USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 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 123:sc= 0.181 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.18 USER MOD Set 2.1: A 22 THR OG1 : rot -68:sc= 0.994 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.0718! C(o=1.1!,f=-5.2!) USER MOD Set 3.1: A 7 THR OG1 : rot 127:sc= 0.333 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.125 USER MOD Single : A 1 MET CE :methyl -166:sc= 0 (180deg=-0.154) USER MOD Single : A 1 MET N :NH3+ 151:sc= 0.804 (180deg=-0.271) USER MOD Single : A 2 GLN : amide:sc= -0.0128 K(o=-0.013,f=-1.7!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -177:sc= -1.14 (180deg=-1.16) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0121 USER MOD Single : A 14 THR OG1 : rot -64:sc= 1.06 USER MOD Single : A 20 SER OG : rot -45:sc= 0.0198 USER MOD Single : A 27 LYS NZ :NH3+ 177:sc= -1.7 (180deg=-2.09!) USER MOD Single : A 29 LYS NZ :NH3+ 154:sc= -0.177 (180deg=-0.883) USER MOD Single : A 31 GLN : amide:sc= -0.915 K(o=-0.91,f=-3!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.399 K(o=-0.4,f=-2.4) USER MOD Single : A 41 GLN : amide:sc= -1.58 K(o=-1.6,f=-8.4!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc=-0.00792 K(o=-0.0079,f=-1) USER MOD Single : A 59 TYR OH : rot 165:sc= 0.125 USER MOD Single : A 60 ASN : amide:sc= -0.0511 K(o=-0.051,f=-1.8!) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 73:sc= 0.865 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=-0.02) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 52.860 -87.633 9.893 1.00 9.67 N ATOM 2 CA MET A 1 51.639 -86.791 10.042 1.00 10.38 C ATOM 3 C MET A 1 50.836 -86.822 8.749 1.00 9.62 C ATOM 4 O MET A 1 51.381 -87.059 7.671 1.00 9.62 O ATOM 5 CB MET A 1 52.051 -85.353 10.371 1.00 13.77 C ATOM 6 CG MET A 1 52.971 -84.809 9.279 1.00 16.29 C ATOM 7 SD MET A 1 53.676 -83.234 9.829 1.00 17.17 S ATOM 8 CE MET A 1 53.745 -82.427 8.211 1.00 16.11 C ATOM 0 H1 MET A 1 53.615 -87.260 10.503 1.00 9.67 H new ATOM 0 H2 MET A 1 52.643 -88.612 10.170 1.00 9.67 H new ATOM 0 H3 MET A 1 53.175 -87.615 8.902 1.00 9.67 H new ATOM 0 HA MET A 1 51.021 -87.181 10.851 1.00 10.38 H new ATOM 0 HB2 MET A 1 51.165 -84.723 10.459 1.00 13.77 H new ATOM 0 HB3 MET A 1 52.560 -85.323 11.335 1.00 13.77 H new ATOM 0 HG2 MET A 1 53.766 -85.523 9.067 1.00 16.29 H new ATOM 0 HG3 MET A 1 52.413 -84.669 8.353 1.00 16.29 H new ATOM 0 HE1 MET A 1 54.374 -81.539 8.274 1.00 16.11 H new ATOM 0 HE2 MET A 1 54.163 -83.117 7.478 1.00 16.11 H new ATOM 0 HE3 MET A 1 52.739 -82.138 7.905 1.00 16.11 H new ATOM 20 N GLN A 2 49.530 -86.590 8.866 1.00 9.27 N ATOM 21 CA GLN A 2 48.640 -86.598 7.704 1.00 9.07 C ATOM 22 C GLN A 2 48.377 -85.177 7.228 1.00 8.72 C ATOM 23 O GLN A 2 48.192 -84.258 8.029 1.00 8.22 O ATOM 24 CB GLN A 2 47.311 -87.259 8.078 1.00 14.46 C ATOM 25 CG GLN A 2 47.527 -88.758 8.292 1.00 17.01 C ATOM 26 CD GLN A 2 46.274 -89.385 8.894 1.00 20.10 C ATOM 27 OE1 GLN A 2 45.420 -88.678 9.428 1.00 21.89 O ATOM 28 NE2 GLN A 2 46.110 -90.679 8.836 1.00 19.49 N ATOM 0 H GLN A 2 49.064 -86.394 9.752 1.00 9.27 H new ATOM 0 HA GLN A 2 49.119 -87.159 6.902 1.00 9.07 H new ATOM 0 HB2 GLN A 2 46.910 -86.806 8.985 1.00 14.46 H new ATOM 0 HB3 GLN A 2 46.577 -87.096 7.289 1.00 14.46 H new ATOM 0 HG2 GLN A 2 47.764 -89.239 7.343 1.00 17.01 H new ATOM 0 HG3 GLN A 2 48.378 -88.920 8.953 1.00 17.01 H new ATOM 0 HE21 GLN A 2 46.819 -91.264 8.393 1.00 19.49 H new ATOM 0 HE22 GLN A 2 45.273 -91.105 9.234 1.00 19.49 H new ATOM 37 N ILE A 3 48.336 -85.020 5.901 1.00 5.87 N ATOM 38 CA ILE A 3 48.064 -83.728 5.275 1.00 5.07 C ATOM 39 C ILE A 3 46.965 -83.892 4.225 1.00 4.01 C ATOM 40 O ILE A 3 46.614 -85.014 3.850 1.00 4.61 O ATOM 41 CB ILE A 3 49.339 -83.136 4.659 1.00 6.55 C ATOM 42 CG1 ILE A 3 49.868 -84.007 3.512 1.00 4.72 C ATOM 43 CG2 ILE A 3 50.418 -83.031 5.742 1.00 5.58 C ATOM 44 CD1 ILE A 3 50.904 -83.203 2.724 1.00 10.83 C ATOM 0 H ILE A 3 48.489 -85.780 5.238 1.00 5.87 H new ATOM 0 HA ILE A 3 47.720 -83.029 6.037 1.00 5.07 H new ATOM 0 HB ILE A 3 49.096 -82.152 4.258 1.00 6.55 H new ATOM 0 HG12 ILE A 3 50.317 -84.919 3.906 1.00 4.72 H new ATOM 0 HG13 ILE A 3 49.049 -84.311 2.860 1.00 4.72 H new ATOM 0 HG21 ILE A 3 51.327 -82.611 5.311 1.00 5.58 H new ATOM 0 HG22 ILE A 3 50.065 -82.384 6.546 1.00 5.58 H new ATOM 0 HG23 ILE A 3 50.631 -84.023 6.141 1.00 5.58 H new ATOM 0 HD11 ILE A 3 51.289 -83.810 1.905 1.00 10.83 H new ATOM 0 HD12 ILE A 3 50.437 -82.304 2.321 1.00 10.83 H new ATOM 0 HD13 ILE A 3 51.725 -82.921 3.384 1.00 10.83 H new ATOM 56 N PHE A 4 46.433 -82.762 3.746 1.00 4.55 N ATOM 57 CA PHE A 4 45.374 -82.787 2.725 1.00 4.68 C ATOM 58 C PHE A 4 45.774 -81.976 1.497 1.00 5.30 C ATOM 59 O PHE A 4 46.297 -80.880 1.624 1.00 5.58 O ATOM 60 CB PHE A 4 44.090 -82.188 3.297 1.00 4.83 C ATOM 61 CG PHE A 4 43.635 -82.985 4.495 1.00 7.97 C ATOM 62 CD1 PHE A 4 42.940 -84.188 4.314 1.00 6.69 C ATOM 63 CD2 PHE A 4 43.903 -82.519 5.787 1.00 8.34 C ATOM 64 CE1 PHE A 4 42.514 -84.923 5.427 1.00 9.10 C ATOM 65 CE2 PHE A 4 43.478 -83.253 6.898 1.00 10.61 C ATOM 66 CZ PHE A 4 42.783 -84.455 6.719 1.00 8.90 C ATOM 0 H PHE A 4 46.713 -81.827 4.043 1.00 4.55 H new ATOM 0 HA PHE A 4 45.217 -83.826 2.434 1.00 4.68 H new ATOM 0 HB2 PHE A 4 44.260 -81.150 3.584 1.00 4.83 H new ATOM 0 HB3 PHE A 4 43.310 -82.184 2.535 1.00 4.83 H new ATOM 0 HD1 PHE A 4 42.733 -84.548 3.317 1.00 6.69 H new ATOM 0 HD2 PHE A 4 44.439 -81.592 5.926 1.00 8.34 H new ATOM 0 HE1 PHE A 4 41.978 -85.850 5.289 1.00 9.10 H new ATOM 0 HE2 PHE A 4 43.686 -82.893 7.895 1.00 10.61 H new ATOM 0 HZ PHE A 4 42.454 -85.022 7.578 1.00 8.90 H new ATOM 76 N VAL A 5 45.470 -82.501 0.304 1.00 4.44 N ATOM 77 CA VAL A 5 45.748 -81.781 -0.949 1.00 3.87 C ATOM 78 C VAL A 5 44.432 -81.599 -1.700 1.00 4.93 C ATOM 79 O VAL A 5 43.748 -82.575 -2.002 1.00 6.84 O ATOM 80 CB VAL A 5 46.731 -82.555 -1.839 1.00 2.99 C ATOM 81 CG1 VAL A 5 47.046 -81.716 -3.087 1.00 5.28 C ATOM 82 CG2 VAL A 5 48.037 -82.807 -1.079 1.00 9.13 C ATOM 0 H VAL A 5 45.035 -83.415 0.178 1.00 4.44 H new ATOM 0 HA VAL A 5 46.200 -80.819 -0.707 1.00 3.87 H new ATOM 0 HB VAL A 5 46.282 -83.507 -2.122 1.00 2.99 H new ATOM 0 HG11 VAL A 5 47.744 -82.259 -3.724 1.00 5.28 H new ATOM 0 HG12 VAL A 5 46.125 -81.524 -3.638 1.00 5.28 H new ATOM 0 HG13 VAL A 5 47.493 -80.769 -2.785 1.00 5.28 H new ATOM 0 HG21 VAL A 5 48.729 -83.357 -1.717 1.00 9.13 H new ATOM 0 HG22 VAL A 5 48.483 -81.854 -0.796 1.00 9.13 H new ATOM 0 HG23 VAL A 5 47.829 -83.390 -0.182 1.00 9.13 H new ATOM 92 N LYS A 6 44.086 -80.354 -2.025 1.00 6.04 N ATOM 93 CA LYS A 6 42.850 -80.081 -2.772 1.00 6.12 C ATOM 94 C LYS A 6 43.155 -79.860 -4.252 1.00 6.57 C ATOM 95 O LYS A 6 44.169 -79.254 -4.605 1.00 5.76 O ATOM 96 CB LYS A 6 42.118 -78.851 -2.199 1.00 7.45 C ATOM 97 CG LYS A 6 41.147 -79.291 -1.094 1.00 11.12 C ATOM 98 CD LYS A 6 40.427 -78.071 -0.534 1.00 14.54 C ATOM 99 CE LYS A 6 39.447 -78.506 0.558 1.00 18.84 C ATOM 100 NZ LYS A 6 38.884 -77.300 1.229 1.00 20.55 N ATOM 0 H LYS A 6 44.633 -79.526 -1.789 1.00 6.04 H new ATOM 0 HA LYS A 6 42.200 -80.950 -2.670 1.00 6.12 H new ATOM 0 HB2 LYS A 6 42.841 -78.140 -1.799 1.00 7.45 H new ATOM 0 HB3 LYS A 6 41.573 -78.339 -2.992 1.00 7.45 H new ATOM 0 HG2 LYS A 6 40.424 -80.002 -1.493 1.00 11.12 H new ATOM 0 HG3 LYS A 6 41.691 -79.802 -0.299 1.00 11.12 H new ATOM 0 HD2 LYS A 6 41.151 -77.365 -0.126 1.00 14.54 H new ATOM 0 HD3 LYS A 6 39.892 -77.555 -1.331 1.00 14.54 H new ATOM 0 HE2 LYS A 6 38.644 -79.102 0.125 1.00 18.84 H new ATOM 0 HE3 LYS A 6 39.955 -79.137 1.287 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 38.218 -77.595 1.971 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 39.655 -76.748 1.655 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 38.385 -76.714 0.529 1.00 20.55 H new ATOM 114 N THR A 7 42.256 -80.352 -5.119 1.00 7.41 N ATOM 115 CA THR A 7 42.421 -80.202 -6.565 1.00 7.48 C ATOM 116 C THR A 7 41.521 -79.092 -7.106 1.00 8.75 C ATOM 117 O THR A 7 40.597 -78.620 -6.444 1.00 8.58 O ATOM 118 CB THR A 7 42.084 -81.506 -7.288 1.00 9.61 C ATOM 119 OG1 THR A 7 40.685 -81.740 -7.229 1.00 11.78 O ATOM 120 CG2 THR A 7 42.832 -82.681 -6.656 1.00 9.17 C ATOM 0 H THR A 7 41.413 -80.854 -4.841 1.00 7.41 H new ATOM 0 HA THR A 7 43.464 -79.943 -6.747 1.00 7.48 H new ATOM 0 HB THR A 7 42.394 -81.416 -8.329 1.00 9.61 H new ATOM 0 HG1 THR A 7 40.341 -81.895 -8.133 1.00 11.78 H new ATOM 0 HG21 THR A 7 42.579 -83.600 -7.185 1.00 9.17 H new ATOM 0 HG22 THR A 7 43.906 -82.507 -6.724 1.00 9.17 H new ATOM 0 HG23 THR A 7 42.545 -82.774 -5.609 1.00 9.17 H new ATOM 128 N LEU A 8 41.830 -78.710 -8.318 1.00 9.84 N ATOM 129 CA LEU A 8 41.074 -77.659 -8.998 1.00 14.15 C ATOM 130 C LEU A 8 39.627 -78.083 -9.232 1.00 17.37 C ATOM 131 O LEU A 8 38.768 -77.239 -9.487 1.00 17.01 O ATOM 132 CB LEU A 8 41.712 -77.335 -10.352 1.00 16.63 C ATOM 133 CG LEU A 8 43.152 -76.863 -10.155 1.00 18.88 C ATOM 134 CD1 LEU A 8 43.793 -76.621 -11.525 1.00 19.31 C ATOM 135 CD2 LEU A 8 43.184 -75.562 -9.329 1.00 18.59 C ATOM 0 H LEU A 8 42.597 -79.103 -8.864 1.00 9.84 H new ATOM 0 HA LEU A 8 41.091 -76.778 -8.356 1.00 14.15 H new ATOM 0 HB2 LEU A 8 41.695 -78.218 -10.991 1.00 16.63 H new ATOM 0 HB3 LEU A 8 41.134 -76.563 -10.859 1.00 16.63 H new ATOM 0 HG LEU A 8 43.708 -77.630 -9.616 1.00 18.88 H new ATOM 0 HD11 LEU A 8 44.821 -76.284 -11.391 1.00 19.31 H new ATOM 0 HD12 LEU A 8 43.787 -77.548 -12.098 1.00 19.31 H new ATOM 0 HD13 LEU A 8 43.228 -75.859 -12.061 1.00 19.31 H new ATOM 0 HD21 LEU A 8 44.217 -75.240 -9.198 1.00 18.59 H new ATOM 0 HD22 LEU A 8 42.625 -74.786 -9.851 1.00 18.59 H new ATOM 0 HD23 LEU A 8 42.733 -75.740 -8.353 1.00 18.59 H new ATOM 147 N THR A 9 39.352 -79.391 -9.170 1.00 18.33 N ATOM 148 CA THR A 9 37.991 -79.884 -9.409 1.00 19.24 C ATOM 149 C THR A 9 37.201 -80.050 -8.112 1.00 19.48 C ATOM 150 O THR A 9 36.040 -80.458 -8.134 1.00 23.14 O ATOM 151 CB THR A 9 38.007 -81.186 -10.215 1.00 18.97 C ATOM 152 OG1 THR A 9 38.586 -82.216 -9.426 1.00 20.24 O ATOM 153 CG2 THR A 9 38.832 -80.997 -11.489 1.00 19.70 C ATOM 0 H THR A 9 40.039 -80.115 -8.961 1.00 18.33 H new ATOM 0 HA THR A 9 37.478 -79.125 -10.000 1.00 19.24 H new ATOM 0 HB THR A 9 36.987 -81.457 -10.486 1.00 18.97 H new ATOM 0 HG1 THR A 9 38.597 -83.052 -9.937 1.00 20.24 H new ATOM 0 HG21 THR A 9 38.840 -81.926 -12.059 1.00 19.70 H new ATOM 0 HG22 THR A 9 38.391 -80.205 -12.094 1.00 19.70 H new ATOM 0 HG23 THR A 9 39.854 -80.725 -11.224 1.00 19.70 H new ATOM 161 N GLY A 10 37.816 -79.685 -6.986 1.00 19.43 N ATOM 162 CA GLY A 10 37.132 -79.750 -5.693 1.00 18.74 C ATOM 163 C GLY A 10 37.345 -81.068 -4.954 1.00 17.62 C ATOM 164 O GLY A 10 36.642 -81.370 -3.990 1.00 19.74 O ATOM 0 H GLY A 10 38.777 -79.345 -6.942 1.00 19.43 H new ATOM 0 HA2 GLY A 10 37.482 -78.931 -5.065 1.00 18.74 H new ATOM 0 HA3 GLY A 10 36.064 -79.599 -5.849 1.00 18.74 H new ATOM 168 N LYS A 11 38.324 -81.844 -5.409 1.00 13.56 N ATOM 169 CA LYS A 11 38.612 -83.126 -4.762 1.00 11.91 C ATOM 170 C LYS A 11 39.645 -82.936 -3.655 1.00 10.18 C ATOM 171 O LYS A 11 40.579 -82.160 -3.823 1.00 9.10 O ATOM 172 CB LYS A 11 39.179 -84.128 -5.770 1.00 13.43 C ATOM 173 CG LYS A 11 39.240 -85.520 -5.140 1.00 16.69 C ATOM 174 CD LYS A 11 39.807 -86.513 -6.156 1.00 17.92 C ATOM 175 CE LYS A 11 39.872 -87.906 -5.527 1.00 20.81 C ATOM 176 NZ LYS A 11 40.844 -87.896 -4.398 1.00 21.93 N ATOM 0 H LYS A 11 38.921 -81.618 -6.205 1.00 13.56 H new ATOM 0 HA LYS A 11 37.677 -83.505 -4.350 1.00 11.91 H new ATOM 0 HB2 LYS A 11 38.556 -84.151 -6.664 1.00 13.43 H new ATOM 0 HB3 LYS A 11 40.175 -83.817 -6.084 1.00 13.43 H new ATOM 0 HG2 LYS A 11 39.865 -85.500 -4.247 1.00 16.69 H new ATOM 0 HG3 LYS A 11 38.244 -85.833 -4.826 1.00 16.69 H new ATOM 0 HD2 LYS A 11 39.181 -86.534 -7.048 1.00 17.92 H new ATOM 0 HD3 LYS A 11 40.802 -86.198 -6.472 1.00 17.92 H new ATOM 0 HE2 LYS A 11 38.886 -88.202 -5.169 1.00 20.81 H new ATOM 0 HE3 LYS A 11 40.173 -88.640 -6.274 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 40.927 -88.854 -4.003 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 41.774 -87.582 -4.743 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 40.511 -87.244 -3.659 1.00 21.93 H new ATOM 190 N THR A 12 39.506 -83.667 -2.542 1.00 9.63 N ATOM 191 CA THR A 12 40.490 -83.565 -1.448 1.00 9.85 C ATOM 192 C THR A 12 41.163 -84.925 -1.268 1.00 11.66 C ATOM 193 O THR A 12 40.482 -85.936 -1.096 1.00 12.33 O ATOM 194 CB THR A 12 39.813 -83.145 -0.138 1.00 10.85 C ATOM 195 OG1 THR A 12 39.193 -81.878 -0.315 1.00 10.91 O ATOM 196 CG2 THR A 12 40.880 -83.032 0.956 1.00 9.63 C ATOM 0 H THR A 12 38.742 -84.322 -2.373 1.00 9.63 H new ATOM 0 HA THR A 12 41.230 -82.806 -1.703 1.00 9.85 H new ATOM 0 HB THR A 12 39.063 -83.884 0.145 1.00 10.85 H new ATOM 0 HG1 THR A 12 38.758 -81.607 0.520 1.00 10.91 H new ATOM 0 HG21 THR A 12 40.410 -82.734 1.893 1.00 9.63 H new ATOM 0 HG22 THR A 12 41.370 -83.997 1.087 1.00 9.63 H new ATOM 0 HG23 THR A 12 41.620 -82.285 0.667 1.00 9.63 H new ATOM 204 N ILE A 13 42.500 -84.949 -1.279 1.00 10.42 N ATOM 205 CA ILE A 13 43.242 -86.203 -1.083 1.00 11.84 C ATOM 206 C ILE A 13 43.978 -86.165 0.251 1.00 10.55 C ATOM 207 O ILE A 13 44.552 -85.144 0.623 1.00 11.92 O ATOM 208 CB ILE A 13 44.279 -86.439 -2.198 1.00 14.86 C ATOM 209 CG1 ILE A 13 43.694 -85.962 -3.529 1.00 14.87 C ATOM 210 CG2 ILE A 13 44.615 -87.934 -2.284 1.00 17.08 C ATOM 211 CD1 ILE A 13 44.561 -86.436 -4.699 1.00 16.46 C ATOM 0 H ILE A 13 43.086 -84.126 -1.420 1.00 10.42 H new ATOM 0 HA ILE A 13 42.514 -87.014 -1.104 1.00 11.84 H new ATOM 0 HB ILE A 13 45.191 -85.884 -1.977 1.00 14.86 H new ATOM 0 HG12 ILE A 13 42.679 -86.343 -3.644 1.00 14.87 H new ATOM 0 HG13 ILE A 13 43.629 -84.874 -3.535 1.00 14.87 H new ATOM 0 HG21 ILE A 13 45.349 -88.097 -3.074 1.00 17.08 H new ATOM 0 HG22 ILE A 13 45.026 -88.270 -1.332 1.00 17.08 H new ATOM 0 HG23 ILE A 13 43.710 -88.498 -2.508 1.00 17.08 H new ATOM 0 HD11 ILE A 13 44.129 -86.087 -5.637 1.00 16.46 H new ATOM 0 HD12 ILE A 13 45.568 -86.034 -4.592 1.00 16.46 H new ATOM 0 HD13 ILE A 13 44.604 -87.525 -4.702 1.00 16.46 H new ATOM 223 N THR A 14 43.978 -87.297 0.955 1.00 9.39 N ATOM 224 CA THR A 14 44.674 -87.393 2.237 1.00 9.63 C ATOM 225 C THR A 14 45.971 -88.161 2.028 1.00 11.20 C ATOM 226 O THR A 14 45.975 -89.215 1.393 1.00 11.63 O ATOM 227 CB THR A 14 43.798 -88.118 3.261 1.00 10.38 C ATOM 228 OG1 THR A 14 42.586 -87.397 3.440 1.00 16.30 O ATOM 229 CG2 THR A 14 44.540 -88.206 4.595 1.00 11.66 C ATOM 0 H THR A 14 43.508 -88.153 0.662 1.00 9.39 H new ATOM 0 HA THR A 14 44.889 -86.393 2.615 1.00 9.63 H new ATOM 0 HB THR A 14 43.575 -89.123 2.903 1.00 10.38 H new ATOM 0 HG1 THR A 14 42.782 -86.520 3.831 1.00 16.30 H new ATOM 0 HG21 THR A 14 43.916 -88.722 5.325 1.00 11.66 H new ATOM 0 HG22 THR A 14 45.470 -88.757 4.458 1.00 11.66 H new ATOM 0 HG23 THR A 14 44.763 -87.201 4.954 1.00 11.66 H new ATOM 237 N LEU A 15 47.077 -87.624 2.543 1.00 8.29 N ATOM 238 CA LEU A 15 48.384 -88.270 2.381 1.00 9.03 C ATOM 239 C LEU A 15 49.066 -88.440 3.730 1.00 8.59 C ATOM 240 O LEU A 15 48.907 -87.608 4.620 1.00 7.79 O ATOM 241 CB LEU A 15 49.269 -87.405 1.479 1.00 11.08 C ATOM 242 CG LEU A 15 48.612 -87.238 0.100 1.00 15.79 C ATOM 243 CD1 LEU A 15 49.437 -86.251 -0.733 1.00 15.88 C ATOM 244 CD2 LEU A 15 48.541 -88.594 -0.627 1.00 15.27 C ATOM 0 H LEU A 15 47.097 -86.752 3.071 1.00 8.29 H new ATOM 0 HA LEU A 15 48.235 -89.252 1.932 1.00 9.03 H new ATOM 0 HB2 LEU A 15 49.424 -86.428 1.937 1.00 11.08 H new ATOM 0 HB3 LEU A 15 50.251 -87.866 1.370 1.00 11.08 H new ATOM 0 HG LEU A 15 47.599 -86.858 0.230 1.00 15.79 H new ATOM 0 HD11 LEU A 15 48.976 -86.128 -1.713 1.00 15.88 H new ATOM 0 HD12 LEU A 15 49.473 -85.287 -0.225 1.00 15.88 H new ATOM 0 HD13 LEU A 15 50.450 -86.635 -0.854 1.00 15.88 H new ATOM 0 HD21 LEU A 15 48.073 -88.460 -1.602 1.00 15.27 H new ATOM 0 HD22 LEU A 15 49.548 -88.989 -0.759 1.00 15.27 H new ATOM 0 HD23 LEU A 15 47.951 -89.294 -0.035 1.00 15.27 H new ATOM 256 N GLU A 16 49.885 -89.485 3.853 1.00 11.04 N ATOM 257 CA GLU A 16 50.656 -89.706 5.077 1.00 11.50 C ATOM 258 C GLU A 16 52.076 -89.247 4.777 1.00 10.13 C ATOM 259 O GLU A 16 52.700 -89.727 3.831 1.00 9.83 O ATOM 260 CB GLU A 16 50.635 -91.184 5.483 1.00 17.22 C ATOM 261 CG GLU A 16 51.235 -91.346 6.883 1.00 23.33 C ATOM 262 CD GLU A 16 52.743 -91.124 6.836 1.00 26.99 C ATOM 263 OE1 GLU A 16 53.411 -91.874 6.143 1.00 28.86 O ATOM 264 OE2 GLU A 16 53.208 -90.206 7.492 1.00 28.90 O ATOM 0 H GLU A 16 50.031 -90.186 3.127 1.00 11.04 H new ATOM 0 HA GLU A 16 50.230 -89.150 5.912 1.00 11.50 H new ATOM 0 HB2 GLU A 16 49.612 -91.560 5.470 1.00 17.22 H new ATOM 0 HB3 GLU A 16 51.201 -91.776 4.764 1.00 17.22 H new ATOM 0 HG2 GLU A 16 50.776 -90.634 7.568 1.00 23.33 H new ATOM 0 HG3 GLU A 16 51.018 -92.343 7.267 1.00 23.33 H new ATOM 271 N VAL A 17 52.577 -88.295 5.562 1.00 8.99 N ATOM 272 CA VAL A 17 53.920 -87.758 5.339 1.00 8.85 C ATOM 273 C VAL A 17 54.657 -87.522 6.649 1.00 8.04 C ATOM 274 O VAL A 17 54.066 -87.506 7.728 1.00 8.99 O ATOM 275 CB VAL A 17 53.824 -86.424 4.598 1.00 9.78 C ATOM 276 CG1 VAL A 17 53.178 -86.624 3.226 1.00 12.05 C ATOM 277 CG2 VAL A 17 52.979 -85.457 5.428 1.00 10.54 C ATOM 0 H VAL A 17 52.080 -87.882 6.351 1.00 8.99 H new ATOM 0 HA VAL A 17 54.471 -88.492 4.751 1.00 8.85 H new ATOM 0 HB VAL A 17 54.825 -86.017 4.455 1.00 9.78 H new ATOM 0 HG11 VAL A 17 53.116 -85.666 2.710 1.00 12.05 H new ATOM 0 HG12 VAL A 17 53.781 -87.315 2.637 1.00 12.05 H new ATOM 0 HG13 VAL A 17 52.176 -87.034 3.352 1.00 12.05 H new ATOM 0 HG21 VAL A 17 52.904 -84.502 4.909 1.00 10.54 H new ATOM 0 HG22 VAL A 17 51.981 -85.873 5.568 1.00 10.54 H new ATOM 0 HG23 VAL A 17 53.449 -85.306 6.400 1.00 10.54 H new ATOM 287 N GLU A 18 55.959 -87.282 6.516 1.00 7.29 N ATOM 288 CA GLU A 18 56.818 -86.973 7.658 1.00 7.08 C ATOM 289 C GLU A 18 57.376 -85.562 7.442 1.00 6.45 C ATOM 290 O GLU A 18 57.505 -85.142 6.292 1.00 5.28 O ATOM 291 CB GLU A 18 57.964 -87.987 7.753 1.00 10.28 C ATOM 292 CG GLU A 18 