 ILE A 36 48.911 -82.957 -11.765 1.00 7.36 H new ATOM 0 HG22 ILE A 36 50.488 -83.276 -12.525 1.00 7.36 H new ATOM 0 HG23 ILE A 36 48.987 -83.542 -13.444 1.00 7.36 H new ATOM 0 HD11 ILE A 36 46.314 -85.368 -10.415 1.00 9.49 H new ATOM 0 HD12 ILE A 36 47.932 -85.497 -9.686 1.00 9.49 H new ATOM 0 HD13 ILE A 36 47.406 -83.964 -10.421 1.00 9.49 H new ATOM 582 N PRO A 37 52.319 -85.222 -13.954 1.00 8.65 N ATOM 583 CA PRO A 37 53.775 -84.877 -13.892 1.00 9.18 C ATOM 584 C PRO A 37 54.060 -83.696 -12.927 1.00 9.85 C ATOM 585 O PRO A 37 53.366 -82.681 -12.976 1.00 8.51 O ATOM 586 CB PRO A 37 54.156 -84.523 -15.342 1.00 11.42 C ATOM 587 CG PRO A 37 53.063 -85.091 -16.194 1.00 9.27 C ATOM 588 CD PRO A 37 51.798 -85.103 -15.331 1.00 8.33 C ATOM 0 HA PRO A 37 54.364 -85.705 -13.499 1.00 9.18 H new ATOM 0 HB2 PRO A 37 54.236 -83.444 -15.474 1.00 11.42 H new ATOM 0 HB3 PRO A 37 55.123 -84.949 -15.609 1.00 11.42 H new ATOM 0 HG2 PRO A 37 52.916 -84.487 -17.089 1.00 9.27 H new ATOM 0 HG3 PRO A 37 53.315 -86.098 -16.527 1.00 9.27 H new ATOM 0 HD2 PRO A 37 51.215 -84.192 -15.462 1.00 8.33 H new ATOM 0 HD3 PRO A 37 51.146 -85.938 -15.587 1.00 8.33 H new ATOM 596 N PRO A 38 55.059 -83.808 -12.052 1.00 8.71 N ATOM 597 CA PRO A 38 55.412 -82.721 -11.072 1.00 9.08 C ATOM 598 C PRO A 38 55.530 -81.318 -11.690 1.00 9.28 C ATOM 599 O PRO A 38 55.283 -80.327 -11.003 1.00 6.50 O ATOM 600 CB PRO A 38 56.775 -83.157 -10.515 1.00 10.31 C ATOM 601 CG PRO A 38 56.793 -84.640 -10.639 1.00 10.81 C ATOM 602 CD PRO A 38 55.956 -84.979 -11.877 1.00 12.00 C ATOM 0 HA PRO A 38 54.623 -82.620 -10.326 1.00 9.08 H new ATOM 0 HB2 PRO A 38 57.592 -82.705 -11.077 1.00 10.31 H new ATOM 0 HB3 PRO A 38 56.893 -82.848 -9.477 1.00 10.31 H new ATOM 0 HG2 PRO A 38 57.813 -85.009 -10.747 1.00 10.81 H new ATOM 0 HG3 PRO A 38 56.377 -85.110 -9.748 1.00 10.81 H new ATOM 0 HD2 PRO A 38 56.587 -85.130 -12.753 1.00 12.00 H new ATOM 0 HD3 PRO A 38 55.386 -85.897 -11.732 1.00 12.00 H new ATOM 610 N ASP A 39 55.932 -81.214 -12.945 1.00 11.20 N ATOM 611 CA ASP A 39 56.098 -79.896 -13.558 1.00 14.96 C ATOM 612 C ASP A 39 54.752 -79.229 -13.830 1.00 13.99 C ATOM 613 O ASP A 39 54.688 -78.022 -14.065 1.00 13.75 O ATOM 614 CB ASP A 39 56.907 -80.030 -14.849 1.00 24.16 C ATOM 615 CG ASP A 39 56.081 -80.744 -15.913 1.00 31.06 C ATOM 616 OD1 ASP A 39 55.995 -81.959 -15.851 1.00 35.55 O ATOM 617 OD2 ASP A 39 55.548 -80.064 -16.775 1.00 34.22 O ATOM 0 H ASP A 39 56.147 -82.004 -13.553 1.00 11.20 H new ATOM 0 HA ASP A 39 56.638 -79.257 -12.859 1.00 14.96 H new ATOM 0 HB2 ASP A 39 57.201 -79.043 -15.207 1.00 24.16 H new ATOM 0 HB3 ASP A 39 57.825 -80.586 -14.656 1.00 24.16 H new ATOM 622 N GLN A 40 53.673 -80.015 -13.801 1.00 11.60 N ATOM 623 CA GLN A 40 52.331 -79.477 -14.052 1.00 10.76 C ATOM 624 C GLN A 40 51.564 -79.236 -12.754 1.00 8.01 C ATOM 625 O GLN A 40 50.398 -78.845 -12.780 1.00 8.96 O ATOM 626 CB GLN A 40 51.524 -80.433 -14.934 1.00 11.14 C ATOM 627 CG GLN A 40 52.139 -80.487 -16.329 1.00 14.85 C ATOM 628 CD GLN A 40 51.238 -81.288 -17.263 1.00 16.11 C ATOM 629 OE1 GLN A 40 50.020 -81.310 -17.086 1.00 20.52 O ATOM 630 NE2 GLN A 40 51.767 -81.950 -18.255 1.00 18.16 N ATOM 0 H GLN A 40 53.699 -81.016 -13.608 1.00 11.60 H new ATOM 0 HA GLN A 40 52.463 -78.523 -14.562 1.00 10.76 H new ATOM 0 HB2 GLN A 40 51.513 -81.429 -14.492 1.00 11.14 H new ATOM 0 HB3 GLN A 40 50.488 -80.100 -14.995 1.00 11.14 H new ATOM 0 HG2 GLN A 40 52.273 -79.477 -16.716 1.00 14.85 H new ATOM 0 HG3 GLN A 40 53.127 -80.944 -16.283 1.00 14.85 H new ATOM 0 HE21 GLN A 40 52.776 -81.931 -18.400 1.00 18.16 H new ATOM 0 HE22 GLN A 40 51.171 -82.487 -18.885 1.00 18.16 H new ATOM 639 N GLN A 41 52.204 -79.511 -11.623 1.00 6.52 N ATOM 640 CA GLN A 41 51.543 -79.361 -10.322 1.00 3.87 C ATOM 641 C GLN A 41 52.014 -78.139 -9.534 1.00 4.79 C ATOM 642 O GLN A 41 53.210 -77.862 -9.439 1.00 6.34 O ATOM 643 CB GLN A 41 51.834 -80.600 -9.476 1.00 4.20 C ATOM 644 CG GLN A 41 51.191 -81.827 -10.111 1.00 3.20 C ATOM 645 CD GLN A 41 51.351 -83.028 -9.185 1.00 4.89 C ATOM 646 OE1 GLN A 41 51.133 -82.916 -7.979 1.00 5.21 O ATOM 647 NE2 GLN A 41 51.723 -84.176 -9.680 1.00 7.13 N ATOM 0 H GLN A 41 53.170 -79.836 -11.575 1.00 6.52 H new ATOM 0 HA GLN A 41 50.480 -79.234 -10.526 1.00 3.87 H new ATOM 0 HB2 GLN A 41 52.911 -80.747 -9.390 1.00 4.20 H new ATOM 0 HB3 GLN A 41 51.449 -80.459 -8.466 1.00 4.20 H new ATOM 0 HG2 GLN A 41 50.134 -81.639 -10.300 1.00 3.20 H new ATOM 0 HG3 GLN A 41 51.655 -82.035 -11.075 1.00 3.20 H new ATOM 0 HE21 GLN A 41 51.903 -84.266 -10.680 1.00 7.13 H new ATOM 0 HE22 GLN A 41 51.834 -84.984 -9.067 1.00 7.13 H new ATOM 656 N ARG A 42 51.047 -77.459 -8.910 1.00 5.73 N ATOM 657 CA ARG A 42 51.323 -76.308 -8.046 1.00 6.97 C ATOM 658 C ARG A 42 50.674 -76.577 -6.693 1.00 7.15 C ATOM 659 O ARG A 42 49.467 -76.794 -6.617 1.00 7.33 O ATOM 660 CB ARG A 42 50.753 -75.007 -8.616 1.00 13.23 C ATOM 661 CG ARG A 42 51.536 -74.588 -9.855 1.00 21.27 C ATOM 662 CD ARG A 42 50.948 -73.287 -10.404 1.00 26.14 C ATOM 663 NE ARG A 42 51.660 -72.878 -11.607 1.00 32.26 N ATOM 664 CZ ARG A 42 52.912 -72.436 -11.548 1.00 34.32 C ATOM 665 NH1 ARG A 42 53.159 -71.235 -11.102 1.00 36.39 N ATOM 666 NH2 ARG A 42 53.894 -73.205 -11.935 1.00 35.30 N ATOM 0 H ARG A 42 50.057 -77.689 -8.989 1.00 5.73 H new ATOM 0 HA ARG A 42 52.403 -76.186 -7.964 1.00 6.97 H new ATOM 0 HB2 ARG A 42 49.702 -75.142 -8.870 1.00 13.23 H new ATOM 0 HB3 ARG A 42 50.800 -74.220 -7.863 1.00 13.23 H new ATOM 0 HG2 ARG A 42 52.588 -74.449 -9.606 1.00 21.27 H new ATOM 0 HG3 ARG A 42 51.489 -75.371 -10.612 1.00 21.27 H new ATOM 0 HD2 ARG A 42 49.890 -73.424 -10.628 1.00 26.14 H new ATOM 0 HD3 ARG A 42 51.015 -72.503 -9.650 1.00 26.14 H new ATOM 0 HE ARG A 42 51.190 -72.932 -12.510 1.00 32.26 H new ATOM 0 HH11 ARG A 42 52.391 -70.636 -10.799 1.00 36.39 H new ATOM 0 HH12 ARG A 42 54.120 -70.895 -11.057 1.00 36.39 H new ATOM 0 HH21 ARG A 42 53.700 -74.144 -12.282 1.00 35.30 H new ATOM 0 HH22 ARG A 42 54.855 -72.866 -11.890 1.00 35.30 H new ATOM 680 N LEU A 43 51.465 -76.580 -5.626 1.00 4.65 N ATOM 681 CA LEU A 43 50.946 -76.846 -4.280 1.00 3.51 C ATOM 682 C LEU A 43 50.850 -75.560 -3.473 1.00 5.56 C ATOM 683 O LEU A 43 51.801 -74.783 -3.395 1.00 4.19 O ATOM 684 CB LEU A 43 51.867 -77.853 -3.579 1.00 3.74 C ATOM 685 CG LEU A 43 51.840 -79.222 -4.273 1.00 6.32 C ATOM 686 CD1 LEU A 43 52.936 -80.098 -3.660 1.00 9.55 C ATOM 687 CD2 LEU A 43 50.478 -79.904 -4.058 1.00 6.41 C ATOM 0 H LEU A 43 52.469 -76.402 -5.662 1.00 4.65 H new ATOM 0 HA LEU A 43 49.942 -77.263 -4.359 1.00 3.51 H new ATOM 0 HB2 LEU A 43 52.887 -77.469 -3.570 1.00 3.74 H new ATOM 0 HB3 LEU A 43 51.560 -77.965 -2.539 1.00 3.74 H new ATOM 0 HG LEU A 43 52.004 -79.089 -5.342 1.00 6.32 H new ATOM 0 HD11 LEU A 43 52.932 -81.076 -4.141 1.00 9.55 H new ATOM 0 HD12 LEU A 43 53.906 -79.624 -3.809 1.00 9.55 H new ATOM 0 HD13 LEU A 43 52.751 -80.218 -2.593 1.00 9.55 H new ATOM 0 HD21 LEU A 43 50.474 -80.874 -4.556 1.00 6.41 H new ATOM 0 HD22 LEU A 43 50.305 -80.043 -2.991 1.00 6.41 H new ATOM 0 HD23 LEU A 43 49.688 -79.279 -4.475 1.00 6.41 H new ATOM 699 N ILE A 44 49.679 -75.349 -2.874 1.00 4.58 N ATOM 700 CA ILE A 44 49.428 -74.159 -2.060 1.00 5.55 C ATOM 701 C ILE A 44 48.988 -74.558 -0.653 1.00 5.46 C ATOM 702 O ILE A 44 48.169 -75.464 -0.471 1.00 6.04 O ATOM 703 CB ILE A 44 48.328 -73.283 -2.715 1.00 6.80 C ATOM 704 CG1 ILE A 44 48.905 -72.435 -3.884 1.00 10.31 C ATOM 705 CG2 ILE A 44 47.722 -72.320 -1.671 1.00 7.39 C ATOM 706 CD1 ILE A 44 48.800 -73.165 -5.227 1.00 13.90 C ATOM 0 H ILE A 44 48.887 -75.988 -2.937 1.00 4.58 H new ATOM 0 HA ILE A 44 50.354 -73.587 -1.996 1.00 5.55 H new ATOM 0 HB ILE A 44 47.562 -73.956 -3.101 1.00 6.80 H new ATOM 0 HG12 ILE A 44 48.370 -71.487 -3.943 1.00 10.31 H new ATOM 0 HG13 ILE A 44 49.949 -72.199 -3.680 1.00 10.31 H new ATOM 0 HG21 ILE A 44 46.951 -71.710 -2.143 1.00 7.39 H new ATOM 0 HG22 ILE A 44 47.282 -72.896 -0.857 1.00 7.39 H new ATOM 0 HG23 ILE A 44 48.505 -71.673 -1.275 1.00 7.39 H new ATOM 0 HD11 ILE A 44 49.214 -72.537 -6.016 1.00 13.90 H new ATOM 0 HD12 ILE A 44 49.357 -74.100 -5.177 1.00 13.90 H new ATOM 0 HD13 ILE A 44 47.753 -73.378 -5.445 1.00 13.90 H new ATOM 718 N PHE A 45 49.519 -73.833 0.332 1.00 6.75 N ATOM 719 CA PHE A 45 49.169 -74.052 1.732 1.00 4.70 C ATOM 720 C PHE A 45 48.959 -72.705 2.408 1.00 6.34 C ATOM 721 O PHE A 45 49.826 -71.832 2.361 1.00 5.45 O ATOM 722 CB PHE A 45 50.268 -74.838 2.450 1.00 5.51 C ATOM 723 CG PHE A 45 49.959 -74.910 3.927 1.00 5.98 C ATOM 724 CD1 PHE A 45 49.180 -75.957 4.431 1.00 5.87 C ATOM 725 CD2 PHE A 45 50.451 -73.924 4.790 1.00 6.86 C ATOM 726 CE1 PHE A 45 48.895 -76.019 5.801 1.00 6.64 C ATOM 727 CE2 PHE A 45 50.166 -73.986 6.159 1.00 6.68 C ATOM 728 CZ PHE A 45 49.388 -75.034 6.664 1.00 6.84 C ATOM 0 H PHE A 45 50.197 -73.085 0.183 1.00 6.75 H new ATOM 0 HA PHE A 45 48.250 -74.636 1.783 1.00 4.70 H new ATOM 0 HB2 PHE A 45 50.341 -75.843 2.034 1.00 5.51 H new ATOM 0 HB3 PHE A 45 51.234 -74.358 2.293 1.00 5.51 H new ATOM 0 HD1 PHE A 45 48.799 -76.717 3.765 1.00 5.87 H new ATOM 0 HD2 PHE A 45 51.051 -73.115 4.400 1.00 6.86 H new ATOM 0 HE1 PHE A 45 48.295 -76.827 6.191 1.00 6.64 H new ATOM 0 HE2 PHE A 45 50.546 -73.226 6.825 1.00 6.68 H new ATOM 0 HZ PHE A 45 49.168 -75.083 7.720 1.00 6.84 H new ATOM 738 N ALA A 46 47.805 -72.545 3.035 1.00 6.53 N ATOM 739 CA ALA A 46 47.476 -71.308 3.723 1.00 7.15 C ATOM 