USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 THR OG1 : rot -38:sc= 0.207 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.778 K(o=0.99,f=-5.6!) USER MOD Set 2.1: A 7 THR OG1 : rot 118:sc= 0.383 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.0263 USER MOD Single : A 1 MET CE :methyl -123:sc= 0 (180deg=-0.109) USER MOD Single : A 1 MET N :NH3+ -156:sc= 1.72 (180deg=1.27) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 153:sc= 1.16 (180deg=-0.553!) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.12 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -177:sc= 1.29 (180deg=1.12) USER MOD Single : A 29 LYS NZ :NH3+ -167:sc= 1.28 (180deg=1.13) USER MOD Single : A 31 GLN : amide:sc= -0.789 K(o=-0.79,f=-2!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 41 GLN : amide:sc= 0.813 K(o=0.81,f=-4.2!) USER MOD Single : A 48 LYS NZ :NH3+ 149:sc= 1.14 (180deg=0.393) USER MOD Single : A 49 GLN : amide:sc= -0.139 K(o=-0.14,f=-1.3) USER MOD Single : A 55 THR OG1 : rot -73:sc= 1.19 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 15:sc= 0.276 USER MOD Single : A 60 ASN : amide:sc= -0.036 X(o=-0.036,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.0174 K(o=-0.017,f=-1.6!) USER MOD Single : A 63 LYS NZ :NH3+ 168:sc=-0.00529 (180deg=-0.17) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.189 K(o=-0.19,f=-0.93) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.303 -7.525 -5.202 1.00 9.67 N ATOM 2 CA MET A 1 11.142 -7.493 -3.700 1.00 10.38 C ATOM 3 C MET A 1 9.760 -7.782 -3.259 1.00 9.62 C ATOM 4 O MET A 1 8.730 -7.291 -3.734 1.00 9.62 O ATOM 5 CB MET A 1 11.652 -6.114 -3.210 1.00 13.77 C ATOM 6 CG MET A 1 11.941 -6.024 -1.723 1.00 16.29 C ATOM 7 SD MET A 1 12.546 -4.351 -1.252 1.00 17.17 S ATOM 8 CE MET A 1 10.995 -3.459 -1.276 1.00 16.11 C ATOM 0 H1 MET A 1 12.296 -7.723 -5.441 1.00 9.67 H new ATOM 0 H2 MET A 1 10.696 -8.270 -5.600 1.00 9.67 H new ATOM 0 H3 MET A 1 11.028 -6.604 -5.600 1.00 9.67 H new ATOM 0 HA MET A 1 11.733 -8.291 -3.250 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.562 -5.866 -3.757 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.910 -5.358 -3.466 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.036 -6.256 -1.161 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.686 -6.771 -1.450 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.069 -2.619 -1.966 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.197 -4.126 -1.601 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.773 -3.088 -0.275 1.00 16.11 H new ATOM 20 N GLN A 2 9.605 -8.737 -2.258 1.00 9.27 N ATOM 21 CA GLN A 2 8.313 -9.216 -1.745 1.00 9.07 C ATOM 22 C GLN A 2 7.904 -8.503 -0.472 1.00 8.72 C ATOM 23 O GLN A 2 8.651 -8.456 0.498 1.00 8.22 O ATOM 24 CB GLN A 2 8.354 -10.735 -1.415 1.00 14.46 C ATOM 25 CG GLN A 2 7.128 -11.333 -0.720 1.00 17.01 C ATOM 26 CD GLN A 2 7.228 -12.839 -0.718 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.655 -13.476 0.275 1.00 21.89 O ATOM 28 NE2 GLN A 2 6.876 -13.516 -1.843 1.00 19.49 N ATOM 0 H GLN A 2 10.402 -9.181 -1.801 1.00 9.27 H new ATOM 0 HA GLN A 2 7.595 -9.012 -2.540 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.513 -11.279 -2.346 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.224 -10.920 -0.785 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.061 -10.962 0.303 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.219 -11.020 -1.233 1.00 17.01 H new ATOM 0 HE21 GLN A 2 6.528 -13.008 -2.656 1.00 19.49 H new ATOM 0 HE22 GLN A 2 6.960 -14.532 -1.874 1.00 19.49 H new ATOM 37 N ILE A 3 6.717 -7.887 -0.490 1.00 5.87 N ATOM 38 CA ILE A 3 6.118 -7.284 0.683 1.00 5.07 C ATOM 39 C ILE A 3 4.794 -7.939 1.072 1.00 4.01 C ATOM 40 O ILE A 3 4.196 -8.770 0.364 1.00 4.61 O ATOM 41 CB ILE A 3 6.001 -5.742 0.591 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.334 -5.257 -0.707 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.373 -5.099 0.884 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.881 -3.782 -0.717 1.00 10.83 C ATOM 0 H ILE A 3 6.148 -7.798 -1.332 1.00 5.87 H new ATOM 0 HA ILE A 3 6.817 -7.483 1.495 1.00 5.07 H new ATOM 0 HB ILE A 3 5.312 -5.400 1.363 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.031 -5.409 -1.531 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.466 -5.886 -0.904 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.288 -4.014 0.819 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.699 -5.378 1.886 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.103 -5.450 0.154 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.425 -3.548 -1.679 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.154 -3.619 0.079 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.744 -3.135 -0.558 1.00 10.83 H new ATOM 56 N PHE A 4 4.316 -7.594 2.308 1.00 4.55 N ATOM 57 CA PHE A 4 3.157 -8.070 2.963 1.00 4.68 C ATOM 58 C PHE A 4 2.276 -6.878 3.333 1.00 5.30 C ATOM 59 O PHE A 4 2.817 -5.964 3.973 1.00 5.58 O ATOM 60 CB PHE A 4 3.524 -8.767 4.301 1.00 4.83 C ATOM 61 CG PHE A 4 4.354 -10.041 4.034 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.163 -10.822 2.895 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.478 -10.315 4.898 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.142 -11.779 2.560 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.408 -11.327 4.559 1.00 10.61 C ATOM 66 CZ PHE A 4 6.198 -12.094 3.411 1.00 8.90 C ATOM 0 H PHE A 4 4.811 -6.912 2.883 1.00 4.55 H new ATOM 0 HA PHE A 4 2.656 -8.769 2.293 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.090 -8.082 4.932 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.616 -9.025 4.845 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.283 -10.696 2.282 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.610 -9.746 5.806 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.070 -12.286 1.609 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.272 -11.504 5.182 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.850 -12.925 3.185 1.00 8.90 H new ATOM 76 N VAL A 5 1.014 -6.856 3.058 1.00 4.44 N ATOM 77 CA VAL A 5 0.114 -5.716 3.321 1.00 3.87 C ATOM 78 C VAL A 5 -1.003 -6.238 4.154 1.00 4.93 C ATOM 79 O VAL A 5 -1.760 -7.106 3.632 1.00 6.84 O ATOM 80 CB VAL A 5 -0.532 -5.090 2.136 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.126 -3.699 2.545 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.438 -4.901 0.983 1.00 9.13 C ATOM 0 H VAL A 5 0.536 -7.648 2.627 1.00 4.44 H new ATOM 0 HA VAL A 5 0.742 -4.949 3.774 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.320 -5.762 1.797 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.600 -3.237 1.679 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -1.866 -3.837 3.333 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.326 -3.054 2.907 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.081 -4.441 0.142 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.258 -4.257 1.299 1.00 9.13 H new ATOM 0 HG23 VAL A 5 0.834 -5.870 0.678 1.00 9.13 H new ATOM 92 N LYS A 6 -1.253 -5.707 5.368 1.00 6.04 N ATOM 93 CA LYS A 6 -2.319 -6.288 6.200 1.00 6.12 C ATOM 94 C LYS A 6 -3.371 -5.191 6.375 1.00 6.57 C ATOM 95 O LYS A 6 -3.079 -4.008 6.689 1.00 5.76 O ATOM 96 CB LYS A 6 -1.718 -6.687 7.653 1.00 7.45 C ATOM 97 CG LYS A 6 -1.126 -5.564 8.547 1.00 11.12 C ATOM 98 CD LYS A 6 -0.669 -6.109 9.891 1.00 14.54 C ATOM 99 CE LYS A 6 -1.770 -6.423 10.895 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.230 -6.992 12.090 1.00 20.55 N ATOM 0 H LYS A 6 -0.757 -4.915 5.777 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.740 -7.182 5.741 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -2.513 -7.175 8.217 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -0.937 -7.431 7.495 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.284 -5.096 8.037 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -1.875 -4.788 8.703 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.095 -7.019 9.715 1.00 14.54 H new ATOM 0 HD3 LYS A 6 0.010 -5.386 10.342 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -2.316 -5.511 11.137 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.485 -7.115 10.450 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -2.002 -7.196 12.757 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.729 -7.874 11.859 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.566 -6.320 12.525 1.00 20.55 H new ATOM 114 N THR A 7 -4.651 -5.524 6.134 1.00 7.41 N ATOM 115 CA THR A 7 -5.808 -4.622 6.384 1.00 7.48 C ATOM 116 C THR A 7 -6.092 -4.539 7.830 1.00 8.75 C ATOM 117 O THR A 7 -5.628 -5.259 8.716 1.00 8.58 O ATOM 118 CB THR A 7 -7.034 -5.117 5.620 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.321 -6.519 5.868 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.810 -4.954 4.166 1.00 9.17 C ATOM 0 H THR A 7 -4.922 -6.432 5.757 1.00 7.41 H new ATOM 0 HA THR A 7 -5.559 -3.622 6.028 1.00 7.48 H new ATOM 0 HB THR A 7 -7.880 -4.524 5.968 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.205 -6.604 6.283 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.685 -5.307 3.621 