57.405 -89.373 8.084 1.00 12.65 C ATOM 293 CD GLU A 18 56.784 -89.370 9.477 1.00 14.15 C ATOM 294 OE1 GLU A 18 57.454 -88.943 10.403 1.00 14.33 O ATOM 295 OE2 GLU A 18 55.645 -89.793 9.597 1.00 18.17 O ATOM 0 H GLU A 18 56.447 -87.296 5.620 1.00 7.29 H new ATOM 0 HA GLU A 18 56.252 -87.025 8.588 1.00 7.08 H new ATOM 0 HB2 GLU A 18 58.511 -88.021 6.811 1.00 10.28 H new ATOM 0 HB3 GLU A 18 58.673 -87.678 8.521 1.00 10.28 H new ATOM 0 HG2 GLU A 18 56.656 -89.658 7.345 1.00 12.65 H new ATOM 0 HG3 GLU A 18 58.201 -90.116 8.034 1.00 12.65 H new ATOM 302 N PRO A 19 57.698 -84.798 8.465 1.00 7.24 N ATOM 303 CA PRO A 19 58.218 -83.425 8.243 1.00 7.07 C ATOM 304 C PRO A 19 59.501 -83.400 7.413 1.00 6.65 C ATOM 305 O PRO A 19 59.824 -82.388 6.789 1.00 6.37 O ATOM 306 CB PRO A 19 58.452 -82.838 9.652 1.00 7.61 C ATOM 307 CG PRO A 19 57.653 -83.725 10.563 1.00 8.16 C ATOM 308 CD PRO A 19 57.617 -85.112 9.902 1.00 7.49 C ATOM 0 HA PRO A 19 57.505 -82.837 7.665 1.00 7.07 H new ATOM 0 HB2 PRO A 19 59.510 -82.847 9.916 1.00 7.61 H new ATOM 0 HB3 PRO A 19 58.117 -81.802 9.712 1.00 7.61 H new ATOM 0 HG2 PRO A 19 58.110 -83.778 11.551 1.00 8.16 H new ATOM 0 HG3 PRO A 19 56.645 -83.334 10.699 1.00 8.16 H new ATOM 0 HD2 PRO A 19 58.450 -85.735 10.226 1.00 7.49 H new ATOM 0 HD3 PRO A 19 56.702 -85.651 10.146 1.00 7.49 H new ATOM 316 N SER A 20 60.242 -84.509 7.430 1.00 6.80 N ATOM 317 CA SER A 20 61.502 -84.593 6.694 1.00 6.28 C ATOM 318 C SER A 20 61.290 -85.013 5.243 1.00 8.45 C ATOM 319 O SER A 20 62.248 -85.073 4.472 1.00 7.26 O ATOM 320 CB SER A 20 62.453 -85.568 7.388 1.00 8.57 C ATOM 321 OG SER A 20 63.794 -85.207 7.086 1.00 11.13 O ATOM 0 H SER A 20 59.993 -85.355 7.942 1.00 6.80 H new ATOM 0 HA SER A 20 61.943 -83.596 6.687 1.00 6.28 H new ATOM 0 HB2 SER A 20 62.292 -85.547 8.466 1.00 8.57 H new ATOM 0 HB3 SER A 20 62.254 -86.587 7.056 1.00 8.57 H new ATOM 0 HG SER A 20 63.873 -85.013 6.129 1.00 11.13 H new ATOM 327 N ASP A 21 60.044 -85.279 4.851 1.00 7.50 N ATOM 328 CA ASP A 21 59.774 -85.656 3.471 1.00 7.70 C ATOM 329 C ASP A 21 59.972 -84.427 2.607 1.00 7.08 C ATOM 330 O ASP A 21 59.631 -83.299 2.987 1.00 8.11 O ATOM 331 CB ASP A 21 58.334 -86.168 3.331 1.00 11.00 C ATOM 332 CG ASP A 21 58.226 -87.604 3.842 1.00 15.32 C ATOM 333 OD1 ASP A 21 59.245 -88.272 3.905 1.00 18.03 O ATOM 334 OD2 ASP A 21 57.123 -88.013 4.164 1.00 14.36 O ATOM 0 H ASP A 21 59.224 -85.241 5.457 1.00 7.50 H new ATOM 0 HA ASP A 21 60.448 -86.454 3.160 1.00 7.70 H new ATOM 0 HB2 ASP A 21 57.656 -85.524 3.892 1.00 11.00 H new ATOM 0 HB3 ASP A 21 58.025 -86.123 2.287 1.00 11.00 H new ATOM 339 N THR A 22 60.501 -84.683 1.409 1.00 5.37 N ATOM 340 CA THR A 22 60.722 -83.631 0.438 1.00 6.01 C ATOM 341 C THR A 22 59.466 -83.425 -0.390 1.00 8.01 C ATOM 342 O THR A 22 58.644 -84.327 -0.531 1.00 8.11 O ATOM 343 CB THR A 22 61.865 -83.981 -0.510 1.00 8.92 C ATOM 344 OG1 THR A 22 61.515 -85.126 -1.269 1.00 10.22 O ATOM 345 CG2 THR A 22 63.163 -84.246 0.256 1.00 9.65 C ATOM 0 H THR A 22 60.781 -85.612 1.096 1.00 5.37 H new ATOM 0 HA THR A 22 60.977 -82.724 0.987 1.00 6.01 H new ATOM 0 HB THR A 22 62.032 -83.132 -1.173 1.00 8.92 H new ATOM 0 HG1 THR A 22 61.470 -85.908 -0.680 1.00 10.22 H new ATOM 0 HG21 THR A 22 63.957 -84.493 -0.448 1.00 9.65 H new ATOM 0 HG22 THR A 22 63.441 -83.355 0.820 1.00 9.65 H new ATOM 0 HG23 THR A 22 63.016 -85.079 0.943 1.00 9.65 H new ATOM 353 N ILE A 23 59.351 -82.243 -0.956 1.00 8.32 N ATOM 354 CA ILE A 23 58.220 -81.913 -1.810 1.00 9.92 C ATOM 355 C ILE A 23 58.193 -82.862 -3.012 1.00 10.01 C ATOM 356 O ILE A 23 57.126 -83.308 -3.425 1.00 8.71 O ATOM 357 CB ILE A 23 58.332 -80.446 -2.229 1.00 10.78 C ATOM 358 CG1 ILE A 23 58.167 -79.537 -0.997 1.00 11.38 C ATOM 359 CG2 ILE A 23 57.283 -80.108 -3.290 1.00 10.90 C ATOM 360 CD1 ILE A 23 56.812 -79.753 -0.311 1.00 12.30 C ATOM 0 H ILE A 23 60.028 -81.488 -0.842 1.00 8.32 H new ATOM 0 HA ILE A 23 57.278 -82.040 -1.276 1.00 9.92 H new ATOM 0 HB ILE A 23 59.318 -80.278 -2.662 1.00 10.78 H new ATOM 0 HG12 ILE A 23 58.970 -79.736 -0.287 1.00 11.38 H new ATOM 0 HG13 ILE A 23 58.260 -78.494 -1.299 1.00 11.38 H new ATOM 0 HG21 ILE A 23 57.378 -79.060 -3.575 1.00 10.90 H new ATOM 0 HG22 ILE A 23 57.436 -80.738 -4.166 1.00 10.90 H new ATOM 0 HG23 ILE A 23 56.286 -80.284 -2.885 1.00 10.90 H new ATOM 0 HD11 ILE A 23 56.733 -79.094 0.554 1.00 12.30 H new ATOM 0 HD12 ILE A 23 56.009 -79.529 -1.013 1.00 12.30 H new ATOM 0 HD13 ILE A 23 56.730 -80.790 0.014 1.00 12.30 H new ATOM 372 N GLU A 24 59.368 -83.196 -3.552 1.00 9.54 N ATOM 373 CA GLU A 24 59.439 -84.132 -4.679 1.00 11.81 C ATOM 374 C GLU A 24 58.842 -85.475 -4.256 1.00 11.14 C ATOM 375 O GLU A 24 58.135 -86.115 -5.031 1.00 10.62 O ATOM 376 CB GLU A 24 60.890 -84.313 -5.131 1.00 19.24 C ATOM 377 CG GLU A 24 60.956 -85.286 -6.319 1.00 27.76 C ATOM 378 CD GLU A 24 60.909 -86.735 -5.836 1.00 32.92 C ATOM 379 OE1 GLU A 24 60.978 -86.947 -4.637 1.00 34.80 O ATOM 380 OE2 GLU A 24 60.807 -87.612 -6.677 1.00 36.51 O ATOM 0 H GLU A 24 60.270 -82.840 -3.234 1.00 9.54 H new ATOM 0 HA GLU A 24 58.869 -83.731 -5.517 1.00 11.81 H new ATOM 0 HB2 GLU A 24 61.313 -83.350 -5.416 1.00 19.24 H new ATOM 0 HB3 GLU A 24 61.491 -84.694 -4.305 1.00 19.24 H new ATOM 0 HG2 GLU A 24 60.124 -85.097 -6.997 1.00 27.76 H new ATOM 0 HG3 GLU A 24 61.872 -85.116 -6.884 1.00 27.76 H new ATOM 387 N ASN A 25 59.119 -85.888 -3.023 1.00 9.43 N ATOM 388 CA ASN A 25 58.567 -87.155 -2.540 1.00 10.96 C ATOM 389 C ASN A 25 57.047 -87.040 -2.473 1.00 9.68 C ATOM 390 O ASN A 25 56.331 -87.972 -2.831 1.00 9.33 O ATOM 391 CB ASN A 25 59.119 -87.518 -1.153 1.00 16.78 C ATOM 392 CG ASN A 25 60.567 -88.002 -1.252 1.00 22.31 C ATOM 393 OD1 ASN A 25 61.470 -87.376 -0.700 1.00 25.66 O ATOM 394 ND2 ASN A 25 60.842 -89.102 -1.901 1.00 24.70 N ATOM 0 H ASN A 25 59.703 -85.384 -2.356 1.00 9.43 H new ATOM 0 HA ASN A 25 58.858 -87.945 -3.232 1.00 10.96 H new ATOM 0 HB2 ASN A 25 59.066 -86.649 -0.497 1.00 16.78 H new ATOM 0 HB3 ASN A 25 58.501 -88.295 -0.703 1.00 16.78 H new ATOM 0 HD21 ASN A 25 61.803 -89.439 -1.949 1.00 24.70 H new ATOM 0 HD22 ASN A 25 60.095 -89.624 -2.360 1.00 24.70 H new ATOM 401 N VAL A 26 56.563 -85.883 -2.025 1.00 6.52 N ATOM 402 CA VAL A 26 55.123 -85.661 -1.933 1.00 5.53 C ATOM 403 C VAL A 26 54.493 -85.740 -3.325 1.00 4.42 C ATOM 404 O VAL A 26 53.446 -86.369 -3.495 1.00 3.40 O ATOM 405 CB VAL A 26 54.813 -84.314 -1.278 1.00 3.86 C ATOM 406 CG1 VAL A 26 53.310 -84.034 -1.355 1.00 7.25 C ATOM 407 CG2 VAL A 26 55.262 -84.335 0.185 1.00 8.12 C ATOM 0 H VAL A 26 57.138 -85.096 -1.724 1.00 6.52 H new ATOM 0 HA VAL A 26 54.694 -86.442 -1.305 1.00 5.53 H new ATOM 0 HB VAL A 26 55.351 -83.527 -1.806 1.00 3.86 H new ATOM 0 HG11 VAL A 26 53.094 -83.073 -0.887 1.00 7.25 H new ATOM 0 HG12 VAL A 26 52.998 -84.007 -2.399 1.00 7.25 H new ATOM 0 HG13 VAL A 26 52.766 -84.822 -0.834 1.00 7.25 H new ATOM 0 HG21 VAL A 26 55.039 -83.374 0.648 1.00 8.12 H new ATOM 0 HG22 VAL A 26 54.732 -85.125 0.717 1.00 8.12 H new ATOM 0 HG23 VAL A 26 56.335 -84.521 0.234 1.00 8.12 H new ATOM 417 N LYS A 27 55.127 -85.118 -4.333 1.00 2.64 N ATOM 418 CA LYS A 27 54.601 -85.157 -5.694 1.00 4.14 C ATOM 419 C LYS A 27 54.521 -86.604 -6.168 1.00 5.58 C ATOM 420 O LYS A 27 53.576 -86.995 -6.846 1.00 4.11 O ATOM 421 CB LYS A 27 55.527 -84.436 -6.675 1.00 3.97 C ATOM 422 CG LYS A 27 55.645 -82.923 -6.394 1.00 7.45 C ATOM 423 CD LYS A 27 55.841 -82.193 -7.743 1.00 9.02 C ATOM 424 CE LYS A 27 56.330 -80.742 -7.530 1.00 12.90 C ATOM 425 NZ LYS A 27 57.310 -80.397 -8.597 1.00 15.47 N ATOM 0 H LYS A 27 55.993 -84.590 -4.227 1.00 2.64 H new ATOM 0 HA LYS A 27 53.624 -84.675 -5.673 1.00 4.14 H new ATOM 0 HB2 LYS A 27 56.518 -84.887 -6.628 1.00 3.97 H new ATOM 0 HB3 LYS A 27 55.157 -84.583 -7.690 1.00 3.97 H new ATOM 0 HG2 LYS A 27 54.749 -82.559 -5.892 1.00 7.45 H new ATOM 0 HG3 LYS A 27 56.486 -82.725 -5.729 1.00 7.45 H new ATOM 0 HD2 LYS A 27 56.563 -82.737 -8.352 1.00 9.02 H new ATOM 0 HD3 LYS A 27 54.901 -82.185 -8.295 1.00 9.02 H new ATOM 0 HE2 LYS A 27 55.486 -80.053 -7.557 1.00 12.90 H new ATOM 0 HE3 LYS A 27 56.792 -80.641 -6.548 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 57.605 -79.405 -8.490 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 58.142 -81.016 -8.518 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 56.868 -80.528 -9.529 1.00 15.47 H new ATOM 439 N ALA A 28 55.542 -87.385 -5.822 1.00 6.61 N ATOM 440 CA ALA A 28 55.592 -88.780 -6.239 1.00 7.74 C ATOM 441 C ALA A 28 54.421 -89.554 -5.648 1.00 9.17 C ATOM 442 O ALA A 28 53.836 -90.408 -6.313 1.00 11.45 O ATOM 443 CB ALA A 28 56.921 -89.421 -5.831 1.00 7.68 C ATOM 0 H ALA A 28 56.336 -87.078 -5.260 1.00 6.61 H new ATOM 0 HA ALA A 28 55.517 -88.815 -7.326 1.00 7.74 H new ATOM 0 HB1 ALA A 28 56.936 -90.462 -6.152 1.00 7.68 H new ATOM 0 HB2 ALA A 28 57.744 -88.884 -6.302 1.00 7.68 H new ATOM 0 HB3 ALA A 28 57.030 -89.374 -4.747 1.00 7.68 H new ATOM 449 N LYS A 29 54.065 -89.239 -4.413 1.00 8.96 N ATOM 450 CA LYS A 29 52.939 -89.905 -3.776 1.00 7.90 C ATOM 451 C LYS A 29 51.645 -89.545 -4.510 1.00 6.92 C ATOM 452 O LYS A 29 50.777 -90.395 -4.708 1.00 6.87 O ATOM 453 CB LYS A 29 52.814 -89.475 -2.313 1.00 10.28 C ATOM 454 CG LYS A 29 53.966 -90.042 -1.482 1.00 14.94 C ATOM 455 CD LYS A 29 53.785 -89.579 -0.035 1.00 19.69 C ATOM 456 CE LYS A 29 54.938 -90.070 0.845 1.00 22.63 C ATOM 457 NZ LYS A 29 56.231 -89.842 0.138 1.00 24.98 N ATOM 0 H LYS A 29 54.531 -88.537 -3.838 1.00 8.96 H new ATOM 0 HA LYS A 29 53.108 -90.981 -3.819 1.00 7.90 H new ATOM 0 HB2 LYS A 29 52.813 -88.387 -2.247 1.00 10.28 H new ATOM 0 HB3 LYS A 29 51.863 -89.820 -1.908 1.00 10.28 H new ATOM 0 HG2 LYS A 29 53.973 -91.131 -1.535 1.00 14.94 H new ATOM 0 HG3 LYS A 29 54.923 -89.698 -1.874 1.00 14.94 H new ATOM 0 HD2 LYS A 29 53.734 -88.491 -0.001 1.00 19.69 H new ATOM 0 HD3 LYS A 29 52.839 -89.954 0.355 1.00 19.69 H new ATOM 0 HE2 LYS A 29 54.934 -89.541 1.798 1.00 22.63 H new ATOM 0 HE3 LYS A 29 54.814 -91.130 1.068 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 56.996 -89.746 0.836 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 56.432 -90.648 -0.487 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 56.168 -88.972 -0.429 1.00 24.98 H new ATOM 471 N ILE A 30 51.543 -88.278 -4.949 1.00 4.57 N ATOM 472 CA ILE A 30 50.374 -87.819 -5.704 1.00 5.58 C ATOM 473 C ILE A 30 50.318 -88.544 -7.056 1.00 7.26 C ATOM 474 O ILE A 30 49.244 -88.931 -7.504 1.00 9.46 O ATOM 475 CB ILE A 30 50.406 -86.296 -5.887 1.00 5.36 C ATOM 476 CG1 ILE A 30 50.152 -85.652 -4.510 1.00 2.94 C ATOM 477 CG2 ILE A 30 49.311 -85.876 -6.885 1.00 2.78 C ATOM 478 CD1 ILE A 30 50.102 -84.126 -4.618 1.00 2.00 C ATOM 0 H ILE A 30 52.252 -87.562 -4.793 1.00 4.57 H new ATOM 0 HA ILE A 30 49.470 -88.058 -5.144 1.00 5.58 H new ATOM 0 HB ILE A 30 51.370 -85.971 -6.279 1.00 5.36 H new ATOM 0 HG12 ILE A 30 49.212 -86.022 -4.100 1.00 2.94 H new ATOM 0 HG13 ILE A 30 50.940 -85.945 -3.817 1.00 2.94 H new ATOM 0 HG21 ILE A 30 49.333 -84.794 -7.015 1.00 2.78 H new ATOM 0 HG22 ILE A 30 49.488 -86.361 -7.845 1.00 2.78 H new ATOM 0 HG23 ILE A 30 48.335 -86.175 -6.502 1.00 2.78 H new ATOM 0 HD11 ILE A 30 49.922 -83.697 -3.632 1.00 2.00 H new ATOM 0 HD12 ILE A 30 51.052 -83.757 -5.006 1.00 2.00 H new ATOM 0 HD13 ILE A 30 49.297 -83.835 -5.293 1.00 2.00 H new ATOM 490 N GLN A 31 51.470 -88.730 -7.704 1.00 7.06 N ATOM 491 CA GLN A 31 51.514 -89.416 -9.003 1.00 8.67 C ATOM 492 C GLN A 31 50.967 -90.828 -8.846 1.00 10.90 C ATOM 493 O GLN A 31 50.187 -91.308 -9.668 1.00 9.63 O ATOM 494 CB GLN A 31 52.972 -89.494 -9.479 1.00 9.12 C ATOM 495 CG GLN A 31 53.060 -90.238 -10.818 1.00 10.76 C ATOM 496 CD GLN A 31 54.511 -90.288 -11.289 1.00 13.78 C ATOM 497 OE1 GLN A 31 55.393 -89.718 -10.648 1.00 14.48 O ATOM 498 NE2 GLN A 31 54.811 -90.940 -12.380 1.00 14.76 N ATOM 0 H GLN A 31 52.378 -88.420 -7.357 1.00 7.06 H new ATOM 0 HA GLN A 31 50.914 -88.868 -9.729 1.00 8.67 H new ATOM 0 HB2 GLN A 31 53.380 -88.489 -9.587 1.00 9.12 H new ATOM 0 HB3 GLN A 31 53.578 -90.005 -8.731 1.00 9.12 H new ATOM 0 HG2 GLN A 31 52.669 -91.249 -10.709 1.00 10.76 H new ATOM 0 HG3 GLN A 31 52.443 -89.737 -11.564 1.00 10.76 H new ATOM 0 HE21 GLN A 31 54.078 -91.412 -12.910 1.00 14.76 H new ATOM 0 HE22 GLN A 31 55.778 -90.977 -12.702 1.00 14.76 H new ATOM 507 N ASP A 32 51.405 -91.479 -7.794 1.00 10.93 N ATOM 508 CA ASP A 32 50.975 -92.843 -7.542 1.00 14.01 C ATOM 509 C ASP A 32 49.458 -92.906 -7.373 1.00 14.04 C ATOM 510 O ASP A 32 48.812 -93.854 -7.818 1.00 13.39 O ATOM 511 CB ASP A 32 51.656 -93.381 -6.281 1.00 18.01 C ATOM 512 CG ASP A 32 51.222 -94.821 -6.025 1.00 24.33 C ATOM 513 OD1 ASP A 32 50.437 -95.330 -6.809 1.00 26.29 O ATOM 514 OD2 ASP A 32 51.680 -95.392 -5.050 1.00 25.17 O ATOM 0 H ASP A 32 52.051 -91.096 -7.104 1.00 10.93 H new ATOM 0 HA ASP A 32 51.258 -93.457 -8.397 1.00 14.01 H new ATOM 0 HB2 ASP A 32 52.739 -93.334 -6.395 1.00 18.01 H new ATOM 0 HB3 ASP A 32 51.398 -92.758 -5.425 1.00 18.01 H new ATOM 519 N LYS A 33 48.907 -91.909 -6.685 1.00 14.22 N ATOM 520 CA LYS A 33 47.471 -91.870 -6.403 1.00 14.00 C ATOM 521 C LYS A 33 46.611 -91.355 -7.569 1.00 12.37 C ATOM 522 O LYS A 33 45.509 -91.862 -7.780 1.00 12.17 O ATOM 523 CB LYS A 33 47.202 -90.953 -5.204 1.00 18.62 C ATOM 524 CG LYS A 33 48.012 -91.391 -3.966 1.00 24.00 C ATOM 525 CD LYS A 33 47.156 -92.304 -3.081 1.00 27.61 C ATOM 526 CE LYS A 33 47.946 -92.692 -1.830 1.00 27.64 C ATOM 527 NZ LYS A 33 47.213 -93.756 -1.088 1.00 30.06 N ATOM 0 H LYS A 33 49.431 -91.117 -6.312 1.00 14.22 H new ATOM 0 HA LYS A 33 47.190 -92.905 -6.210 1.00 14.00 H new ATOM 0 HB2 LYS A 33 47.460 -89.926 -5.464 1.00 18.62 H new ATOM 0 HB3 LYS A 33 46.138 -90.964 -4.967 1.00 18.62 H new ATOM 0 HG2 LYS A 33 48.915 -91.915 -4.278 1.00 24.00 H new ATOM 0 HG3 LYS A 33 48.331 -90.516 -3.400 1.00 24.00 H new ATOM 0 HD2 LYS A 33 46.235 -91.794 -2.798 1.00 27.61 H new ATOM 0 HD3 LYS A 33 46.869 -93.198 -3.634 1.00 27.61 H new ATOM 0 HE2 LYS A 33 48.938 -93.047 -2.109 1.00 27.64 H new ATOM 0 HE3 LYS A 33 48.087 -91.820 -1.191 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 47.751 -94.019 -0.238 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 46.276 -93.402 -0.809 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 47.100 -94.590 -1.699 1.00 30.06 H new ATOM 541 N GLU A 34 47.051 -90.296 -8.256 1.00 10.11 N ATOM 542 CA GLU A 34 46.222 -89.677 -9.312 1.00 10.07 C ATOM 543 C GLU A 34 46.724 -89.840 -10.752 1.00 9.32 C ATOM 544 O GLU A 34 45.973 -89.613 -11.700 1.00 11.61 O ATOM 545 CB GLU A 34 46.091 -88.187 -8.972 1.00 14.77 C ATOM 546 CG GLU A 34 45.300 -88.046 -7.666 1.00 18.75 C ATOM 547 CD GLU A 34 43.838 -88.424 -7.885 1.00 22.28 C ATOM 548 OE1 GLU A 34 43.408 -88.408 -9.027 1.00 21.95 O ATOM 549 OE2 GLU A 34 43.171 -88.721 -6.908 1.00 25.19 O ATOM 0 H GLU A 34 47.957 -89.852 -8.109 1.00 10.11 H new ATOM 0 HA GLU A 34 45.269 -90.207 -9.308 1.00 10.07 H new ATOM 0 HB2 GLU A 34 47.078 -87.736 -8.866 1.00 14.77 H new ATOM 0 HB3 GLU A 34 45.584 -87.659 -9.779 1.00 14.77 H new ATOM 0 HG2 GLU A 34 45.736 -88.685 -6.899 1.00 18.75 H new ATOM 0 HG3 GLU A 34 45.366 -87.021 -7.302 1.00 18.75 H new ATOM 556 N GLY A 35 47.971 -90.262 -10.916 1.00 7.22 N ATOM 557 CA GLY A 35 48.520 -90.480 -12.258 1.00 6.29 C ATOM 558 C GLY A 35 49.001 -89.188 -12.925 1.00 6.93 C ATOM 559 O GLY A 35 49.303 -89.166 -14.119 1.00 7.41 O ATOM 0 H GLY A 35 48.617 -90.459 -10.152 1.00 7.22 H new ATOM 0 HA2 GLY A 35 49.352 -91.181 -12.195 1.00 6.29 H new ATOM 0 HA3 GLY A 35 47.759 -90.944 -12.885 1.00 6.29 H new ATOM 563 N ILE A 36 49.067 -88.121 -12.142 1.00 5.86 N ATOM 564 CA ILE A 36 49.511 -86.822 -12.656 1.00 6.07 C ATOM 565 C ILE A 36 51.048 -86.748 -12.605 1.00 6.36 C ATOM 566 O ILE A 36 51.615 -86.784 -11.512 1.00 6.18 O ATOM 567 CB ILE A 36 48.936 -85.704 -11.775 1.00 7.47 C ATOM 568 CG1 ILE A 36 47.408 -85.880 -11.605 1.00 8.52 C ATOM 569 CG2 ILE A 36 49.219 -84.347 -12.436 1.00 7.36 C ATOM 570 CD1 ILE A 36 46.947 -85.179 -10.321 1.00 9.49 C ATOM 0 H ILE A 36 48.821 -88.123 -11.152 1.00 5.86 H new ATOM 0 HA ILE A 36 49.167 -86.704 -13.683 1.00 6.07 H new ATOM 0 HB ILE A 36 49.407 -85.750 -10.793 1.00 7.47 H new ATOM 0 HG12 ILE A 36 46.886 -85.463 -12.466 1.00 8.52 H new ATOM 0 HG13 ILE A 36 47.157 -86.940 -11.563 1.00 8.52 H new ATOM 0 HG21 ILE A 36 48.813 -83.548 -11.815 1.00 7.36 H new ATOM 0 HG22 ILE A 36 50.295 -84.212 -12.543 1.00 7.36 H new ATOM 0 HG23 ILE A 36 48.750 -84.316 -13.419 1.00 7.36 H new ATOM 0 HD11 ILE A 36 45.871 -85.305 -10.204 1.00 9.49 H new ATOM 0 HD12 ILE A 36 47.459 -85.617 -9.464 1.00 9.49 H new ATOM 0 HD13 ILE A 36 47.184 -84.117 -10.381 1.00 9.49 H new ATOM 582 N PRO A 37 51.753 -86.651 -13.722 1.00 8.65 N ATOM 583 CA PRO A 37 53.247 -86.581 -13.685 1.00 9.18 C ATOM 584 C PRO A 37 53.762 -85.377 -12.851 1.00 9.85 C ATOM 585 O PRO A 37 53.246 -84.268 -12.989 1.00 8.51 O ATOM 586 CB PRO A 37 53.669 -86.466 -15.162 1.00 11.42 C ATOM 587 CG PRO A 37 52.482 -86.921 -15.955 1.00 9.27 C ATOM 588 CD PRO A 37 51.244 -86.610 -15.107 1.00 8.33 C ATOM 0 HA PRO A 37 53.675 -87.457 -13.198 1.00 9.18 H new ATOM 0 HB2 PRO A 37 53.939 -85.441 -15.414 1.00 11.42 H new ATOM 0 HB3 PRO A 37 54.541 -87.086 -15.370 1.00 11.42 H new ATOM 0 HG2 PRO A 37 52.435 -86.404 -16.913 1.00 9.27 H new ATOM 0 HG3 PRO A 37 52.546 -87.987 -16.171 1.00 9.27 H new ATOM 0 HD2 PRO A 37 50.825 -85.634 -15.352 1.00 8.33 H new ATOM 0 HD3 PRO A 37 50.454 -87.344 -15.266 1.00 8.33 H new ATOM 596 N PRO A 38 54.757 -85.572 -11.983 1.00 8.71 N ATOM 597 CA PRO A 38 55.316 -84.470 -11.122 1.00 9.08 C ATOM 598 C PRO A 38 55.674 -83.186 -11.888 1.00 9.28 C ATOM 599 O PRO A 38 55.615 -82.098 -11.314 1.00 6.50 O ATOM 600 CB PRO A 38 56.586 -85.083 -10.514 1.00 10.31 C ATOM 601 CG PRO A 38 56.344 -86.553 -10.498 1.00 10.81 C ATOM 602 CD PRO A 38 55.453 -86.855 -11.706 1.00 12.00 C ATOM 0 HA PRO A 38 54.571 -84.150 -10.393 1.00 9.08 H new ATOM 0 HB2 PRO A 38 57.466 -84.836 -11.108 1.00 10.31 H new ATOM 0 HB3 PRO A 38 56.764 -84.703 -9.508 1.00 10.31 H new ATOM 0 HG2 PRO A 38 57.283 -87.102 -10.561 1.00 10.81 H new ATOM 0 HG3 PRO A 38 55.858 -86.857 -9.571 1.00 10.81 H new ATOM 0 HD2 PRO A 38 56.043 -87.180 -12.563 1.00 12.00 H new ATOM 0 HD3 PRO A 38 54.743 -87.653 -11.487 1.00 12.00 H new ATOM 610 N ASP A 39 56.074 -83.291 -13.142 1.00 11.20 N ATOM 611 CA ASP A 39 56.463 -82.096 -13.891 1.00 14.96 C ATOM 612 C ASP A 39 55.254 -81.230 -14.239 1.00 13.99 C ATOM 613 O ASP A 39 55.407 -80.066 -14.611 1.00 13.75 O ATOM 614 CB ASP A 39 57.220 -82.510 -15.155 1.00 24.16 C ATOM 615 CG ASP A 39 56.274 -83.200 -16.131 1.00 31.06 C ATOM 616 OD1 ASP A 39 55.943 -84.349 -15.891 1.00 35.55 O ATOM 617 OD2 ASP A 39 55.897 -82.571 -17.105 1.00 34.22 O ATOM 0 H ASP A 39 56.140 -84.167 -13.660 1.00 11.20 H new ATOM 0 HA ASP A 39 57.117 -81.492 -13.262 1.00 14.96 H new ATOM 0 HB2 ASP A 39 57.664 -81.633 -15.626 1.00 24.16 H new ATOM 0 HB3 ASP A 39 58.039 -83.181 -14.894 1.00 24.16 H new ATOM 622 N GLN A 40 54.051 -81.797 -14.121 1.00 11.60 N ATOM 623 CA GLN A 40 52.824 -81.054 -14.433 1.00 10.76 C ATOM 624 C GLN A 40 52.140 -80.531 -13.170 1.00 8.01 C ATOM 625 O GLN A 40 51.066 -79.934 -13.243 1.00 8.96 O ATOM 626 CB GLN A 40 51.838 -81.940 -15.198 1.00 11.14 C ATOM 627 CG GLN A 40 52.382 -82.225 -16.594 1.00 14.85 C ATOM 628 CD GLN A 40 51.379 -83.058 -17.386 1.00 16.11 C ATOM 629 OE1 GLN A 40 50.567 -83.774 -16.799 1.00 20.52 O ATOM 630 NE2 GLN A 40 51.385 -83.008 -18.690 1.00 18.16 N ATOM 0 H GLN A 40 53.899 -82.758 -13.815 1.00 11.60 H new ATOM 0 HA GLN A 40 53.117 -80.204 -15.050 1.00 10.76 H new ATOM 0 HB2 GLN A 40 51.681 -82.875 -14.660 1.00 11.14 H new ATOM 0 HB3 GLN A 40 50.869 -81.446 -15.268 1.00 11.14 H new ATOM 0 HG2 GLN A 40 52.580 -81.288 -17.114 1.00 14.85 H new ATOM 0 HG3 GLN A 40 53.331 -82.756 -16.522 1.00 14.85 H new ATOM 0 HE21 GLN A 40 52.058 -82.414 -19.175 1.00 18.16 H new ATOM 0 HE22 GLN A 40 50.716 -83.562 -19.225 1.00 18.16 H new ATOM 639 N GLN A 41 52.737 -80.799 -12.011 1.00 6.52 N ATOM 640 CA GLN A 41 52.138 -80.390 -10.733 1.00 3.87 C ATOM 641 C GLN A 41 52.849 -79.219 -10.051 1.00 4.79 C ATOM 642 O GLN A 41 54.077 -79.156 -9.990 1.00 6.34 O ATOM 643 CB GLN A 41 52.163 -81.579 -9.773 1.00 4.20 C ATOM 644 CG GLN A 41 51.175 -82.645 -10.234 1.00 3.20 C ATOM 645 CD GLN A 41 51.185 -83.807 -9.246 1.00 4.89 C ATOM 646 OE1 GLN A 41 50.849 -83.632 -8.075 1.00 5.21 O ATOM 647 NE2 GLN A 41 51.551 -84.991 -9.652 1.00 7.13 N ATOM 0 H GLN A 41 53.626 -81.292 -11.925 1.00 6.52 H new ATOM 0 HA GLN A 41 51.126 -80.058 -10.965 1.00 3.87 H new ATOM 0 HB2 GLN A 41 53.168 -81.999 -9.728 1.00 4.20 H new ATOM 0 HB3 GLN A 41 51.910 -81.249 -8.766 1.00 4.20 H new ATOM 0 HG2 GLN A 41 50.173 -82.222 -10.304 1.00 3.20 H new ATOM 0 HG3 GLN A 41 51.442 -82.998 -11.230 1.00 3.20 H new ATOM 0 HE21 GLN A 41 51.829 -85.134 -10.623 1.00 7.13 H new ATOM 0 HE22 GLN A 41 51.559 -85.774 -8.999 1.00 7.13 H new ATOM 656 N ARG A 42 52.030 -78.328 -9.483 1.00 5.73 N ATOM 657 CA ARG A 42 52.507 -77.172 -8.720 1.00 6.97 C ATOM 658 C ARG A 42 51.829 -77.194 -7.351 1.00 7.15 C ATOM 659 O ARG A 42 50.604 -77.212 -7.266 1.00 7.33 O ATOM 660 CB ARG A 42 52.150 -75.861 -9.427 1.00 13.23 C ATOM 661 CG ARG A 42 53.145 -75.568 -10.545 1.00 21.27 C ATOM 662 CD ARG A 42 52.735 -74.276 -11.261 1.00 26.14 C ATOM 663 NE ARG A 42 51.661 -74.548 -12.208 1.00 32.26 N ATOM 664 CZ ARG A 42 51.017 -73.559 -12.819 1.00 34.32 C ATOM 665 NH1 ARG A 42 51.123 -72.337 -12.372 1.00 36.39 N ATOM 666 NH2 ARG A 42 50.281 -73.809 -13.866 1.00 35.30 N ATOM 0 H ARG A 42 51.013 -78.389 -9.540 1.00 5.73 H new ATOM 0 HA ARG A 42 53.592 -77.229 -8.627 1.00 6.97 H new ATOM 0 HB2 ARG A 42 51.142 -75.925 -9.837 1.00 13.23 H new ATOM 0 HB3 ARG A 42 52.150 -75.042 -8.708 1.00 13.23 H new ATOM 0 HG2 ARG A 42 54.150 -75.468 -10.136 1.00 21.27 H new ATOM 0 HG3 ARG A 42 53.170 -76.397 -11.252 1.00 21.27 H new ATOM 0 HD2 ARG A 42 52.408 -73.535 -10.532 1.00 26.14 H new ATOM 0 HD3 ARG A 42 53.593 -73.853 -11.784 1.00 26.14 H new ATOM 0 HE ARG A 42 51.399 -75.514 -12.405 1.00 32.26 H new ATOM 0 HH11 ARG A 42 51.700 -72.141 -11.554 1.00 36.39 H new ATOM 0 HH12 ARG A 42 50.629 -71.578 -12.841 1.00 36.39 H new ATOM 0 HH21 ARG A 42 50.200 -74.764 -14.216 1.00 35.30 H new ATOM 0 HH22 ARG A 42 49.787 -73.050 -14.335 1.00 35.30 H new ATOM 680 N LEU A 43 52.617 -77.203 -6.280 1.00 4.65 N ATOM 681 CA LEU A 43 52.069 -77.234 -4.918 1.00 3.51 C ATOM 682 C LEU A 43 52.217 -75.872 -4.250 1.00 5.56 C ATOM 683 O LEU A 43 53.294 -75.275 -4.250 1.00 4.19 O ATOM 684 CB LEU A 43 52.793 -78.319 -4.112 1.00 3.74 C ATOM 685 CG LEU A 43 52.537 -79.717 -4.694 1.00 6.32 C ATOM 686 CD1 LEU A 43 53.453 -80.720 -3.984 1.00 9.55 C ATOM 687 CD2 LEU A 43 51.073 -80.129 -4.467 1.00 6.41 C ATOM 0 H LEU A 43 53.636 -77.189 -6.323 1.00 4.65 H new ATOM 0 HA LEU A 43 51.005 -77.468 -4.959 1.00 3.51 H new ATOM 0 HB2 LEU A 43 53.864 -78.116 -4.107 1.00 3.74 H new ATOM 0 HB3 LEU A 43 52.458 -78.288 -3.075 1.00 3.74 H new ATOM 0 HG LEU A 43 52.740 -79.704 -5.765 1.00 6.32 H new ATOM 0 HD11 LEU A 43 53.282 -81.718 -4.388 1.00 9.55 H new ATOM 0 HD12 LEU A 43 54.494 -80.438 -4.143 1.00 9.55 H new ATOM 0 HD13 LEU A 43 53.236 -80.718 -2.916 1.00 9.55 H new ATOM 0 HD21 LEU A 43 50.906 -81.122 -4.884 1.00 6.41 H new ATOM 0 HD22 LEU A 43 50.861 -80.144 -3.398 1.00 6.41 H new ATOM 0 HD23 LEU A 43 50.413 -79.413 -4.957 1.00 6.41 H new ATOM 699 N ILE A 44 51.109 -75.389 -3.684 1.00 4.58 N ATOM 700 CA ILE A 44 51.085 -74.089 -3.005 1.00 5.55 C ATOM 701 C ILE A 44 50.591 -74.243 -1.567 1.00 5.46 C ATOM 702 O ILE A 44 49.626 -74.965 -1.296 1.00 6.04 O ATOM 703 CB ILE A 44 50.149 -73.110 -3.762 1.00 6.80 C ATOM 704 CG1 ILE A 44 50.851 -72.504 -5.009 1.00 10.31 C ATOM 705 CG2 ILE A 44 49.727 -71.951 -2.834 1.00 7.39 C ATOM 706 CD1 ILE A 44 50.613 -73.345 -6.266 1.00 13.90 C ATOM 0 H ILE A 44 50.214 -75.879 -3.682 1.00 4.58 H new ATOM 0 HA ILE A 44 52.100 -73.692 -2.994 1.00 5.55 H new ATOM 0 HB ILE A 44 49.276 -73.679 -4.082 1.00 6.80 H new ATOM 0 HG12 ILE A 44 50.484 -71.491 -5.175 1.00 10.31 H new ATOM 0 HG13 ILE A 44 51.922 -72.428 -4.821 1.00 10.31 H new ATOM 0 HG21 ILE A 44 49.070 -71.271 -3.377 1.00 7.39 H new ATOM 0 HG22 ILE A 44 49.199 -72.352 -1.969 1.00 7.39 H new ATOM 0 HG23 ILE A 44 50.613 -71.411 -2.500 1.00 7.39 H new ATOM 0 HD11 ILE A 44 51.121 -72.885 -7.113 1.00 13.90 H new ATOM 0 HD12 ILE A 44 51.004 -74.350 -6.110 1.00 13.90 H new ATOM 0 HD13 ILE A 44 49.544 -73.399 -6.470 1.00 13.90 H new ATOM 718 N PHE A 45 51.241 -73.509 -0.663 1.00 6.75 N ATOM 719 CA PHE A 45 50.859 -73.498 0.747 1.00 4.70 C ATOM 720 C PHE A 45 50.941 -72.071 1.272 1.00 6.34 C ATOM 721 O PHE A 45 51.965 -71.403 1.131 1.00 5.45 O ATOM 722 CB PHE A 45 51.759 -74.422 1.570 1.00 5.51 C ATOM 723 CG PHE A 45 51.449 -74.254 3.040 1.00 5.98 C ATOM 724 CD1 PHE A 45 50.450 -75.030 3.639 1.00 5.87 C ATOM 725 CD2 PHE A 45 52.157 -73.317 3.802 1.00 6.86 C ATOM 726 CE1 PHE A 45 50.160 -74.871 4.999 1.00 6.64 C ATOM 727 CE2 PHE A 45 51.868 -73.157 5.163 1.00 6.68 C ATOM 728 CZ PHE A 45 50.869 -73.935 5.761 1.00 6.84 C ATOM 0 H PHE A 45 52.038 -72.912 -0.885 1.00 6.75 H new ATOM 0 HA PHE A 45 49.837 -73.866 0.840 1.00 4.70 H new ATOM 0 HB2 PHE A 45 51.603 -75.459 1.271 1.00 5.51 H new ATOM 0 HB3 PHE A 45 52.807 -74.190 1.380 1.00 5.51 H new ATOM 0 HD1 PHE A 45 49.903 -75.752 3.051 1.00 5.87 H new ATOM 0 HD2 PHE A 45 52.927 -72.717 3.340 1.00 6.86 H new ATOM 0 HE1 PHE A 45 49.389 -75.470 5.460 1.00 6.64 H new ATOM 0 HE2 PHE A 45 52.415 -72.434 5.751 1.00 6.68 H new ATOM 0 HZ PHE A 45 50.645 -73.813 6.811 1.00 6.84 H new ATOM 738 N ALA A 46 49.858 -71.614 1.882 1.00 6.53 N ATOM 739 CA ALA A 46 49.803 -70.271 2.436 1.00 7.15 C ATOM 740 C ALA A 46 50.262 -69.221 1.422 1.00 9.00 C ATOM 741 O ALA A 46 50.913 -68.239 1.779 1.00 11.15 O ATOM 742 CB ALA A 46 50.642 -70.208 3.713 1.00 8.99 C ATOM 0 H ALA A 46 49.003 -72.156 2.006 1.00 6.53 H new ATOM 0 HA ALA A 46 48.766 -70.041 2.680 1.00 7.15 H new ATOM 0 HB1 ALA A 46 50.600 -69.201 4.127 1.00 8.99 H new ATOM 0 HB2 ALA A 46 50.249 -70.917 4.442 1.00 8.99 H new ATOM 0 HB3 ALA A 46 51.676 -70.462 3.482 1.00 8.99 H new ATOM 748 N GLY A 47 49.858 -69.411 0.164 1.00 9.35 N ATOM 749 CA GLY A 47 50.172 -68.443 -0.887 1.00 11.68 C ATOM 750 C GLY A 47 51.579 -68.574 -1.476 1.00 11.14 C ATOM 751 O GLY A 47 51.942 -67.789 -2.352 1.00 13.93 O ATOM 0 H GLY A 47 49.318 -70.218 -0.149 1.00 9.35 H new ATOM 0 HA2 GLY A 47 49.444 -68.551 -1.691 1.00 11.68 H new ATOM 0 HA3 GLY A 47 50.054 -67.437 -0.483 1.00 11.68 H new ATOM 755 N LYS A 48 52.387 -69.533 -1.005 1.00 10.47 N ATOM 756 CA LYS A 48 53.759 -69.685 -1.522 1.00 8.82 C ATOM 757 C LYS A 48 53.927 -70.989 -2.305 1.00 7.68 C ATOM 758 O LYS A 48 53.447 -72.042 -1.885 1.00 6.47 O ATOM 759 CB LYS A 48 54.753 -69.713 -0.359 1.00 9.74 C ATOM 760 CG LYS A 48 54.563 -68.486 0.536 1.00 14.14 C ATOM 761 CD LYS A 48 55.512 -68.585 1.733 1.00 16.32 C ATOM 762 CE LYS A 48 55.332 -67.363 2.637 1.00 20.04 C