740 C ALA A 46 47.742 -70.090 2.841 1.00 9.00 C ATOM 741 O ALA A 46 48.172 -69.043 3.324 1.00 11.15 O ATOM 742 CB ALA A 46 48.268 -71.219 5.029 1.00 8.99 C ATOM 0 H ALA A 46 47.078 -73.259 3.081 1.00 6.53 H new ATOM 0 HA ALA A 46 46.410 -71.313 3.952 1.00 7.15 H new ATOM 0 HB1 ALA A 46 48.019 -70.290 5.543 1.00 8.99 H new ATOM 0 HB2 ALA A 46 48.014 -72.066 5.667 1.00 8.99 H new ATOM 0 HB3 ALA A 46 49.335 -71.237 4.809 1.00 8.99 H new ATOM 748 N GLY A 47 47.421 -70.219 1.550 1.00 9.35 N ATOM 749 CA GLY A 47 47.565 -69.101 0.618 1.00 11.68 C ATOM 750 C GLY A 47 48.972 -68.924 0.041 1.00 11.14 C ATOM 751 O GLY A 47 49.192 -67.995 -0.736 1.00 13.93 O ATOM 0 H GLY A 47 47.064 -71.078 1.132 1.00 9.35 H new ATOM 0 HA2 GLY A 47 46.865 -69.240 -0.206 1.00 11.68 H new ATOM 0 HA3 GLY A 47 47.278 -68.181 1.128 1.00 11.68 H new ATOM 755 N LYS A 48 49.938 -69.776 0.417 1.00 10.47 N ATOM 756 CA LYS A 48 51.315 -69.631 -0.091 1.00 8.82 C ATOM 757 C LYS A 48 51.711 -70.793 -1.004 1.00 7.68 C ATOM 758 O LYS A 48 51.431 -71.951 -0.701 1.00 6.47 O ATOM 759 CB LYS A 48 52.298 -69.597 1.082 1.00 9.74 C ATOM 760 CG LYS A 48 51.832 -68.577 2.126 1.00 14.14 C ATOM 761 CD LYS A 48 52.814 -68.548 3.305 1.00 16.32 C ATOM 762 CE LYS A 48 52.712 -69.846 4.118 1.00 20.04 C ATOM 763 NZ LYS A 48 53.264 -69.616 5.484 1.00 23.92 N ATOM 0 H LYS A 48 49.799 -70.558 1.057 1.00 10.47 H new ATOM 0 HA LYS A 48 51.351 -68.703 -0.662 1.00 8.82 H new ATOM 0 HB2 LYS A 48 52.371 -70.586 1.535 1.00 9.74 H new ATOM 0 HB3 LYS A 48 53.294 -69.335 0.725 1.00 9.74 H new ATOM 0 HG2 LYS A 48 51.764 -67.587 1.674 1.00 14.14 H new ATOM 0 HG3 LYS A 48 50.834 -68.836 2.479 1.00 14.14 H new ATOM 0 HD2 LYS A 48 53.832 -68.422 2.936 1.00 16.32 H new ATOM 0 HD3 LYS A 48 52.599 -67.692 3.945 1.00 16.32 H new ATOM 0 HE2 LYS A 48 51.673 -70.168 4.183 1.00 20.04 H new ATOM 0 HE3 LYS A 48 53.262 -70.645 3.620 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 53.197 -70.494 6.038 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 54.261 -69.328 5.412 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 52.720 -68.866 5.956 1.00 23.92 H new ATOM 777 N GLN A 49 52.405 -70.477 -2.100 1.00 8.89 N ATOM 778 CA GLN A 49 52.874 -71.518 -3.014 1.00 7.18 C ATOM 779 C GLN A 49 54.120 -72.163 -2.412 1.00 8.23 C ATOM 780 O GLN A 49 55.053 -71.467 -2.010 1.00 9.70 O ATOM 781 CB GLN A 49 53.202 -70.922 -4.382 1.00 11.67 C ATOM 782 CG GLN A 49 51.912 -70.496 -5.082 1.00 15.82 C ATOM 783 CD GLN A 49 52.243 -69.681 -6.327 1.00 20.21 C ATOM 784 OE1 GLN A 49 53.389 -69.271 -6.514 1.00 23.23 O ATOM 785 NE2 GLN A 49 51.306 -69.426 -7.198 1.00 20.67 N ATOM 0 H GLN A 49 52.651 -69.525 -2.372 1.00 8.89 H new ATOM 0 HA GLN A 49 52.093 -72.266 -3.150 1.00 7.18 H new ATOM 0 HB2 GLN A 49 53.864 -70.064 -4.266 1.00 11.67 H new ATOM 0 HB3 GLN A 49 53.732 -71.654 -4.991 1.00 11.67 H new ATOM 0 HG2 GLN A 49 51.329 -71.375 -5.356 1.00 15.82 H new ATOM 0 HG3 GLN A 49 51.297 -69.905 -4.403 1.00 15.82 H new ATOM 0 HE21 GLN A 49 50.357 -69.767 -7.041 1.00 20.67 H new ATOM 0 HE22 GLN A 49 51.522 -68.886 -8.036 1.00 20.67 H new ATOM 794 N LEU A 50 54.132 -73.491 -2.344 1.00 6.51 N ATOM 795 CA LEU A 50 55.274 -74.209 -1.779 1.00 7.41 C ATOM 796 C LEU A 50 56.340 -74.479 -2.844 1.00 8.27 C ATOM 797 O LEU A 50 56.021 -74.856 -3.972 1.00 8.34 O ATOM 798 CB LEU A 50 54.802 -75.539 -1.186 1.00 7.13 C ATOM 799 CG LEU A 50 53.639 -75.296 -0.219 1.00 7.53 C ATOM 800 CD1 LEU A 50 53.127 -76.643 0.306 1.00 8.14 C ATOM 801 CD2 LEU A 50 54.108 -74.425 0.956 1.00 9.11 C ATOM 0 H LEU A 50 53.372 -74.089 -2.669 1.00 6.51 H new ATOM 0 HA LEU A 50 55.715 -73.587 -1.000 1.00 7.41 H new ATOM 0 HB2 LEU A 50 54.488 -76.212 -1.984 1.00 7.13 H new ATOM 0 HB3 LEU A 50 55.625 -76.026 -0.663 1.00 7.13 H new ATOM 0 HG LEU A 50 52.835 -74.779 -0.743 1.00 7.53 H new ATOM 0 HD11 LEU A 50 52.299 -76.474 0.995 1.00 8.14 H new ATOM 0 HD12 LEU A 50 52.785 -77.253 -0.530 1.00 8.14 H new ATOM 0 HD13 LEU A 50 53.933 -77.160 0.827 1.00 8.14 H new ATOM 0 HD21 LEU A 50 53.275 -74.257 1.639 1.00 9.11 H new ATOM 0 HD22 LEU A 50 54.915 -74.932 1.485 1.00 9.11 H new ATOM 0 HD23 LEU A 50 54.467 -73.467 0.579 1.00 9.11 H new ATOM 813 N GLU A 51 57.612 -74.271 -2.479 1.00 9.43 N ATOM 814 CA GLU A 51 58.713 -74.488 -3.432 1.00 11.90 C ATOM 815 C GLU A 51 59.248 -75.918 -3.358 1.00 11.49 C ATOM 816 O GLU A 51 59.169 -76.574 -2.321 1.00 9.88 O ATOM 817 CB GLU A 51 59.863 -73.491 -3.195 1.00 16.56 C ATOM 818 CG GLU A 51 59.431 -72.009 -3.399 1.00 26.06 C ATOM 819 CD GLU A 51 58.246 -71.865 -4.357 1.00 29.86 C ATOM 820 OE1 GLU A 51 58.383 -72.262 -5.503 1.00 32.13 O ATOM 821 OE2 GLU A 51 57.222 -71.359 -3.928 1.00 33.44 O ATOM 0 H GLU A 51 57.902 -73.960 -1.552 1.00 9.43 H new ATOM 0 HA GLU A 51 58.304 -74.323 -4.429 1.00 11.90 H new ATOM 0 HB2 GLU A 51 60.244 -73.617 -2.181 1.00 16.56 H new ATOM 0 HB3 GLU A 51 60.683 -73.722 -3.874 1.00 16.56 H new ATOM 0 HG2 GLU A 51 59.167 -71.576 -2.434 1.00 26.06 H new ATOM 0 HG3 GLU A 51 60.276 -71.438 -3.785 1.00 26.06 H new ATOM 828 N ASP A 52 59.748 -76.397 -4.503 1.00 12.71 N ATOM 829 CA ASP A 52 60.247 -77.768 -4.615 1.00 16.56 C ATOM 830 C ASP A 52 61.546 -78.019 -3.825 1.00 15.83 C ATOM 831 O ASP A 52 61.874 -79.170 -3.537 1.00 17.21 O ATOM 832 CB ASP A 52 60.458 -78.108 -6.092 1.00 21.05 C ATOM 833 CG ASP A 52 59.109 -78.178 -6.795 1.00 25.12 C ATOM 834 OD1 ASP A 52 58.120 -77.856 -6.161 1.00 28.37 O ATOM 835 OD2 ASP A 52 59.085 -78.554 -7.956 1.00 25.82 O ATOM 0 H ASP A 52 59.817 -75.854 -5.364 1.00 12.71 H new ATOM 0 HA ASP A 52 59.493 -78.418 -4.172 1.00 16.56 H new ATOM 0 HB2 ASP A 52 61.087 -77.353 -6.564 1.00 21.05 H new ATOM 0 HB3 ASP A 52 60.979 -79.061 -6.186 1.00 21.05 H new ATOM 840 N GLY A 53 62.289 -76.968 -3.484 1.00 15.00 N ATOM 841 CA GLY A 53 63.553 -77.138 -2.739 1.00 11.77 C ATOM 842 C GLY A 53 63.373 -76.996 -1.219 1.00 11.10 C ATOM 843 O GLY A 53 64.353 -77.042 -0.475 1.00 11.25 O ATOM 0 H GLY A 53 62.050 -76.001 -3.703 1.00 15.00 H new ATOM 0 HA2 GLY A 53 63.971 -78.120 -2.961 1.00 11.77 H new ATOM 0 HA3 GLY A 53 64.276 -76.399 -3.085 1.00 11.77 H new ATOM 847 N ARG A 54 62.140 -76.835 -0.761 1.00 8.53 N ATOM 848 CA ARG A 54 61.874 -76.701 0.688 1.00 9.05 C ATOM 849 C ARG A 54 61.138 -77.937 1.237 1.00 8.96 C ATOM 850 O ARG A 54 60.630 -78.754 0.469 1.00 11.60 O ATOM 851 CB ARG A 54 61.017 -75.459 0.921 1.00 7.97 C ATOM 852 CG ARG A 54 61.737 -74.167 0.490 1.00 9.62 C ATOM 853 CD ARG A 54 63.100 -74.021 1.178 1.00 12.20 C ATOM 854 NE ARG A 54 63.565 -72.643 1.071 1.00 18.23 N ATOM 855 CZ ARG A 54 64.585 -72.203 1.800 1.00 22.08 C ATOM 856 NH1 ARG A 54 65.783 -72.684 1.605 1.00 23.38 N ATOM 857 NH2 ARG A 54 64.388 -71.292 2.713 1.00 25.50 N ATOM 0 H ARG A 54 61.310 -76.793 -1.352 1.00 8.53 H new ATOM 0 HA ARG A 54 62.827 -76.612 1.210 1.00 9.05 H new ATOM 0 HB2 ARG A 54 60.083 -75.555 0.367 1.00 7.97 H new ATOM 0 HB3 ARG A 54 60.756 -75.393 1.977 1.00 7.97 H new ATOM 0 HG2 ARG A 54 61.874 -74.170 -0.591 1.00 9.62 H new ATOM 0 HG3 ARG A 54 61.114 -73.306 0.730 1.00 9.62 H new ATOM 0 HD2 ARG A 54 63.020 -74.307 2.227 1.00 12.20 H new ATOM 0 HD3 ARG A 54 63.823 -74.695 0.718 1.00 12.20 H new ATOM 0 HE ARG A 54 63.099 -72.006 0.425 1.00 18.23 H new ATOM 0 HH11 ARG A 54 65.936 -73.398 0.893 1.00 23.38 H new ATOM 0 HH12 ARG A 54 66.566 -72.346 2.165 1.00 23.38 H new ATOM 0 HH21 ARG A 54 63.452 -70.918 2.867 1.00 25.50 H new ATOM 0 HH22 ARG A 54 65.170 -70.954 3.273 1.00 25.50 H new ATOM 871 N THR A 55 61.089 -78.070 2.582 1.00 9.05 N ATOM 872 CA THR A 55 60.407 -79.210 3.232 1.00 9.03 C ATOM 873 C THR A 55 59.094 -78.795 3.898 1.00 8.15 C ATOM 874 O THR A 55 58.815 -77.612 4.091 1.00 5.91 O ATOM 875 CB THR A 55 61.266 -79.846 4.335 1.00 11.15 C ATOM 876 OG1 THR A 55 61.510 -78.896 5.362 1.00 11.95 O ATOM 877 CG2 THR A 55 62.598 -80.336 3.757 1.00 11.71 C ATOM 0 H THR A 55 61.510 -77.407 3.233 1.00 9.05 H new ATOM 0 HA THR A 55 60.224 -79.920 2.425 1.00 9.03 H new ATOM 0 HB THR A 55 60.728 -80.698 4.750 1.00 11.15 H new ATOM 0 HG1 THR A 55 61.139 -79.226 6.207 1.00 11.95 H new ATOM 0 HG21 THR A 55 63.196 -80.784 4.550 1.00 11.71 H new ATOM 0 HG22 THR A 55 62.407 -81.079 2.983 1.00 11.71 H new ATOM 0 HG23 THR A 55 63.140 -79.494 3.326 1.00 11.71 H new ATOM 885 N LEU A 56 58.308 -79.813 4.267 1.00 6.91 N ATOM 886 CA LEU A 56 57.023 -79.589 4.945 1.00 8.29 C ATOM 887 C LEU A 56 57.219 -78.844 6.266 1.00 8.05 C ATOM 888 O LEU A 56 56.432 -77.957 6.595 1.00 10.17 O ATOM 889 CB LEU A 56 56.328 -80.925 5.252 1.00 6.60 C ATOM 890 CG LEU A 56 56.006 -81.693 3.965 1.00 7.73 C ATOM 891 CD1 LEU A 56 55.504 -83.089 4.340 1.00 9.85 C ATOM 892 CD2 LEU A 56 54.915 -80.967 3.166 1.00 8.64 C ATOM 0 H LEU A 56 58.536 -80.795 4.109 1.00 6.91 H new ATOM 0 HA LEU A 56 56.408 -78.992 4.272 1.00 8.29 H new ATOM 0 HB2 LEU A 56 56.969 -81.533 5.890 1.00 6.60 H new ATOM 0 HB3 LEU A 56 55.409 -80.740 5.808 1.00 6.60 H new ATOM 0 HG LEU A 56 56.905 -81.760 3.353 1.00 7.73 H new ATOM 0 HD11 LEU A 56 55.271 -83.647 3.433 1.00 9.85 H new ATOM 0 HD12 LEU A 56 56.276 -83.615 4.901 1.00 9.85 H new ATOM 0 HD13 LEU A 56 54.607 -83.001 4.953 1.00 9.85 H new ATOM 0 HD21 LEU A 56 54.698 -81.526 2.255 1.00 8.64 H new ATOM 0 HD22 LEU A 56 54.011 -80.892 3.770 1.00 8.64 H new ATOM 0 HD23 LEU A 56 55.260 -79.967 2.905 1.00 8.64 H new ATOM 904 N SER A 57 58.244 -79.213 7.045 1.00 8.92 N ATOM 905 CA SER A 57 58.451 -78.551 8.334 1.00 