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.642 -3.901 3.939 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.937 -5.533 3.865 1.00 9.17 H new ATOM 128 N LEU A 8 -6.937 -3.558 8.172 1.00 9.84 N ATOM 129 CA LEU A 8 -7.437 -3.234 9.471 1.00 14.15 C ATOM 130 C LEU A 8 -8.330 -4.330 10.073 1.00 17.37 C ATOM 131 O LEU A 8 -8.460 -4.514 11.294 1.00 17.01 O ATOM 132 CB LEU A 8 -8.243 -1.899 9.427 1.00 16.63 C ATOM 133 CG LEU A 8 -8.635 -1.273 10.723 1.00 18.88 C ATOM 134 CD1 LEU A 8 -7.413 -0.802 11.491 1.00 19.31 C ATOM 135 CD2 LEU A 8 -9.538 -0.065 10.453 1.00 18.59 C ATOM 0 H LEU A 8 -7.309 -2.925 7.464 1.00 9.84 H new ATOM 0 HA LEU A 8 -6.560 -3.135 10.111 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -7.653 -1.171 8.870 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.153 -2.077 8.854 1.00 16.63 H new ATOM 0 HG LEU A 8 -9.162 -2.020 11.316 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -7.727 -0.350 12.432 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -6.762 -1.652 11.696 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -6.871 -0.066 10.897 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -9.825 0.393 11.399 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.000 0.663 9.846 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -10.432 -0.391 9.922 1.00 18.59 H new ATOM 147 N THR A 9 -8.890 -5.224 9.222 1.00 18.33 N ATOM 148 CA THR A 9 -9.672 -6.351 9.530 1.00 19.24 C ATOM 149 C THR A 9 -8.862 -7.565 9.636 1.00 19.48 C ATOM 150 O THR A 9 -9.300 -8.642 10.073 1.00 23.14 O ATOM 151 CB THR A 9 -10.771 -6.564 8.554 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.301 -6.916 7.210 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.645 -5.304 8.462 1.00 19.70 C ATOM 0 H THR A 9 -8.767 -5.125 8.214 1.00 18.33 H new ATOM 0 HA THR A 9 -10.119 -6.144 10.502 1.00 19.24 H new ATOM 0 HB THR A 9 -11.346 -7.411 8.928 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.071 -7.044 6.617 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.448 -5.470 7.744 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.073 -5.086 9.441 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.035 -4.461 8.136 1.00 19.70 H new ATOM 161 N GLY A 10 -7.538 -7.477 9.313 1.00 19.43 N ATOM 162 CA GLY A 10 -6.544 -8.448 9.603 1.00 18.74 C ATOM 163 C GLY A 10 -6.328 -9.415 8.536 1.00 17.62 C ATOM 164 O GLY A 10 -5.807 -10.432 8.843 1.00 19.74 O ATOM 0 H GLY A 10 -7.159 -6.669 8.819 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.604 -7.938 9.813 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.826 -8.982 10.511 1.00 18.74 H new ATOM 168 N LYS A 11 -6.600 -9.122 7.230 1.00 13.56 N ATOM 169 CA LYS A 11 -6.206 -10.038 6.138 1.00 11.91 C ATOM 170 C LYS A 11 -4.891 -9.516 5.606 1.00 10.18 C ATOM 171 O LYS A 11 -4.779 -8.373 5.215 1.00 9.10 O ATOM 172 CB LYS A 11 -7.259 -10.164 5.110 1.00 13.43 C ATOM 173 CG LYS A 11 -7.070 -11.193 4.063 1.00 16.69 C ATOM 174 CD LYS A 11 -8.111 -11.104 2.919 1.00 17.92 C ATOM 175 CE LYS A 11 -7.825 -12.134 1.792 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.788 -11.859 0.593 1.00 21.93 N ATOM 0 H LYS A 11 -7.080 -8.276 6.922 1.00 13.56 H new ATOM 0 HA LYS A 11 -6.079 -11.059 6.497 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -8.202 -10.369 5.617 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.366 -9.198 4.617 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -6.069 -11.093 3.642 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -7.127 -12.181 4.520 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -9.109 -11.276 3.322 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.105 -10.098 2.501 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.788 -12.057 1.467 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.968 -13.148 2.164 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.346 -12.187 -0.290 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.682 -12.368 0.742 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.978 -10.839 0.527 1.00 21.93 H new ATOM 190 N THR A 12 -3.805 -10.323 5.574 1.00 9.63 N ATOM 191 CA THR A 12 -2.501 -9.995 4.995 1.00 9.85 C ATOM 192 C THR A 12 -2.477 -10.625 3.623 1.00 11.66 C ATOM 193 O THR A 12 -2.883 -11.798 3.495 1.00 12.33 O ATOM 194 CB THR A 12 -1.193 -10.467 5.805 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.220 -9.842 7.112 1.00 10.91 O ATOM 196 CG2 THR A 12 0.087 -10.000 5.089 1.00 9.63 C ATOM 0 H THR A 12 -3.825 -11.262 5.972 1.00 9.63 H new ATOM 0 HA THR A 12 -2.429 -8.907 5.006 1.00 9.85 H new ATOM 0 HB THR A 12 -1.193 -11.555 5.875 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.431 -10.119 7.623 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.960 -10.329 5.653 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.120 -10.427 4.087 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.089 -8.912 5.020 1.00 9.63 H new ATOM 204 N ILE A 13 -2.003 -9.904 2.565 1.00 10.42 N ATOM 205 CA ILE A 13 -1.900 -10.293 1.195 1.00 11.84 C ATOM 206 C ILE A 13 -0.467 -10.007 0.860 1.00 10.55 C ATOM 207 O ILE A 13 0.202 -9.128 1.342 1.00 11.92 O ATOM 208 CB ILE A 13 -2.747 -9.567 0.181 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.500 -8.012 0.184 1.00 14.87 C ATOM 210 CG2 ILE A 13 -4.222 -9.905 0.355 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.025 -7.266 -1.079 1.00 16.46 C ATOM 0 H ILE A 13 -1.661 -8.953 2.702 1.00 10.42 H new ATOM 0 HA ILE A 13 -2.251 -11.323 1.126 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.436 -9.921 -0.802 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.976 -7.584 1.066 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.430 -7.828 0.279 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.809 -9.367 -0.390 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -4.367 -10.978 0.226 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.547 -9.612 1.353 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -2.811 -6.201 -0.988 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.531 -7.661 -1.967 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.101 -7.413 -1.167 1.00 16.46 H new ATOM 223 N THR A 14 0.095 -10.768 -0.173 1.00 9.39 N ATOM 224 CA THR A 14 1.477 -10.603 -0.583 1.00 9.63 C ATOM 225 C THR A 14 1.570 -9.835 -1.874 1.00 11.20 C ATOM 226 O THR A 14 0.798 -10.100 -2.765 1.00 11.63 O ATOM 227 CB THR A 14 2.099 -11.936 -0.709 1.00 10.38 C ATOM 228 OG1 THR A 14 2.029 -12.498 0.572 1.00 16.30 O ATOM 229 CG2 THR A 14 3.604 -11.808 -0.901 1.00 11.66 C ATOM 0 H THR A 14 -0.417 -11.477 -0.699 1.00 9.39 H new ATOM 0 HA THR A 14 2.012 -10.025 0.171 1.00 9.63 H new ATOM 0 HB THR A 14 1.618 -12.481 -1.522 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.427 -13.393 0.559 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.045 -12.801 -0.992 1.00 11.66 H new ATOM 0 HG22 THR A 14 3.808 -11.236 -1.806 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.038 -11.295 -0.042 1.00 11.66 H new ATOM 237 N LEU A 15 2.593 -8.944 -1.960 1.00 8.29 N ATOM 238 CA LEU A 15 2.807 -8.197 -3.179 1.00 9.03 C ATOM 239 C LEU A 15 4.211 -8.245 -3.591 1.00 8.59 C ATOM 240 O LEU A 15 5.121 -8.496 -2.759 1.00 7.79 O ATOM 241 CB LEU A 15 2.486 -6.656 -3.157 1.00 11.08 C ATOM 242 CG LEU A 15 1.117 -6.338 -2.705 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.066 -4.807 -2.417 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.059 -6.814 -3.751 1.00 15.27 C ATOM 0 H LEU A 15 3.254 -8.745 -1.209 1.00 8.29 H new ATOM 0 HA LEU A 15 2.103 -8.695 -3.846 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.200 -6.155 -2.503 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.631 -6.250 -4.158 1.00 11.08 H new ATOM 0 HG LEU A 15 0.865 -6.873 -1.789 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.066 -4.533 -2.080 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.791 -4.558 -1.642 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.305 -4.257 -3.327 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.941 -6.568 -3.395 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.238 -6.314 -4.703 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.141 -7.892 -3.886 1.00 15.27 H new ATOM 256 N GLU A 16 4.461 -8.169 -4.916 1.00 11.04 N ATOM 257 CA GLU A 16 5.803 -8.152 -5.506 1.00 11.50 C ATOM 258 C GLU A 16 5.995 -6.711 -6.054 1.00 10.13 C ATOM 259 O GLU A 16 5.132 -6.144 -6.804 1.00 9.83 O ATOM 260 CB GLU A 16 5.827 -9.128 -6.672 1.00 17.22 C ATOM 261 CG GLU A 16 7.019 -9.015 -7.633 1.00 23.33 C ATOM 262 CD GLU A 16 8.339 -9.376 -6.920 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.451 -10.534 -6.444 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.242 -8.509 -6.940 1.00 28.90 O ATOM 0 H GLU A 16 3.717 -8.117 -5.612 1.00 11.04 H new ATOM 0 HA GLU A 16 6.578 -8.426 -4.790 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.807 -10.141 -6.270 1.00 17.22 H new ATOM 0 HB3 GLU A 16 4.911 -8.995 -7.247 1.00 17.22 H new ATOM 0 HG2 GLU A 16 6.868 -9.678 -8.485 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.079 -8.000 -8.026 1.00 23.33 H new ATOM 271 N VAL A 17 7.130 -6.046 -5.664 