ATOM 763 NZ LYS A 48 56.098 -67.561 3.900 1.00 23.92 N ATOM 0 H LYS A 48 52.125 -70.204 -0.282 1.00 10.47 H new ATOM 0 HA LYS A 48 53.948 -68.839 -2.183 1.00 8.82 H new ATOM 0 HB2 LYS A 48 54.613 -70.622 0.225 1.00 9.74 H new ATOM 0 HB3 LYS A 48 55.772 -69.736 -0.744 1.00 9.74 H new ATOM 0 HG2 LYS A 48 54.763 -67.575 -0.028 1.00 14.14 H new ATOM 0 HG3 LYS A 48 53.530 -68.428 0.879 1.00 14.14 H new ATOM 0 HD2 LYS A 48 55.311 -69.497 2.294 1.00 16.32 H new ATOM 0 HD3 LYS A 48 56.544 -68.645 1.387 1.00 16.32 H new ATOM 0 HE2 LYS A 48 55.679 -66.465 2.126 1.00 20.04 H new ATOM 0 HE3 LYS A 48 54.275 -67.215 2.860 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 55.976 -66.731 4.514 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 55.747 -68.409 4.390 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 57.107 -67.682 3.679 1.00 23.92 H new ATOM 777 N GLN A 49 54.651 -70.915 -3.424 1.00 8.89 N ATOM 778 CA GLN A 49 54.915 -72.107 -4.227 1.00 7.18 C ATOM 779 C GLN A 49 56.036 -72.893 -3.557 1.00 8.23 C ATOM 780 O GLN A 49 57.086 -72.338 -3.233 1.00 9.70 O ATOM 781 CB GLN A 49 55.315 -71.710 -5.648 1.00 11.67 C ATOM 782 CG GLN A 49 54.111 -71.094 -6.363 1.00 15.82 C ATOM 783 CD GLN A 49 54.548 -70.470 -7.685 1.00 20.21 C ATOM 784 OE1 GLN A 49 55.628 -69.884 -7.769 1.00 23.23 O ATOM 785 NE2 GLN A 49 53.764 -70.552 -8.725 1.00 20.67 N ATOM 0 H GLN A 49 55.059 -70.055 -3.789 1.00 8.89 H new ATOM 0 HA GLN A 49 54.018 -72.722 -4.292 1.00 7.18 H new ATOM 0 HB2 GLN A 49 56.139 -70.997 -5.620 1.00 11.67 H new ATOM 0 HB3 GLN A 49 55.669 -72.584 -6.195 1.00 11.67 H new ATOM 0 HG2 GLN A 49 53.356 -71.859 -6.545 1.00 15.82 H new ATOM 0 HG3 GLN A 49 53.651 -70.336 -5.729 1.00 15.82 H new ATOM 0 HE21 GLN A 49 52.870 -71.038 -8.653 1.00 20.67 H new ATOM 0 HE22 GLN A 49 54.045 -70.130 -9.610 1.00 20.67 H new ATOM 794 N LEU A 50 55.806 -74.182 -3.340 1.00 6.51 N ATOM 795 CA LEU A 50 56.804 -75.031 -2.694 1.00 7.41 C ATOM 796 C LEU A 50 57.782 -75.613 -3.718 1.00 8.27 C ATOM 797 O LEU A 50 57.380 -76.049 -4.797 1.00 8.34 O ATOM 798 CB LEU A 50 56.101 -76.169 -1.954 1.00 7.13 C ATOM 799 CG LEU A 50 55.014 -75.597 -1.038 1.00 7.53 C ATOM 800 CD1 LEU A 50 54.264 -76.751 -0.364 1.00 8.14 C ATOM 801 CD2 LEU A 50 55.650 -74.695 0.030 1.00 9.11 C ATOM 0 H LEU A 50 54.944 -74.662 -3.599 1.00 6.51 H new ATOM 0 HA LEU A 50 57.370 -74.421 -1.990 1.00 7.41 H new ATOM 0 HB2 LEU A 50 55.659 -76.862 -2.670 1.00 7.13 H new ATOM 0 HB3 LEU A 50 56.824 -76.735 -1.367 1.00 7.13 H new ATOM 0 HG LEU A 50 54.316 -75.004 -1.629 1.00 7.53 H new ATOM 0 HD11 LEU A 50 53.489 -76.349 0.289 1.00 8.14 H new ATOM 0 HD12 LEU A 50 53.805 -77.381 -1.126 1.00 8.14 H new ATOM 0 HD13 LEU A 50 54.963 -77.345 0.225 1.00 8.14 H new ATOM 0 HD21 LEU A 50 54.871 -74.292 0.677 1.00 9.11 H new ATOM 0 HD22 LEU A 50 56.352 -75.277 0.627 1.00 9.11 H new ATOM 0 HD23 LEU A 50 56.179 -73.874 -0.455 1.00 9.11 H new ATOM 813 N GLU A 51 59.076 -75.603 -3.371 1.00 9.43 N ATOM 814 CA GLU A 51 60.108 -76.123 -4.282 1.00 11.90 C ATOM 815 C GLU A 51 60.371 -77.611 -4.052 1.00 11.49 C ATOM 816 O GLU A 51 60.184 -78.129 -2.951 1.00 9.88 O ATOM 817 CB GLU A 51 61.408 -75.331 -4.129 1.00 16.56 C ATOM 818 CG GLU A 51 61.218 -73.922 -4.693 1.00 26.06 C ATOM 819 CD GLU A 51 62.507 -73.121 -4.546 1.00 29.86 C ATOM 820 OE1 GLU A 51 63.372 -73.558 -3.805 1.00 32.13 O ATOM 821 OE2 GLU A 51 62.613 -72.083 -5.178 1.00 33.44 O ATOM 0 H GLU A 51 59.430 -75.248 -2.483 1.00 9.43 H new ATOM 0 HA GLU A 51 59.733 -76.003 -5.299 1.00 11.90 H new ATOM 0 HB2 GLU A 51 61.692 -75.278 -3.078 1.00 16.56 H new ATOM 0 HB3 GLU A 51 62.218 -75.838 -4.653 1.00 16.56 H new ATOM 0 HG2 GLU A 51 60.933 -73.978 -5.744 1.00 26.06 H new ATOM 0 HG3 GLU A 51 60.406 -73.418 -4.169 1.00 26.06 H new ATOM 828 N ASP A 52 60.761 -78.296 -5.134 1.00 12.71 N ATOM 829 CA ASP A 52 60.998 -79.739 -5.083 1.00 16.56 C ATOM 830 C ASP A 52 62.236 -80.122 -4.254 1.00 15.83 C ATOM 831 O ASP A 52 62.357 -81.269 -3.826 1.00 17.21 O ATOM 832 CB ASP A 52 61.134 -80.285 -6.505 1.00 21.05 C ATOM 833 CG ASP A 52 59.796 -80.184 -7.221 1.00 25.12 C ATOM 834 OD1 ASP A 52 58.884 -79.617 -6.646 1.00 28.37 O ATOM 835 OD2 ASP A 52 59.702 -80.678 -8.333 1.00 25.82 O ATOM 0 H ASP A 52 60.918 -77.875 -6.050 1.00 12.71 H new ATOM 0 HA ASP A 52 60.139 -80.186 -4.583 1.00 16.56 H new ATOM 0 HB2 ASP A 52 61.893 -79.723 -7.050 1.00 21.05 H new ATOM 0 HB3 ASP A 52 61.465 -81.323 -6.477 1.00 21.05 H new ATOM 840 N GLY A 53 63.154 -79.183 -4.035 1.00 15.00 N ATOM 841 CA GLY A 53 64.375 -79.475 -3.261 1.00 11.77 C ATOM 842 C GLY A 53 64.233 -79.133 -1.769 1.00 11.10 C ATOM 843 O GLY A 53 65.196 -79.267 -1.013 1.00 11.25 O ATOM 0 H GLY A 53 63.085 -78.224 -4.374 1.00 15.00 H new ATOM 0 HA2 GLY A 53 64.621 -80.532 -3.365 1.00 11.77 H new ATOM 0 HA3 GLY A 53 65.208 -78.911 -3.680 1.00 11.77 H new ATOM 847 N ARG A 54 63.050 -78.704 -1.346 1.00 8.53 N ATOM 848 CA ARG A 54 62.826 -78.360 0.076 1.00 9.05 C ATOM 849 C ARG A 54 61.888 -79.376 0.759 1.00 8.96 C ATOM 850 O ARG A 54 61.221 -80.163 0.086 1.00 11.60 O ATOM 851 CB ARG A 54 62.211 -76.962 0.161 1.00 7.97 C ATOM 852 CG ARG A 54 63.154 -75.874 -0.389 1.00 9.62 C ATOM 853 CD ARG A 54 64.523 -75.911 0.300 1.00 12.20 C ATOM 854 NE ARG A 54 65.232 -74.657 0.067 1.00 18.23 N ATOM 855 CZ ARG A 54 66.528 -74.539 0.342 1.00 22.08 C ATOM 856 NH1 ARG A 54 67.024 -75.108 1.407 1.00 25.50 N ATOM 857 NH2 ARG A 54 67.304 -73.854 -0.452 1.00 23.38 N ATOM 0 H ARG A 54 62.235 -78.583 -1.947 1.00 8.53 H new ATOM 0 HA ARG A 54 63.786 -78.385 0.593 1.00 9.05 H new ATOM 0 HB2 ARG A 54 61.275 -76.945 -0.397 1.00 7.97 H new ATOM 0 HB3 ARG A 54 61.967 -76.737 1.199 1.00 7.97 H new ATOM 0 HG2 ARG A 54 63.283 -76.012 -1.462 1.00 9.62 H new ATOM 0 HG3 ARG A 54 62.701 -74.893 -0.246 1.00 9.62 H new ATOM 0 HD2 ARG A 54 64.397 -76.074 1.370 1.00 12.20 H new ATOM 0 HD3 ARG A 54 65.109 -76.747 -0.082 1.00 12.20 H new ATOM 0 HE ARG A 54 64.725 -73.858 -0.313 1.00 18.23 H new ATOM 0 HH11 ARG A 54 66.418 -75.643 2.028 1.00 25.50 H new ATOM 0 HH12 ARG A 54 68.018 -75.017 1.618 1.00 25.50 H new ATOM 0 HH21 ARG A 54 66.917 -73.409 -1.284 1.00 23.38 H new ATOM 0 HH22 ARG A 54 68.298 -73.764 -0.241 1.00 23.38 H new ATOM 871 N THR A 55 61.847 -79.352 2.111 1.00 9.05 N ATOM 872 CA THR A 55 60.985 -80.275 2.883 1.00 9.03 C ATOM 873 C THR A 55 59.773 -79.565 3.487 1.00 8.15 C ATOM 874 O THR A 55 59.708 -78.339 3.546 1.00 5.91 O ATOM 875 CB THR A 55 61.734 -80.919 4.059 1.00 11.15 C ATOM 876 OG1 THR A 55 62.135 -79.915 4.979 1.00 11.95 O ATOM 877 CG2 THR A 55 62.965 -81.680 3.558 1.00 11.71 C ATOM 0 H THR A 55 62.395 -78.711 2.685 1.00 9.05 H new ATOM 0 HA THR A 55 60.672 -81.030 2.162 1.00 9.03 H new ATOM 0 HB THR A 55 61.066 -81.622 4.556 1.00 11.15 H new ATOM 0 HG1 THR A 55 61.765 -80.116 5.864 1.00 11.95 H new ATOM 0 HG21 THR A 55 63.484 -82.130 4.404 1.00 11.71 H new ATOM 0 HG22 THR A 55 62.653 -82.462 2.866 1.00 11.71 H new ATOM 0 HG23 THR A 55 63.636 -80.990 3.046 1.00 11.71 H new ATOM 885 N LEU A 56 58.826 -80.382 3.961 1.00 6.91 N ATOM 886 CA LEU A 56 57.612 -79.861 4.603 1.00 8.29 C ATOM 887 C LEU A 56 57.962 -79.023 5.833 1.00 8.05 C ATOM 888 O LEU A 56 57.360 -77.973 6.057 1.00 10.17 O ATOM 889 CB LEU A 56 56.690 -81.007 5.048 1.00 6.60 C ATOM 890 CG LEU A 56 56.242 -81.852 3.849 1.00 7.73 C ATOM 891 CD1 LEU A 56 55.504 -83.089 4.365 1.00 9.85 C ATOM 892 CD2 LEU A 56 55.291 -81.049 2.952 1.00 8.64 C ATOM 0 H LEU A 56 58.875 -81.400 3.913 1.00 6.91 H new ATOM 0 HA LEU A 56 57.101 -79.241 3.866 1.00 8.29 H new ATOM 0 HB2 LEU A 56 57.211 -81.639 5.768 1.00 6.60 H new ATOM 0 HB3 LEU A 56 55.816 -80.599 5.556 1.00 6.60 H new ATOM 0 HG LEU A 56 57.120 -82.140 3.270 1.00 7.73 H new ATOM 0 HD11 LEU A 56 55.180 -83.698 3.521 1.00 9.85 H new ATOM 0 HD12 LEU A 56 56.171 -83.673 4.999 1.00 9.85 H new ATOM 0 HD13 LEU A 56 54.634 -82.779 4.943 1.00 9.85 H new ATOM 0 HD21 LEU A 56 54.983 -81.664 2.106 1.00 8.64 H new ATOM 0 HD22 LEU A 56 54.412 -80.754 3.525 1.00 8.64 H new ATOM 0 HD23 LEU A 56 55.801 -80.158 2.586 1.00 8.64 H new ATOM 904 N SER A 57 58.914 -79.492 6.651 1.00 8.92 N ATOM 905 CA SER A 57 59.264 -78.746 7.859 1.00 9.00 C ATOM 906 C SER A 57 59.807 -77.359 7.533 1.00 9.44 C ATOM 907 O SER A 57 59.645 -76.424 8.316 1.00 10.91 O ATOM 908 CB SER A 57 60.273 -79.502 8.722 1.00 10.32 C ATOM 909 OG SER A 57 61.462 -79.712 7.970 1.00 13.59 O ATOM 0 H SER A 57 59.438 -80.355 6.504 1.00 8.92 H new ATOM 0 HA SER A 57 58.339 -78.633 8.424 1.00 9.00 H new ATOM 0 HB2 SER A 57 60.495 -78.935 9.626 1.00 10.32 H new ATOM 0 HB3 SER A 57 59.855 -80.457 9.040 1.00 10.32 H new ATOM 0 HG SER A 57 62.115 -80.196 8.518 1.00 13.59 H new ATOM 915 N ASP A 58 60.452 -77.228 6.389 1.00 9.11 N ATOM 916 CA ASP A 58 61.013 -75.940 5.999 1.00 7.91 C ATOM 917 C ASP A 58 59.907 -74.902 5.841 1.00 9.12 C ATOM 918 O ASP A 58 60.137 -73.707 6.028 1.00 8.61 O ATOM 919 CB ASP A 58 61.782 -76.080 4.682 1.00 8.41 C ATOM 920 CG ASP A 58 63.044 -76.909 4.899 1.00 11.50 C ATOM 921 