9.00 C ATOM 906 C SER A 57 58.727 -77.057 8.173 1.00 9.44 C ATOM 907 O SER A 57 58.399 -76.263 9.054 1.00 10.91 O ATOM 908 CB SER A 57 59.585 -79.200 9.130 1.00 10.32 C ATOM 909 OG SER A 57 60.799 -79.071 8.402 1.00 13.59 O ATOM 0 H SER A 57 58.920 -79.941 6.815 1.00 8.92 H new ATOM 0 HA SER A 57 57.521 -78.672 8.889 1.00 9.00 H new ATOM 0 HB2 SER A 57 59.680 -78.724 10.106 1.00 10.32 H new ATOM 0 HB3 SER A 57 59.364 -80.252 9.309 1.00 10.32 H new ATOM 0 HG SER A 57 61.529 -79.484 8.908 1.00 13.59 H new ATOM 915 N ASP A 58 59.331 -76.680 7.061 1.00 9.11 N ATOM 916 CA ASP A 58 59.644 -75.273 6.825 1.00 7.91 C ATOM 917 C ASP A 58 58.368 -74.435 6.768 1.00 9.12 C ATOM 918 O ASP A 58 58.387 -73.246 7.084 1.00 8.61 O ATOM 919 CB ASP A 58 60.416 -75.118 5.511 1.00 8.41 C ATOM 920 CG ASP A 58 61.820 -75.695 5.654 1.00 11.50 C ATOM 921 OD1 ASP A 58 62.272 -75.833 6.779 1.00 10.05 O ATOM 922 OD2 ASP A 58 62.423 -75.993 4.636 1.00 11.70 O ATOM 0 H ASP A 58 59.613 -77.314 6.314 1.00 9.11 H new ATOM 0 HA ASP A 58 60.259 -74.919 7.652 1.00 7.91 H new ATOM 0 HB2 ASP A 58 59.886 -75.628 4.707 1.00 8.41 H new ATOM 0 HB3 ASP A 58 60.474 -74.065 5.237 1.00 8.41 H new ATOM 927 N TYR A 59 57.256 -75.057 6.360 1.00 7.97 N ATOM 928 CA TYR A 59 55.974 -74.345 6.264 1.00 8.45 C ATOM 929 C TYR A 59 55.085 -74.620 7.476 1.00 10.98 C ATOM 930 O TYR A 59 53.887 -74.343 7.444 1.00 12.95 O ATOM 931 CB TYR A 59 55.212 -74.755 5.004 1.00 7.94 C ATOM 932 CG TYR A 59 55.925 -74.225 3.792 1.00 6.91 C ATOM 933 CD1 TYR A 59 55.617 -72.953 3.291 1.00 6.98 C ATOM 934 CD2 TYR A 59 56.895 -75.007 3.168 1.00 4.59 C ATOM 935 CE1 TYR A 59 56.286 -72.467 2.162 1.00 6.52 C ATOM 936 CE2 TYR A 59 57.563 -74.524 2.043 1.00 5.39 C ATOM 937 CZ TYR A 59 57.261 -73.254 1.537 1.00 6.76 C ATOM 938 OH TYR A 59 57.922 -72.778 0.424 1.00 7.63 O ATOM 0 H TYR A 59 57.216 -76.041 6.093 1.00 7.97 H new ATOM 0 HA TYR A 59 56.211 -73.282 6.225 1.00 8.45 H new ATOM 0 HB2 TYR A 59 55.137 -75.841 4.949 1.00 7.94 H new ATOM 0 HB3 TYR A 59 54.194 -74.366 5.039 1.00 7.94 H new ATOM 0 HD1 TYR A 59 54.864 -72.349 3.776 1.00 6.98 H new ATOM 0 HD2 TYR A 59 57.130 -75.987 3.556 1.00 4.59 H new ATOM 0 HE1 TYR A 59 56.051 -71.487 1.774 1.00 6.52 H new ATOM 0 HE2 TYR A 59 58.315 -75.131 1.561 1.00 5.39 H new ATOM 0 HH TYR A 59 58.717 -73.326 0.257 1.00 7.63 H new ATOM 948 N ASN A 60 55.676 -75.162 8.544 1.00 12.38 N ATOM 949 CA ASN A 60 54.954 -75.471 9.775 1.00 13.94 C ATOM 950 C ASN A 60 53.678 -76.263 9.502 1.00 14.16 C ATOM 951 O ASN A 60 52.658 -76.060 10.160 1.00 14.26 O ATOM 952 CB ASN A 60 54.633 -74.190 10.555 1.00 19.23 C ATOM 953 CG ASN A 60 53.562 -73.377 9.834 1.00 22.65 C ATOM 954 OD1 ASN A 60 52.391 -73.755 9.825 1.00 25.45 O ATOM 955 ND2 ASN A 60 53.898 -72.277 9.219 1.00 24.09 N ATOM 0 H ASN A 60 56.668 -75.398 8.577 1.00 12.38 H new ATOM 0 HA ASN A 60 55.607 -76.097 10.383 1.00 13.94 H new ATOM 0 HB2 ASN A 60 54.290 -74.445 11.558 1.00 19.23 H new ATOM 0 HB3 ASN A 60 55.537 -73.591 10.669 1.00 19.23 H new ATOM 0 HD21 ASN A 60 53.190 -71.729 8.730 1.00 24.09 H new ATOM 0 HD22 ASN A 60 54.869 -71.964 9.227 1.00 24.09 H new ATOM 962 N ILE A 61 53.750 -77.190 8.551 1.00 11.08 N ATOM 963 CA ILE A 61 52.597 -78.028 8.230 1.00 11.78 C ATOM 964 C ILE A 61 52.538 -79.163 9.252 1.00 13.74 C ATOM 965 O ILE A 61 53.523 -79.872 9.456 1.00 14.60 O ATOM 966 CB ILE A 61 52.727 -78.535 6.786 1.00 11.80 C ATOM 967 CG1 ILE A 61 52.624 -77.333 5.844 1.00 11.56 C ATOM 968 CG2 ILE A 61 51.604 -79.521 6.465 1.00 13.29 C ATOM 969 CD1 ILE A 61 52.964 -77.744 4.409 1.00 11.42 C ATOM 0 H ILE A 61 54.584 -77.379 7.995 1.00 11.08 H new ATOM 0 HA ILE A 61 51.663 -77.470 8.288 1.00 11.78 H new ATOM 0 HB ILE A 61 53.684 -79.042 6.662 1.00 11.80 H new ATOM 0 HG12 ILE A 61 51.616 -76.920 5.881 1.00 11.56 H new ATOM 0 HG13 ILE A 61 53.303 -76.546 6.174 1.00 11.56 H new ATOM 0 HG21 ILE A 61 51.710 -79.871 5.438 1.00 13.29 H new ATOM 0 HG22 ILE A 61 51.660 -80.370 7.146 1.00 13.29 H new ATOM 0 HG23 ILE A 61 50.640 -79.025 6.582 1.00 13.29 H new ATOM 0 HD11 ILE A 61 52.885 -76.877 3.754 1.00 11.42 H new ATOM 0 HD12 ILE A 61 53.981 -78.134 4.374 1.00 11.42 H new ATOM 0 HD13 ILE A 61 52.268 -78.514 4.076 1.00 11.42 H new ATOM 981 N GLN A 62 51.392 -79.298 9.938 1.00 13.97 N ATOM 982 CA GLN A 62 51.221 -80.308 10.992 1.00 15.52 C ATOM 983 C GLN A 62 50.316 -81.460 10.546 1.00 13.94 C ATOM 984 O GLN A 62 49.679 -81.404 9.494 1.00 12.15 O ATOM 985 CB GLN A 62 50.618 -79.624 12.220 1.00 19.53 C ATOM 986 CG GLN A 62 51.658 -78.693 12.848 1.00 26.38 C ATOM 987 CD GLN A 62 51.035 -77.920 14.006 1.00 30.61 C ATOM 988 OE1 GLN A 62 50.737 -78.498 15.051 1.00 33.23 O ATOM 989 NE2 GLN A 62 50.816 -76.639 13.880 