USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 THR OG1 : rot 180:sc= 0.527 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.535 K(o=1.1,f=0.033) USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0.359 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc=-0.00314 USER MOD Single : A 1 MET CE :methyl 160:sc= 0 (180deg=-0.621) USER MOD Single : A 1 MET N :NH3+ -170:sc= 1.27 (180deg=1.18) 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+ 150:sc= 1.28 (180deg=-0.0466!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -76:sc= 0.217 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0117 USER MOD Single : A 27 LYS NZ :NH3+ -166:sc= 1.05 (180deg=0.908) USER MOD Single : A 29 LYS NZ :NH3+ 130:sc= -0.186 (180deg=-0.477) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.536 K(o=-0.54,f=0) USER MOD Single : A 41 GLN : amide:sc= 0.943 K(o=0.94,f=-3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 1.4 K(o=1.4,f=-4.1!) USER MOD Single : A 55 THR OG1 : rot -35:sc= 1.42 USER MOD Single : A 57 SER OG : rot 84:sc= 1.25 USER MOD Single : A 59 TYR OH : rot 50:sc= 0.733 USER MOD Single : A 60 ASN : amide:sc= -0.0709 X(o=-0.071,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 85:sc= 1.29 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -0.232 K(o=-0.23,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.579 3.100 -4.074 1.00 9.67 N ATOM 2 CA MET A 1 -13.476 3.857 -2.807 1.00 10.38 C ATOM 3 C MET A 1 -12.189 4.508 -2.430 1.00 9.62 C ATOM 4 O MET A 1 -11.189 4.088 -3.008 1.00 9.62 O ATOM 5 CB MET A 1 -13.960 2.922 -1.686 1.00 13.77 C ATOM 6 CG MET A 1 -12.943 2.089 -0.903 1.00 16.29 C ATOM 7 SD MET A 1 -13.450 0.470 -0.251 1.00 17.17 S ATOM 8 CE MET A 1 -11.817 -0.254 0.081 1.00 16.11 C ATOM 0 H1 MET A 1 -14.575 2.863 -4.257 1.00 9.67 H new ATOM 0 H2 MET A 1 -13.212 3.680 -4.856 1.00 9.67 H new ATOM 0 H3 MET A 1 -13.022 2.225 -4.002 1.00 9.67 H new ATOM 0 HA MET A 1 -14.095 4.739 -2.969 1.00 10.38 H new ATOM 0 HB2 MET A 1 -14.505 3.532 -0.966 1.00 13.77 H new ATOM 0 HB3 MET A 1 -14.678 2.230 -2.126 1.00 13.77 H new ATOM 0 HG2 MET A 1 -12.081 1.928 -1.550 1.00 16.29 H new ATOM 0 HG3 MET A 1 -12.602 2.691 -0.061 1.00 16.29 H new ATOM 0 HE1 MET A 1 -11.920 -1.072 0.794 1.00 16.11 H new ATOM 0 HE2 MET A 1 -11.391 -0.633 -0.848 1.00 16.11 H new ATOM 0 HE3 MET A 1 -11.159 0.509 0.497 1.00 16.11 H new ATOM 20 N GLN A 2 -12.159 5.558 -1.590 1.00 9.27 N ATOM 21 CA GLN A 2 -11.045 6.434 -1.402 1.00 9.07 C ATOM 22 C GLN A 2 -10.294 5.886 -0.238 1.00 8.72 C ATOM 23 O GLN A 2 -10.902 5.555 0.779 1.00 8.22 O ATOM 24 CB GLN A 2 -11.617 7.841 -1.161 1.00 14.46 C ATOM 25 CG GLN A 2 -10.647 9.006 -0.952 1.00 17.01 C ATOM 26 CD GLN A 2 -11.436 10.275 -0.661 1.00 20.10 C ATOM 27 OE1 GLN A 2 -11.577 10.611 0.514 1.00 21.89 O ATOM 28 NE2 GLN A 2 -11.792 11.063 -1.711 1.00 19.49 N ATOM 0 H GLN A 2 -12.959 5.809 -1.009 1.00 9.27 H new ATOM 0 HA GLN A 2 -10.364 6.503 -2.251 1.00 9.07 H new ATOM 0 HB2 GLN A 2 -12.252 8.089 -2.011 1.00 14.46 H new ATOM 0 HB3 GLN A 2 -12.263 7.789 -0.285 1.00 14.46 H new ATOM 0 HG2 GLN A 2 -9.971 8.787 -0.125 1.00 17.01 H new ATOM 0 HG3 GLN A 2 -10.030 9.144 -1.840 1.00 17.01 H new ATOM 0 HE21 GLN A 2 -11.652 10.734 -2.666 1.00 19.49 H new ATOM 0 HE22 GLN A 2 -12.198 11.983 -1.543 1.00 19.49 H new ATOM 37 N ILE A 3 -8.952 5.800 -0.252 1.00 5.87 N ATOM 38 CA ILE A 3 -8.074 5.515 0.839 1.00 5.07 C ATOM 39 C ILE A 3 -6.948 6.491 0.879 1.00 4.01 C ATOM 40 O ILE A 3 -6.810 7.286 -0.050 1.00 4.61 O ATOM 41 CB ILE A 3 -7.591 4.095 0.864 1.00 6.55 C ATOM 42 CG1 ILE A 3 -6.893 3.613 -0.419 1.00 4.72 C ATOM 43 CG2 ILE A 3 -8.809 3.195 1.133 1.00 5.58 C ATOM 44 CD1 ILE A 3 -5.854 2.514 -0.203 1.00 10.83 C ATOM 0 H ILE A 3 -8.432 5.945 -1.117 1.00 5.87 H new ATOM 0 HA ILE A 3 -8.660 5.632 1.750 1.00 5.07 H new ATOM 0 HB ILE A 3 -6.830 4.040 1.643 1.00 6.55 H new ATOM 0 HG12 ILE A 3 -7.650 3.248 -1.113 1.00 4.72 H new ATOM 0 HG13 ILE A 3 -6.408 4.465 -0.895 1.00 4.72 H new ATOM 0 HG21 ILE A 3 -8.493 2.152 1.158 1.00 5.58 H new ATOM 0 HG22 ILE A 3 -9.254 3.462 2.092 1.00 5.58 H new ATOM 0 HG23 ILE A 3 -9.545 3.332 0.341 1.00 5.58 H new ATOM 0 HD11 ILE A 3 -5.414 2.236 -1.161 1.00 10.83 H new ATOM 0 HD12 ILE A 3 -5.073 2.878 0.464 1.00 10.83 H new ATOM 0 HD13 ILE A 3 -6.334 1.642 0.242 1.00 10.83 H new ATOM 56 N PHE A 4 -6.271 6.573 2.038 1.00 4.55 N ATOM 57 CA PHE A 4 -5.108 7.381 2.233 1.00 4.68 C ATOM 58 C PHE A 4 -3.931 6.498 2.468 1.00 5.30 C ATOM 59 O PHE A 4 -3.970 5.443 3.099 1.00 5.58 O ATOM 60 CB PHE A 4 -5.112 8.403 3.382 1.00 4.83 C ATOM 61 CG PHE A 4 -6.374 9.185 3.256 1.00 7.97 C ATOM 62 CD1 PHE A 4 -6.535 10.221 2.366 1.00 6.69 C ATOM 63 CD2 PHE A 4 -7.291 8.984 4.260 1.00 8.34 C ATOM 64 CE1 PHE A 4 -7.707 10.940 2.396 1.00 9.10 C ATOM 65 CE2 PHE A 4 -8.336 9.868 4.396 1.00 10.61 C ATOM 66 CZ PHE A 4 -8.644 10.744 3.383 1.00 8.90 C ATOM 0 H PHE A 4 -6.545 6.055 2.873 1.00 4.55 H new ATOM 0 HA PHE A 4 -5.077 7.970 1.316 1.00 4.68 H new ATOM 0 HB2 PHE A 4 -5.064 7.900 4.348 1.00 4.83 H new ATOM 0 HB3 PHE A 4 -4.243 9.058 3.320 1.00 4.83 H new ATOM 0 HD1 PHE A 4 -5.757 10.465 1.658 1.00 6.69 H new ATOM 0 HD2 PHE A 4 -7.192 8.144 4.932 1.00 8.34 H new ATOM 0 HE1 PHE A 4 -7.896 11.675 1.627 1.00 9.10 H new ATOM 0 HE2 PHE A 4 -8.919 9.874 5.305 1.00 10.61 H new ATOM 0 HZ PHE A 4 -9.592 11.262 3.363 1.00 8.90 H new ATOM 76 N VAL A 5 -2.722 6.827 1.977 1.00 4.44 N ATOM 77 CA VAL A 5 -1.478 6.151 2.170 1.00 3.87 C ATOM 78 C VAL A 5 -0.504 7.229 2.501 1.00 4.93 C ATOM 79 O VAL A 5 -0.270 8.097 1.662 1.00 6.84 O ATOM 80 CB VAL A 5 -0.950 5.397 0.985 1.00 2.99 C ATOM 81 CG1 VAL A 5 0.309 4.563 1.278 1.00 5.28 C ATOM 82 CG2 VAL A 5 -2.049 4.565 0.303 1.00 9.13 C ATOM 0 H VAL A 5 -2.609 7.650 1.386 1.00 4.44 H new ATOM 0 HA VAL A 5 -1.626 5.392 2.938 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.624 6.161 0.279 1.00 2.99 H new ATOM 0 HG11 VAL A 5 0.625 4.050 0.370 1.00 5.28 H new ATOM 0 HG12 VAL A 5 1.109 5.220 1.621 1.00 5.28 H new ATOM 0 HG13 VAL A 5 0.087 3.828 2.051 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -1.627 4.034 -0.550 1.00 9.13 H new ATOM 0 HG22 VAL A 5 -2.454 3.845 1.014 1.00 9.13 H new ATOM 0 HG23 VAL A 5 -2.846 5.225 -0.039 1.00 9.13 H new ATOM 92 N LYS A 6 0.062 7.232 3.721 1.00 6.04 N ATOM 93 CA LYS A 6 1.021 8.219 4.109 1.00 6.12 C ATOM 94 C LYS A 6 2.357 7.625 3.823 1.00 6.57 C ATOM 95 O LYS A 6 2.690 6.496 4.179 1.00 5.76 O ATOM 96 CB LYS A 6 0.796 8.601 5.582 1.00 7.45 C ATOM 97 CG LYS A 6 1.425 7.648 6.601 1.00 11.12 C ATOM 98 CD LYS A 6 0.928 8.042 7.993 1.00 14.54 C ATOM 99 CE LYS A 6 1.706 9.100 8.778 1.00 18.84 C ATOM 100 NZ LYS A 6 1.219 9.322 10.158 1.00 20.55 N ATOM 0 H LYS A 6 -0.147 6.544 4.445 1.00 6.04 H new ATOM 0 HA LYS A 6 0.932 9.156 3.558 1.00 6.12 H new ATOM 0 HB2 LYS A 6 1.196 9.601 5.747 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -0.277 8.652 5.769 1.00 7.45 H new ATOM 0 HG2 LYS A 6 1.151 6.617 6.377 1.00 11.12 H new ATOM 0 HG3 LYS A 6 2.512 7.706 6.555 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.098 8.395 7.890 1.00 14.54 H new ATOM 0 HD3 LYS A 6 0.895 7.138 8.600 1.00 14.54 H new ATOM 0 HE2 LYS A 6 2.755 8.805 8.819 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.661 10.044 8.234 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.800 10.052 10.618 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.228 9.635 10.130 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 1.287 8.435 10.697 1.00 20.55 H new ATOM 114 N THR A 7 3.193 8.356 3.064 1.00 7.41 N ATOM 115 CA THR A 7 4.564 8.025 2.826 1.00 7.48 C ATOM 116 C THR A 7 5.476 8.230 3.986 1.00 8.75 C ATOM 117 O THR A 7 5.111 8.815 5.004 1.00 8.58 O ATOM 118 CB THR A 7 5.178 8.697 1.633 1.00 9.61 C ATOM 119 OG1 THR A 7 5.683 9.998 1.892 1.00 11.78 O ATOM 120 CG2 THR A 7 4.141 8.680 0.497 1.00 9.17 C ATOM 0 H THR A 7 2.901 9.214 2.596 1.00 7.41 H new ATOM 0 HA THR A 7 4.482 6.956 2.630 1.00 7.48 H new ATOM 0 HB THR A 7 6.067 8.138 1.341 1.00 9.61 H new ATOM 0 HG1 THR A 7 6.067 10.369 1.071 1.00 11.78 H new ATOM 0 HG21 THR A 7 4.560 9.163 -0.386 1.00 9.17 H new ATOM 0 HG22 THR A 7 3.881 7.649 0.257 1.00 9.17 H new ATOM 0 HG23 THR A 7 3.246 9.216 0.813 1.00 9.17 H new ATOM 128 N LEU A 8 6.718 7.721 3.905 1.00 9.84 N ATOM 129 CA LEU A 8 7.685 7.746 4.958 1.00 14.15 C ATOM 130 C LEU A 8 8.119 9.142 5.246 1.00 17.37 C ATOM 131 O LEU A 8 8.122 9.590 6.392 1.00 17.01 O ATOM 132 CB LEU A 8 8.806 6.759 4.591 1.00 16.63 