1.00 8.99 N ATOM 272 CA VAL A 17 7.481 -4.683 -6.040 1.00 8.85 C ATOM 273 C VAL A 17 8.974 -4.542 -6.398 1.00 8.04 C ATOM 274 O VAL A 17 9.822 -5.357 -6.080 1.00 8.99 O ATOM 275 CB VAL A 17 7.040 -3.741 -4.924 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.474 -3.556 -4.827 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.575 -4.203 -3.581 1.00 10.54 C ATOM 0 H VAL A 17 7.830 -6.479 -5.062 1.00 8.99 H new ATOM 0 HA VAL A 17 6.952 -4.410 -6.953 1.00 8.85 H new ATOM 0 HB VAL A 17 7.462 -2.770 -5.183 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.238 -2.873 -4.011 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.097 -3.146 -5.764 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.004 -4.522 -4.639 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.247 -3.515 -2.802 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.199 -5.203 -3.364 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.664 -4.224 -3.611 1.00 10.54 H new ATOM 287 N GLU A 18 9.311 -3.385 -6.973 1.00 7.29 N ATOM 288 CA GLU A 18 10.660 -2.918 -7.043 1.00 7.08 C ATOM 289 C GLU A 18 10.751 -1.691 -6.163 1.00 6.45 C ATOM 290 O GLU A 18 9.795 -0.929 -6.141 1.00 5.28 O ATOM 291 CB GLU A 18 11.071 -2.444 -8.534 1.00 10.28 C ATOM 292 CG GLU A 18 11.262 -3.647 -9.541 1.00 12.65 C ATOM 293 CD GLU A 18 12.378 -4.618 -9.211 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.055 -5.640 -8.488 1.00 18.17 O ATOM 295 OE2 GLU A 18 13.511 -4.512 -9.716 1.00 14.33 O ATOM 0 H GLU A 18 8.634 -2.754 -7.402 1.00 7.29 H new ATOM 0 HA GLU A 18 11.319 -3.731 -6.739 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.302 -1.775 -8.920 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.997 -1.871 -8.483 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.326 -4.204 -9.593 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.445 -3.238 -10.535 1.00 12.65 H new ATOM 302 N PRO A 19 11.768 -1.443 -5.415 1.00 7.24 N ATOM 303 CA PRO A 19 11.971 -0.190 -4.671 1.00 7.07 C ATOM 304 C PRO A 19 11.771 1.123 -5.447 1.00 6.65 C ATOM 305 O PRO A 19 11.358 2.110 -4.807 1.00 6.37 O ATOM 306 CB PRO A 19 13.469 -0.265 -4.234 1.00 7.61 C ATOM 307 CG PRO A 19 13.862 -1.724 -4.347 1.00 8.16 C ATOM 308 CD PRO A 19 12.980 -2.339 -5.408 1.00 7.49 C ATOM 0 HA PRO A 19 11.223 -0.140 -3.880 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.094 0.359 -4.873 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.597 0.096 -3.213 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.914 -1.820 -4.617 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.730 -2.234 -3.393 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.473 -2.356 -6.380 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.717 -3.369 -5.165 1.00 7.49 H new ATOM 316 N SER A 20 11.954 1.125 -6.763 1.00 6.80 N ATOM 317 CA SER A 20 11.596 2.245 -7.580 1.00 6.28 C ATOM 318 C SER A 20 10.084 2.547 -7.694 1.00 8.45 C ATOM 319 O SER A 20 9.723 3.666 -8.142 1.00 7.26 O ATOM 320 CB SER A 20 11.858 1.872 -9.049 1.00 8.57 C ATOM 321 OG SER A 20 13.270 1.960 -9.382 1.00 11.13 O ATOM 0 H SER A 20 12.356 0.343 -7.280 1.00 6.80 H new ATOM 0 HA SER A 20 12.149 3.067 -7.126 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.502 0.859 -9.236 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.288 2.535 -9.700 1.00 8.57 H new ATOM 0 HG SER A 20 13.400 1.715 -10.322 1.00 11.13 H new ATOM 327 N ASP A 21 9.148 1.605 -7.521 1.00 7.50 N ATOM 328 CA ASP A 21 7.720 1.778 -7.749 1.00 7.70 C ATOM 329 C ASP A 21 7.105 2.732 -6.762 1.00 7.08 C ATOM 330 O ASP A 21 7.513 2.834 -5.597 1.00 8.11 O ATOM 331 CB ASP A 21 7.050 0.435 -7.639 1.00 11.00 C ATOM 332 CG ASP A 21 7.228 -0.521 -8.803 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.191 -0.056 -9.973 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.343 -1.728 -8.515 1.00 18.03 O ATOM 0 H ASP A 21 9.382 0.664 -7.205 1.00 7.50 H new ATOM 0 HA ASP A 21 7.578 2.201 -8.743 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.420 -0.055 -6.738 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.982 0.600 -7.496 1.00 11.00 H new ATOM 339 N THR A 22 6.130 3.527 -7.260 1.00 5.37 N ATOM 340 CA THR A 22 5.364 4.477 -6.520 1.00 6.01 C ATOM 341 C THR A 22 4.329 3.769 -5.668 1.00 8.01 C ATOM 342 O THR A 22 3.869 2.660 -5.937 1.00 8.11 O ATOM 343 CB THR A 22 4.673 5.645 -7.215 1.00 8.92 C ATOM 344 OG1 THR A 22 3.662 5.276 -8.179 1.00 10.22 O ATOM 345 CG2 THR A 22 5.676 6.489 -8.004 1.00 9.65 C ATOM 0 H THR A 22 5.866 3.498 -8.245 1.00 5.37 H new ATOM 0 HA THR A 22 6.166 4.968 -5.968 1.00 6.01 H new ATOM 0 HB THR A 22 4.207 6.180 -6.387 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.952 4.477 -8.668 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.155 7.314 -8.489 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.431 6.885 -7.325 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.157 5.869 -8.761 1.00 9.65 H new ATOM 353 N ILE A 23 3.750 4.527 -4.691 1.00 8.32 N ATOM 354 CA ILE A 23 2.623 4.181 -3.763 1.00 9.92 C ATOM 355 C ILE A 23 1.413 3.950 -4.596 1.00 10.01 C ATOM 356 O ILE A 23 0.604 3.116 -4.241 1.00 8.71 O ATOM 357 CB ILE A 23 2.434 5.188 -2.583 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.469 5.041 -1.404 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.005 5.246 -2.002 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.990 4.803 -1.591 1.00 12.30 C ATOM 0 H ILE A 23 4.085 5.474 -4.515 1.00 8.32 H new ATOM 0 HA ILE A 23 2.857 3.264 -3.223 1.00 9.92 H new ATOM 0 HB ILE A 23 2.634 6.136 -3.083 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.377 5.949 -0.808 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.109 4.217 -0.788 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.972 5.971 -1.189 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.306 5.545 -2.784 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.726 4.263 -1.622 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.471 4.740 -0.615 1.00 12.30 H new ATOM 0 HD12 ILE A 23 5.148 3.872 -2.135 1.00 12.30 H new ATOM 0 HD13 ILE A 23 5.421 5.630 -2.155 1.00 12.30 H new ATOM 372 N GLU A 24 1.254 4.605 -5.763 1.00 9.54 N ATOM 373 CA GLU A 24 0.104 4.418 -6.674 1.00 11.81 C ATOM 374 C GLU A 24 0.185 3.095 -7.407 1.00 11.14 C ATOM 375 O GLU A 24 -0.821 2.422 -7.578 1.00 10.62 O ATOM 376 CB GLU A 24 0.033 5.605 -7.682 1.00 19.24 C ATOM 377 CG GLU A 24 -1.373 5.735 -8.312 1.00 27.76 C ATOM 378 CD GLU A 24 -1.361 6.596 -9.574 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.637 6.292 -10.511 1.00 34.80 O ATOM 380 OE2 GLU A 24 -2.116 7.617 -9.627 1.00 36.51 O ATOM 0 H GLU A 24 1.929 5.289 -6.105 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.808 4.401 -6.077 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.290 6.533 -7.171 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.773 5.459 -8.469 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.754 4.743 -8.554 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.057 6.170 -7.584 1.00 27.76 H new ATOM 387 N ASN A 25 1.455 2.657 -7.773 1.00 9.43 N ATOM 388 CA ASN A 25 1.710 1.280 -8.224 1.00 10.96 C ATOM 389 C ASN A 25 1.374 0.244 -7.193 1.00 9.68 C ATOM 390 O ASN A 25 0.784 -0.793 -7.529 1.00 9.33 O ATOM 391 CB ASN A 25 3.206 1.108 -8.653 1.00 16.78 C ATOM 392 CG ASN A 25 3.699 2.015 -9.734 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.735 2.723 -9.639 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.096 1.940 -10.901 1.00 24.70 N ATOM 0 H ASN A 25 2.285 3.250 -7.755 1.00 9.43 H new ATOM 0 HA ASN A 25 1.049 1.120 -9.076 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.832 1.255 -7.773 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.351 0.078 -8.979 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.470 2.449 -11.702 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.255 1.373 -11.005 1.00 24.70 H new ATOM 401 N VAL A 26 1.739 0.415 -5.930 1.00 6.52 N ATOM 402 CA VAL A 26 1.266 -0.520 -4.862 1.00 5.53 C ATOM 403 C VAL A 26 -0.237 -0.622 -4.813 1.00 4.42 C ATOM 404 O VAL A 26 -0.756 -1.753 -4.771 1.00 3.40 O ATOM 405 CB VAL A 26 1.920 -0.087 -3.539 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.589 -1.077 -2.391 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.530 -0.064 -3.720 1.00 8.12 C ATOM 0 H VAL A 26 2.346 1.167 -5.603 1.00 6.52 H new ATOM 0 HA VAL A 26 1.578 -1.542 -5.080 1.00 5.53 H new ATOM 0 HB VAL A 26 1.533 0.900 -3.286 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.067 -0.740 -1.471 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.510 -1.117 -2.245 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.957 -2.070 -2.649 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.997 0.243 -2.784 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.880 -1.060 -3.991 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.798 0.641 -4.507 1.00 8.12 H new ATOM 417 N LYS A 27 -1.025 0.471 -4.862 1.00 2.64 N ATOM 418 CA LYS A 27 -2.514 0.285 -4.843 1.00 4.14 C ATOM 419 C LYS A 27 -3.137 -0.440 -6.061 1.00 5.58 C ATOM 420 O LYS A 27 -4.089 -1.171 -5.950 1.00 4.11 O ATOM 421 CB LYS A 27 -3.175 1.628 -4.675 1.00 3.97 C ATOM 422 CG LYS A 27 -2.757 2.302 -3.354 1.00 7.45 C ATOM 423 CD LYS A 27 -3.347 3.699 -2.941 1.00 9.02 C ATOM 424 CE LYS A 27 -3.109 4.866 -3.936 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.748 6.109 -3.459 1.00 15.47 N ATOM 0 H LYS A 27 -0.698 1.436 -4.912 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.699 -0.384 -4.002 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.910 2.272 -5.513 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.258 1.507 -4.696 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.993 1.605 -2.550 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.672 2.407 -3.377 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.421 3.587 -2.795 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -2.922 3.979 -1.977 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.039 5.029 -4.062 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.508 4.601 -4.915 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.617 6.860 -4.166 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.764 5.943 -3.314 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.313 6.400 -2.560 1.00 15.47 H new ATOM 439 N ALA A 28 -2.566 -0.227 -7.271 1.00 6.61 N ATOM 440 CA ALA A 28 -2.827 -0.977 -8.423 1.00 7.74 C ATOM 441 C ALA A 28 -2.505 -2.462 -8.381 1.00 9.17 C ATOM 442 O ALA A 28 -3.275 -3.273 -8.853 1.00 11.45 O ATOM 443 CB ALA A 28 -2.130 -0.398 -9.731 1.00 7.68 C ATOM 0 H ALA A 28 -1.887 0.517 -7.429 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.912 -0.877 -8.461 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.376 -1.030 -10.584 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.486 0.616 -9.915 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.049 -0.383 -9.591 1.00 7.68 H new ATOM 449 N LYS A 29 -1.306 -2.828 -7.767 1.00 8.96 N ATOM 450 CA LYS A 29 -0.953 -4.174 -7.465 1.00 7.90 C ATOM 451 C LYS A 29 -1.863 -4.826 -6.380 1.00 6.92 C ATOM 452 O LYS A 29 -2.255 -5.989 -6.451 1.00 6.87 O ATOM 453 CB LYS A 29 0.519 -4.269 -7.044 1.00 10.28 C ATOM 454 CG LYS A 29 1.521 -3.854 -8.153 1.00 14.94 C ATOM 455 CD LYS A 29 2.994 -3.589 -7.746 1.00 19.69 C ATOM 456 CE LYS A 29 4.005 -3.704 -8.946 1.00 22.63 C ATOM 457 NZ LYS A 29 4.213 -5.133 -9.195 1.00 24.98 N ATOM 0 H LYS A 29 -0.595 -2.150 -7.491 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.108 -4.738 -8.385 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.678 -3.637 -6.170 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.734 -5.293 -6.740 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.521 -4.636 -8.912 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.138 -2.950 -8.627 1.00 14.94 H new ATOM 0 HD2 LYS A 29 3.069 -2.592 -7.312 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.282 -4.298 -6.969 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.608 -3.212 -9.834 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.948 -3.213 -8.704 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 5.031 -5.260 -9.824 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.390 -5.620 -8.293 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.365 -5.534 -9.645 1.00 24.98 H new ATOM 471 N ILE A 30 -2.293 -4.047 -5.422 1.00 4.57 N ATOM 472 CA ILE A 30 -3.463 -4.457 -4.602 1.00 5.58 C ATOM 473 C ILE A 30 -4.775 -4.641 -5.312 1.00 7.26 C ATOM 474 O ILE A 30 -5.563 -5.579 -5.113 1.00 9.46 O ATOM 475 CB ILE A 30 -3.634 -3.594 -3.316 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.349 -3.539 -2.495 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.945 -4.029 -2.532 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.145 -2.237 -1.743 1.00 2.00 C ATOM 0 H ILE A 30 -1.883 -3.146 -5.175 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.183 -5.471 -4.317 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.801 -2.552 -3.588 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.353 -4.362 -1.780 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.500 -3.698 -3.159 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.052 -3.418 -1.636 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.815 -3.889 -3.173 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.868 -5.079 -2.249 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.209 -2.281 -1.186 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.106 -1.410 -2.452 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.973 -2.083 -1.051 1.00 2.00 H new ATOM 490 N GLN A 31 -5.115 -3.743 -6.246 1.00 7.06 N ATOM 491 CA GLN A 31 -6.234 -3.907 -7.154 1.00 8.67 C ATOM 492 C GLN A 31 -6.109 -5.198 -7.987 1.00 10.90 C ATOM 493 O GLN A 31 -7.095 -5.860 -8.245 1.00 9.63 O ATOM 494 CB GLN A 31 -6.291 -2.675 -8.099 1.00 9.12 C ATOM 495 CG GLN A 31 -7.604 -2.566 -8.825 1.00 10.76 C ATOM 496 CD GLN A 31 -7.625 -1.313 -9.719 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.600 -0.662 -9.882 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.799 -0.929 -10.237 1.00 14.76 N ATOM 0 H GLN A 31 -4.605 -2.871 -6.386 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.150 -3.984 -6.568 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.124 -1.768 -7.518 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.482 -2.741 -8.826 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.765 -3.456 -9.433 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.421 -2.520 -8.105 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.634 -1.494 -10.082 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.858 -0.071 -10.786 1.00 14.76 H new ATOM 507 N ASP A 32 -4.911 -5.507 -8.478 1.00 10.93 N ATOM 508 CA ASP A 32 -4.608 -6.773 -9.134 1.00 14.01 C ATOM 509 C ASP A 32 -4.807 -7.987 -8.289 1.00 14.04 C ATOM 510 O ASP A 32 -5.204 -9.009 -8.832 1.00 13.39 O ATOM 511 CB ASP A 32 -3.127 -6.671 -9.585 1.00 18.01 C ATOM 512 CG ASP A 32 -2.893 -7.656 -10.741 1.00 24.33 C ATOM 513 OD1 ASP A 32 -3.523 -7.556 -11.847 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.182 -8.620 -10.565 1.00 26.29 O ATOM 0 H ASP A 32 -4.113 -4.874 -8.430 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.306 -6.910 -9.960 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -2.899 -5.654 -9.904 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.462 -6.901 -8.752 1.00 18.01 H new ATOM 519 N LYS A 33 -4.571 -7.852 -6.996 1.00 14.22 N ATOM 520 CA LYS A 33 -4.591 -8.963 -6.098 1.00 14.00 C ATOM 521 C LYS A 33 -5.984 -9.216 -5.573 1.00 12.37 C ATOM 522 O LYS A 33 -6.522 -10.279 -5.741 1.00 12.17 O ATOM 523 CB LYS A 33 -3.503 -8.699 -5.028 1.00 18.62 C ATOM 524 CG LYS A 33 -3.328 -9.805 -3.950 1.00 24.00 C ATOM 525 CD LYS A 33 -2.903 -11.174 -4.453 1.00 27.61 C ATOM 526 CE LYS A 33 -1.498 -11.241 -5.073 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.411 -12.597 -5.616 1.00 30.06 N ATOM 0 H LYS A 33 -4.360 -6.959 -6.550 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.343 -9.903 -6.592 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -2.548 -8.559 -5.535 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -3.737 -7.761 -4.524 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.590 -9.462 -3.225 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -4.272 -9.915 -3.416 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.949 -11.878 -3.622 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.626 -11.510 -5.196 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.370 -10.490 -5.853 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.724 -11.060 -4.327 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.481 -12.734 -6.061 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.532 -13.287 -4.847 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -2.158 -12.735 -6.326 1.00 30.06 H new ATOM 541 N GLU A 34 -6.627 -8.204 -4.922 1.00 10.11 N ATOM 542 CA GLU A 34 -7.826 -8.280 -4.215 1.00 10.07 C ATOM 543 C GLU A 34 -9.051 -7.511 -4.921 1.00 9.32 C ATOM 544 O GLU A 34 -10.189 -7.607 -4.406 1.00 11.61 O ATOM 545 CB GLU A 34 -7.693 -7.680 -2.825 1.00 14.77 C ATOM 546 CG GLU A 34 -6.836 -8.557 -1.924 1.00 18.75 C ATOM 547 CD GLU A 34 -7.765 -9.619 -1.294 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.442 -9.407 -0.306 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.776 -10.721 -1.831 1.00 25.19 O ATOM 0 H GLU A 34 -6.243 -7.259 -4.911 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.041 -9.348 -4.179 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.251 -6.686 -2.896 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.682 -7.558 -2.383 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.041 -9.034 -2.497 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.356 -7.959 -1.149 1.00 18.75 H new ATOM 556 N GLY A 35 -8.828 -6.828 -6.062 1.00 7.22 N ATOM 557 CA GLY A 35 -9.984 -6.129 -6.641 1.00 6.29 C ATOM 558 C GLY A 35 -10.330 -4.818 -6.073 1.00 6.93 C ATOM 559 O GLY A 35 -11.306 -4.224 -6.509 1.00 7.41 O ATOM 0 H GLY A 35 -7.942 -6.748 -6.561 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.800 -5.997 -7.707 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -10.854 -6.779 -6.546 1.00 