OD1 ASP A 58 63.623 -76.802 5.967 1.00 10.05 O ATOM 922 OD2 ASP A 58 63.410 -77.643 3.995 1.00 11.70 O ATOM 0 H ASP A 58 60.601 -77.983 5.720 1.00 9.11 H new ATOM 0 HA ASP A 58 61.696 -75.609 6.781 1.00 7.91 H new ATOM 0 HB2 ASP A 58 61.150 -76.555 3.931 1.00 8.41 H new ATOM 0 HB3 ASP A 58 62.046 -75.094 4.299 1.00 8.41 H new ATOM 927 N TYR A 59 58.700 -75.360 5.493 1.00 7.97 N ATOM 928 CA TYR A 59 57.562 -74.452 5.310 1.00 8.45 C ATOM 929 C TYR A 59 56.652 -74.437 6.535 1.00 10.98 C ATOM 930 O TYR A 59 55.525 -73.945 6.471 1.00 12.95 O ATOM 931 CB TYR A 59 56.731 -74.857 4.098 1.00 7.94 C ATOM 932 CG TYR A 59 57.550 -74.662 2.850 1.00 6.91 C ATOM 933 CD1 TYR A 59 57.646 -73.399 2.255 1.00 4.59 C ATOM 934 CD2 TYR A 59 58.218 -75.753 2.291 1.00 6.98 C ATOM 935 CE1 TYR A 59 58.413 -73.231 1.096 1.00 5.39 C ATOM 936 CE2 TYR A 59 58.981 -75.588 1.138 1.00 6.52 C ATOM 937 CZ TYR A 59 59.081 -74.328 0.536 1.00 6.76 C ATOM 938 OH TYR A 59 59.839 -74.167 -0.606 1.00 7.63 O ATOM 0 H TYR A 59 58.486 -76.345 5.334 1.00 7.97 H new ATOM 0 HA TYR A 59 57.979 -73.456 5.159 1.00 8.45 H new ATOM 0 HB2 TYR A 59 56.422 -75.899 4.186 1.00 7.94 H new ATOM 0 HB3 TYR A 59 55.822 -74.258 4.048 1.00 7.94 H new ATOM 0 HD1 TYR A 59 57.129 -72.556 2.689 1.00 4.59 H new ATOM 0 HD2 TYR A 59 58.143 -76.726 2.753 1.00 6.98 H new ATOM 0 HE1 TYR A 59 58.490 -72.258 0.634 1.00 5.39 H new ATOM 0 HE2 TYR A 59 59.497 -76.434 0.707 1.00 6.52 H new ATOM 0 HH TYR A 59 60.419 -74.948 -0.726 1.00 7.63 H new ATOM 948 N ASN A 60 57.146 -74.969 7.654 1.00 12.38 N ATOM 949 CA ASN A 60 56.396 -75.018 8.903 1.00 13.94 C ATOM 950 C ASN A 60 54.994 -75.592 8.708 1.00 14.16 C ATOM 951 O ASN A 60 54.036 -75.131 9.329 1.00 14.26 O ATOM 952 CB ASN A 60 56.303 -73.623 9.524 1.00 19.23 C ATOM 953 CG ASN A 60 57.672 -73.189 10.039 1.00 22.65 C ATOM 954 OD1 ASN A 60 58.530 -74.029 10.307 1.00 25.45 O ATOM 955 ND2 ASN A 60 57.931 -71.917 10.190 1.00 24.09 N ATOM 0 H ASN A 60 58.079 -75.378 7.716 1.00 12.38 H new ATOM 0 HA ASN A 60 56.937 -75.682 9.577 1.00 13.94 H new ATOM 0 HB2 ASN A 60 55.941 -72.910 8.784 1.00 19.23 H new ATOM 0 HB3 ASN A 60 55.582 -73.627 10.342 1.00 19.23 H new ATOM 0 HD21 ASN A 60 58.845 -71.620 10.530 1.00 24.09 H new ATOM 0 HD22 ASN A 60 57.219 -71.222 9.967 1.00 24.09 H new ATOM 962 N ILE A 61 54.883 -76.617 7.868 1.00 11.08 N ATOM 963 CA ILE A 61 53.591 -77.263 7.635 1.00 11.78 C ATOM 964 C ILE A 61 53.341 -78.247 8.777 1.00 13.74 C ATOM 965 O ILE A 61 54.183 -79.097 9.065 1.00 14.60 O ATOM 966 CB ILE A 61 53.605 -77.942 6.257 1.00 11.80 C ATOM 967 CG1 ILE A 61 53.685 -76.853 5.186 1.00 11.56 C ATOM 968 CG2 ILE A 61 52.328 -78.757 6.048 1.00 13.29 C ATOM 969 CD1 ILE A 61 53.941 -77.472 3.810 1.00 11.42 C ATOM 0 H ILE A 61 55.661 -77.016 7.342 1.00 11.08 H new ATOM 0 HA ILE A 61 52.775 -76.541 7.624 1.00 11.78 H new ATOM 0 HB ILE A 61 54.461 -78.613 6.192 1.00 11.80 H new ATOM 0 HG12 ILE A 61 52.756 -76.284 5.168 1.00 11.56 H new ATOM 0 HG13 ILE A 61 54.483 -76.152 5.430 1.00 11.56 H new ATOM 0 HG21 ILE A 61 52.355 -79.231 5.067 1.00 13.29 H new ATOM 0 HG22 ILE A 61 52.255 -79.524 6.819 1.00 13.29 H new ATOM 0 HG23 ILE A 61 51.462 -78.098 6.109 1.00 13.29 H new ATOM 0 HD11 ILE A 61 53.995 -76.683 3.060 1.00 11.42 H new ATOM 0 HD12 ILE A 61 54.883 -78.021 3.827 1.00 11.42 H new ATOM 0 HD13 ILE A 61 53.128 -78.154 3.561 1.00 11.42 H new ATOM 981 N GLN A 62 52.198 -78.096 9.465 1.00 13.97 N ATOM 982 CA GLN A 62 51.862 -78.937 10.623 1.00 15.52 C ATOM 983 C GLN A 62 50.760 -79.951 10.304 1.00 13.94 C ATOM 984 O GLN A 62 50.130 -79.901 9.247 1.00 12.15 O ATOM 985 CB GLN A 62 51.409 -78.026 11.764 1.00 19.53 C ATOM 986 CG GLN A 62 52.607 -77.236 12.296 1.00 26.38 C ATOM 987 CD GLN A 62 52.162 -76.318 13.429 1.00 30.61 C ATOM 988 OE1 GLN A 62 51.013 -75.876 13.456 1.00 33.23 O ATOM 989 NE2 GLN A 62 53.007 -76.001 14.371 1.00 32.71 N ATOM 0 H GLN A 62 51.490 -77.398 9.238 1.00 13.97 H new ATOM 0 HA GLN A 62 52.748 -79.506 10.904 1.00 15.52 H new ATOM 0 HB2 GLN A 62 50.637 -77.342 11.412 1.00 19.53 H new ATOM 0 HB3 GLN A 62 50.968 -78.620 12.564 1.00 19.53 H new ATOM 0 HG2 GLN A 62 53.376 -77.921 12.652 1.00 26.38 H new ATOM 0 HG3 GLN A 62 53.051 -76.648 11.493 1.00 26.38 H new ATOM 0 HE21 GLN A 62 53.958 -76.368 14.347 1.00 32.71 H new ATOM 0 HE22 GLN A 62 52.716 -75.386 15.131 1.00 32.71 H new ATOM 998 N LYS A 63 50.570 -80.889 11.233 1.00 11.73 N ATOM 999 CA LYS A 63 49.569 -81.933 11.027 1.00 11.97 C ATOM 1000 C LYS A 63 48.202 -81.353 10.662 1.00 10.41 C ATOM 1001 O LYS A 63 47.781 -80.321 11.185 1.00 9.59 O ATOM 1002 CB LYS A 63 49.402 -82.839 12.250 1.00 13.73 C ATOM 1003 CG LYS A 63 48.985 -81.993 13.453 1.00 16.98 C ATOM 1004 CD LYS A 63 49.060 -82.843 14.723 1.00 20.19 C ATOM 1005 CE LYS A 63 48.423 -82.082 15.887 1.00 23.42 C ATOM 1006 NZ LYS A 63 48.301 -82.988 17.064 1.00 25.97 N ATOM 0 H LYS A 63 51.082 -80.947 12.113 1.00 11.73 H new ATOM 0 HA LYS A 63 49.946 -82.529 10.196 1.00 11.97 H new ATOM 0 HB2 LYS A 63 48.651 -83.603 12.051 1.00 13.73 H new ATOM 0 HB3 LYS A 63 50.337 -83.358 12.463 1.00 13.73 H new ATOM 0 HG2 LYS A 63 49.637 -81.125 13.544 1.00 16.98 H new ATOM 0 HG3 LYS A 63 47.972 -81.617 13.313 1.00 16.98 H new ATOM 0 HD2 LYS A 63 48.544 -83.791 14.569 1.00 20.19 H new ATOM 0 HD3 LYS A 63 50.099 -83.079 14.954 1.00 20.19 H new ATOM 0 HE2 LYS A 63 49.030 -81.214 16.144 1.00 23.42 H new ATOM 0 HE3 LYS A 63 47.440 -81.709 15.598 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 47.868 -82.472 17.856 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 47.705 -83.803 16.815 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 49.245 -83.323 17.344 1.00 25.97 H new ATOM 1020 N GLU A 64 47.535 -82.036 9.737 1.00 10.04 N ATOM 1021 CA GLU A 64 46.220 -81.637 9.235 1.00 10.94 C ATOM 1022 C GLU A 64 46.278 -80.342 8.433 1.00 9.74 C ATOM 1023 O GLU A 64 45.259 -79.674 8.256 1.00 9.42 O ATOM 1024 CB GLU A 64 45.142 -81.491 10.321 1.00 18.31 C ATOM 1025 CG GLU A 64 44.960 -82.820 11.074 1.00 24.16 C ATOM 1026 CD GLU A 64 44.758 -83.986 10.110 1.00 29.00 C ATOM 1027 OE1 GLU A 64 45.747 -84.587 9.722 1.00 31.72 O ATOM 1028 OE2 GLU A 64 43.617 -84.269 9.785 1.00 32.61 O ATOM 0 H GLU A 64 47.893 -82.890 9.309 1.00 10.04 H new ATOM 0 HA GLU A 64 45.929 -82.466 8.589 1.00 10.94 H new ATOM 0 HB2 GLU A 64 45.425 -80.705 11.021 1.00 18.31 H new ATOM 0 HB3 GLU A 64 44.198 -81.190 9.868 1.00 18.31 H new ATOM 0 HG2 GLU A 64 45.834 -83.009 11.697 1.00 24.16 H new ATOM 0 HG3 GLU A 64 44.102 -82.746 11.742 1.00 24.16 H new ATOM 1035 N SER A 65 47.441 -80.026 7.885 1.00 6.85 N ATOM 1036 CA SER A 65 47.584 -78.857 7.029 1.00 6.90 C ATOM 1037 C SER A 65 47.006 -79.194 5.663 1.00 4.72 C ATOM 1038 O SER A 65 47.032 -80.349 5.237 1.00 3.91 O ATOM 1039 CB SER A 65 49.054 -78.479 6.899 1.00 7.28 C ATOM 1040 OG SER A 65 49.510 -77.912 8.120 1.00 10.56 O ATOM 0 H SER A 65 48.299 -80.561 8.017 1.00 6.85 H new ATOM 0 HA SER A 65 47.052 -78.009 7.461 1.00 6.90 H new ATOM 0 HB2 SER A 65 49.646 -79.360 6.652 1.00 7.28 H new ATOM 0 HB3 SER A 65 49.186 -77.767 6.084 1.00 7.28 H new ATOM 0 HG SER A 65 49.599 -78.617 8.795 1.00 10.56 H new ATOM 1046 N THR A 66 46.485 -78.177 4.970 1.00 4.48 N ATOM 1047 CA THR A 66 45.904 -78.366 3.641 1.00 3.80 C ATOM 1048 C THR A 66 46.789 -77.706 2.584 1.00 4.60 C ATOM 1049 O THR A 66 47.089 -76.515 2.656 1.00 5.33 O ATOM 1050 CB THR A 66 44.504 -77.750 3.582 1.00 2.85 C ATOM 1051 OG1 THR A 66 43.672 -78.376 4.548 1.00 2.15 O ATOM 1052 CG2 THR A 66 43.909 -77.953 2.187 1.00 3.40 C ATOM 0 H THR A 66 46.455 -77.215 5.309 1.00 4.48 H new ATOM 0 HA THR A 66 45.836 -79.436 3.443 1.00 3.80 H new ATOM 0 HB THR A 66 44.570 -76.683 3.793 1.00 2.85 H new ATOM 0 HG1 THR A 66 42.776 -77.981 4.513 1.00 2.15 H new ATOM 0 HG21 THR A 66 42.912 -77.513 2.149 1.00 3.40 H new ATOM 0 HG22 THR A 66 44.547 -77.471 1.446 1.00 3.40 H new ATOM 0 HG23 THR A 66 43.843 -79.019 1.971 1.00 3.40 H new ATOM 1060 N LEU A 67 47.167 -78.499 1.586 1.00 4.17 N ATOM 1061 CA LEU A 67 47.983 -78.034 0.466 1.00 3.85 C ATOM 1062 C LEU A 67 47.064 -77.877 -0.739 1.00 3.80 C ATOM 1063 O LEU A 67 46.001 -78.494 -0.813 1.00 5.54 O ATOM 1064 CB LEU A 67 49.079 -79.077 0.160 1.00 7.18 C ATOM 1065 CG LEU A 67 50.360 -78.761 0.932 1.00 9.67 C ATOM 1066 CD1 LEU A 67 50.082 -78.750 2.437 1.00 8.12 C ATOM 1067 CD2 LEU A 67 51.423 -79.819 0.614 1.00 11.66 C ATOM 0 H LEU A 67 46.916 -79.486 1.530 1.00 4.17 H new ATOM 0 HA LEU A 67 48.464 -77.085 0.703 1.00 3.85 H new ATOM 0 HB2 LEU A 67 48.724 -80.073 0.427 1.00 7.18 H new ATOM 0 HB3 LEU A 67 49.287 -79.089 -0.910 1.00 7.18 H new ATOM 0 HG LEU A 67 50.721 -77.777 0.632 1.00 9.67 H new ATOM 0 HD11 LEU A 67 51.002 -78.524 2.975 1.00 8.12 H new ATOM 0 HD12 LEU A 67 49.333 -77.991 2.663 1.00 8.12 H new ATOM 0 HD13 LEU A 67 49.712 -79.728 2.746 1.00 8.12 H new ATOM 0 HD21 LEU A 67 52.337 -79.594 1.164 1.00 11.66 H new ATOM 0 HD22 LEU A 67 51.056 -80.803 0.907 1.00 11.66 H new ATOM 0 HD23 LEU A 67 51.633 -79.814 -0.456 1.00 