C ATOM 133 CG LEU A 8 9.767 6.423 5.743 1.00 18.88 C ATOM 134 CD1 LEU A 8 9.026 5.769 6.922 1.00 18.59 C ATOM 135 CD2 LEU A 8 10.824 5.437 5.216 1.00 19.31 C ATOM 0 H LEU A 8 7.066 7.268 3.060 1.00 9.84 H new ATOM 0 HA LEU A 8 7.268 7.409 5.907 1.00 14.15 H new ATOM 0 HB2 LEU A 8 8.354 5.835 4.231 1.00 16.63 H new ATOM 0 HB3 LEU A 8 9.382 7.175 3.765 1.00 16.63 H new ATOM 0 HG LEU A 8 10.224 7.347 6.098 1.00 18.88 H new ATOM 0 HD11 LEU A 8 9.736 5.545 7.718 1.00 18.59 H new ATOM 0 HD12 LEU A 8 8.264 6.452 7.297 1.00 18.59 H new ATOM 0 HD13 LEU A 8 8.553 4.846 6.587 1.00 18.59 H new ATOM 0 HD21 LEU A 8 11.518 5.184 6.018 1.00 19.31 H new ATOM 0 HD22 LEU A 8 10.332 4.531 4.863 1.00 19.31 H new ATOM 0 HD23 LEU A 8 11.372 5.896 4.393 1.00 19.31 H new ATOM 147 N THR A 9 8.451 9.914 4.196 1.00 18.33 N ATOM 148 CA THR A 9 8.909 11.268 4.252 1.00 19.24 C ATOM 149 C THR A 9 7.861 12.276 4.577 1.00 19.48 C ATOM 150 O THR A 9 8.065 13.125 5.442 1.00 23.14 O ATOM 151 CB THR A 9 9.564 11.606 2.946 1.00 18.97 C ATOM 152 OG1 THR A 9 8.688 11.499 1.833 1.00 20.24 O ATOM 153 CG2 THR A 9 10.630 10.562 2.573 1.00 19.70 C ATOM 0 H THR A 9 8.395 9.566 3.239 1.00 18.33 H new ATOM 0 HA THR A 9 9.613 11.322 5.082 1.00 19.24 H new ATOM 0 HB THR A 9 9.936 12.618 3.106 1.00 18.97 H new ATOM 0 HG1 THR A 9 9.171 11.733 1.013 1.00 20.24 H new ATOM 0 HG21 THR A 9 11.088 10.833 1.622 1.00 19.70 H new ATOM 0 HG22 THR A 9 11.396 10.531 3.348 1.00 19.70 H new ATOM 0 HG23 THR A 9 10.163 9.581 2.484 1.00 19.70 H new ATOM 161 N GLY A 10 6.716 12.245 3.871 1.00 19.43 N ATOM 162 CA GLY A 10 5.853 13.367 4.073 1.00 18.74 C ATOM 163 C GLY A 10 4.961 13.702 2.927 1.00 17.62 C ATOM 164 O GLY A 10 5.003 14.756 2.294 1.00 19.74 O ATOM 0 H GLY A 10 6.407 11.521 3.222 1.00 19.43 H new ATOM 0 HA2 GLY A 10 5.234 13.174 4.949 1.00 18.74 H new ATOM 0 HA3 GLY A 10 6.466 14.239 4.301 1.00 18.74 H new ATOM 168 N LYS A 11 4.288 12.639 2.453 1.00 13.56 N ATOM 169 CA LYS A 11 3.180 12.906 1.590 1.00 11.91 C ATOM 170 C LYS A 11 2.036 12.006 1.908 1.00 10.18 C ATOM 171 O LYS A 11 2.281 10.837 2.203 1.00 9.10 O ATOM 172 CB LYS A 11 3.727 12.651 0.176 1.00 13.43 C ATOM 173 CG LYS A 11 2.664 13.006 -0.866 1.00 16.69 C ATOM 174 CD LYS A 11 3.237 12.800 -2.269 1.00 17.92 C ATOM 175 CE LYS A 11 2.307 13.346 -3.354 1.00 20.81 C ATOM 176 NZ LYS A 11 3.011 13.395 -4.655 1.00 21.93 N ATOM 0 H LYS A 11 4.490 11.659 2.649 1.00 13.56 H new ATOM 0 HA LYS A 11 2.795 13.920 1.699 1.00 11.91 H new ATOM 0 HB2 LYS A 11 4.624 13.248 0.011 1.00 13.43 H new ATOM 0 HB3 LYS A 11 4.016 11.605 0.072 1.00 13.43 H new ATOM 0 HG2 LYS A 11 1.781 12.383 -0.727 1.00 16.69 H new ATOM 0 HG3 LYS A 11 2.347 14.041 -0.739 1.00 16.69 H new ATOM 0 HD2 LYS A 11 4.206 13.293 -2.341 1.00 17.92 H new ATOM 0 HD3 LYS A 11 3.407 11.737 -2.439 1.00 17.92 H new ATOM 0 HE2 LYS A 11 1.422 12.715 -3.435 1.00 20.81 H new ATOM 0 HE3 LYS A 11 1.964 14.344 -3.080 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 2.325 13.264 -5.426 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 3.479 14.317 -4.762 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 3.724 12.638 -4.693 1.00 21.93 H new ATOM 190 N THR A 12 0.817 12.572 1.930 1.00 9.63 N ATOM 191 CA THR A 12 -0.401 11.834 2.064 1.00 9.85 C ATOM 192 C THR A 12 -0.961 11.591 0.705 1.00 11.66 C ATOM 193 O THR A 12 -1.500 12.507 0.085 1.00 12.33 O ATOM 194 CB THR A 12 -1.420 12.472 2.961 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.856 12.860 4.205 1.00 10.91 O ATOM 196 CG2 THR A 12 -2.657 11.581 3.167 1.00 9.63 C ATOM 0 H THR A 12 0.673 13.579 1.852 1.00 9.63 H new ATOM 0 HA THR A 12 -0.155 10.894 2.557 1.00 9.85 H new ATOM 0 HB THR A 12 -1.756 13.375 2.452 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.548 13.273 4.763 1.00 10.91 H new ATOM 0 HG21 THR A 12 -3.365 12.087 3.823 1.00 9.63 H new ATOM 0 HG22 THR A 12 -3.130 11.387 2.204 1.00 9.63 H new ATOM 0 HG23 THR A 12 -2.354 10.637 3.619 1.00 9.63 H new ATOM 204 N ILE A 13 -0.859 10.394 0.100 1.00 10.42 N ATOM 205 CA ILE A 13 -1.401 10.045 -1.177 1.00 11.84 C ATOM 206 C ILE A 13 -2.809 9.570 -1.069 1.00 10.55 C ATOM 207 O ILE A 13 -3.157 8.635 -0.350 1.00 11.92 O ATOM 208 CB ILE A 13 -0.586 8.923 -1.750 1.00 14.86 C ATOM 209 CG1 ILE A 13 0.919 9.216 -1.626 1.00 14.87 C ATOM 210 CG2 ILE A 13 -0.928 8.737 -3.238 1.00 17.08 C ATOM 211 CD1 ILE A 13 1.770 7.961 -1.808 1.00 16.46 C ATOM 0 H ILE A 13 -0.363 9.616 0.535 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.376 10.934 -1.807 1.00 11.84 H new ATOM 0 HB ILE A 13 -0.822 8.018 -1.191 1.00 14.86 H new ATOM 0 HG12 ILE A 13 1.205 9.958 -2.372 1.00 14.87 H new ATOM 0 HG13 ILE A 13 1.123 9.652 -0.648 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -0.333 7.921 -3.649 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.987 8.502 -3.341 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -0.706 9.656 -3.780 1.00 17.08 H new ATOM 0 HD11 ILE A 13 2.825 8.219 -1.712 1.00 16.46 H new ATOM 0 HD12 ILE A 13 1.505 7.228 -1.046 1.00 16.46 H new ATOM 0 HD13 ILE A 13 1.589 7.539 -2.796 1.00 16.46 H new ATOM 223 N THR A 14 -3.782 10.231 -1.722 1.00 9.39 N ATOM 224 CA THR A 14 -5.186 9.964 -1.668 1.00 9.63 C ATOM 225 C THR A 14 -5.410 9.177 -2.913 1.00 11.20 C ATOM 226 O THR A 14 -5.018 9.610 -3.995 1.00 11.63 O ATOM 227 CB THR A 14 -6.094 11.156 -1.736 1.00 10.38 C ATOM 228 OG1 THR A 14 -5.958 11.929 -0.553 1.00 16.30 O ATOM 229 CG2 THR A 14 -7.559 10.689 -1.764 1.00 11.66 C ATOM 0 H THR A 14 -3.567 11.016 -2.337 1.00 9.39 H new ATOM 0 HA THR A 14 -5.421 9.493 -0.713 1.00 9.63 H new ATOM 0 HB THR A 14 -5.834 11.729 -2.626 1.00 10.38 H new ATOM 0 HG1 THR A 14 -6.432 11.488 0.182 1.00 16.30 H new ATOM 0 HG21 THR A 14 -8.217 11.557 -1.813 1.00 11.66 H new ATOM 0 HG22 THR A 14 -7.723 10.059 -2.638 1.00 11.66 H new ATOM 0 HG23 THR A 14 -7.777 10.120 -0.860 1.00 11.66 H new ATOM 237 N LEU A 15 -5.908 7.936 -2.768 1.00 8.29 N ATOM 238 CA LEU A 15 -6.054 6.897 -3.741 1.00 9.03 C ATOM 239 C LEU A 15 -7.474 6.459 -3.841 1.00 8.59 C ATOM 240 O LEU A 15 -8.316 6.846 -3.032 1.00 7.79 O ATOM 241 CB LEU A 15 -5.287 5.646 -3.281 1.00 11.08 C ATOM 242 CG LEU A 15 -3.757 5.672 -3.439 1.00 15.79 C ATOM 243 CD1 LEU A 15 -3.211 4.252 -3.212 1.00 15.27 C ATOM 244 CD2 LEU A 15 -3.243 6.158 -4.805 1.00 15.88 C ATOM 0 H LEU A 15 -6.248 7.627 -1.857 1.00 8.29 H new ATOM 0 HA LEU A 15 -5.688 7.293 -4.688 1.00 9.03 H new ATOM 0 HB2 LEU A 15 -5.517 5.474 -2.229 1.00 11.08 H new ATOM 0 HB3 LEU A 15 -5.671 4.789 -3.835 1.00 11.08 H new ATOM 0 HG LEU A 15 -3.404 6.393 -2.702 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -2.127 4.257 -3.321 1.00 15.27 H new ATOM 0 HD12 LEU A 15 -3.473 3.918 -2.208 1.00 15.27 H new ATOM 0 HD13 LEU A 15 -3.646 3.573 -3.945 1.00 15.27 H new ATOM 0 HD21 LEU A 15 -2.153 6.138 -4.812 1.00 15.88 H new ATOM 0 HD22 LEU A 15 -3.623 5.504 -5.590 1.00 15.88 H new ATOM 0 HD23 LEU A 15 -3.588 7.177 -4.982 1.00 15.88 H new ATOM 256 N GLU A 16 -7.742 5.657 -4.887 1.00 11.04 N ATOM 257 CA GLU A 16 -9.021 5.100 -5.204 1.00 11.50 C ATOM 258 C GLU A 16 -8.811 3.667 -5.556 1.00 10.13 C ATOM 259 O GLU A 16 -8.092 3.365 -6.507 1.00 9.83 O ATOM 260 CB GLU A 16 -9.654 5.786 -6.426 1.00 17.22 C ATOM 261 CG GLU A 16 -10.497 6.982 -5.980 1.00 23.33 C ATOM 262 CD GLU A 16 -10.837 7.955 -7.101 1.00 26.99 C ATOM 263 OE1 GLU A 16 -9.927 8.703 -7.548 1.00 28.90 O ATOM 264 OE2 GLU A 16 -11.967 7.943 -7.657 1.00 28.86 O ATOM 0 H GLU A 16 -7.020 5.381 -5.553 1.00 11.04 H new ATOM 0 HA GLU A 16 -9.681 5.233 -4.347 1.00 11.50 H new ATOM 0 HB2 GLU A 16 -8.874 6.117 -7.112 1.00 17.22 H new ATOM 0 HB3 GLU A 16 -10.276 5.075 -6.970 1.00 17.22 H new ATOM 0 HG2 GLU A 16 -11.423 6.615 -5.538 1.00 23.33 H new ATOM 0 HG3 GLU A 16 -9.961 7.519 -5.197 1.00 23.33 H new ATOM 271 N VAL A 17 -9.471 2.790 -4.779 1.00 8.99 N ATOM 272 CA VAL A 17 -9.220 1.391 -4.935 1.00 8.85 C ATOM 273 C VAL A 17 -10.564 0.760 -4.812 1.00 8.04 C ATOM 274 O VAL A 17 -11.556 1.379 -4.429 1.00 8.99 O ATOM 275 CB VAL A 17 -8.307 0.926 -3.839 1.00 9.78 C ATOM 276 CG1 VAL A 17 -6.981 1.695 -3.974 1.00 12.05 C ATOM 277 CG2 VAL A 17 -8.821 1.122 -2.403 1.00 10.54 C ATOM 0 H VAL A 17 -10.156 3.037 -4.065 1.00 8.99 H new ATOM 0 HA VAL A 17 -8.739 1.140 -5.880 1.00 8.85 H new ATOM 0 HB VAL A 17 -8.214 -0.152 -3.972 1.00 9.78 H new ATOM 0 HG11 VAL A 17 -6.295 1.378 -3.189 1.00 12.05 H new ATOM 0 HG12 VAL A 17 -6.538 1.488 -4.948 1.00 12.05 H new ATOM 0 HG13 VAL A 17 -7.170 2.765 -3.881 1.00 12.05 H new ATOM 0 HG21 VAL A 17 -8.079 0.750 -1.697 1.00 10.54 H new ATOM 0 HG22 VAL A 17 -8.996 2.182 -2.221 1.00 10.54 H new ATOM 0 HG23 VAL A 17 -9.753 0.573 -2.272 1.00 10.54 H new ATOM 287 N GLU A 18 -10.719 -0.536 -5.135 1.00 7.29 N ATOM 288 CA GLU A 18 -11.881 -1.218 -4.654 1.00 7.08 C ATOM 289 C GLU A 18 -11.512 -2.145 -3.548 1.00 6.45 C ATOM 290 O GLU A 18 -10.317 -2.418 -3.443 1.00 5.28 O ATOM 291 CB GLU A 18 -12.339 -2.120 -5.812 1.00 10.28 C ATOM 292 CG GLU A 18 -13.069 -1.250 -6.838 1.00 12.65 C ATOM 293 CD GLU A 18 -13.776 -2.163 -7.830 1.00 14.15 C ATOM 294 OE1 GLU A 18 -13.072 -2.679 -8.739 1.00 18.17 O ATOM 295 OE2 GLU A 18 -15.009 -2.370 -7.671 1.00 14.33 O ATOM 0 H GLU A 18 -10.076 -1.090 -5.700 1.00 7.29 H new ATOM 0 HA GLU A 18 -12.628 -0.500 -4.314 1.00 7.08 H new ATOM 0 HB2 GLU A 18 -11.482 -2.612 -6.272 1.00 10.28 H new ATOM 0 HB3 GLU A 18 -12.998 -2.906 -5.443 1.00 10.28 H new ATOM 0 HG2 GLU A 18 -13.790 -0.601 -6.340 1.00 12.65 H new ATOM 0 HG3 GLU A 18 -12.362 -0.602 -7.357 1.00 12.65 H new ATOM 302 N PRO A 19 -12.410 -2.749 -2.827 1.00 7.24 N ATOM 303 CA PRO A 19 -11.963 -3.613 -1.773 1.00 7.07 C ATOM 304 C PRO A 19 -11.574 -4.960 -2.279 1.00 6.65 C ATOM 305 O PRO A 19 -11.233 -5.875 -1.532 1.00 6.37 O ATOM 306 CB PRO A 19 -13.141 -3.687 -0.805 1.00 7.61 C ATOM 307 CG PRO A 19 -14.379 -3.458 -1.687 1.00 8.16 C ATOM 308 CD PRO A 19 -13.815 -2.409 -2.659 1.00 7.49 C ATOM 0 HA PRO A 19 -11.063 -3.230 -1.291 1.00 7.07 H new ATOM 0 HB2 PRO A 19 -13.184 -4.655 -0.305 1.00 7.61 H new ATOM 0 HB3 PRO A 19 -13.063 -2.929 -0.026 1.00 7.61 H new ATOM 0 HG2 PRO A 19 -14.704 -4.366 -2.195 1.00 8.16 H new ATOM 0 HG3 PRO A 19 -15.233 -3.086 -1.120 1.00 8.16 H new ATOM 0 HD2 PRO A 19 -14.342 -2.435 -3.613 1.00 7.49 H new ATOM 0 HD3 PRO A 19 -13.930 -1.402 -2.259 1.00 7.49 H new ATOM 316 N SER A 20 -11.596 -5.124 -3.613 1.00 6.80 N ATOM 317 CA SER A 20 -11.291 -6.303 -4.363 1.00 6.28 C ATOM 318 C SER A 20 -9.858 -6.257 -4.768 1.00 8.45 C ATOM 319 O SER A 20 -9.322 -7.313 -5.099 1.00 7.26 O ATOM 320 CB SER A 20 -12.131 -6.550 -5.628 1.00 8.57 C ATOM 321 OG SER A 20 -12.166 -5.314 -6.327 1.00 11.13 O ATOM 0 H SER A 20 -11.854 -4.351 -4.227 1.00 6.80 H new ATOM 0 HA SER A 20 -11.531 -7.125 -3.689 1.00 6.28 H new ATOM 0 HB2 SER A 20 -11.688 -7.333 -6.243 1.00 8.57 H new ATOM 0 HB3 SER A 20 -13.137 -6.880 -5.369 1.00 8.57 H new ATOM 0 HG SER A 20 -12.691 -5.417 -7.148 1.00 11.13 H new ATOM 327 N ASP A 21 -9.181 -5.097 -4.705 1.00 7.50 N ATOM 328 CA ASP A 21 -7.854 -5.028 -5.234 1.00 7.70 C ATOM 329 C ASP A 21 -6.818 -5.572 -4.312 1.00 7.08 C ATOM 330 O ASP A 21 -6.887 -5.431 -3.092 1.00 8.11 O ATOM 331 CB ASP A 21 -7.352 -3.588 -5.437 1.00 11.00 C ATOM 332 CG ASP A 21 -8.093 -3.203 -6.709 1.00 15.32 C ATOM 333 OD1 ASP A 21 -7.929 -3.910 -7.739 1.00 14.36 O ATOM 334 OD2 ASP A 21 -8.730 -2.119 -6.630 1.00 18.03 O ATOM 0 H ASP A 21 -9.538 -4.231 -4.301 1.00 7.50 H new ATOM 0 HA ASP A 21 -7.956 -5.593 -6.161 1.00 7.70 H new ATOM 0 HB2 ASP A 21 -7.607 -2.940 -4.598 1.00 11.00 H new ATOM 0 HB3 ASP A 21 -6.270 -3.541 -5.559 1.00 11.00 H new ATOM 339 N THR A 22 -5.795 -6.264 -4.846 1.00 5.37 N ATOM 340 CA THR A 22 -4.699 -6.776 -4.082 1.00 6.01 C ATOM 341 C THR A 22 -3.761 -5.689 -3.686 1.00 8.01 C ATOM 342 O THR A 22 -3.752 -4.612 -4.280 1.00 8.11 O ATOM 343 CB THR A 22 -3.955 -7.842 -4.830 1.00 8.92 C ATOM 344 OG1 THR A 22 -3.702 -7.339 -6.134 1.00 10.22 O ATOM 345 CG2 THR A 22 -4.903 -9.029 -5.069 1.00 9.65 C ATOM 0 H THR A 22 -5.728 -6.474 -5.842 1.00 5.37 H new ATOM 0 HA THR A 22 -5.122 -7.219 -3.180 1.00 6.01 H new ATOM 0 HB THR A 22 -3.058 -8.123 -4.278 1.00 8.92 H new ATOM 0 HG1 THR A 22 -3.214 -8.011 -6.655 1.00 10.22 H new ATOM 0 HG21 THR A 22 -4.375 -9.813 -5.613 1.00 9.65 H new ATOM 0 HG22 THR A 22 -5.246 -9.420 -4.111 1.00 9.65 H new ATOM 0 HG23 THR A 22 -5.761 -8.697 -5.653 1.00 9.65 H new ATOM 353 N ILE A 23 -2.931 -5.876 -2.644 1.00 8.32 N ATOM 354 CA ILE A 23 -1.868 -4.971 -2.335 1.00 9.92 C ATOM 355 C ILE A 23 -0.993 -4.609 -3.486 1.00 10.01 C ATOM 356 O ILE A 23 -0.598 -3.466 -3.711 1.00 8.71 O ATOM 357 CB ILE A 23 -1.088 -5.430 -1.139 1.00 10.78 C ATOM 358 CG1 ILE A 23 -1.944 -5.826 0.075 1.00 11.38 C ATOM 359 CG2 ILE A 23 -0.005 -4.405 -0.761 1.00 10.90 C ATOM 360 CD1 ILE A 23 -2.774 -4.688 0.669 1.00 12.30 C ATOM 0 H ILE A 23 -2.999 -6.669 -2.006 1.00 8.32 H new ATOM 0 HA ILE A 23 -2.358 -4.032 -2.078 1.00 9.92 H new ATOM 0 HB ILE A 23 -0.605 -6.357 -1.448 1.00 10.78 H new ATOM 0 HG12 ILE A 23 -2.616 -6.633 -0.219 1.00 11.38 H new ATOM 0 HG13 ILE A 23 -1.289 -6.223 0.850 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.546 -4.762 0.109 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.682 -4.276 -1.598 1.00 10.90 H new ATOM 0 HG23 ILE A 23 -0.474 -3.450 -0.526 1.00 10.90 H new ATOM 0 HD11 ILE A 23 -3.345 -5.060 1.520 1.00 12.30 H new ATOM 0 HD12 ILE A 23 -2.111 -3.888 0.998 1.00 12.30 H new ATOM 0 HD13 ILE A 23 -3.459 -4.304 -0.087 1.00 12.30 H new ATOM 372 N GLU A 24 -0.667 -5.602 -4.334 1.00 9.54 N ATOM 373 CA GLU A 24 -0.061 -5.415 -5.615 1.00 11.81 C ATOM 374 C GLU A 24 -0.687 -4.378 -6.483 1.00 11.14 C ATOM 375 O GLU A 24 0.094 -3.566 -6.976 1.00 10.62 O ATOM 376 CB GLU A 24 0.003 -6.767 -6.344 1.00 19.24 C ATOM 377 CG GLU A 24 0.586 -6.604 -7.749 1.00 27.76 C ATOM 378 CD GLU A 24 1.093 -7.949 -8.250 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.337 -8.953 -8.337 1.00 36.51 O ATOM 380 OE2 GLU A 24 2.334 -8.010 -8.458 1.00 34.80 O ATOM 0 H GLU A 24 -0.835 -6.584 -4.114 1.00 9.54 H new ATOM 0 HA GLU A 24 0.937 -5.024 -5.415 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.614 -7.465 -5.771 1.00 19.24 H new ATOM 0 HB3 GLU A 24 -0.996 -7.197 -6.409 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.174 -6.215 -8.426 1.00 27.76 H new ATOM 0 HG3 GLU A 24 1.400 -5.880 -7.734 1.00 27.76 H new ATOM 387 N ASN A 25 -2.007 -4.319 -6.735 1.00 9.43 N ATOM 388 CA ASN A 25 -2.619 -3.290 -7.517 1.00 10.96 C ATOM 389 C ASN A 25 -2.613 -1.933 -6.902 1.00 9.68 C ATOM 390 O ASN A 25 -2.634 -0.921 -7.600 1.00 9.33 O ATOM 391 CB ASN A 25 -4.088 -3.612 -7.839 1.00 16.78 C ATOM 392 CG ASN A 25 -4.282 -4.697 -8.888 1.00 22.31 C ATOM 393 OD1 ASN A 25 -4.915 -4.411 -9.903 1.00 25.66 O ATOM 394 ND2 ASN A 25 -3.984 -5.998 -8.624 1.00 24.70 N ATOM 0 H ASN A 25 -2.670 -5.010 -6.383 1.00 9.43 H new ATOM 0 HA ASN A 25 -1.996 -3.268 -8.411 1.00 10.96 H new ATOM 0 HB2 ASN A 25 -4.589 -3.919 -6.921 1.00 16.78 H new ATOM 0 HB3 ASN A 25 -4.580 -2.701 -8.182 1.00 16.78 H new ATOM 0 HD21 ASN A 25 -4.285 -6.731 -9.266 1.00 24.70 H new ATOM 0 HD22 ASN A 25 -3.459 -6.241 -7.784 1.00 24.70 H new ATOM 401 N VAL A 26 -2.638 -1.901 -5.558 1.00 6.52 N ATOM 402 CA VAL A 26 -2.574 -0.677 -4.821 1.00 5.53 C ATOM 403 C VAL A 26 -1.213 -0.073 -4.883 1.00 4.42 C ATOM 404 O VAL A 26 -1.051 1.118 -5.139 1.00 3.40 O ATOM 405 CB VAL A 26 -2.926 -0.806 -3.368 1.00 3.86 C ATOM 406 CG1 VAL A 26 -3.149 0.646 -2.911 1.00 7.25 C ATOM 407 CG2 VAL A 26 -4.314 -1.435 -3.164 1.00 8.12 C ATOM 0 H VAL A 26 -2.703 -2.735 -4.975 1.00 6.52 H new ATOM 0 HA VAL A 26 -3.320 -0.046 -5.305 1.00 5.53 H new ATOM 0 HB VAL A 26 -2.159 -1.391 -2.860 1.00 3.86 H new ATOM 0 HG11 VAL A 26 -3.413 0.658 -1.854 1.00 7.25 H new ATOM 0 HG12 VAL A 26 -2.235 1.220 -3.063 1.00 7.25 H new ATOM 0 HG13 VAL A 26 -3.957 1.090 -3.492 1.00 7.25 H new ATOM 0 HG21 VAL A 26 -4.527 -1.509 -2.098 1.00 8.12 H new ATOM 0 HG22 VAL A 26 -5.070 -0.812 -3.642 1.00 8.12 H new ATOM 0 HG23 VAL A 26 -4.331 -2.431 -3.607 1.00 8.12 H new ATOM 417 N LYS A 27 -0.130 -0.871 -4.853 1.00 2.64 N ATOM 418 CA LYS A 27 1.182 -0.460 -5.243 1.00 4.14 C ATOM 419 C LYS A 27 1.427 0.041 -6.625 1.00 5.58 C ATOM 420 O LYS A 27 2.185 0.968 -6.906 1.00 4.11 O ATOM 421 CB LYS A 27 2.197 -1.613 -5.171 1.00 3.97 C ATOM 422 CG LYS A 27 2.594 -2.109 -3.778 1.00 7.45 C ATOM 423 CD LYS A 27 3.795 -3.047 -3.652 1.00 9.02 C ATOM 424 CE LYS A 27 3.719 -3.848 -2.351 1.00 12.90 C ATOM 425 NZ LYS A 27 5.028 -4.465 -2.043 1.00 15.47 N ATOM 0 H LYS A 27 -0.171 -1.842 -4.544 1.00 2.64 H new ATOM 0 HA LYS A 27 1.291 0.360 -4.533 1.00 4.14 H new ATOM 0 HB2 LYS A 27 1.789 -2.457 -5.727 1.00 3.97 H new ATOM 0 HB3 LYS A 27 3.103 -1.298 -5.689 1.00 3.97 H new ATOM 0 HG2 LYS A 27 2.790 -1.234 -3.158 1.00 7.45 H new ATOM 0 HG3 LYS A 27 1.730 -2.617 -3.348 1.00 7.45 H new ATOM 0 HD2 LYS A 27 3.823 -3.727 -4.503 1.00 9.02 H new ATOM 0 HD3 LYS A 27 4.719 -2.469 -3.676 1.00 9.02 H new ATOM 0 HE2 LYS A 27 3.417 -3.195 -1.532 1.00 12.90 H new ATOM 0 HE3 LYS A 27 2.957 -4.623 -2.438 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 4.906 -5.186 -1.304 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 5.412 -4.910 -2.901 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 5.686 -3.733 -1.708 1.00 15.47 H new ATOM 439 N ALA A 28 0.719 -0.521 -7.621 1.00 6.61 N ATOM 440 CA ALA A 28 0.833 -0.210 -9.012 1.00 7.74 C ATOM 441 C ALA A 28 0.221 1.115 -9.312 1.00 9.17 C ATOM 442 O ALA A 28 0.854 1.890 -10.028 1.00 11.45 O ATOM 443 CB ALA A 28 0.054 -1.271 -9.806 1.00 7.68 C ATOM 0 H ALA A 28 0.020 -1.241 -7.441 1.00 6.61 H new ATOM 0 HA ALA A 28 1.889 -0.190 -9.282 1.00 7.74 H new ATOM 0 HB1 ALA A 28 0.127 -1.054 -10.872 1.00 7.68 H new ATOM 0 HB2 ALA A 28 0.475 -2.256 -9.607 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.993 -1.256 -9.503 1.00 7.68 H new ATOM 449 N LYS A 29 -0.900 1.471 -8.660 1.00 8.96 N ATOM 450 CA LYS A 29 -1.417 2.793 -8.489 1.00 7.90 C ATOM 451 C LYS A 29 -0.481 3.805 -7.923 1.00 6.92 C ATOM 452 O LYS A 29 -0.237 4.867 -8.495 1.00 6.87 O ATOM 453 CB LYS A 29 -2.632 2.901 -7.553 1.00 10.28 C ATOM 454 CG LYS A 29 -3.938 2.319 -8.097 1.00 14.94 C ATOM 455 CD LYS A 29 -4.492 2.860 -9.417 1.00 19.69 C ATOM 456 CE LYS A 29 -5.836 2.239 -9.802 1.00 22.63 C ATOM 457 NZ LYS A 29 -6.926 2.432 -8.819 1.00 24.98 N ATOM 0 H LYS A 29 -1.495 0.772 -8.215 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.656 3.003 -9.531 1.00 7.90 H new ATOM 0 HB2 LYS A 29 -2.393 2.397 -6.616 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -2.794 3.953 -7.317 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -3.797 1.244 -8.214 1.00 14.94 H new ATOM 0 HG3 LYS A 29 -4.705 2.459 -7.335 1.00 14.94 H new ATOM 0 HD2 LYS A 29 -4.607 3.941 -9.340 1.00 19.69 H new ATOM 0 HD3 LYS A 29 -3.770 2.672 -10.212 1.00 19.69 H new ATOM 0 HE2 LYS A 29 -6.152 2.659 -10.757 1.00 22.63 H new ATOM 0 HE3 LYS A 29 -5.693 1.169 -9.956 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 -7.771 2.794 -9.305 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 -7.150 1.523 -8.366 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 -6.624 3.115 -8.095 1.00 24.98 H new ATOM 471 N ILE A 30 0.294 3.520 -6.862 1.00 4.57 N ATOM 472 CA ILE A 30 1.231 4.416 -6.259 1.00 5.58 C ATOM 473 C ILE A 30 2.382 4.597 -7.188 1.00 7.26 C ATOM 474 O ILE A 30 2.696 5.719 -7.581 1.00 9.46 O ATOM 475 CB ILE A 30 1.700 3.821 -4.964 1.00 5.36 C ATOM 476 CG1 ILE A 30 0.599 3.846 -3.891 1.00 2.94 C ATOM 477 CG2 ILE A 30 3.002 4.474 -4.469 1.00 2.78 C ATOM 478 CD1 ILE A 30 1.043 3.174 -2.592 1.00 2.00 C ATOM 0 H ILE A 30 0.265 2.612 -6.399 1.00 4.57 H new ATOM 0 HA ILE A 30 0.770 5.384 -6.064 1.00 5.58 H new ATOM 0 HB ILE A 30 1.928 2.773 -5.160 1.00 5.36 H new ATOM 0 HG12 ILE A 30 0.317 4.879 -3.686 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -0.290 3.343 -4.273 1.00 2.94 H new ATOM 0 HG21 ILE A 30 3.306 4.013 -3.529 1.00 2.78 H new ATOM 0 HG22 ILE A 30 3.786 4.332 -5.213 1.00 2.78 H new ATOM 0 HG23 ILE A 30 2.838 5.540 -4.314 1.00 2.78 H new ATOM 0 HD11 ILE A 30 0.232 3.217 -1.865 1.00 2.00 H new ATOM 0 HD12 ILE A 30 1.299 2.133 -2.790 1.00 2.00 H new ATOM 0 HD13 ILE A 30 1.915 3.693 -2.194 1.00 2.00 H new ATOM 490 N GLN A 31 2.954 3.509 -7.735 1.00 7.06 N ATOM 491 CA GLN A 31 3.916 3.525 -8.794 1.00 8.67 C ATOM 492 C GLN A 31 3.563 4.348 -9.985 1.00 10.90 C ATOM 493 O GLN A 31 4.373 5.183 -10.384 1.00 9.63 O ATOM 494 CB GLN A 31 4.229 2.103 -9.288 1.00 9.12 C ATOM 495 CG GLN A 31 5.500 1.879 -10.108 1.00 10.76 C ATOM 496 CD GLN A 31 5.422 0.537 -10.823 1.00 13.78 C ATOM 497 OE1 GLN A 31 4.503 -0.280 -10.809 1.00 14.48 O ATOM 498 NE2 GLN A 31 6.587 0.225 -11.451 1.00 14.76 N ATOM 0 H GLN A 31 2.732 2.565 -7.420 1.00 7.06 H new ATOM 0 HA GLN A 31 4.781 3.996 -8.327 1.00 8.67 H new ATOM 0 HB2 GLN A 31 4.279 1.452 -8.415 1.00 9.12 H new ATOM 0 HB3 GLN A 31 3.384 1.767 -9.888 1.00 9.12 H new ATOM 0 HG2 GLN A 31 5.621 2.682 -10.835 1.00 10.76 H new ATOM 0 HG3 GLN A 31 6.373 1.904 -9.456 1.00 10.76 H new ATOM 0 HE21 GLN A 31 7.354 0.897 -11.467 1.00 14.76 H new ATOM 0 HE22 GLN A 31 6.694 -0.681 -11.906 1.00 14.76 H new ATOM 507 N ASP A 32 2.367 4.207 -10.583 1.00 10.93 N ATOM 508 CA ASP A 32 1.897 5.035 -11.650 1.00 14.01 C ATOM 509 C ASP A 32 1.916 6.500 -11.382 1.00 14.04 C ATOM 510 O ASP A 32 2.288 7.313 -12.226 1.00 13.39 O ATOM 511 CB ASP A 32 0.464 4.594 -11.992 1.00 18.01 C ATOM 512 CG ASP A 32 -0.101 4.967 -13.355 1.00 24.33 C ATOM 513 OD1 ASP A 32 0.612 4.689 -14.357 1.00 25.17 O ATOM 514 OD2 ASP A 32 -1.221 5.544 -13.330 1.00 26.29 O ATOM 0 H ASP A 32 1.699 3.485 -10.312 1.00 10.93 H new ATOM 0 HA ASP A 32 2.592 4.896 -12.478 1.00 14.01 H new ATOM 0 HB2 ASP A 32 0.419 3.509 -11.900 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -0.201 5.006 -11.233 1.00 18.01 H new ATOM 519 N LYS A 33 1.359 6.849 -10.208 1.00 14.22 N ATOM 520 CA LYS A 33 1.293 8.220 -9.807 1.00 14.00 C ATOM 521 C LYS A 33 2.627 8.817 -9.515 1.00 12.37 C ATOM 522 O LYS A 33 2.932 9.849 -10.110 1.00 12.17 O ATOM 523 CB LYS A 33 0.263 8.344 -8.672 1.00 18.62 C ATOM 524 CG LYS A 33 -0.113 9.780 -8.300 1.00 24.00 C ATOM 525 CD LYS A 33 -0.981 10.618 -9.242 1.00 27.61 C ATOM 526 CE LYS A 33 -1.325 12.053 -8.839 1.00 27.64 C ATOM 527 NZ LYS A 33 -2.083 12.824 -9.850 1.00 30.06 N ATOM 0 H LYS A 33 0.958 6.189 -9.542 1.00 14.22 H new ATOM 0 HA LYS A 33 0.947 8.830 -10.641 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -0.642 7.810 -8.962 1.00 18.62 H new ATOM 0 HB3 LYS A 33 0.657 7.846 -7.786 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -0.625 9.741 -7.338 1.00 24.00 H new ATOM 0 HG3 LYS A 33 0.817 10.327 -8.145 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -0.478 10.657 -10.208 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -1.919 10.083 -9.392 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.904 12.026 -7.916 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.399 12.584 -8.619 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -2.269 13.781 -9.489 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.527 12.887 -10.727 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -2.986 12.346 -10.046 1.00 30.06 H new ATOM 541 N GLU A 34 3.416 8.259 -8.579 1.00 10.11 N ATOM 542 CA GLU A 34 4.533 8.834 -7.896 1.00 10.07 C ATOM 543 C GLU A 34 5.834 8.483 -8.534 1.00 9.32 C ATOM 544 O GLU A 34 6.790 9.256 -8.566 1.00 11.61 O ATOM 545 CB GLU A 34 4.563 8.391 -6.424 1.00 14.77 C ATOM 546 CG GLU A 34 3.367 8.832 -5.577 1.00 18.75 C ATOM 547 CD GLU A 34 3.192 10.340 -5.681 1.00 22.28 C ATOM 548 OE1 GLU A 34 4.152 11.067 -5.309 1.00 21.95 O ATOM 549 OE2 GLU A 34 2.066 10.802 -6.006 1.00 25.19 O ATOM 0 H GLU A 34 3.250 7.301 -8.270 1.00 10.11 H new ATOM 0 HA GLU A 34 4.403 9.915 -7.957 1.00 10.07 H new ATOM 0 HB2 GLU A 34 4.627 7.303 -6.392 1.00 14.77 H new ATOM 0 HB3 GLU A 34 5.473 8.778 -5.965 1.00 14.77 H new ATOM 0 HG2 GLU A 34 2.463 8.327 -5.917 1.00 18.75 H new ATOM 0 HG3 GLU A 34 3.520 8.545 -4.537 1.00 18.75 H new ATOM 556 N GLY A 35 5.954 7.246 -9.047 1.00 7.22 N ATOM 557 CA GLY A 35 7.123 6.700 -9.664 1.00 6.29 C ATOM 558 C GLY A 35 7.936 5.762 -8.839 1.00 6.93 C ATOM 559 O GLY A 35 9.029 5.424 -9.293 1.00 7.41 O ATOM 0 H GLY A 35 5.180 6.582 -9.029 1.00 7.22 H new ATOM 0 HA2 GLY A 35 6.818 6.179 -10.571 1.00 6.29 H new ATOM 0 HA3 GLY A 35 7.764 7.526 -9.971 1.00 6.29 H new ATOM 563 N ILE A 36 7.538 5.476 -7.587 1.00 5.86 N ATOM 564 CA ILE A 36 8.155 4.613 -6.628 1.00 6.07 C ATOM 565 C ILE A 36 7.943 3.201 -7.054 1.00 6.36 C ATOM 566 O ILE A 36 6.767 2.876 -7.213 1.00 6.18 O ATOM 567 CB ILE A 36 7.616 4.845 -5.247 1.00 7.47 C ATOM 568 CG1 ILE A 36 7.437 6.325 -4.869 1.00 8.52 C ATOM 569 CG2 ILE A 36 8.469 4.018 -4.271 1.00 7.36 C ATOM 570 CD1 ILE A 36 6.565 6.580 -3.640 1.00 9.49 C ATOM 0 H ILE A 36 6.690 5.898 -7.208 1.00 5.86 H new ATOM 0 HA ILE A 36 9.222 4.830 -6.587 1.00 6.07 H new ATOM 0 HB ILE A 36 6.585 4.496 -5.196 1.00 7.47 H new ATOM 0 HG12 ILE A 36 8.421 6.761 -4.694 1.00 8.52 H new ATOM 0 HG13 ILE A 36 7.002 6.851 -5.719 1.00 8.52 H new ATOM 0 HG21 ILE A 36 8.103 4.164 -3.255 1.00 7.36 H new ATOM 0 HG22 ILE A 36 8.401 2.962 -4.533 1.00 7.36 H new ATOM 0 HG23 ILE A 36 9.508 4.341 -4.332 1.00 7.36 H new ATOM 0 HD11 ILE A 36 6.500 7.652 -3.456 1.00 9.49 H new ATOM 0 HD12 ILE A 36 5.566 6.181 -3.814 1.00 9.49 H new ATOM 0 HD13 ILE A 36 7.006 6.089 -2.773 1.00 9.49 H new ATOM 582 N PRO A 37 8.836 2.278 -7.254 1.00 8.65 N ATOM 583 CA PRO A 37 8.586 0.936 -7.693 1.00 9.18 C ATOM 584 C PRO A 37 8.269 -0.058 -6.629 1.00 9.85 C ATOM 585 O PRO A 37 8.469 0.173 -5.437 1.00 8.51 O ATOM 586 CB PRO A 37 9.941 0.591 -8.308 1.00 11.42 C ATOM 587 CG PRO A 37 10.982 1.279 -7.411 1.00 9.27 C ATOM 588 CD PRO A 37 10.246 2.582 -7.061 1.00 8.33 C ATOM 0 HA PRO A 37 7.705 0.891 -8.334 1.00 9.18 H new ATOM 0 HB2 PRO A 37 10.097 -0.487 -8.335 1.00 11.42 H new ATOM 0 HB3 PRO A 37 10.009 0.949 -9.335 1.00 11.42 H new ATOM 0 HG2 PRO A 37 11.220 0.688 -6.526 1.00 9.27 H new ATOM 0 HG3 PRO A 37 11.921 1.462 -7.934 1.00 9.27 H new ATOM 0 HD2 PRO A 37 10.448 2.886 -6.034 1.00 8.33 H new ATOM 0 HD3 PRO A 37 10.565 3.402 -7.705 1.00 8.33 H new ATOM 596 N PRO A 38 7.669 -1.174 -6.921 1.00 8.71 N ATOM 597 CA PRO A 38 7.000 -1.994 -5.953 1.00 9.08 C ATOM 598 C PRO A 38 7.922 -2.772 -5.078 1.00 9.28 C ATOM 599 O PRO A 38 7.444 -3.195 -4.026 1.00 6.50 O ATOM 600 CB PRO A 38 6.173 -2.976 -6.780 1.00 10.31 C ATOM 601 CG PRO A 38 6.925 -3.169 -8.106 1.00 10.81 C ATOM 602 CD PRO A 38 7.563 -1.777 -8.240 1.00 12.00 C ATOM 0 HA PRO A 38 6.420 -1.361 -5.282 1.00 9.08 H new ATOM 0 HB2 PRO A 38 6.060 -3.925 -6.256 1.00 10.31 H new ATOM 0 HB3 PRO A 38 5.170 -2.587 -6.956 1.00 10.31 H new ATOM 0 HG2 PRO A 38 7.666 -3.967 -8.055 1.00 10.81 H new ATOM 0 HG3 PRO A 38 6.258 -3.406 -8.935 1.00 10.81 H new ATOM 0 HD2 PRO A 38 8.549 -1.858 -8.697 1.00 12.00 H new ATOM 0 HD3 PRO A 38 6.959 -1.148 -8.894 1.00 12.00 H new ATOM 610 N ASP A 39 9.247 -2.797 -5.308 1.00 11.20 N ATOM 611 CA ASP A 39 10.308 -3.463 -4.618 1.00 14.96 C ATOM 612 C ASP A 39 10.567 -2.675 -3.380 1.00 13.99 C ATOM 613 O ASP A 39 10.367 -3.172 -2.273 1.00 13.75 O ATOM 614 CB ASP A 39 11.580 -3.748 -5.433 1.00 24.16 C ATOM 615 CG ASP A 39 11.928 -2.539 -6.290 1.00 31.06 C ATOM 616 OD1 ASP A 39 11.289 -2.335 -7.357 1.00 34.22 O ATOM 617 OD2 ASP A 39 12.881 -1.806 -5.913 1.00 35.55 O ATOM 0 H ASP A 39 9.623 -2.270 -6.096 1.00 11.20 H new ATOM 0 HA ASP A 39 9.983 -4.478 -4.390 1.00 14.96 H new ATOM 0 HB2 ASP A 39 12.408 -3.980 -4.763 1.00 24.16 H new ATOM 0 HB3 ASP A 39 11.428 -4.622 -6.066 1.00 24.16 H new ATOM 622 N GLN A 40 10.878 -1.378 -3.551 1.00 11.60 N ATOM 623 CA GLN A 40 10.940 -0.400 -2.509 1.00 10.76 C ATOM 624 C GLN A 40 9.703 -0.217 -1.699 1.00 8.01 C ATOM 625 O GLN A 40 9.717 -0.090 -0.476 1.00 8.96 O ATOM 626 CB GLN A 40 11.352 0.963 -3.089 1.00 11.14 C ATOM 627 CG GLN A 40 12.784 0.869 -3.620 1.00 14.85 C ATOM 628 CD GLN A 40 13.216 2.190 -4.241 1.00 16.11 C ATOM 629 OE1 GLN A 40 13.876 2.281 -5.275 1.00 20.52 O ATOM 630 NE2 GLN A 40 12.726 3.347 -3.720 1.00 18.16 N ATOM 0 H GLN A 40 11.099 -0.990 -4.468 1.00 11.60 H new ATOM 0 HA GLN A 40 11.683 -0.800 -1.819 1.00 10.76 H new ATOM 0 HB2 GLN A 40 10.672 1.252 -3.890 1.00 11.14 H new ATOM 0 HB3 GLN A 40 11.285 1.734 -2.321 1.00 11.14 H new ATOM 0 HG2 GLN A 40 13.461 0.604 -2.808 1.00 14.85 H new ATOM 0 HG3 GLN A 40 12.850 0.074 -4.362 1.00 14.85 H new ATOM 0 HE21 GLN A 40 12.172 3.326 -2.864 1.00 18.16 H new ATOM 0 HE22 GLN A 40 12.912 4.235 -4.186 1.00 18.16 H new ATOM 639 N GLN A 41 8.511 -0.130 -2.317 1.00 6.52 N ATOM 640 CA GLN A 41 7.307 -0.052 -1.549 1.00 3.87 C ATOM 641 C GLN A 41 6.996 -1.215 -0.671 1.00 4.79 C ATOM 642 O GLN A 41 6.690 -2.307 -1.147 1.00 6.34 O ATOM 643 CB GLN A 41 6.102 0.135 -2.486 1.00 4.20 C ATOM 644 CG GLN A 41 6.073 1.322 -3.451 1.00 3.20 C ATOM 645 CD GLN A 41 4.794 1.177 -4.262 1.00 4.89 C ATOM 646 OE1 GLN A 41 3.713 0.983 -3.709 1.00 5.21 O ATOM 647 NE2 GLN A 41 4.809 1.439 -5.597 1.00 7.13 N ATOM 0 H GLN A 41 8.381 -0.114 -3.329 1.00 6.52 H new ATOM 0 HA GLN A 41 7.486 0.796 -0.887 1.00 3.87 H new ATOM 0 HB2 GLN A 41 6.008 -0.773 -3.082 1.00 4.20 H new ATOM 0 HB3 GLN A 41 5.211 0.200 -1.862 1.00 4.20 H new ATOM 0 HG2 GLN A 41 6.084 2.267 -2.907 1.00 3.20 H new ATOM 0 HG3 GLN A 41 6.949 1.318 -4.100 1.00 3.20 H new ATOM 0 HE21 GLN A 41 5.695 1.603 -6.075 1.00 7.13 H new ATOM 0 HE22 GLN A 41 3.934 1.472 -6.120 1.00 7.13 H new ATOM 656 N ARG A 42 7.087 -1.007 0.655 1.00 5.73 N ATOM 657 CA ARG A 42 6.491 -1.907 1.593 1.00 6.97 C ATOM 658 C ARG A 42 5.341 -1.197 2.220 1.00 7.15 C ATOM 659 O ARG A 42 5.423 -0.058 2.678 1.00 7.33 O ATOM 660 CB ARG A 42 7.507 -2.412 2.631 1.00 13.23 C ATOM 661 CG ARG A 42 6.884 -3.354 3.663 1.00 21.27 C ATOM 662 CD ARG A 42 7.750 -4.435 4.314 1.00 26.14 C ATOM 663 NE ARG A 42 7.805 -5.580 3.362 1.00 32.26 N ATOM 664 CZ ARG A 42 8.462 -6.743 3.645 1.00 34.32 C ATOM 665 NH1 ARG A 42 8.927 -7.128 4.869 1.00 35.30 N ATOM 666 NH2 ARG A 42 8.703 -7.579 2.594 1.00 36.39 N ATOM 0 H ARG A 42 7.573 -0.216 1.077 1.00 5.73 H new ATOM 0 HA ARG A 42 6.138 -2.805 1.085 1.00 6.97 H new ATOM 0 HB2 ARG A 42 8.318 -2.929 2.117 1.00 13.23 H new ATOM 0 HB3 ARG A 42 7.949 -1.558 3.145 1.00 13.23 H new ATOM 0 HG2 ARG A 42 6.474 -2.737 4.463 1.00 21.27 H new ATOM 0 HG3 ARG A 42 6.043 -3.854 3.183 1.00 21.27 H new ATOM 0 HD2 ARG A 42 8.751 -4.056 4.519 1.00 26.14 H new ATOM 0 HD3 ARG A 42 7.325 -4.747 5.268 1.00 26.14 H new ATOM 0 HE ARG A 42 7.333 -5.491 2.462 1.00 32.26 H new ATOM 0 HH11 ARG A 42 8.794 -6.522 5.679 1.00 35.30 H new ATOM 0 HH12 ARG A 42 9.407 -8.022 4.974 1.00 35.30 H new ATOM 0 HH21 ARG A 42 8.396 -7.321 1.656 1.00 36.39 H new ATOM 0 HH22 ARG A 42 9.190 -8.462 2.746 1.00 36.39 H new ATOM 680 N LEU A 43 4.179 -1.874 2.244 1.00 4.65 N ATOM 681 CA LEU A 43 2.999 -1.307 2.819 1.00 3.51 C ATOM 682 C LEU A 43 2.712 -2.077 4.062 1.00 5.56 C ATOM 683 O LEU A 43 2.753 -3.303 4.154 1.00 4.19 O ATOM 684 CB LEU A 43 1.748 -1.441 1.934 1.00 3.74 C ATOM 685 CG LEU A 43 1.583 -0.370 0.843 1.00 6.32 C ATOM 686 CD1 LEU A 43 0.487 -0.664 -0.194 1.00 6.41 C ATOM 687 CD2 LEU A 43 1.262 1.082 1.235 1.00 9.55 C ATOM 0 H LEU A 43 4.057 -2.813 1.866 1.00 4.65 H new ATOM 0 HA LEU A 43 3.191 -0.245 2.971 1.00 3.51 H new ATOM 0 HB2 LEU A 43 1.768 -2.420 1.456 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.867 -1.417 2.576 1.00 3.74 H new ATOM 0 HG LEU A 43 2.608 -0.441 0.478 1.00 6.32 H new ATOM 0 HD11 LEU A 43 0.447 0.147 -0.921 1.00 6.41 H new ATOM 0 HD12 LEU A 43 0.712 -1.599 -0.706 1.00 6.41 H new ATOM 0 HD13 LEU A 43 -0.476 -0.749 0.309 1.00 6.41 H new ATOM 0 HD21 LEU A 43 1.182 1.693 0.336 1.00 9.55 H new ATOM 0 HD22 LEU A 43 0.318 1.112 1.779 1.00 9.55 H new ATOM 0 HD23 LEU A 43 2.058 1.472 1.869 1.00 9.55 H new ATOM 699 N ILE A 44 2.515 -1.379 5.195 1.00 4.58 N ATOM 700 CA ILE A 44 2.101 -1.894 6.463 1.00 5.55 C ATOM 701 C ILE A 44 0.820 -1.183 6.736 1.00 5.46 C ATOM 702 O ILE A 44 0.504 -0.076 6.302 1.00 6.04 O ATOM 703 CB ILE A 44 3.144 -1.585 7.496 1.00 6.80 C ATOM 704 CG1 ILE A 44 4.541 -2.140 7.173 1.00 10.31 C ATOM 705 CG2 ILE A 44 2.729 -2.081 8.892 1.00 7.39 C ATOM 706 CD1 ILE A 44 4.705 -3.627 6.861 1.00 13.90 C ATOM 0 H ILE A 44 2.658 -0.369 5.224 1.00 4.58 H new ATOM 0 HA ILE A 44 1.971 -2.976 6.479 1.00 5.55 H new ATOM 0 HB ILE A 44 3.213 -0.497 7.485 1.00 6.80 H new ATOM 0 HG12 ILE A 44 4.925 -1.582 6.319 1.00 10.31 H new ATOM 0 HG13 ILE A 44 5.188 -1.910 8.020 1.00 10.31 H new ATOM 0 HG21 ILE A 44 3.511 -1.838 9.612 1.00 7.39 H new ATOM 0 HG22 ILE A 44 1.799 -1.596 9.189 1.00 7.39 H new ATOM 0 HG23 ILE A 44 2.583 -3.161 8.866 1.00 7.39 H new ATOM 0 HD11 ILE A 44 5.754 -3.842 6.657 1.00 13.90 H new ATOM 0 HD12 ILE A 44 4.373 -4.217 7.715 1.00 13.90 H new ATOM 0 HD13 ILE A 44 4.106 -3.884 5.988 1.00 13.90 H new ATOM 718 N PHE A 45 -0.049 -1.843 7.523 1.00 6.75 N ATOM 719 CA PHE A 45 -1.143 -1.210 8.193 1.00 4.70 C ATOM 720 C PHE A 45 -0.639 -0.925 9.566 1.00 6.34 C ATOM 721 O PHE A 45 -0.340 0.204 9.951 1.00 5.45 O ATOM 722 CB PHE A 45 -2.445 -2.022 8.089 1.00 5.51 C ATOM 723 CG PHE A 45 -3.705 -1.243 8.245 1.00 5.98 C ATOM 724 CD1 PHE A 45 -3.922 -0.119 7.484 1.00 6.86 C ATOM 725 CD2 PHE A 45 -4.584 -1.541 9.260 1.00 5.87 C ATOM 726 CE1 PHE A 45 -4.999 0.713 7.683 1.00 6.68 C ATOM 727 CE2 PHE A 45 -5.690 -0.741 9.421 1.00 6.64 C ATOM 728 CZ PHE A 45 -5.869 0.421 8.707 1.00 6.84 C ATOM 0 H PHE A 45 0.011 -2.846 7.698 1.00 6.75 H new ATOM 0 HA PHE A 45 -1.451 -0.273 7.729 1.00 4.70 H new ATOM 0 HB2 PHE A 45 -2.465 -2.520 7.120 1.00 5.51 H new ATOM 0 HB3 PHE A 45 -2.426 -2.804 8.849 1.00 5.51 H new ATOM 0 HD1 PHE A 45 -3.219 0.120 6.699 1.00 6.86 H new ATOM 0 HD2 PHE A 45 -4.410 -2.382 9.914 1.00 5.87 H new ATOM 0 HE1 PHE A 45 -5.157 1.574 7.051 1.00 6.68 H new ATOM 0 HE2 