1.00 32.71 N ATOM 0 H GLN A 62 50.568 -78.718 9.780 1.00 13.97 H new ATOM 0 HA GLN A 62 52.196 -80.737 11.223 1.00 15.52 H new ATOM 0 HB2 GLN A 62 49.732 -79.057 11.935 1.00 19.53 H new ATOM 0 HB3 GLN A 62 50.298 -80.372 12.946 1.00 19.53 H new ATOM 0 HG2 GLN A 62 52.510 -79.273 13.204 1.00 26.38 H new ATOM 0 HG3 GLN A 62 52.036 -77.998 12.098 1.00 26.38 H new ATOM 0 HE21 GLN A 62 51.064 -76.162 13.013 1.00 32.71 H new ATOM 0 HE22 GLN A 62 50.397 -76.115 14.649 1.00 32.71 H new ATOM 998 N LYS A 63 50.303 -82.518 11.359 1.00 11.73 N ATOM 999 CA LYS A 63 49.501 -83.692 11.016 1.00 11.97 C ATOM 1000 C LYS A 63 48.054 -83.318 10.697 1.00 10.41 C ATOM 1001 O LYS A 63 47.467 -82.433 11.320 1.00 9.59 O ATOM 1002 CB LYS A 63 49.499 -84.751 12.123 1.00 13.73 C ATOM 1003 CG LYS A 63 48.928 -84.147 13.411 1.00 16.98 C ATOM 1004 CD LYS A 63 49.145 -85.111 14.595 1.00 20.19 C ATOM 1005 CE LYS A 63 50.536 -84.901 15.208 1.00 23.42 C ATOM 1006 NZ LYS A 63 50.711 -85.822 16.367 1.00 25.97 N ATOM 0 H LYS A 63 50.822 -82.587 12.234 1.00 11.73 H new ATOM 0 HA LYS A 63 49.975 -84.114 10.130 1.00 11.97 H new ATOM 0 HB2 LYS A 63 48.903 -85.611 11.817 1.00 13.73 H new ATOM 0 HB3 LYS A 63 50.513 -85.112 12.297 1.00 13.73 H new ATOM 0 HG2 LYS A 63 49.410 -83.192 13.618 1.00 16.98 H new ATOM 0 HG3 LYS A 63 47.864 -83.947 13.286 1.00 16.98 H new ATOM 0 HD2 LYS A 63 48.378 -84.946 15.352 1.00 20.19 H new ATOM 0 HD3 LYS A 63 49.042 -86.142 14.256 1.00 20.19 H new ATOM 0 HE2 LYS A 63 51.307 -85.089 14.461 1.00 23.42 H new ATOM 0 HE3 LYS A 63 50.651 -83.866 15.531 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 51.653 -85.681 16.783 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 49.983 -85.622 17.082 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 50.619 -86.807 16.045 1.00 25.97 H new ATOM 1020 N GLU A 64 47.505 -84.002 9.696 1.00 10.04 N ATOM 1021 CA GLU A 64 46.137 -83.774 9.226 1.00 10.94 C ATOM 1022 C GLU A 64 45.961 -82.409 8.575 1.00 9.74 C ATOM 1023 O GLU A 64 44.840 -81.915 8.460 1.00 9.42 O ATOM 1024 CB GLU A 64 45.063 -83.942 10.301 1.00 18.31 C ATOM 1025 CG GLU A 64 45.044 -85.397 10.776 1.00 24.16 C ATOM 1026 CD GLU A 64 43.822 -85.635 11.658 1.00 29.00 C ATOM 1027 OE1 GLU A 64 43.172 -84.666 12.010 1.00 31.72 O ATOM 1028 OE2 GLU A 64 43.555 -86.785 11.967 1.00 32.61 O ATOM 0 H GLU A 64 47.997 -84.734 9.184 1.00 10.04 H new ATOM 0 HA GLU A 64 45.993 -84.559 8.484 1.00 10.94 H new ATOM 0 HB2 GLU A 64 45.265 -83.276 11.140 1.00 18.31 H new ATOM 0 HB3 GLU A 64 44.087 -83.665 9.902 1.00 18.31 H new ATOM 0 HG2 GLU A 64 45.022 -86.069 9.918 1.00 24.16 H new ATOM 0 HG3 GLU A 64 45.955 -85.620 11.332 1.00 24.16 H new ATOM 1035 N SER A 65 47.044 -81.835 8.083 1.00 6.85 N ATOM 1036 CA SER A 65 46.970 -80.572 7.366 1.00 6.90 C ATOM 1037 C SER A 65 46.444 -80.854 5.967 1.00 4.72 C ATOM 1038 O SER A 65 46.676 -81.930 5.416 1.00 3.91 O ATOM 1039 CB SER A 65 48.350 -79.931 7.292 1.00 7.28 C ATOM 1040 OG SER A 65 48.714 -79.436 8.573 1.00 10.56 O ATOM 0 H SER A 65 47.984 -82.221 8.166 1.00 6.85 H new ATOM 0 HA SER A 65 46.304 -79.882 7.884 1.00 6.90 H new ATOM 0 HB2 SER A 65 49.084 -80.661 6.951 1.00 7.28 H new ATOM 0 HB3 SER A 65 48.347 -79.119 6.565 1.00 7.28 H new ATOM 0 HG SER A 65 48.818 -80.185 9.196 1.00 10.56 H new ATOM 1046 N THR A 66 45.738 -79.880 5.386 1.00 4.48 N ATOM 1047 CA THR A 66 45.186 -80.026 4.040 1.00 3.80 C ATOM 1048 C THR A 66 45.929 -79.104 3.073 1.00 4.60 C ATOM 1049 O THR A 66 46.009 -77.893 3.280 1.00 5.33 O ATOM 1050 CB THR A 66 43.697 -79.671 4.029 1.00 2.85 C ATOM 1051 OG1 THR A 66 42.997 -80.537 4.912 1.00 2.15 O ATOM 1052 CG2 THR A 66 43.144 -79.827 2.612 1.00 3.40 C ATOM 0 H THR A 66 45.536 -78.983 5.828 1.00 4.48 H new ATOM 0 HA THR A 66 45.307 -81.063 3.728 1.00 3.80 H new ATOM 0 HB THR A 66 43.567 -78.639 4.355 1.00 2.85 H new ATOM 0 HG1 THR A 66 42.044 -80.309 4.907 1.00 2.15 H new ATOM 0 HG21 THR A 66 42.084 -79.574 2.605 1.00 3.40 H new ATOM 0 HG22 THR A 66 43.680 -79.160 1.937 1.00 3.40 H new ATOM 0 HG23 THR A 66 43.273 -80.858 2.283 1.00 3.40 H new ATOM 1060 N LEU A 67 46.433 -79.699 1.997 1.00 4.17 N ATOM 1061 CA LEU A 67 47.138 -78.970 0.946 1.00 3.85 C ATOM 1062 C LEU A 67 46.194 -78.851 -0.245 1.00 3.80 C ATOM 1063 O LEU A 67 45.272 -79.648 -0.406 1.00 5.54 O ATOM 1064 CB LEU A 67 48.410 -79.750 0.541 1.00 7.18 C ATOM 1065 CG LEU A 67 49.629 -79.220 1.295 1.00 9.67 C ATOM 1066 CD1 LEU A 67 49.457 -79.432 2.801 1.00 8.12 C ATOM 1067 CD2 LEU A 67 50.883 -79.951 0.814 1.00 11.66 C ATOM 0 H LEU A 67 46.365 -80.703 1.828 1.00 4.17 H new ATOM 0 HA LEU A 67 47.437 -77.980 1.292 1.00 3.85 H new ATOM 0 HB2 LEU A 67 48.276 -80.810 0.755 1.00 7.18 H new ATOM 0 HB3 LEU A 67 48.572 -79.659 -0.533 1.00 7.18 H new ATOM 0 HG LEU A 67 49.729 -78.152 1.100 1.00 9.67 H new ATOM 0 HD11 LEU A 67 50.333 -79.050 3.325 1.00 8.12 H new ATOM 0 HD12 LEU A 67 48.569 -78.901 3.144 1.00 8.12 H new ATOM 0 HD13 LEU A 67 49.346 -80.496 3.008 1.00 8.12 H new ATOM 0 HD21 LEU A 67 51.753 -79.573 1.351 1.00 11.66 H new ATOM 0 HD22 LEU A 67 50.776 -81.019 1.002 1.00 11.66 H new ATOM 0 HD23 LEU A 67 51.015 -79.782 -0.255 1.00 11.66 H new ATOM 1079 N HIS A 68 46.439 -77.845 -1.087 1.00 2.94 N ATOM 1080 CA HIS A 68 45.626 -77.622 -2.280 1.00 4.17 C ATOM 1081 C HIS A 68 46.498 -77.825 -3.512 1.00 5.32 C ATOM 1082 O HIS A 68 47.604 -77.288 -3.596 1.00 7.70 O ATOM 1083 CB HIS A 68 45.067 -76.197 -2.277 1.00 5.57 C ATOM 1084 CG HIS A 68 44.043 -76.056 -1.185 1.00 9.95 C ATOM 1085 ND1 HIS A 68 44.384 -75.657 0.098 1.00 13.74 N ATOM 1086 CD2 HIS A 68 42.685 -76.250 -1.169 1.00 12.79 C ATOM 1087 CE1 HIS A 68 43.254 -75.625 0.826 1.00 14.75 C ATOM 1088 NE2 HIS A 68 42.188 -75.978 0.102 1.00 16.30 N ATOM 0 H HIS A 68 47.195 -77.172 -0.963 1.00 2.94 H new ATOM 0 HA HIS A 68 44.793 -78.325 -2.291 1.00 4.17 H new ATOM 0 HB2 HIS A 68 45.874 -75.480 -2.127 1.00 5.57 H new ATOM 0 HB3 HIS A 68 44.616 -75.971 -3.243 1.00 5.57 H new ATOM 0 HD2 HIS A 68 42.092 -76.566 -2.014 1.00 12.79 H new ATOM 0 HE1 HIS A 68 43.213 -75.348 1.869 1.00 14.75 H new ATOM 0 HE2 HIS A 68 41.219 -76.036 0.414 1.00 16.30 H new ATOM 1096 N LEU A 69 45.996 -78.602 -4.471 1.00 5.29 N ATOM 1097 CA LEU A 69 46.731 -78.877 -5.706 1.00 3.97 C ATOM 1098 C LEU A 69 46.100 -78.098 -6.853 1.00 5.07 C ATOM 1099 O LEU A 69 44.884 -78.135 -7.044 1.00 4.34 O ATOM 1100 CB LEU A 69 46.679 -80.385 -6.022 1.00 6.08 C ATOM 1101 CG LEU A 69 47.253 -80.711 -7.409 1.00 7.37 C ATOM 1102 CD1 LEU A 69 48.714 -80.280 -7.510 1.00 6.87 C ATOM 1103 CD2 LEU A 69 47.165 -82.221 -7.639 1.00 9.96 C ATOM 0 H LEU A 69 45.083 -79.053 -4.417 1.00 5.29 H new ATOM 0 HA LEU A 69 47.770 -78.572 -5.581 1.00 3.97 H new ATOM 0 HB2 LEU A 69 47.237 -80.932 -5.263 1.00 6.08 H new ATOM 0 HB3 LEU A 69 45.646 -80.730 -5.969 1.00 6.08 H new ATOM 0 HG LEU A 69 46.677 -80.172 -8.161 1.00 7.37 H new ATOM 0 HD11 LEU A 69 49.097 -80.522 -8.501 1.00 6.87 H new ATOM 0 HD12 LEU A 69 48.789 -79.205 -7.344 1.00 6.87 H new ATOM 0 HD13 LEU A 69 49.301 -80.805 -6.756 1.00 6.87 H new ATOM 0 HD21 LEU A 69 47.570 -82.464 -8.621 1.00 9.96 H new ATOM 0 HD22 LEU A 69 47.739 -82.740 -6.871 1.00 9.96 H new ATOM 0 HD23 LEU A 69 46.123 -82.537 -7.588 1.00 9.96 H new ATOM 1115 N VAL A 70 46.940 -77.402 -7.633 1.00 4.29 N ATOM 1116 CA VAL A 70 46.511 -76.617 -8.786 1.00 6.26 C ATOM 1117 C VAL A 70 47.225 -77.171 -10.014 1.00 9.22 C ATOM 1118 O VAL A 70 48.388 -77.564 -9.955 1.00 9.36 O ATOM 1119 CB VAL A 70 46.859 -75.143 -8.542 1.00 8.69 C ATOM 1120 CG1 VAL A 70 47.051 -74.378 -9.859 1.00 9.76 C ATOM 1121 CG2 VAL A 70 45.751 -74.472 -7.742 1.00 8.54 C ATOM 0 H VAL A 70 47.947 -77.372 -7.474 1.00 4.29 H new ATOM 0 HA VAL A 70 45.434 -76.682 -8.942 1.00 6.26 H new ATOM 0 HB VAL A 70 47.797 -75.118 -7.987 1.00 8.69 H new ATOM 0 HG11 VAL A 70 47.296 -73.338 -9.643 1.00 9.76 H new ATOM 0 HG12 VAL A 70 47.862 -74.832 -10.428 1.00 9.76 H new ATOM 0 HG13 VAL A 70 46.131 -74.420 -10.442 1.00 9.76 H new ATOM 0 HG21 VAL A 70 46.006 -73.426 -7.573 1.00 8.54 H new ATOM 0 HG22 VAL A 70 44.814 -74.532 -8.296 1.00 8.54 H new ATOM 0 HG23 VAL A 70 45.638 -74.977 -6.783 1.00 8.54 H new ATOM 1131 N LEU A 71 46.495 -77.213 -11.116 1.00 12.71 N ATOM 1132 CA LEU A 71 47.020 -77.738 -12.380 1.00 16.06 C ATOM 1133 C LEU A 71 47.367 -76.602 -13.338 1.00 18.09 C ATOM 1134 O LEU A 71 46.611 -75.640 -13.478 1.00 19.26 O ATOM 1135 CB LEU A 71 45.973 -78.644 -13.036 1.00 17.10 C ATOM 1136 CG LEU A 71 45.562 -79.762 -12.068 1.00 19.37 C ATOM 1137 CD1 LEU A 71 44.515 -80.653 -12.745 1.00 17.51 C ATOM 1138 CD2 LEU A 71 46.788 -80.608 -11.682 1.00 19.57 C ATOM 0 H LEU A 71 45.529 -76.889 -11.167 1.00 12.71 H new ATOM 0 HA LEU A 71 47.925 -78.306 -12.165 1.00 16.06 H new ATOM 0 HB2 LEU A 71 45.099 -78.057 -13.318 1.00 17.10 H new ATOM 0 HB3 LEU A 71 46.377 -79.076 -13.952 1.00 17.10 H new ATOM 0 HG LEU A 71 45.143 -79.319 -11.165 1.00 19.37 H new ATOM 0 HD11 LEU A 71 44.219 -81.449 -12.062 1.00 17.51 H new ATOM 0 HD12 LEU A 71 43.642 -80.055 -13.005 1.00 17.51 H new ATOM 0 HD13 LEU A 71 44.939 -81.089 -13.650 1.00 17.51 H new ATOM 0 HD21 LEU A 71 46.484 -81.398 -10.995 1.00 19.57 H new ATOM 0 HD22 LEU A 71 47.220 -81.053 -12.578 1.00 19.57 H new ATOM 0 HD23 LEU A 71 47.531 -79.973 -11.199 1.00 19.57 H new ATOM 1150 N ARG A 72 48.517 -76.728 -14.001 1.00 21.47 N ATOM 1151 CA ARG A 72 48.977 -75.719 -14.960 1.00 25.83 C ATOM 1152 C ARG A 72 49.139 -76.342 -16.342 