11.66 H new ATOM 1079 N HIS A 68 47.493 -77.046 -1.693 1.00 2.94 N ATOM 1080 CA HIS A 68 46.730 -76.804 -2.915 1.00 4.17 C ATOM 1081 C HIS A 68 47.534 -77.297 -4.114 1.00 5.32 C ATOM 1082 O HIS A 68 48.719 -76.985 -4.248 1.00 7.70 O ATOM 1083 CB HIS A 68 46.448 -75.307 -3.064 1.00 5.57 C ATOM 1084 CG HIS A 68 45.499 -74.862 -1.986 1.00 9.95 C ATOM 1085 ND1 HIS A 68 45.943 -74.404 -0.756 1.00 13.74 N ATOM 1086 CD2 HIS A 68 44.128 -74.793 -1.940 1.00 12.79 C ATOM 1087 CE1 HIS A 68 44.859 -74.082 -0.027 1.00 14.75 C ATOM 1088 NE2 HIS A 68 43.726 -74.300 -0.702 1.00 16.30 N ATOM 0 H HIS A 68 48.370 -76.528 -1.639 1.00 2.94 H new ATOM 0 HA HIS A 68 45.782 -77.340 -2.864 1.00 4.17 H new ATOM 0 HB2 HIS A 68 47.379 -74.743 -2.999 1.00 5.57 H new ATOM 0 HB3 HIS A 68 46.020 -75.103 -4.046 1.00 5.57 H new ATOM 0 HD2 HIS A 68 43.463 -75.078 -2.742 1.00 12.79 H new ATOM 0 HE1 HIS A 68 44.899 -73.695 0.980 1.00 14.75 H new ATOM 0 HE2 HIS A 68 42.772 -74.140 -0.379 1.00 16.30 H new ATOM 1096 N LEU A 69 46.884 -78.069 -4.984 1.00 5.29 N ATOM 1097 CA LEU A 69 47.535 -78.613 -6.179 1.00 3.97 C ATOM 1098 C LEU A 69 47.060 -77.843 -7.410 1.00 5.07 C ATOM 1099 O LEU A 69 45.860 -77.652 -7.604 1.00 4.34 O ATOM 1100 CB LEU A 69 47.164 -80.101 -6.339 1.00 6.08 C ATOM 1101 CG LEU A 69 47.818 -80.731 -7.578 1.00 7.37 C ATOM 1102 CD1 LEU A 69 49.317 -80.926 -7.353 1.00 6.87 C ATOM 1103 CD2 LEU A 69 47.170 -82.093 -7.846 1.00 9.96 C ATOM 0 H LEU A 69 45.904 -78.333 -4.885 1.00 5.29 H new ATOM 0 HA LEU A 69 48.616 -78.515 -6.077 1.00 3.97 H new ATOM 0 HB2 LEU A 69 47.473 -80.649 -5.449 1.00 6.08 H new ATOM 0 HB3 LEU A 69 46.081 -80.198 -6.413 1.00 6.08 H new ATOM 0 HG LEU A 69 47.673 -80.067 -8.430 1.00 7.37 H new ATOM 0 HD11 LEU A 69 49.763 -81.373 -8.241 1.00 6.87 H new ATOM 0 HD12 LEU A 69 49.784 -79.961 -7.159 1.00 6.87 H new ATOM 0 HD13 LEU A 69 49.474 -81.583 -6.498 1.00 6.87 H new ATOM 0 HD21 LEU A 69 47.628 -82.548 -8.724 1.00 9.96 H new ATOM 0 HD22 LEU A 69 47.317 -82.742 -6.983 1.00 9.96 H new ATOM 0 HD23 LEU A 69 46.103 -81.960 -8.022 1.00 9.96 H new ATOM 1115 N VAL A 70 48.013 -77.414 -8.260 1.00 4.29 N ATOM 1116 CA VAL A 70 47.733 -76.683 -9.496 1.00 6.26 C ATOM 1117 C VAL A 70 48.315 -77.484 -10.655 1.00 9.22 C ATOM 1118 O VAL A 70 49.438 -77.979 -10.593 1.00 9.36 O ATOM 1119 CB VAL A 70 48.377 -75.291 -9.414 1.00 8.69 C ATOM 1120 CG1 VAL A 70 48.673 -74.714 -10.809 1.00 9.76 C ATOM 1121 CG2 VAL A 70 47.459 -74.329 -8.677 1.00 8.54 C ATOM 0 H VAL A 70 49.008 -77.571 -8.099 1.00 4.29 H new ATOM 0 HA VAL A 70 46.661 -76.555 -9.645 1.00 6.26 H new ATOM 0 HB VAL A 70 49.318 -75.406 -8.876 1.00 8.69 H new ATOM 0 HG11 VAL A 70 49.128 -73.729 -10.706 1.00 9.76 H new ATOM 0 HG12 VAL A 70 49.358 -75.376 -11.339 1.00 9.76 H new ATOM 0 HG13 VAL A 70 47.743 -74.628 -11.372 1.00 9.76 H new ATOM 0 HG21 VAL A 70 47.927 -73.346 -8.626 1.00 8.54 H new ATOM 0 HG22 VAL A 70 46.511 -74.252 -9.209 1.00 8.54 H new ATOM 0 HG23 VAL A 70 47.280 -74.698 -7.667 1.00 8.54 H new ATOM 1131 N LEU A 71 47.527 -77.593 -11.708 1.00 12.71 N ATOM 1132 CA LEU A 71 47.930 -78.321 -12.913 1.00 16.06 C ATOM 1133 C LEU A 71 48.406 -77.346 -13.985 1.00 18.09 C ATOM 1134 O LEU A 71 47.722 -76.372 -14.298 1.00 19.26 O ATOM 1135 CB LEU A 71 46.746 -79.128 -13.452 1.00 17.10 C ATOM 1136 CG LEU A 71 46.270 -80.133 -12.394 1.00 19.37 C ATOM 1137 CD1 LEU A 71 44.976 -80.795 -12.878 1.00 17.51 C ATOM 1138 CD2 LEU A 71 47.347 -81.211 -12.160 1.00 19.57 C ATOM 0 H LEU A 71 46.594 -77.185 -11.760 1.00 12.71 H new ATOM 0 HA LEU A 71 48.746 -78.996 -12.656 1.00 16.06 H new ATOM 0 HB2 LEU A 71 45.930 -78.457 -13.721 1.00 17.10 H new ATOM 0 HB3 LEU A 71 47.038 -79.655 -14.360 1.00 17.10 H new ATOM 0 HG LEU A 71 46.090 -79.609 -11.455 1.00 19.37 H new ATOM 0 HD11 LEU A 71 44.632 -81.510 -12.131 1.00 17.51 H new ATOM 0 HD12 LEU A 71 44.212 -80.033 -13.029 1.00 17.51 H new ATOM 0 HD13 LEU A 71 45.162 -81.314 -13.818 1.00 17.51 H new ATOM 0 HD21 LEU A 71 46.997 -81.918 -11.407 1.00 19.57 H new ATOM 0 HD22 LEU A 71 47.540 -81.741 -13.093 1.00 19.57 H new ATOM 0 HD23 LEU A 71 48.266 -80.738 -11.814 1.00 19.57 H new ATOM 1150 N ARG A 72 49.580 -77.617 -14.552 1.00 21.47 N ATOM 1151 CA ARG A 72 50.142 -76.761 -15.598 1.00 25.83 C ATOM 1152 C ARG A 72 50.005 -77.440 -16.958 1.00 27.74 C ATOM 1153 O ARG A 72 50.982 -77.944 -17.512 1.00 30.65 O ATOM 1154 CB ARG A 72 51.618 -76.502 -15.301 1.00 28.49 C ATOM 1155 CG ARG A 72 52.161 -75.466 -16.284 1.00 31.79 C ATOM 1156 CD ARG A 72 53.635 -75.212 -15.980 1.00 34.05 C ATOM 1157 NE ARG A 72 54.129 -74.087 -16.766 1.00 35.08 N ATOM 1158 CZ ARG A 72 55.290 -73.506 -16.479 1.00 34.67 C ATOM 1159 NH1 ARG A 72 56.313 -74.231 -16.118 1.00 35.02 N ATOM 1160 NH2 ARG A 72 55.406 -72.209 -16.560 1.00 34.97 N ATOM 0 H ARG A 72 50.160 -78.419 -14.307 1.00 21.47 H new ATOM 0 HA ARG A 72 49.601 -75.815 -15.618 1.00 25.83 H new ATOM 0 HB2 ARG A 72 51.737 -76.146 -14.278 1.00 28.49 H new ATOM 0 HB3 ARG A 72 52.185 -77.429 -15.383 1.00 28.49 H new ATOM 0 HG2 ARG A 72 52.044 -75.822 -17.308 1.00 31.79 H new ATOM 0 HG3 ARG A 72 51.595 -74.538 -16.203 1.00 31.79 H new ATOM 0 HD2 ARG A 72 53.764 -75.006 -14.917 1.00 34.05 H new ATOM 0 HD3 ARG A 72 54.218 -76.105 -16.204 1.00 34.05 H new ATOM 0 HE ARG A 72 53.575 -73.740 -17.549 1.00 35.08 H new ATOM 0 HH11 ARG A 72 56.223 -75.245 -16.056 1.00 35.02 H new ATOM 0 HH12 ARG A 72 57.203 -73.784 -15.898 1.00 35.02 H new ATOM 0 HH21 ARG A 72 54.607 -71.642 -16.843 1.00 34.97 H new ATOM 0 HH22 ARG A 72 56.296 -71.762 -16.340 1.00 34.97 H new ATOM 1174 N LEU A 73 48.779 -77.455 -17.491 0.45 28.93 N ATOM 1175 CA LEU A 73 48.510 -78.083 -18.790 0.45 30.76 C ATOM 1176 C LEU A 73 47.838 -77.086 -19.729 0.45 32.18 C ATOM 1177 O LEU A 73 47.247 -77.455 -20.743 0.45 32.31 O ATOM 1178 CB LEU A 73 47.610 -79.314 -18.595 0.45 30.53 C ATOM 1179 CG LEU A 73 47.722 -80.264 -19.810 0.45 30.16 C ATOM 1180 CD1 LEU A 73 48.897 -81.230 -19.614 0.45 29.57 C ATOM 1181 CD2 LEU A 73 46.430 -81.078 -19.954 0.45 29.11 C ATOM 0 H LEU A 73 47.960 -77.041 -17.046 0.45 28.93 H new ATOM 0 HA LEU A 73 49.454 -78.398 -19.234 0.45 30.76 H new ATOM 0 HB2 LEU A 73 47.897 -79.842 -17.686 0.45 30.53 H new ATOM 0 HB3 LEU A 73 46.575 -78.998 -18.467 0.45 30.53 H new ATOM 0 HG LEU A 73 47.885 -79.666 -20.707 0.45 30.16 H new ATOM 0 HD11 LEU A 73 48.968 -81.895 -20.474 0.45 29.57 H new ATOM 0 HD12 LEU A 73 49.822 -80.662 -19.516 0.45 29.57 H new ATOM 0 HD13 LEU A 73 48.736 -81.820 -18.712 0.45 29.57 H new ATOM 0 HD21 LEU A 73 46.514 -81.746 -20.811 0.45 29.11 H new ATOM 0 HD22 LEU A 73 46.268 -81.666 -19.051 0.45 29.11 H new ATOM 0 HD23 LEU A 73 45.588 -80.401 -20.102 0.45 29.11 H new ATOM 1193 N ARG A 74 47.937 -75.819 -19.368 0.45 33.82 N ATOM 1194 CA ARG A 74 47.346 -74.733 -20.153 0.45 35.33 C ATOM 1195 C ARG A 74 48.152 -73.449 -19.978 0.45 36.22 C ATOM 1196 O ARG A 74 48.896 -73.299 -19.009 0.45 36.70 O ATOM 1197 CB ARG A 74 45.896 -74.486 -19.705 0.45 36.91 C ATOM 1198 CG ARG A 74 44.997 -75.652 -20.134 0.45 38.62 C ATOM 1199 CD ARG A 74 43.561 -75.386 -19.678 0.45 39.75 C ATOM 1200 NE ARG A 74 43.507 -75.276 -18.223 0.45 41.13 N ATOM 1201 CZ ARG A 74 43.425 -76.362 -17.457 0.45 41.91 C ATOM 1202 NH1 ARG A 74 42.305 -77.028 -17.386 0.45 41.93 N ATOM 1203 NH2 ARG A 74 44.466 -76.766 -16.782 0.45 42.75 N ATOM 0 H ARG A 74 48.425 -75.508 -18.528 0.45 33.82 H new ATOM 0 HA ARG A 74 47.359 -75.023 -21.204 0.45 35.33 H new ATOM 0 HB2 ARG A 74 45.858 -74.369 -18.622 0.45 36.91 H new ATOM 0 HB3 ARG A 74 45.528 -73.556 -20.139 0.45 36.91 H new ATOM 0 HG2 ARG A 74 45.030 -75.770 -21.217 0.45 38.62 H new ATOM 0 HG3 ARG A 74 45.361 -76.584 -19.700 0.45 38.62 H new ATOM 0 HD2 ARG A 74 43.191 -74.467 -20.134 0.45 39.75 H new ATOM 0 HD3 ARG A 74 42.910 -76.193 -20.014 0.45 39.75 H new ATOM 0 HE ARG A 74 43.532 -74.354 -17.787 0.45 41.13 H new ATOM 0 HH11 ARG A 74 41.492 -76.717 -17.917 0.45 41.93 H new ATOM 0 HH12 ARG A 74 42.243 -77.860 -16.799 0.45 41.93 H new ATOM 0 HH21 ARG A 74 45.344 -76.250 -16.841 0.45 42.75 H new ATOM 0 HH22 ARG A 74 44.402 -77.598 -16.196 0.45 42.75 H new ATOM 1217 N GLY A 75 47.996 -72.524 -20.919 0.25 36.31 N ATOM 1218 CA GLY A 75 48.711 -71.253 -20.856 0.25 36.07 C ATOM 1219 C GLY A 75 48.336 -70.471 -19.604 0.25 36.16 C ATOM 1220 O GLY A 75 49.201 -69.924 -18.919 0.25 36.26 O ATOM 0 H GLY A 75 47.385 -72.628 -21.729 0.25 36.31 H new ATOM 0 HA2 GLY A 75 49.785 -71.436 -20.865 0.25 36.07 H new ATOM 0 HA3 GLY A 75 48.481 -70.659 -21.741 0.25 36.07 H new ATOM 1224 N GLY A 76 47.041 -70.419 -19.312 0.25 36.05 N ATOM 1225 CA GLY A 76 46.562 -69.696 -18.140 0.25 36.19 C ATOM 1226 C GLY A 76 45.064 -69.904 -17.948 0.25 36.20 C ATOM 1227 O GLY A 76 44.388 -70.141 -18.935 1.00 0.00 O ATOM 1228 OXT GLY A 76 44.615 -69.821 -16.817 1.00 0.00 O ATOM 0 H GLY A 76 46.310 -70.865 -19.866 0.25 36.05 H new ATOM 0 HA2 GLY A 76 47.097 -70.037 -17.254 0.25 36.19 H new ATOM 0 HA3 GLY A 76 46.774 -68.633 -18.252 0.25 36.19 H new TER 1232 GLY A 76