PHE A 45 -6.446 -1.035 10.134 1.00 6.64 H new ATOM 0 HZ PHE A 45 -6.680 1.093 8.947 1.00 6.84 H new ATOM 738 N ALA A 46 -0.383 -1.986 10.352 1.00 6.53 N ATOM 739 CA ALA A 46 0.223 -1.901 11.644 1.00 7.15 C ATOM 740 C ALA A 46 0.828 -3.245 11.861 1.00 9.00 C ATOM 741 O ALA A 46 0.168 -4.245 11.584 1.00 11.15 O ATOM 742 CB ALA A 46 -0.930 -1.776 12.654 1.00 8.99 C ATOM 0 H ALA A 46 -0.607 -2.942 10.076 1.00 6.53 H new ATOM 0 HA ALA A 46 0.937 -1.082 11.738 1.00 7.15 H new ATOM 0 HB1 ALA A 46 -0.524 -1.707 13.663 1.00 8.99 H new ATOM 0 HB2 ALA A 46 -1.510 -0.880 12.435 1.00 8.99 H new ATOM 0 HB3 ALA A 46 -1.574 -2.652 12.581 1.00 8.99 H new ATOM 748 N GLY A 47 2.108 -3.329 12.266 1.00 9.35 N ATOM 749 CA GLY A 47 2.646 -4.431 13.001 1.00 11.68 C ATOM 750 C GLY A 47 3.396 -5.391 12.143 1.00 11.14 C ATOM 751 O GLY A 47 4.509 -5.735 12.536 1.00 13.93 O ATOM 0 H GLY A 47 2.795 -2.600 12.074 1.00 9.35 H new ATOM 0 HA2 GLY A 47 3.309 -4.053 13.779 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.834 -4.958 13.502 1.00 11.68 H new ATOM 755 N LYS A 48 2.869 -5.882 11.007 1.00 10.47 N ATOM 756 CA LYS A 48 3.549 -6.920 10.296 1.00 8.82 C ATOM 757 C LYS A 48 3.319 -6.688 8.842 1.00 7.68 C ATOM 758 O LYS A 48 2.489 -5.878 8.433 1.00 6.47 O ATOM 759 CB LYS A 48 3.050 -8.285 10.799 1.00 9.74 C ATOM 760 CG LYS A 48 1.674 -8.754 10.323 1.00 14.14 C ATOM 761 CD LYS A 48 1.339 -10.077 11.015 1.00 16.32 C ATOM 762 CE LYS A 48 0.335 -10.894 10.200 1.00 20.04 C ATOM 763 NZ LYS A 48 -0.140 -12.147 10.828 1.00 23.92 N ATOM 0 H LYS A 48 1.993 -5.570 10.588 1.00 10.47 H new ATOM 0 HA LYS A 48 4.626 -6.913 10.467 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.781 -9.039 10.507 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.038 -8.258 11.889 1.00 9.74 H new ATOM 0 HG2 LYS A 48 0.918 -8.004 10.556 1.00 14.14 H new ATOM 0 HG3 LYS A 48 1.672 -8.883 9.241 1.00 14.14 H new ATOM 0 HD2 LYS A 48 2.251 -10.656 11.157 1.00 16.32 H new ATOM 0 HD3 LYS A 48 0.930 -9.878 12.005 1.00 16.32 H new ATOM 0 HE2 LYS A 48 -0.530 -10.265 9.990 1.00 20.04 H new ATOM 0 HE3 LYS A 48 0.790 -11.141 9.241 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 -0.814 -12.620 10.193 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 0.670 -12.776 11.004 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 -0.610 -11.927 11.729 1.00 23.92 H new ATOM 777 N GLN A 49 3.986 -7.449 7.956 1.00 8.89 N ATOM 778 CA GLN A 49 3.869 -7.209 6.551 1.00 7.18 C ATOM 779 C GLN A 49 2.687 -7.830 5.889 1.00 8.23 C ATOM 780 O GLN A 49 2.245 -8.941 6.175 1.00 9.70 O ATOM 781 CB GLN A 49 5.215 -7.445 5.844 1.00 11.67 C ATOM 782 CG GLN A 49 5.688 -8.891 5.685 1.00 15.82 C ATOM 783 CD GLN A 49 6.326 -9.485 6.932 1.00 20.21 C ATOM 784 OE1 GLN A 49 5.771 -9.718 8.005 1.00 23.23 O ATOM 785 NE2 GLN A 49 7.574 -9.994 6.750 1.00 20.67 N ATOM 0 H GLN A 49 4.600 -8.223 8.209 1.00 8.89 H new ATOM 0 HA GLN A 49 3.634 -6.151 6.438 1.00 7.18 H new ATOM 0 HB2 GLN A 49 5.155 -7.000 4.851 1.00 11.67 H new ATOM 0 HB3 GLN A 49 5.983 -6.899 6.392 1.00 11.67 H new ATOM 0 HG2 GLN A 49 4.837 -9.509 5.397 1.00 15.82 H new ATOM 0 HG3 GLN A 49 6.407 -8.937 4.867 1.00 15.82 H new ATOM 0 HE21 GLN A 49 8.071 -9.825 5.875 1.00 20.67 H new ATOM 0 HE22 GLN A 49 8.013 -10.544 7.488 1.00 20.67 H new ATOM 794 N LEU A 50 1.978 -7.084 5.024 1.00 6.51 N ATOM 795 CA LEU A 50 0.876 -7.579 4.258 1.00 7.41 C ATOM 796 C LEU A 50 1.328 -8.393 3.095 1.00 8.27 C ATOM 797 O LEU A 50 2.432 -8.295 2.561 1.00 8.34 O ATOM 798 CB LEU A 50 0.107 -6.361 3.720 1.00 7.13 C ATOM 799 CG LEU A 50 -0.212 -5.241 4.725 1.00 7.53 C ATOM 800 CD1 LEU A 50 -1.049 -4.086 4.150 1.00 9.11 C ATOM 801 CD2 LEU A 50 -0.950 -5.865 5.921 1.00 8.14 C ATOM 0 H LEU A 50 2.179 -6.099 4.851 1.00 6.51 H new ATOM 0 HA LEU A 50 0.261 -8.214 4.896 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.684 -5.929 2.902 1.00 7.13 H new ATOM 0 HB3 LEU A 50 -0.833 -6.714 3.295 1.00 7.13 H new ATOM 0 HG LEU A 50 0.739 -4.795 5.015 1.00 7.53 H new ATOM 0 HD11 LEU A 50 -1.226 -3.343 4.927 1.00 9.11 H new ATOM 0 HD12 LEU A 50 -0.511 -3.624 3.322 1.00 9.11 H new ATOM 0 HD13 LEU A 50 -2.004 -4.471 3.793 1.00 9.11 H new ATOM 0 HD21 LEU A 50 -1.187 -5.088 6.648 1.00 8.14 H new ATOM 0 HD22 LEU A 50 -1.872 -6.332 5.576 1.00 8.14 H new ATOM 0 HD23 LEU A 50 -0.315 -6.618 6.388 1.00 8.14 H new ATOM 813 N GLU A 51 0.502 -9.362 2.661 1.00 9.43 N ATOM 814 CA GLU A 51 0.797 -10.142 1.500 1.00 11.90 C ATOM 815 C GLU A 51 0.472 -9.407 0.245 1.00 11.49 C ATOM 816 O GLU A 51 -0.411 -8.551 0.280 1.00 9.88 O ATOM 817 CB GLU A 51 0.134 -11.529 1.552 1.00 16.56 C ATOM 818 CG GLU A 51 0.549 -12.340 2.781 1.00 26.06 C ATOM 819 CD GLU A 51 -0.321 -13.561 3.041 1.00 29.86 C ATOM 820 OE1 GLU A 51 -0.723 -14.251 2.067 1.00 32.13 O ATOM 821 OE2 GLU A 51 -0.574 -13.804 4.251 1.00 33.44 O ATOM 0 H GLU A 51 -0.376 -9.606 3.118 1.00 9.43 H new ATOM 0 HA GLU A 51 1.873 -10.315 1.495 1.00 11.90 H new ATOM 0 HB2 GLU A 51 -0.949 -11.409 1.551 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.394 -12.085 0.651 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.583 -12.663 2.658 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.519 -11.693 3.657 1.00 26.06 H new ATOM 828 N ASP A 52 1.090 -9.709 -0.910 1.00 12.71 N ATOM 829 CA ASP A 52 0.923 -8.958 -2.116 1.00 16.56 C ATOM 830 C ASP A 52 -0.354 -9.253 -2.825 1.00 15.83 C ATOM 831 O ASP A 52 -0.990 -8.319 -3.311 1.00 17.21 O ATOM 832 CB ASP A 52 2.079 -9.333 -3.058 1.00 21.05 C ATOM 833 CG ASP A 52 3.329 -8.616 -2.567 1.00 25.12 C ATOM 834 OD1 ASP A 52 3.321 -7.377 -2.793 1.00 28.37 O ATOM 835 OD2 ASP A 52 4.308 -9.200 -2.031 1.00 25.82 O ATOM 0 H ASP A 52 1.726 -10.500 -1.009 1.00 12.71 H new ATOM 0 HA ASP A 52 0.910 -7.902 -1.848 1.00 16.56 H new ATOM 0 HB2 ASP A 52 2.234 -10.412 -3.062 1.00 21.05 H new ATOM 0 HB3 ASP A 52 1.848 -9.040 -4.082 1.00 21.05 H new ATOM 840 N GLY A 53 -0.747 -10.535 -2.931 1.00 15.00 N ATOM 841 CA GLY A 53 -1.907 -10.939 -3.662 1.00 11.77 C ATOM 842 C GLY A 53 -3.079 -11.168 -2.772 1.00 11.10 C ATOM 843 O GLY A 53 -3.951 -11.988 -3.054 1.00 11.25 O ATOM 0 H GLY A 53 -0.245 -11.310 -2.497 1.00 15.00 H new ATOM 0 HA2 GLY A 53 -2.155 -10.174 -4.398 1.00 11.77 H new ATOM 0 HA3 GLY A 53 -1.687 -11.853 -4.214 1.00 11.77 H new ATOM 847 N ARG A 54 -3.079 -10.416 -1.656 1.00 8.53 N ATOM 848 CA ARG A 54 -4.129 -10.448 -0.687 1.00 9.05 C ATOM 849 C ARG A 54 -4.754 -9.096 -0.735 1.00 8.96 C ATOM 850 O ARG A 54 -4.135 -8.072 -1.017 1.00 11.60 O ATOM 851 CB ARG A 54 -3.692 -10.775 0.751 1.00 7.97 C ATOM 852 CG ARG A 54 -3.178 -12.201 0.956 1.00 9.62 C ATOM 853 CD ARG A 54 -4.135 -13.353 0.641 1.00 12.20 C ATOM 854 NE ARG A 54 -3.433 -14.616 1.007 1.00 18.23 N ATOM 855 CZ ARG A 54 -3.931 -15.880 0.881 1.00 22.08 C ATOM 856 NH1 ARG A 54 -5.256 -16.086 0.628 1.00 23.38 N ATOM 857 NH2 ARG A 54 -3.148 -16.994 0.983 1.00 25.50 N ATOM 0 H ARG A 54 -2.327 -9.768 -1.422 1.00 8.53 H new ATOM 0 HA ARG A 54 -4.809 -11.261 -0.942 1.00 9.05 H new ATOM 0 HB2 ARG A 54 -2.910 -10.076 1.046 1.00 7.97 H new ATOM 0 HB3 ARG A 54 -4.537 -10.609 1.419 1.00 7.97 H new ATOM 0 HG2 ARG A 54 -2.286 -12.328 0.342 1.00 9.62 H new ATOM 0 HG3 ARG A 54 -2.866 -12.299 1.996 1.00 9.62 H new ATOM 0 HD2 ARG A 54 -5.062 -13.250 1.205 1.00 12.20 H new ATOM 0 HD3 ARG A 54 -4.403 -13.353 -0.415 1.00 12.20 H new ATOM 0 HE ARG A 54 -2.491 -14.527 1.388 1.00 18.23 H new ATOM 0 HH11 ARG A 54 -5.886 -15.290 0.531 1.00 23.38 H new ATOM 0 HH12 ARG A 54 -5.616 -17.036 0.536 1.00 23.38 H new ATOM 0 HH21 ARG A 54 -2.148 -16.900 1.160 1.00 25.50 H new ATOM 0 HH22 ARG A 54 -3.563 -17.920 0.882 1.00 25.50 H new ATOM 871 N THR A 55 -6.064 -9.146 -0.435 1.00 9.05 N ATOM 872 CA THR A 55 -6.907 -8.033 -0.747 1.00 9.03 C ATOM 873 C THR A 55 -7.247 -7.095 0.359 1.00 8.15 C ATOM 874 O THR A 55 -6.974 -7.339 1.534 1.00 5.91 O ATOM 875 CB THR A 55 -8.162 -8.319 -1.517 1.00 11.15 C ATOM 876 OG1 THR A 55 -9.097 -9.020 -0.710 1.00 11.95 O ATOM 877 CG2 THR A 55 -8.019 -9.205 -2.766 1.00 11.71 C ATOM 0 H THR A 55 -6.531 -9.935 0.012 1.00 9.05 H new ATOM 0 HA THR A 55 -6.202 -7.531 -1.410 1.00 9.03 H new ATOM 0 HB THR A 55 -8.471 -7.320 -1.823 1.00 11.15 H new ATOM 0 HG1 THR A 55 -8.619 -9.629 -0.109 1.00 11.95 H new ATOM 0 HG21 THR A 55 -8.995 -9.336 -3.233 1.00 11.71 H new ATOM 0 HG22 THR A 55 -7.340 -8.730 -3.474 1.00 11.71 H new ATOM 0 HG23 THR A 55 -7.620 -10.178 -2.478 1.00 11.71 H new ATOM 885 N LEU A 56 -7.975 -5.992 0.112 1.00 6.91 N