6.29 H new ATOM 563 N ILE A 36 -9.548 -4.323 -5.084 1.00 5.86 N ATOM 564 CA ILE A 36 -9.967 -3.120 -4.416 1.00 6.07 C ATOM 565 C ILE A 36 -9.615 -1.869 -5.208 1.00 6.36 C ATOM 566 O ILE A 36 -8.466 -1.659 -5.580 1.00 6.18 O ATOM 567 CB ILE A 36 -9.255 -3.004 -3.032 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.346 -4.248 -2.204 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.858 -1.785 -2.296 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.314 -4.410 -1.039 1.00 9.49 C ATOM 0 H ILE A 36 -8.671 -4.731 -4.760 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.050 -3.186 -4.308 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.187 -2.866 -3.200 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.348 -4.297 -1.777 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.241 -5.105 -2.869 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.381 -1.675 -1.322 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.690 -0.884 -2.886 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.929 -1.935 -2.160 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.493 -5.353 -0.523 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.303 -4.405 -1.446 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.426 -3.585 -0.336 1.00 9.49 H new ATOM 582 N PRO A 37 -10.584 -0.975 -5.568 1.00 8.65 N ATOM 583 CA PRO A 37 -10.317 0.151 -6.357 1.00 9.18 C ATOM 584 C PRO A 37 -9.292 1.098 -5.638 1.00 9.85 C ATOM 585 O PRO A 37 -9.548 1.285 -4.452 1.00 8.51 O ATOM 586 CB PRO A 37 -11.661 0.778 -6.576 1.00 11.42 C ATOM 587 CG PRO A 37 -12.638 -0.334 -6.519 1.00 9.27 C ATOM 588 CD PRO A 37 -12.018 -1.185 -5.452 1.00 8.33 C ATOM 0 HA PRO A 37 -9.844 -0.086 -7.310 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.873 1.525 -5.811 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.703 1.287 -7.539 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.638 0.006 -6.250 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.725 -0.859 -7.470 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.377 -0.898 -4.464 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.273 -2.236 -5.591 1.00 8.33 H new ATOM 596 N PRO A 38 -8.237 1.620 -6.107 1.00 8.71 N ATOM 597 CA PRO A 38 -7.273 2.531 -5.397 1.00 9.08 C ATOM 598 C PRO A 38 -7.907 3.666 -4.558 1.00 9.28 C ATOM 599 O PRO A 38 -7.442 4.108 -3.497 1.00 6.50 O ATOM 600 CB PRO A 38 -6.338 2.970 -6.450 1.00 10.31 C ATOM 601 CG PRO A 38 -6.291 1.803 -7.504 1.00 10.81 C ATOM 602 CD PRO A 38 -7.737 1.291 -7.463 1.00 12.00 C ATOM 0 HA PRO A 38 -6.755 2.002 -4.597 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.677 3.898 -6.910 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.348 3.162 -6.037 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.010 2.158 -8.496 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.575 1.030 -7.227 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.344 1.769 -8.232 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.778 0.217 -7.646 1.00 12.00 H new ATOM 610 N ASP A 39 -9.044 4.150 -5.034 1.00 11.20 N ATOM 611 CA ASP A 39 -9.717 5.210 -4.310 1.00 14.96 C ATOM 612 C ASP A 39 -10.427 4.780 -3.043 1.00 13.99 C ATOM 613 O ASP A 39 -10.751 5.616 -2.177 1.00 13.75 O ATOM 614 CB ASP A 39 -10.769 5.870 -5.247 1.00 24.16 C ATOM 615 CG ASP A 39 -10.060 6.948 -6.087 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.627 7.994 -5.565 1.00 34.22 O ATOM 617 OD2 ASP A 39 -9.933 6.676 -7.301 1.00 35.55 O ATOM 0 H ASP A 39 -9.505 3.838 -5.888 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.927 5.896 -4.002 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.223 5.121 -5.896 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.574 6.314 -4.661 1.00 24.16 H new ATOM 622 N GLN A 40 -10.564 3.489 -2.823 1.00 11.60 N ATOM 623 CA GLN A 40 -11.097 2.875 -1.647 1.00 10.76 C ATOM 624 C GLN A 40 -10.000 2.467 -0.672 1.00 8.01 C ATOM 625 O GLN A 40 -10.275 1.844 0.321 1.00 8.96 O ATOM 626 CB GLN A 40 -12.097 1.693 -2.065 1.00 11.14 C ATOM 627 CG GLN A 40 -13.355 2.367 -2.797 1.00 14.85 C ATOM 628 CD GLN A 40 -14.501 1.411 -3.021 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.265 0.239 -3.025 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.735 1.956 -3.272 1.00 18.16 N ATOM 0 H GLN A 40 -10.282 2.799 -3.520 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.689 3.600 -1.088 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.600 0.986 -2.729 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.418 1.133 -1.187 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.705 3.209 -2.200 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.034 2.769 -3.758 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.859 2.968 -3.251 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -16.528 1.349 -3.480 1.00 18.16 H new ATOM 639 N GLN A 41 -8.706 2.882 -0.925 1.00 6.52 N ATOM 640 CA GLN A 41 -7.541 2.283 -0.273 1.00 3.87 C ATOM 641 C GLN A 41 -6.807 3.392 0.528 1.00 4.79 C ATOM 642 O GLN A 41 -6.420 4.436 -0.063 1.00 6.34 O ATOM 643 CB GLN A 41 -6.480 1.666 -1.326 1.00 4.20 C ATOM 644 CG GLN A 41 -6.992 0.388 -1.973 1.00 3.20 C ATOM 645 CD GLN A 41 -5.886 -0.257 -2.795 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.684 -0.174 -2.450 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.210 -0.931 -3.913 1.00 7.13 N ATOM 0 H GLN A 41 -8.474 3.629 -1.579 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.904 1.474 0.360 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.268 2.404 -2.100 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.540 1.461 -0.814 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.338 -0.305 -1.206 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.848 0.611 -2.610 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.186 -1.003 -4.200 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.480 -1.370 -4.473 1.00 7.13 H new ATOM 656 N ARG A 42 -6.546 3.227 1.866 1.00 5.73 N ATOM 657 CA ARG A 42 -5.531 3.935 2.613 1.00 6.97 C ATOM 658 C ARG A 42 -4.328 3.139 2.917 1.00 7.15 C ATOM 659 O ARG A 42 -4.474 1.975 3.365 1.00 7.33 O ATOM 660 CB ARG A 42 -6.077 4.349 3.956 1.00 13.23 C ATOM 661 CG ARG A 42 -7.178 5.437 3.770 1.00 21.27 C ATOM 662 CD ARG A 42 -7.577 5.922 5.108 1.00 26.14 C ATOM 663 NE ARG A 42 -8.535 7.053 4.834 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.561 7.368 5.651 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.686 6.811 6.865 1.00 35.30 N ATOM 666 NH2 ARG A 42 -10.344 8.379 5.272 1.00 36.39 N ATOM 0 H ARG A 42 -7.071 2.569 2.443 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.256 4.771 1.970 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.493 3.483 4.472 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.273 4.737 4.581 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.800 6.261 3.164 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -8.038 5.022 3.244 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.052 5.132 5.690 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.714 6.264 5.679 1.00 26.14 H new ATOM 0 HE ARG A 42 -8.401 7.608 3.989 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.996 6.133 7.188 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.471 7.066 7.465 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -10.153 8.873 4.400 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -11.134 8.658 5.854 1.00 36.39 H new ATOM 680 N LEU A 43 -3.089 3.602 2.595 1.00 4.65 N ATOM 681 CA LEU A 43 -1.865 2.796 2.743 1.00 3.51 C ATOM 682 C LEU A 43 -1.121 3.499 3.896 1.00 5.56 C ATOM 683 O LEU A 43 -0.818 4.678 3.721 1.00 4.19 O ATOM 684 CB LEU A 43 -1.046 2.783 1.434 1.00 3.74 C ATOM 685 CG LEU A 43 -1.310 1.576 0.446 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.467 1.684 -0.832 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.175 0.203 1.097 1.00 6.41 C ATOM 0 H LEU A 43 -2.921 4.539 2.229 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.057 1.744 2.955 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -1.245 3.711 0.899 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.012 2.785 1.694 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.359 1.663 0.161 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.680 0.835 -1.481 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.713 2.610 -1.353 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.591 1.684 -0.571 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.371 -0.572 0.356 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.165 0.084 1.489 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -1.893 0.115 1.912 1.00 6.41 H new ATOM 699 N ILE A 44 -0.787 2.775 4.983 1.00 4.58 N ATOM 700 CA ILE A 44 -0.213 3.130 6.226 1.00 5.55 C ATOM 701 C ILE A 44 1.120 2.435 6.490 1.00 5.46 C ATOM 702 O ILE A 44 1.226 1.192 6.432 1.00 6.04 O ATOM 703 CB ILE A 44 -1.132 2.830 7.366 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.531 3.556 7.178 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.530 3.250 8.764 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.489 5.043 7.412 1.00 13.90 C ATOM 0 H ILE A 44 -0.957 1.769 4.966 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.039 4.204 6.159 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.266 1.748 7.361 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.893 3.368 6.167 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.254 3.112 7.863 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.241 3.008 9.554 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.401 2.710 8.936 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.334 4.322 8.768 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.484 5.463 7.264 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.160 5.242 8.432 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -1.793 5.502 6.710 1.00 13.90 H new ATOM 718 N PHE A 45 2.227 3.178 6.742 1.00 6.75 N ATOM 719 CA PHE A 45 3.492 2.525 7.151 1.00 4.70 C ATOM 720 C PHE A 45 4.252 3.590 7.861 1.00 6.34 C ATOM 721 O PHE A 45 4.264 4.687 7.400 1.00 5.45 O ATOM 722 CB PHE A 45 4.288 2.042 5.983 1.00 5.51 C ATOM 723 CG PHE A 45 5.557 1.308 6.421 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.496 0.059 7.169 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.816 1.812 6.063 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.630 -0.610 7.516 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.991 1.225 6.564 1.00 6.64 C ATOM 728 CZ PHE A 45 7.878 0.004 7.275 1.00 6.84 C ATOM 0 H PHE A 45 2.270 4.195 6.672 1.00 6.75 H new ATOM 0 HA PHE A 45 3.292 1.646 7.764 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.675 1.376 5.376 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.558 2.889 5.353 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.535 -0.343 7.453 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.883 2.659 5.396 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.576 -1.590 7.966 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.953 1.691 6.411 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.775 -0.471 7.644 1.00 6.84 H new ATOM 738 N ALA A 46 4.967 3.278 8.989 1.00 6.53 N ATOM 739 CA ALA A 46 5.751 4.168 9.781 1.00 7.15 C ATOM 740 C ALA A 46 4.929 5.401 10.425 1.00 9.00 C ATOM 741 O ALA A 46 5.376 6.528 10.517 1.00 11.15 O ATOM 742 CB ALA A 46 7.071 4.613 9.125 1.00 8.99 C ATOM 0 H ALA A 46 4.984 2.327 9.357 1.00 6.53 H new ATOM 0 HA ALA A 46 6.043 3.546 10.627 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.602 5.287 9.797 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.690 3.739 8.924 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.856 5.128 8.189 1.00 8.99 H new ATOM 748 N GLY A 47 3.689 5.072 10.935 1.00 9.35 N ATOM 749 CA GLY A 47 2.815 5.960 11.693 1.00 11.68 C ATOM 750 C GLY A 47 2.101 6.952 10.828 1.00 11.14 C ATOM 751 O GLY A 47 1.417 7.805 11.367 1.00 13.93 O ATOM 0 H GLY A 47 3.285 4.144 10.809 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.081 5.364 12.235 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.405 6.494 12.438 1.00 11.68 H new ATOM 755 N LYS A 48 2.071 6.811 9.498 1.00 10.47 N ATOM 756 CA LYS A 48 1.597 7.834 8.606 1.00 8.82 C ATOM 757 C LYS A 48 1.099 7.193 7.336 1.00 7.68 C ATOM 758 O LYS A 48 1.383 6.050 7.081 1.00 6.47 O ATOM 759 CB LYS A 48 2.659 8.863 8.269 1.00 9.74 C ATOM 760 CG LYS A 48 3.983 8.372 7.620 1.00 14.14 C ATOM 761 CD LYS A 48 4.937 9.564 7.593 1.00 16.32 C ATOM 762 CE LYS A 48 5.762 9.842 8.946 1.00 20.04 C ATOM 763 NZ LYS A 48 6.496 8.564 9.255 1.00 23.92 N ATOM 0 H LYS A 48 2.383 5.965 9.021 1.00 10.47 H new ATOM 0 HA LYS A 48 0.792 8.362 9.117 1.00 8.82 H new ATOM 0 HB2 LYS A 48 2.211 9.595 7.597 1.00 9.74 H new ATOM 0 HB3 LYS A 48 2.915 9.389 9.188 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.411 7.549 8.192 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.803 7.999 6.612 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.649 9.415 6.782 1.00 16.32 H new ATOM 0 HD3 LYS A 48 4.362 10.458 7.352 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.459 10.670 8.815 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.093 10.115 9.762 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 7.389 8.785 9.739 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 5.908 7.966 9.870 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 6.698 8.057 8.370 1.00 23.92 H new ATOM 777 N GLN A 49 0.298 7.954 6.541 1.00 8.89 N ATOM 778 CA GLN A 49 -0.361 7.476 5.315 1.00 7.18 C ATOM 779 C GLN A 49 0.520 7.860 4.119 1.00 8.23 C ATOM 780 O GLN A 49 1.188 8.887 4.164 1.00 9.70 O ATOM 781 CB GLN A 49 -1.817 8.121 5.082 1.00 11.67 C ATOM 782 CG GLN A 49 -2.606 7.654 3.865 1.00 15.82 C ATOM 783 CD GLN A 49 -4.084 7.846 3.995 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.765 7.580 5.008 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.784 8.341 2.927 1.00 20.67 N ATOM 0 H GLN A 49 0.095 8.932 6.746 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.491 6.398 5.416 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.419 7.923 5.969 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.699 9.202 5.012 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.254 8.195 2.986 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.400 6.598 3.693 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.296 8.581 2.064 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.794 8.469 2.994 1.00 20.67 H new ATOM 794 N LEU A 50 0.655 6.939 3.163 1.00 6.51 N ATOM 795 CA LEU A 50 1.693 7.037 2.151 1.00 7.41 C ATOM 796 C LEU A 50 1.196 7.731 0.871 1.00 8.27 C ATOM 797 O LEU A 50 0.167 7.315 0.316 1.00 8.34 O ATOM 798 CB LEU A 50 2.304 5.684 1.855 1.00 7.13 C ATOM 799 CG LEU A 50 2.603 4.672 3.011 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.465 3.453 2.453 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.344 5.397 4.119 1.00 9.11 C ATOM 0 H LEU A 50 0.055 6.119 3.074 1.00 6.51 H new ATOM 0 HA LEU A 50 2.480 7.670 2.562 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.642 5.180 1.151 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.245 5.864 1.335 1.00 7.13 H new ATOM 0 HG LEU A 50 1.671 4.272 3.410 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.670 2.752 3.262 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.909 2.945 1.665 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.406 3.827 2.050 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.557 4.701 4.930 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.280 5.798 3.729 1.00 9.11 H new ATOM 0 HD23 LEU A 50 2.728 6.214 4.495 1.00 9.11 H new ATOM 813 N GLU A 51 1.845 8.825 0.497 1.00 9.43 N ATOM 814 CA GLU A 51 1.361 9.660 -0.594 1.00 11.90 C ATOM 815 C GLU A 51 1.727 9.122 -1.960 1.00 11.49 C ATOM 816 O GLU A 51 2.705 8.460 -2.098 1.00 9.88 O ATOM 817 CB GLU A 51 1.790 11.095 -0.378 1.00 16.56 C ATOM 818 CG GLU A 51 1.292 11.864 0.859 1.00 26.06 C ATOM 819 CD GLU A 51 1.445 13.332 0.644 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.585 13.903 0.868 1.00 32.13 O ATOM 821 OE2 GLU A 51 0.489 13.973 0.218 1.00 33.44 O ATOM 0 H GLU A 51 2.707 9.155 0.932 1.00 9.43 H new ATOM 0 HA GLU A 51 0.271 9.635 -0.580 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.880 11.108 -0.352 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.485 11.662 -1.258 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.246 11.623 1.050 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.856 11.557 1.740 1.00 26.06 H new ATOM 828 N ASP A 52 0.837 9.386 -2.920 1.00 12.71 N ATOM 829 CA ASP A 52 0.727 8.515 -4.092 1.00 16.56 C ATOM 830 C ASP A 52 1.949 8.478 -5.003 1.00 15.83 C ATOM 831 O ASP A 52 2.308 7.429 -5.502 1.00 17.21 O ATOM 832 CB ASP A 52 -0.439 9.000 -4.971 1.00 21.05 C ATOM 833 CG ASP A 52 -1.783 8.706 -4.345 1.00 25.12 C ATOM 834 OD1 ASP A 52 -1.978 9.182 -3.206 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.679 8.043 -4.992 1.00 28.37 O ATOM 0 H ASP A 52 0.195 10.178 -2.911 1.00 12.71 H new ATOM 0 HA ASP A 52 0.593 7.516 -3.677 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.344 10.073 -5.138 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.381 8.519 -5.947 1.00 21.05 H new ATOM 840 N GLY A 53 2.649 9.606 -5.212 1.00 15.00 N ATOM 841 CA GLY A 53 3.660 9.829 -6.196 1.00 11.77 C ATOM 842 C GLY A 53 5.048 9.583 -5.608 1.00 11.10 C ATOM 843 O GLY A 53 6.028 9.680 -6.298 1.00 11.25 O ATOM 0 H GLY A 53 2.491 10.435 -4.639 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.498 9.168 -7.048 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.593 10.851 -6.568 1.00 11.77 H new ATOM 847 N ARG A 54 5.166 9.261 -4.286 1.00 8.53 N ATOM 848 CA ARG A 54 6.461 8.895 -3.646 1.00 9.05 C ATOM 849 C ARG A 54 6.552 7.463 -3.888 1.00 8.96 C ATOM 850 O ARG A 54 5.582 6.812 -4.285 1.00 11.60 O ATOM 851 CB ARG A 54 6.468 9.184 -2.114 1.00 7.97 C ATOM 852 CG ARG A 54 6.000 10.574 -1.672 1.00 9.62 C ATOM 853 CD ARG A 54 6.381 10.850 -0.236 1.00 12.20 C ATOM 854 NE ARG A 54 5.561 11.968 0.263 1.00 18.23 N ATOM 855 CZ ARG A 54 5.649 12.298 1.538 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.489 11.669 2.376 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.887 13.301 1.925 1.00 23.38 N