1.00 27.74 C ATOM 1153 O ARG A 72 49.706 -77.425 -16.481 1.00 30.65 O ATOM 1154 CB ARG A 72 50.326 -75.153 -14.504 1.00 28.49 C ATOM 1155 CG ARG A 72 50.830 -74.124 -15.523 1.00 31.79 C ATOM 1156 CD ARG A 72 52.097 -73.456 -14.988 1.00 34.05 C ATOM 1157 NE ARG A 72 52.718 -72.643 -16.029 1.00 35.08 N ATOM 1158 CZ ARG A 72 53.690 -71.784 -15.742 1.00 34.67 C ATOM 1159 NH1 ARG A 72 54.655 -72.135 -14.936 1.00 35.02 N ATOM 1160 NH2 ARG A 72 53.681 -70.589 -16.267 1.00 34.97 N ATOM 0 H ARG A 72 49.150 -77.521 -13.892 1.00 21.47 H new ATOM 0 HA ARG A 72 48.238 -74.920 -15.010 1.00 25.83 H new ATOM 0 HB2 ARG A 72 50.222 -74.687 -13.524 1.00 28.49 H new ATOM 0 HB3 ARG A 72 51.052 -75.959 -14.399 1.00 28.49 H new ATOM 0 HG2 ARG A 72 51.037 -74.611 -16.476 1.00 31.79 H new ATOM 0 HG3 ARG A 72 50.061 -73.374 -15.709 1.00 31.79 H new ATOM 0 HD2 ARG A 72 51.852 -72.833 -14.128 1.00 34.05 H new ATOM 0 HD3 ARG A 72 52.799 -74.215 -14.643 1.00 34.05 H new ATOM 0 HE ARG A 72 52.400 -72.736 -16.994 1.00 35.08 H new ATOM 0 HH11 ARG A 72 54.663 -73.069 -14.526 1.00 35.02 H new ATOM 0 HH12 ARG A 72 55.401 -71.475 -14.716 1.00 35.02 H new ATOM 0 HH21 ARG A 72 52.928 -70.315 -16.898 1.00 34.97 H new ATOM 0 HH22 ARG A 72 54.427 -69.930 -16.047 1.00 34.97 H new ATOM 1174 N LEU A 73 48.647 -75.642 -17.365 0.45 28.93 N ATOM 1175 CA LEU A 73 48.750 -76.122 -18.747 0.45 30.76 C ATOM 1176 C LEU A 73 49.532 -75.122 -19.592 0.45 32.18 C ATOM 1177 O LEU A 73 49.367 -73.911 -19.448 0.45 32.31 O ATOM 1178 CB LEU A 73 47.351 -76.311 -19.342 0.45 30.53 C ATOM 1179 CG LEU A 73 46.563 -77.337 -18.517 0.45 30.16 C ATOM 1180 CD1 LEU A 73 45.132 -77.423 -19.057 0.45 29.57 C ATOM 1181 CD2 LEU A 73 47.232 -78.722 -18.607 0.45 29.11 C ATOM 0 H LEU A 73 48.174 -74.744 -17.265 0.45 28.93 H new ATOM 0 HA LEU A 73 49.273 -77.078 -18.747 0.45 30.76 H new ATOM 0 HB2 LEU A 73 46.821 -75.359 -19.355 0.45 30.53 H new ATOM 0 HB3 LEU A 73 47.429 -76.647 -20.376 0.45 30.53 H new ATOM 0 HG LEU A 73 46.548 -77.022 -17.474 0.45 30.16 H new ATOM 0 HD11 LEU A 73 44.567 -78.151 -18.475 0.45 29.57 H new ATOM 0 HD12 LEU A 73 44.654 -76.446 -18.979 0.45 29.57 H new ATOM 0 HD13 LEU A 73 45.155 -77.733 -20.102 0.45 29.57 H new ATOM 0 HD21 LEU A 73 46.663 -79.440 -18.017 0.45 29.11 H new ATOM 0 HD22 LEU A 73 47.258 -79.047 -19.647 0.45 29.11 H new ATOM 0 HD23 LEU A 73 48.249 -78.660 -18.220 0.45 29.11 H new ATOM 1193 N ARG A 74 50.384 -75.640 -20.477 0.45 33.82 N ATOM 1194 CA ARG A 74 51.196 -74.791 -21.353 0.45 35.33 C ATOM 1195 C ARG A 74 51.033 -75.227 -22.806 0.45 36.22 C ATOM 1196 O ARG A 74 51.170 -76.407 -23.130 0.45 36.70 O ATOM 1197 CB ARG A 74 52.669 -74.894 -20.940 0.45 36.91 C ATOM 1198 CG ARG A 74 53.534 -74.013 -21.846 0.45 38.62 C ATOM 1199 CD ARG A 74 54.985 -74.060 -21.363 0.45 39.75 C ATOM 1200 NE ARG A 74 55.119 -73.330 -20.099 0.45 41.13 N ATOM 1201 CZ ARG A 74 55.732 -73.862 -19.041 0.45 41.91 C ATOM 1202 NH1 ARG A 74 56.798 -74.597 -19.206 0.45 41.93 N ATOM 1203 NH2 ARG A 74 55.264 -73.649 -17.841 0.45 42.75 N ATOM 0 H ARG A 74 50.531 -76.641 -20.607 0.45 33.82 H new ATOM 0 HA ARG A 74 50.864 -73.757 -21.259 0.45 35.33 H new ATOM 0 HB2 ARG A 74 52.786 -74.585 -19.901 0.45 36.91 H new ATOM 0 HB3 ARG A 74 53.001 -75.930 -21.004 0.45 36.91 H new ATOM 0 HG2 ARG A 74 53.471 -74.360 -22.877 0.45 38.62 H new ATOM 0 HG3 ARG A 74 53.167 -72.987 -21.832 0.45 38.62 H new ATOM 0 HD2 ARG A 74 55.298 -75.095 -21.229 0.45 39.75 H new ATOM 0 HD3 ARG A 74 55.641 -73.623 -22.116 0.45 39.75 H new ATOM 0 HE ARG A 74 54.733 -72.389 -20.027 0.45 41.13 H new ATOM 0 HH11 ARG A 74 57.162 -74.764 -20.144 0.45 41.93 H new ATOM 0 HH12 ARG A 74 57.267 -75.004 -18.397 0.45 41.93 H new ATOM 0 HH21 ARG A 74 54.430 -73.076 -17.713 0.45 42.75 H new ATOM 0 HH22 ARG A 74 55.732 -74.056 -17.031 0.45 42.75 H new ATOM 1217 N GLY A 75 50.740 -74.264 -23.677 0.25 36.31 N ATOM 1218 CA GLY A 75 50.556 -74.545 -25.101 0.25 36.07 C ATOM 1219 C GLY A 75 51.853 -74.325 -25.871 0.25 36.16 C ATOM 1220 O GLY A 75 52.883 -73.988 -25.288 0.25 36.26 O ATOM 0 H GLY A 75 50.625 -73.283 -23.423 0.25 36.31 H new ATOM 0 HA2 GLY A 75 50.220 -75.574 -25.232 0.25 36.07 H new ATOM 0 HA3 GLY A 75 49.775 -73.901 -25.505 0.25 36.07 H new ATOM 1224 N GLY A 76 51.795 -74.515 -27.185 0.25 36.05 N ATOM 1225 CA GLY A 76 52.971 -74.330 -28.025 0.25 36.19 C ATOM 1226 C GLY A 76 53.506 -72.907 -27.905 0.25 36.20 C ATOM 1227 O GLY A 76 54.525 -72.625 -28.512 1.00 0.00 O ATOM 1228 OXT GLY A 76 52.887 -72.121 -27.207 1.00 0.00 O ATOM 0 H GLY A 76 50.953 -74.795 -27.688 0.25 36.05 H new ATOM 0 HA2 GLY A 76 53.746 -75.040 -27.735 0.25 36.19 H new ATOM 0 HA3 GLY A 76 52.718 -74.541 -29.064 0.25 36.19 H new TER 1232 GLY A 76