ATOM 886 CA LEU A 56 -8.545 -5.181 1.143 1.00 8.29 C ATOM 887 C LEU A 56 -9.727 -5.791 1.813 1.00 8.05 C ATOM 888 O LEU A 56 -10.234 -5.350 2.843 1.00 10.17 O ATOM 889 CB LEU A 56 -8.833 -3.779 0.579 1.00 6.60 C ATOM 890 CG LEU A 56 -7.639 -3.172 -0.178 1.00 7.73 C ATOM 891 CD1 LEU A 56 -8.161 -1.890 -0.850 1.00 8.64 C ATOM 892 CD2 LEU A 56 -6.415 -2.976 0.732 1.00 9.85 C ATOM 0 H LEU A 56 -8.173 -5.655 -0.830 1.00 6.91 H new ATOM 0 HA LEU A 56 -7.812 -5.099 1.946 1.00 8.29 H new ATOM 0 HB2 LEU A 56 -9.690 -3.834 -0.092 1.00 6.60 H new ATOM 0 HB3 LEU A 56 -9.111 -3.115 1.398 1.00 6.60 H new ATOM 0 HG LEU A 56 -7.259 -3.845 -0.947 1.00 7.73 H new ATOM 0 HD11 LEU A 56 -7.352 -1.415 -1.404 1.00 8.64 H new ATOM 0 HD12 LEU A 56 -8.971 -2.142 -1.535 1.00 8.64 H new ATOM 0 HD13 LEU A 56 -8.530 -1.204 -0.088 1.00 8.64 H new ATOM 0 HD21 LEU A 56 -5.597 -2.545 0.154 1.00 9.85 H new ATOM 0 HD22 LEU A 56 -6.674 -2.304 1.551 1.00 9.85 H new ATOM 0 HD23 LEU A 56 -6.105 -3.939 1.137 1.00 9.85 H new ATOM 904 N SER A 57 -10.260 -6.922 1.317 1.00 8.92 N ATOM 905 CA SER A 57 -11.474 -7.526 1.773 1.00 9.00 C ATOM 906 C SER A 57 -10.980 -8.529 2.758 1.00 9.44 C ATOM 907 O SER A 57 -11.543 -8.850 3.803 1.00 10.91 O ATOM 908 CB SER A 57 -12.254 -8.276 0.681 1.00 10.32 C ATOM 909 OG SER A 57 -12.848 -7.403 -0.269 1.00 13.59 O ATOM 0 H SER A 57 -9.821 -7.442 0.558 1.00 8.92 H new ATOM 0 HA SER A 57 -12.163 -6.770 2.150 1.00 9.00 H new ATOM 0 HB2 SER A 57 -11.581 -8.962 0.166 1.00 10.32 H new ATOM 0 HB3 SER A 57 -13.031 -8.882 1.147 1.00 10.32 H new ATOM 0 HG SER A 57 -12.187 -7.165 -0.953 1.00 13.59 H new ATOM 915 N ASP A 58 -9.749 -9.030 2.550 1.00 9.11 N ATOM 916 CA ASP A 58 -8.900 -9.836 3.370 1.00 7.91 C ATOM 917 C ASP A 58 -8.458 -9.238 4.661 1.00 9.12 C ATOM 918 O ASP A 58 -8.695 -9.725 5.765 1.00 8.61 O ATOM 919 CB ASP A 58 -7.681 -10.341 2.580 1.00 8.41 C ATOM 920 CG ASP A 58 -8.128 -11.405 1.587 1.00 11.50 C ATOM 921 OD1 ASP A 58 -8.589 -12.541 1.878 1.00 10.05 O ATOM 922 OD2 ASP A 58 -7.893 -11.105 0.386 1.00 11.70 O ATOM 0 H ASP A 58 -9.283 -8.834 1.664 1.00 9.11 H new ATOM 0 HA ASP A 58 -9.545 -10.666 3.658 1.00 7.91 H new ATOM 0 HB2 ASP A 58 -7.206 -9.513 2.054 1.00 8.41 H new ATOM 0 HB3 ASP A 58 -6.937 -10.753 3.262 1.00 8.41 H new ATOM 927 N TYR A 59 -7.919 -8.016 4.501 1.00 7.97 N ATOM 928 CA TYR A 59 -7.398 -7.314 5.633 1.00 8.45 C ATOM 929 C TYR A 59 -8.437 -6.465 6.281 1.00 10.98 C ATOM 930 O TYR A 59 -8.230 -5.770 7.274 1.00 12.95 O ATOM 931 CB TYR A 59 -6.212 -6.498 5.094 1.00 7.94 C ATOM 932 CG TYR A 59 -5.122 -7.420 4.666 1.00 6.91 C ATOM 933 CD1 TYR A 59 -4.608 -8.320 5.569 1.00 6.98 C ATOM 934 CD2 TYR A 59 -4.532 -7.351 3.426 1.00 4.59 C ATOM 935 CE1 TYR A 59 -3.597 -9.200 5.260 1.00 6.52 C ATOM 936 CE2 TYR A 59 -3.488 -8.180 3.089 1.00 5.39 C ATOM 937 CZ TYR A 59 -3.033 -9.092 4.011 1.00 6.76 C ATOM 938 OH TYR A 59 -2.131 -10.111 3.636 1.00 7.63 O ATOM 0 H TYR A 59 -7.844 -7.523 3.611 1.00 7.97 H new ATOM 0 HA TYR A 59 -7.075 -7.994 6.421 1.00 8.45 H new ATOM 0 HB2 TYR A 59 -6.533 -5.884 4.253 1.00 7.94 H new ATOM 0 HB3 TYR A 59 -5.846 -5.819 5.864 1.00 7.94 H new ATOM 0 HD1 TYR A 59 -5.017 -8.337 6.568 1.00 6.98 H new ATOM 0 HD2 TYR A 59 -4.895 -6.634 2.705 1.00 4.59 H new ATOM 0 HE1 TYR A 59 -3.261 -9.943 5.968 1.00 6.52 H new ATOM 0 HE2 TYR A 59 -3.031 -8.115 2.112 1.00 5.39 H new ATOM 0 HH TYR A 59 -2.540 -10.986 3.800 1.00 7.63 H new ATOM 948 N ASN A 60 -9.648 -6.332 5.710 1.00 12.38 N ATOM 949 CA ASN A 60 -10.709 -5.627 6.359 1.00 13.94 C ATOM 950 C ASN A 60 -10.505 -4.152 6.386 1.00 14.16 C ATOM 951 O ASN A 60 -10.933 -3.407 7.267 1.00 14.26 O ATOM 952 CB ASN A 60 -11.168 -6.264 7.682 1.00 19.23 C ATOM 953 CG ASN A 60 -11.776 -7.634 7.416 1.00 22.65 C ATOM 954 OD1 ASN A 60 -11.239 -8.663 7.820 1.00 25.45 O ATOM 955 ND2 ASN A 60 -12.922 -7.745 6.691 1.00 24.09 N ATOM 0 H ASN A 60 -9.892 -6.714 4.796 1.00 12.38 H new ATOM 0 HA ASN A 60 -11.583 -5.752 5.720 1.00 13.94 H new ATOM 0 HB2 ASN A 60 -10.322 -6.358 8.363 1.00 19.23 H new ATOM 0 HB3 ASN A 60 -11.900 -5.621 8.170 1.00 19.23 H new ATOM 0 HD21 ASN A 60 -13.314 -8.666 6.495 1.00 24.09 H new ATOM 0 HD22 ASN A 60 -13.389 -6.907 6.343 1.00 24.09 H new ATOM 962 N ILE A 61 -9.923 -3.618 5.297 1.00 11.08 N ATOM 963 CA ILE A 61 -9.479 -2.271 5.114 1.00 11.78 C ATOM 964 C ILE A 61 -10.485 -1.569 4.269 1.00 13.74 C ATOM 965 O ILE A 61 -10.584 -1.882 3.084 1.00 14.60 O ATOM 966 CB ILE A 61 -8.118 -2.284 4.483 1.00 11.80 C ATOM 967 CG1 ILE A 61 -7.143 -2.803 5.554 1.00 11.56 C ATOM 968 CG2 ILE A 61 -7.845 -0.886 3.906 1.00 13.29 C ATOM 969 CD1 ILE A 61 -5.677 -2.672 5.141 1.00 11.42 C ATOM 0 H ILE A 61 -9.748 -4.185 4.468 1.00 11.08 H new ATOM 0 HA ILE A 61 -9.392 -1.742 6.063 1.00 11.78 H new ATOM 0 HB ILE A 61 -8.008 -2.953 3.630 1.00 11.80 H new ATOM 0 HG12 ILE A 61 -7.304 -2.253 6.481 1.00 11.56 H new ATOM 0 HG13 ILE A 61 -7.364 -3.850 5.762 1.00 11.56 H new ATOM 0 HG21 ILE A 61 -6.859 -0.870 3.441 1.00 13.29 H new ATOM 0 HG22 ILE A 61 -8.602 -0.646 3.160 1.00 13.29 H new ATOM 0 HG23 ILE A 61 -7.880 -0.148 4.708 1.00 13.29 H new ATOM 0 HD11 ILE A 61 -5.039 -3.055 5.938 1.00 11.42 H new ATOM 0 HD12 ILE A 61 -5.503 -3.245 4.230 1.00 11.42 H new ATOM 0 HD13 ILE A 61 -5.442 -1.623 4.960 1.00 11.42 H new ATOM 981 N GLN A 62 -11.284 -0.626 4.801 1.00 13.97 N ATOM 982 CA GLN A 62 -12.282 0.101 4.079 1.00 15.52 C ATOM 983 C GLN A 62 -11.810 1.473 3.740 1.00 13.94 C ATOM 984 O GLN A 62 -10.723 1.954 4.056 1.00 12.15 O ATOM 985 CB GLN A 62 -13.444 0.243 5.076 1.00 19.53 C ATOM 986 CG GLN A 62 -13.949 -1.003 5.807 1.00 26.38 C ATOM 987 CD GLN A 62 -14.764 -0.581 7.021 1.00 30.61 C ATOM 988 OE1 GLN A 62 -15.923 -0.187 6.894 1.00 33.23 O ATOM 989 NE2 GLN A 62 -14.087 -0.651 8.198 1.00 32.71 N ATOM 0 H GLN A 62 -11.231 -0.358 5.784 1.00 13.97 H new ATOM 0 HA GLN A 62 -12.542 -0.406 3.150 1.00 15.52 H new ATOM 0 HB2 GLN A 62 -13.143 0.969 5.832 1.00 19.53 H new ATOM 0 HB3 GLN A 62 -14.288 0.674 4.538 1.00 19.53 H new ATOM 0 HG2 GLN A 62 -14.560 -1.608 5.137 1.00 26.38 H new ATOM 0 HG3 GLN A 62 -13.107 -1.622 6.118 1.00 26.38 H new ATOM 0 HE21 GLN A 62 -13.125 -0.991 8.214 1.00 32.71 H new ATOM 0 HE22 GLN A 62 -14.541 -0.364 9.065 1.00 32.71 H new ATOM 998 N LYS A 63 -12.697 2.246 3.088 1.00 11.73 N ATOM 999 CA LYS A 63 -12.522 3.617 2.723 1.00 11.97 C ATOM 1000 C LYS A 63 -12.062 4.542 3.797 1.00 10.41 C ATOM 1001 O LYS A 63 -12.305 4.398 4.994 1.00 9.59 O ATOM 1002 CB LYS A 63 -13.830 4.260 2.235 1.00 13.73 C ATOM 1003 CG LYS A 63 -14.922 4.450 3.290 1.00 16.98 C ATOM 1004 CD LYS A 63 -16.261 4.904 2.705 1.00 20.19 C ATOM 1005 CE LYS A 63 -17.505 4.812 3.590 1.00 23.42 C ATOM 1006 NZ LYS A 63 -18.690 5.240 2.814 1.00 25.97 N ATOM 0 H LYS A 63 -13.604 1.884 2.795 1.00 11.73 H new ATOM 0 HA LYS A 63 -11.750 3.524 1.959 1.00 11.97 H new ATOM 0 HB2 LYS A 63 -13.594 5.234 1.806 1.00 13.73 H new ATOM 0 HB3 LYS A 63 -14.234 3.647 1.430 1.00 13.73 H new ATOM 0 HG2 LYS A 63 -15.067 3.511 3.825 1.00 16.98 H new ATOM 0 HG3 LYS A 63 -14.586 5.185 4.022 1.00 16.98 H new ATOM 0 HD2 LYS A 63 -16.152 5.942 2.391 1.00 20.19 H new ATOM 0 HD3 LYS A 63 -16.448 4.317 1.806 1.00 20.19 H new ATOM 0 HE2 LYS A 63 -17.638 3.790 3.945 1.00 23.42 H new ATOM 0 HE3 LYS A 63 -17.386 5.442 4.471 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 -19.538 5.179 3.413 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 -18.561 6.222 2.496 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 -18.805 4.621 1.986 1.00 25.97 H new ATOM 1020 N GLU A 64 -11.302 5.594 3.444 1.00 10.04 N ATOM 1021 CA GLU A 64 -10.650 6.497 4.342 1.00 10.94 C ATOM 1022 C GLU A 64 -9.759 5.936 5.396 1.00 9.74 C ATOM 1023 O GLU A 64 -9.622 6.492 6.485 1.00 9.42 O ATOM 1024 CB GLU A 64 -11.755 7.480 4.767 1.00 18.31 C ATOM 1025 CG GLU A 64 -12.515 8.096 3.591 1.00 24.16 C ATOM 1026 CD GLU A 64 -13.596 9.023 4.127 1.00 29.00 C ATOM 1027 OE1 GLU A 64 -13.403 9.747 5.141 1.00 31.72 O ATOM 1028 OE2 GLU A 64 -14.700 8.984 3.521 1.00 32.61 O ATOM 0 H GLU A 64 -11.132 5.829 2.466 1.00 10.04 H new ATOM 0 HA GLU A 64 -9.836 7.019 3.839 1.00 10.94 H new ATOM 0 HB2 GLU A 64 -12.462 6.960 5.413 1.00 18.31 H new ATOM 0 HB3 GLU A 64 -11.310 8.279 5.359 1.00 18.31 H new ATOM 0 HG2 GLU A 64 -11.830 8.649 2.949 1.00 24.16 H new ATOM 0 HG3 GLU A 64 -12.961 7.312 2.980 1.00 24.16 H new ATOM 1035 N SER A 65 -9.007 4.864 5.088 1.00 6.85 N ATOM 1036 CA SER A 65 -8.092 4.243 5.995 1.00 6.90 C ATOM 1037 