ATOM 0 H ARG A 54 4.374 9.248 -3.643 1.00 8.53 H new ATOM 0 HA ARG A 54 7.295 9.470 -4.048 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.837 8.442 -1.625 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.482 9.033 -1.744 1.00 7.97 H new ATOM 0 HG2 ARG A 54 6.441 11.332 -2.320 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.918 10.649 -1.784 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.221 9.962 0.375 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.440 11.098 -0.167 1.00 12.20 H new ATOM 0 HE ARG A 54 4.938 12.477 -0.364 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.082 10.913 2.032 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.534 11.947 3.356 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.280 13.769 1.252 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.905 13.609 2.897 1.00 23.38 H new ATOM 871 N THR A 55 7.705 6.871 -3.561 1.00 9.05 N ATOM 872 CA THR A 55 8.175 5.533 -3.880 1.00 9.03 C ATOM 873 C THR A 55 8.471 4.750 -2.615 1.00 8.15 C ATOM 874 O THR A 55 8.545 5.262 -1.463 1.00 5.91 O ATOM 875 CB THR A 55 9.434 5.466 -4.740 1.00 11.15 C ATOM 876 OG1 THR A 55 10.617 5.821 -4.081 1.00 11.95 O ATOM 877 CG2 THR A 55 9.420 6.404 -5.951 1.00 11.71 C ATOM 0 H THR A 55 8.399 7.376 -3.009 1.00 9.05 H new ATOM 0 HA THR A 55 7.354 5.108 -4.457 1.00 9.03 H new ATOM 0 HB THR A 55 9.421 4.413 -5.022 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.636 6.791 -3.944 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.351 6.294 -6.507 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.579 6.152 -6.597 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.320 7.435 -5.612 1.00 11.71 H new ATOM 885 N LEU A 56 8.583 3.430 -2.819 1.00 6.91 N ATOM 886 CA LEU A 56 8.858 2.440 -1.764 1.00 8.29 C ATOM 887 C LEU A 56 10.113 2.667 -1.006 1.00 8.05 C ATOM 888 O LEU A 56 10.233 2.541 0.191 1.00 10.17 O ATOM 889 CB LEU A 56 8.835 1.059 -2.420 1.00 6.60 C ATOM 890 CG LEU A 56 7.388 0.702 -2.870 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.532 -0.374 -3.963 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.599 0.066 -1.701 1.00 8.64 C ATOM 0 H LEU A 56 8.483 3.010 -3.743 1.00 6.91 H new ATOM 0 HA LEU A 56 8.084 2.534 -1.002 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.505 1.045 -3.280 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.201 0.309 -1.719 1.00 6.60 H new ATOM 0 HG LEU A 56 6.867 1.597 -3.211 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.544 -0.665 -4.319 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.113 0.026 -4.793 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.041 -1.245 -3.551 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.590 -0.177 -2.033 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.103 -0.844 -1.374 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.548 0.770 -0.871 1.00 8.64 H new ATOM 904 N SER A 57 11.197 3.151 -1.770 1.00 8.92 N ATOM 905 CA SER A 57 12.431 3.510 -1.179 1.00 9.00 C ATOM 906 C SER A 57 12.325 4.724 -0.177 1.00 9.44 C ATOM 907 O SER A 57 13.063 4.855 0.780 1.00 10.91 O ATOM 908 CB SER A 57 13.423 3.929 -2.329 1.00 10.32 C ATOM 909 OG SER A 57 14.721 3.731 -1.800 1.00 13.59 O ATOM 0 H SER A 57 11.167 3.273 -2.782 1.00 8.92 H new ATOM 0 HA SER A 57 12.774 2.645 -0.612 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.267 3.324 -3.222 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.272 4.969 -2.618 1.00 10.32 H new ATOM 0 HG SER A 57 15.390 3.975 -2.474 1.00 13.59 H new ATOM 915 N ASP A 58 11.468 5.711 -0.515 1.00 9.11 N ATOM 916 CA ASP A 58 11.347 7.035 0.203 1.00 7.91 C ATOM 917 C ASP A 58 10.639 6.926 1.588 1.00 9.12 C ATOM 918 O ASP A 58 10.876 7.758 2.458 1.00 8.61 O ATOM 919 CB ASP A 58 10.406 8.030 -0.621 1.00 8.41 C ATOM 920 CG ASP A 58 10.931 8.269 -1.997 1.00 11.50 C ATOM 921 OD1 ASP A 58 12.133 8.485 -2.160 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.188 8.133 -2.986 1.00 11.70 O ATOM 0 H ASP A 58 10.825 5.627 -1.302 1.00 9.11 H new ATOM 0 HA ASP A 58 12.375 7.381 0.312 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.400 7.614 -0.682 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.327 8.979 -0.091 1.00 8.41 H new ATOM 927 N TYR A 59 9.910 5.881 1.851 1.00 7.97 N ATOM 928 CA TYR A 59 9.381 5.556 3.098 1.00 8.45 C ATOM 929 C TYR A 59 10.208 4.422 3.788 1.00 10.98 C ATOM 930 O TYR A 59 9.880 3.938 4.876 1.00 12.95 O ATOM 931 CB TYR A 59 7.899 5.034 2.901 1.00 7.94 C ATOM 932 CG TYR A 59 6.984 6.209 2.725 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.678 6.989 3.830 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.381 6.470 1.482 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.798 8.073 3.712 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.411 7.440 1.394 1.00 6.52 C ATOM 937 CZ TYR A 59 5.085 8.272 2.490 1.00 6.76 C ATOM 938 OH TYR A 59 4.239 9.366 2.293 1.00 7.63 O ATOM 0 H TYR A 59 9.665 5.199 1.133 1.00 7.97 H new ATOM 0 HA TYR A 59 9.411 6.447 3.725 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.843 4.380 2.031 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.591 4.443 3.764 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.121 6.759 4.788 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.677 5.914 0.605 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.660 8.753 4.539 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.883 7.570 0.461 1.00 6.52 H new ATOM 0 HH TYR A 59 4.410 10.040 2.983 1.00 7.63 H new ATOM 948 N ASN A 60 11.366 4.034 3.194 1.00 12.38 N ATOM 949 CA ASN A 60 12.290 2.954 3.619 1.00 13.94 C ATOM 950 C ASN A 60 11.660 1.622 3.679 1.00 14.16 C ATOM 951 O ASN A 60 11.863 0.876 4.657 1.00 14.26 O ATOM 952 CB ASN A 60 13.007 3.285 4.951 1.00 19.23 C ATOM 953 CG ASN A 60 13.969 4.420 4.683 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.716 5.546 5.139 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.075 4.066 4.016 1.00 24.09 N ATOM 0 H ASN A 60 11.700 4.499 2.350 1.00 12.38 H new ATOM 0 HA ASN A 60 13.042 2.905 2.832 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.283 3.569 5.715 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.540 2.412 5.326 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.808 4.754 3.842 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.185 3.108 3.682 1.00 24.09 H new ATOM 962 N ILE A 61 10.821 1.227 2.642 1.00 11.08 N ATOM 963 CA ILE A 61 10.128 -0.083 2.430 1.00 11.78 C ATOM 964 C ILE A 61 11.248 -1.086 1.955 1.00 13.74 C ATOM 965 O ILE A 61 12.161 -0.785 1.132 1.00 14.60 O ATOM 966 CB ILE A 61 8.771 -0.002 1.811 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.827 0.836 2.677 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.175 -1.426 1.587 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.694 1.489 1.879 1.00 11.42 C ATOM 0 H ILE A 61 10.606 1.876 1.885 1.00 11.08 H new ATOM 0 HA ILE A 61 9.714 -0.542 3.328 1.00 11.78 H new ATOM 0 HB ILE A 61 8.876 0.485 0.841 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.397 0.202 3.453 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.401 1.613 3.182 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.187 -1.340 1.135 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.828 -1.994 0.925 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.093 -1.941 2.544 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.062 2.068 2.552 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.116 2.148 1.121 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.097 0.716 1.396 1.00 11.42 H new ATOM 981 N GLN A 62 11.222 -2.307 2.504 1.00 13.97 N ATOM 982 CA GLN A 62 12.279 -3.292 2.322 1.00 15.52 C ATOM 983 C GLN A 62 11.604 -4.630 2.152 1.00 13.94 C ATOM 984 O GLN A 62 10.378 -4.739 2.319 1.00 12.15 O ATOM 985 CB GLN A 62 13.182 -3.291 3.599 1.00 19.53 C ATOM 986 CG GLN A 62 14.251 -2.162 3.540 1.00 26.38 C ATOM 987 CD GLN A 62 15.138 -2.360 4.761 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.004 -3.322 5.528 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.153 -1.491 4.785 1.00 32.71 N ATOM 0 H GLN A 62 10.456 -2.636 3.092 1.00 13.97 H new ATOM 0 HA GLN A 62 12.902 -3.072 1.455 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.561 -3.160 4.485 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.677 -4.257 3.697 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.833 -2.224 2.621 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.781 -1.179 3.554 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.184 -0.724 4.113 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.897 -1.594 5.475 1.00 32.71 H new ATOM 998 N LYS A 63 12.359 -5.716 1.848 1.00 11.73 N ATOM 999 CA LYS A 63 11.867 -7.047 1.776 1.00 11.97 C ATOM 1000 C LYS A 63 11.122 -7.525 2.998 1.00 10.41 C ATOM 1001 O LYS A 63 11.555 -7.253 4.088 1.00 9.59 O ATOM 1002 CB LYS A 63 12.944 -8.057 1.337 1.00 13.73 C ATOM 1003 CG LYS A 63 14.100 -8.103 2.328 1.00 16.98 C ATOM 1004 CD LYS A 63 15.328 -8.950 1.882 1.00 20.19 C ATOM 1005 CE LYS A 63 16.475 -8.876 2.923 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.054 -9.452 4.197 1.00 25.97 N ATOM 0 H LYS A 63 13.356 -5.649 1.645 1.00 11.73 H new ATOM 0 HA LYS A 63 11.113 -6.998 0.990 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.500 -9.048 1.247 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.319 -7.785 0.350 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.434 -7.083 2.519 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.730 -8.500 3.274 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.025 -9.988 1.745 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.687 -8.593 0.917 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.348 -9.410 2.548 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.774 -7.838 3.069 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.883 -9.580 4.811 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.376 -8.813 4.659 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 15.602 -10.374 4.029 1.00 25.97 H new ATOM 1020 N GLU A 64 9.969 -8.186 2.814 1.00 10.04 N ATOM 1021 CA GLU A 64 9.104 -8.734 3.825 1.00 10.94 C ATOM 1022 C GLU A 64 8.516 -7.879 4.932 1.00 9.74 C ATOM 1023 O GLU A 64 7.996 -8.363 5.980 1.00 9.42 O ATOM 1024 CB GLU A 64 9.812 -9.961 4.474 1.00 18.31 C ATOM 1025 CG GLU A 64 9.853 -11.244 3.560 1.00 24.16 C ATOM 1026 CD GLU A 64 10.947 -12.248 3.957 1.00 29.00 C ATOM 1027 OE1 GLU A 64 10.748 -12.924 4.981 1.00 31.72 O ATOM 1028 OE2 GLU A 64 11.987 -12.265 3.253 1.00 32.61 O ATOM 0 H GLU A 64 9.605 -8.355 1.876 1.00 10.04 H new ATOM 0 HA GLU A 64 8.213 -8.943 3.233 1.00 10.94 H new ATOM 0 HB2 GLU A 64 10.833 -9.681 4.733 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.303 -10.209 5.405 1.00 18.31 H new ATOM 0 HG2 GLU A 64 8.884 -11.741 3.602 1.00 24.16 H new ATOM 0 HG3 GLU A 64 10.010 -10.938 2.526 1.00 24.16 H new ATOM 1035 N SER A 65 8.711 -6.530 4.774 1.00 6.85 N ATOM 1036 CA SER A 65 8.174 -5.486 5.595 1.00 6.90 C ATOM 1037 C SER A 65 6.707 -5.455 5.510 1.00 4.72 C ATOM 1038 O SER A 65 6.137 -5.573 4.415 1.00 3.91 O ATOM 1039 CB SER A 65 8.704 -4.062 5.310 1.00 7.28 C ATOM 1040 OG SER A 65 10.046 -3.931 5.739 1.00 10.56 O ATOM 0 H SER A 65 9.286 -6.162 4.016 1.00 6.85 H new ATOM 0 HA SER A 65 8.518 -5.748 6.596 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.636 -3.850 4.243 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.081 -3.328 5.821 1.00 7.28 H new ATOM 0 HG SER A 65 10.363 -3.024 5.548 1.00 10.56 H new ATOM 1046 N THR A 66 5.997 -5.341 6.604 1.00 4.48 N ATOM 1047 CA THR A 66 4.511 -5.420 6.644 1.00 3.80 C ATOM 1048 C THR A 66 3.963 -3.946 6.613 1.00 4.60 C ATOM 1049 O THR A 66 3.792 -3.301 7.624 1.00 5.33 O ATOM 1050 CB THR A 66 3.898 -6.184 7.770 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.386 -7.498 7.813 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.340 -6.153 7.706 1.00 3.40 C ATOM 0 H THR A 66 6.417 -5.188 7.521 1.00 4.48 H new ATOM 0 HA THR A 66 4.217 -6.008 5.774 1.00 3.80 H new ATOM 0 HB THR A 66 4.190 -5.692 8.698 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.970 -7.977 8.560 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.930 -6.720 8.542 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.994 -5.121 7.763 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.005 -6.597 6.768 1.00 3.40 H new ATOM 1060 N LEU A 67 3.576 -3.516 5.390 1.00 4.17 N ATOM 1061 CA LEU A 67 2.749 -2.407 5.150 1.00 3.85 C ATOM 1062 C LEU A 67 1.349 -2.651 5.775 1.00 3.80 C ATOM 1063 O LEU A 67 0.798 -3.752 5.860 1.00 5.54 O ATOM 1064 CB LEU A 67 2.539 -2.255 3.636 1.00 7.18 C ATOM 1065 CG LEU A 67 3.887 -2.031 2.907 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.527 -1.411 1.502 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.858 -1.132 3.706 1.00 11.66 C ATOM 0 H LEU A 67 3.868 -3.984 4.532 1.00 4.17 H new ATOM 0 HA LEU A 67 3.218 -1.522 5.580 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.052 -3.147 3.242 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.872 -1.415 3.440 1.00 7.18 H new ATOM 0 HG LEU A 67 4.422 -2.974 2.797 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.443 -1.230 0.939 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.893 -2.105 0.950 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.997 -0.469 1.645 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.785 -1.010 3.146 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.401 -0.156 3.867 1.00 11.66 H new ATOM 0 HD23 LEU A 67 5.074 -1.595 4.669 1.00 11.66 H new ATOM 1079 N HIS A 68 0.670 -1.579 6.258 1.00 2.94 N ATOM 1080 CA HIS A 68 -0.638 -1.583 6.809 1.00 4.17 C ATOM 1081 C HIS A 68 -1.643 -0.957 5.791 1.00 5.32 C ATOM 1082 O HIS A 68 -1.196 -0.108 5.066 1.00 7.70 O ATOM 1083 CB HIS A 68 -0.791 -0.819 8.188 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.199 -1.680 9.342 1.00 9.95 C ATOM 1085 ND1 HIS A 68 1.101 -2.066 9.319 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.754 -2.304 10.421 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.284 -2.820 10.427 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.251 -2.944 11.141 1.00 16.30 N ATOM 0 H HIS A 68 1.081 -0.645 6.256 1.00 2.94 H new ATOM 0 HA HIS A 68 -0.853 -2.633 7.010 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.278 0.142 8.140 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -1.843 -0.609 8.382 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -1.804 -2.302 10.675 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.230 -3.276 10.678 1.00 14.75 H new ATOM 0 HE2 HIS A 68 0.170 -3.410 12.045 1.00 16.30 H new ATOM 1096 N LEU A 69 -2.925 -1.305 5.760 1.00 5.29 N ATOM 1097 CA LEU A 69 -3.898 -0.759 4.806 1.00 3.97 C ATOM 1098 C LEU A 69 -5.195 -0.612 5.487 1.00 5.07 C ATOM 1099 O LEU A 69 -5.526 -1.330 6.396 1.00 4.34 O ATOM 1100 CB LEU A 69 -3.926 -1.786 3.545 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.039 -1.810 2.507 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.013 -0.647 1.533 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -4.881 -3.066 1.658 1.00 9.96 C ATOM 0 H LEU A 69 -3.329 -1.984 6.405 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.640 0.233 4.436 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -2.998 -1.624 2.997 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -3.877 -2.790 3.966 1.00 6.08 H new ATOM 0 HG LEU A 69 -5.970 -1.764 3.072 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.840 -0.743 0.829 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.111 0.290 2.082 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.070 -0.651 0.987 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -5.671 -3.100 0.908 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -3.910 -3.050 1.162 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -4.948 -3.947 2.296 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.002 0.339 5.092 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.372 0.534 5.577 1.00 6.26 C ATOM 1117 C VAL A 70 -8.358 0.746 4.410 1.00 9.22 C ATOM 1118 O VAL A 70 -8.027 1.545 3.492 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.474 1.637 6.548 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.881 1.470 7.180 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.376 1.723 7.599 1.00 8.54 C ATOM 0 H VAL A 70 -5.726 1.033 4.397 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.647 -0.383 6.098 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.336 2.585 6.028 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -9.043 2.254 7.919 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.640 1.543 6.402 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.949 0.496 7.664 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.564 2.575 8.253 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.366 0.807 8.190 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.411 1.849 7.108 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.457 0.058 4.337 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.417 0.203 3.292 1.00 16.06 C ATOM 1133 C LEU A 71 -11.648 1.008 3.573 1.00 18.09 C ATOM 1134 O LEU A 71 -12.303 0.946 4.628 1.00 19.26 O ATOM 1135 CB LEU A 71 -10.858 -1.141 2.766 1.00 17.10 C ATOM 1136 CG LEU A 71 -9.726 -2.062 2.265 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -10.309 -3.264 1.476 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -8.625 -1.412 1.415 1.00 19.57 C ATOM 0 H LEU A 71 -9.716 -0.644 5.030 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.853 0.784 2.562 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.402 -1.660 3.555 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.560 -0.979 1.948 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.235 -2.369 3.188 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -9.495 -3.902 1.131 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -10.970 -3.839 2.125 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -10.872 -2.897 0.617 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -7.893 -2.167 1.129 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.067 -0.976 0.519 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.133 -0.630 1.993 1.00 19.57 H new