C SER A 65 -6.757 4.808 5.650 1.00 4.72 C ATOM 1038 O SER A 65 -6.496 4.991 4.462 1.00 3.91 O ATOM 1039 CB SER A 65 -7.999 2.709 5.942 1.00 7.28 C ATOM 1040 OG SER A 65 -9.298 2.219 6.244 1.00 10.56 O ATOM 0 H SER A 65 -9.037 4.413 4.174 1.00 6.85 H new ATOM 0 HA SER A 65 -8.447 4.450 7.005 1.00 6.90 H new ATOM 0 HB2 SER A 65 -7.676 2.373 4.957 1.00 7.28 H new ATOM 0 HB3 SER A 65 -7.267 2.339 6.660 1.00 7.28 H new ATOM 0 HG SER A 65 -9.840 2.204 5.428 1.00 10.56 H new ATOM 1046 N THR A 66 -5.896 5.022 6.660 1.00 4.48 N ATOM 1047 CA THR A 66 -4.544 5.471 6.534 1.00 3.80 C ATOM 1048 C THR A 66 -3.598 4.329 6.672 1.00 4.60 C ATOM 1049 O THR A 66 -3.408 3.597 7.643 1.00 5.33 O ATOM 1050 CB THR A 66 -4.259 6.495 7.593 1.00 2.85 C ATOM 1051 OG1 THR A 66 -4.919 7.714 7.288 1.00 2.15 O ATOM 1052 CG2 THR A 66 -2.795 6.963 7.526 1.00 3.40 C ATOM 0 H THR A 66 -6.164 4.871 7.632 1.00 4.48 H new ATOM 0 HA THR A 66 -4.410 5.914 5.547 1.00 3.80 H new ATOM 0 HB THR A 66 -4.548 6.026 8.534 1.00 2.85 H new ATOM 0 HG1 THR A 66 -4.727 8.374 7.987 1.00 2.15 H new ATOM 0 HG21 THR A 66 -2.614 7.705 8.304 1.00 3.40 H new ATOM 0 HG22 THR A 66 -2.133 6.110 7.677 1.00 3.40 H new ATOM 0 HG23 THR A 66 -2.599 7.406 6.550 1.00 3.40 H new ATOM 1060 N LEU A 67 -3.068 3.976 5.488 1.00 4.17 N ATOM 1061 CA LEU A 67 -2.036 3.003 5.309 1.00 3.85 C ATOM 1062 C LEU A 67 -0.680 3.618 5.359 1.00 3.80 C ATOM 1063 O LEU A 67 -0.448 4.767 4.984 1.00 5.54 O ATOM 1064 CB LEU A 67 -2.100 2.119 4.052 1.00 7.18 C ATOM 1065 CG LEU A 67 -3.427 1.383 3.804 1.00 9.67 C ATOM 1066 CD1 LEU A 67 -4.699 2.221 3.591 1.00 11.66 C ATOM 1067 CD2 LEU A 67 -3.190 0.530 2.547 1.00 8.12 C ATOM 0 H LEU A 67 -3.376 4.392 4.609 1.00 4.17 H new ATOM 0 HA LEU A 67 -2.224 2.339 6.152 1.00 3.85 H new ATOM 0 HB2 LEU A 67 -1.887 2.743 3.184 1.00 7.18 H new ATOM 0 HB3 LEU A 67 -1.304 1.377 4.114 1.00 7.18 H new ATOM 0 HG LEU A 67 -3.647 0.841 4.724 1.00 9.67 H new ATOM 0 HD11 LEU A 67 -5.549 1.558 3.429 1.00 11.66 H new ATOM 0 HD12 LEU A 67 -4.881 2.836 4.472 1.00 11.66 H new ATOM 0 HD13 LEU A 67 -4.570 2.864 2.720 1.00 11.66 H new ATOM 0 HD21 LEU A 67 -4.097 -0.026 2.308 1.00 8.12 H new ATOM 0 HD22 LEU A 67 -2.931 1.179 1.710 1.00 8.12 H new ATOM 0 HD23 LEU A 67 -2.374 -0.169 2.730 1.00 8.12 H new ATOM 1079 N HIS A 68 0.309 2.829 5.815 1.00 2.94 N ATOM 1080 CA HIS A 68 1.660 3.295 5.875 1.00 4.17 C ATOM 1081 C HIS A 68 2.494 2.742 4.771 1.00 5.32 C ATOM 1082 O HIS A 68 2.696 1.531 4.697 1.00 7.70 O ATOM 1083 CB HIS A 68 2.372 2.838 7.159 1.00 5.57 C ATOM 1084 CG HIS A 68 1.731 3.429 8.379 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.551 2.920 8.884 1.00 13.74 N ATOM 1086 CD2 HIS A 68 1.941 4.631 8.979 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.128 3.852 9.779 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.954 4.873 9.912 1.00 16.30 N ATOM 0 H HIS A 68 0.175 1.872 6.141 1.00 2.94 H new ATOM 0 HA HIS A 68 1.575 4.380 5.818 1.00 4.17 H new ATOM 0 HB2 HIS A 68 2.347 1.750 7.223 1.00 5.57 H new ATOM 0 HB3 HIS A 68 3.421 3.131 7.119 1.00 5.57 H new ATOM 0 HD1 HIS A 68 0.097 2.040 8.640 1.00 13.74 H new ATOM 0 HD2 HIS A 68 2.761 5.299 8.758 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -0.797 3.765 10.330 1.00 14.75 H new ATOM 1096 N LEU A 69 3.202 3.581 3.994 1.00 5.29 N ATOM 1097 CA LEU A 69 4.181 3.121 3.058 1.00 3.97 C ATOM 1098 C LEU A 69 5.544 3.394 3.595 1.00 5.07 C ATOM 1099 O LEU A 69 6.025 4.486 3.892 1.00 4.34 O ATOM 1100 CB LEU A 69 3.950 3.933 1.772 1.00 6.08 C ATOM 1101 CG LEU A 69 5.049 3.988 0.698 1.00 7.37 C ATOM 1102 CD1 LEU A 69 5.157 2.632 -0.020 1.00 9.96 C ATOM 1103 CD2 LEU A 69 4.894 5.014 -0.437 1.00 6.87 C ATOM 0 H LEU A 69 3.093 4.595 4.016 1.00 5.29 H new ATOM 0 HA LEU A 69 4.098 2.050 2.873 1.00 3.97 H new ATOM 0 HB2 LEU A 69 3.050 3.542 1.297 1.00 6.08 H new ATOM 0 HB3 LEU A 69 3.734 4.959 2.069 1.00 6.08 H new ATOM 0 HG LEU A 69 5.918 4.280 1.288 1.00 7.37 H new ATOM 0 HD11 LEU A 69 5.938 2.683 -0.778 1.00 9.96 H new ATOM 0 HD12 LEU A 69 5.404 1.856 0.704 1.00 9.96 H new ATOM 0 HD13 LEU A 69 4.205 2.395 -0.495 1.00 9.96 H new ATOM 0 HD21 LEU A 69 5.743 4.936 -1.116 1.00 6.87 H new ATOM 0 HD22 LEU A 69 3.972 4.815 -0.984 1.00 6.87 H new ATOM 0 HD23 LEU A 69 4.857 6.019 -0.017 1.00 6.87 H new ATOM 1115 N VAL A 70 6.249 2.271 3.822 1.00 4.29 N ATOM 1116 CA VAL A 70 7.576 2.292 4.355 1.00 6.26 C ATOM 1117 C VAL A 70 8.541 1.666 3.409 1.00 9.22 C ATOM 1118 O VAL A 70 8.194 1.241 2.308 1.00 9.36 O ATOM 1119 CB VAL A 70 7.689 1.588 5.674 1.00 8.69 C ATOM 1120 CG1 VAL A 70 6.745 2.302 6.656 1.00 9.76 C ATOM 1121 CG2 VAL A 70 7.277 0.106 5.637 1.00 8.54 C ATOM 0 H VAL A 70 5.893 1.334 3.633 1.00 4.29 H new ATOM 0 HA VAL A 70 7.814 3.345 4.504 1.00 6.26 H new ATOM 0 HB VAL A 70 8.739 1.620 5.965 1.00 8.69 H new ATOM 0 HG11 VAL A 70 6.799 1.817 7.631 1.00 9.76 H new ATOM 0 HG12 VAL A 70 7.043 3.346 6.753 1.00 9.76 H new ATOM 0 HG13 VAL A 70 5.723 2.250 6.281 1.00 9.76 H new ATOM 0 HG21 VAL A 70 7.389 -0.328 6.631 1.00 8.54 H new ATOM 0 HG22 VAL A 70 6.237 0.025 5.320 1.00 8.54 H new ATOM 0 HG23 VAL A 70 7.913 -0.431 4.933 1.00 8.54 H new ATOM 1131 N LEU A 71 9.839 1.741 3.756 1.00 12.71 N ATOM 1132 CA LEU A 71 10.974 1.305 3.003 1.00 16.06 C ATOM 1133 C LEU A 71 11.414 -0.056 3.422 1.00 18.09 C ATOM 1134 O LEU A 71 11.695 -0.350 4.582 1.00 19.26 O ATOM 1135 CB LEU A 71 12.134 2.315 2.992 1.00 17.10 C ATOM 1136 CG LEU A 71 13.393 2.030 2.155 1.00 19.37 C ATOM 1137 CD1 LEU A 71 13.034 1.792 0.679 1.00 19.57 C ATOM 1138 CD2 LEU A 71 14.269 3.292 2.234 1.00 17.51 C ATOM 0 H LEU A 71 10.117 2.146 4.650 1.00 12.71 H new ATOM 0 HA LEU A 71 10.643 1.242 1.966 1.00 16.06 H new ATOM 0 HB2 LEU A 71 11.730 3.270 2.655 1.00 17.10 H new ATOM 0 HB3 LEU A 71 12.455 2.451 4.025 1.00 17.10 H new ATOM 0 HG LEU A 71 13.897 1.141 2.536 1.00 19.37 H new ATOM 0 HD11 LEU A 71 13.943 1.593 0.111 1.00 19.57 H new ATOM 0 HD12 LEU A 71 12.363 0.937 0.601 1.00 19.57 H new ATOM 0 HD13 LEU A 71 12.541 2.677 0.277 1.00 19.57 H new ATOM 0 HD21 LEU A 71 15.179 3.140 1.654 1.00 17.51 H new ATOM 0 HD22 LEU A 71 13.719 4.142 1.831 1.00 17.51 H new ATOM 0 HD23 LEU A 71 14.530 3.489 3.274 1.00 17.51 H new ATOM 1150 N ARG A 72 11.475 -0.988 2.454 1.00 21.47 N ATOM 1151 CA ARG A 72 11.805 -2.344 2.766 1.00 25.83 C ATOM 1152 C ARG A 72 13.241 -2.575 3.090 1.00 27.74 C ATOM 1153 O ARG A 72 14.155 -2.039 2.464 1.00 30.65 O ATOM 1154 CB ARG A 72 11.490 -3.130 1.482 1.00 28.49 C ATOM 1155 CG ARG A 72 11.476 -4.650 1.660 1.00 31.79 C ATOM 1156 CD ARG A 72 11.092 -5.453 0.415 1.00 34.05 C ATOM 1157 NE ARG A 72 12.210 -5.375 -0.566 1.00 35.08 N ATOM 1158 CZ ARG A 72 12.069 -5.978 -1.783 1.00 34.67 C ATOM 1159 NH1 ARG A 72 10.918 -6.594 -2.184 1.00 35.02 N ATOM 1160 NH2 ARG A 72 13.186 -6.198 -2.536 1.00 34.97 N ATOM 0 H ARG A 72 11.298 -0.806 1.466 1.00 21.47 H new ATOM 0 HA ARG A 72 11.245 -2.643 3.652 1.00 25.83 H new ATOM 0 HB2 ARG A 72 10.518 -2.811 1.104 1.00 28.49 H new ATOM 0 HB3 ARG A 72 12.228 -2.872 0.722 1.00 28.49 H new ATOM 0 HG2 ARG A 72 12.465 -4.970 1.987 1.00 31.79 H new ATOM 0 HG3 ARG A 72 10.780 -4.899 2.461 1.00 31.79 H new ATOM 0 HD2 ARG A 72 10.894 -6.491 0.681 1.00 34.05 H new ATOM 0 HD3 ARG A 72 10.176 -5.056 -0.023 1.00 34.05 H new ATOM 0 HE ARG A 72 13.069 -4.878 -0.332 1.00 35.08 H new ATOM 0 HH11 ARG A 72 10.110 -6.619 -1.563 1.00 35.02 H new ATOM 0 HH12 ARG A 72 10.867 -7.029 -3.105 1.00 35.02 H new ATOM 0 HH21 ARG A 72 14.101 -5.914 -2.186 1.00 34.97 H new ATOM 0 HH22 ARG A 72 13.106 -6.647 -3.448 1.00 34.97 H new ATOM 1174 N LEU A 73 13.633 -3.399 4.077 1.00 28.93 N ATOM 1175 CA LEU A 73 14.994 -3.587 4.474 1.00 30.76 C ATOM 1176 C LEU A 73 15.591 -4.645 3.611 1.00 32.18 C ATOM 1177 O LEU A 73 16.718 -4.499 3.142 1.00 32.31 O ATOM 1178 CB LEU A 73 15.190 -3.964 5.952 1.00 30.53 C ATOM 1179 CG LEU A 73 14.619 -2.958 6.966 1.00 30.16 C ATOM 1180 CD1 LEU A 73 14.756 -3.542 8.382 1.00 29.11 C ATOM 1181 CD2 LEU A 73 15.201 -1.543 6.815 1.00 29.57 C ATOM 0 H LEU A 73 12.975 -3.957 4.621 1.00 28.93 H new ATOM 0 HA LEU A 73 15.489 -2.624 4.352 1.00 30.76 H new ATOM 0 HB2 LEU A 73 14.726 -4.935 6.127 1.00 30.53 H new ATOM 0 HB3 LEU A 73 16.257 -4.081 6.142 1.00 30.53 H new ATOM 0 HG LEU A 73 13.558 -2.815 6.759 1.00 30.16 H new ATOM 0 HD11 LEU A 73 14.354 -2.835 9.108 1.00 29.11 H new ATOM 0 HD12 LEU A 73 14.204 -4.480 8.444 1.00 29.11 H new ATOM 0 HD13 LEU A 73 15.808 -3.726 8.600 1.00 29.11 H new ATOM 0 HD21 LEU A 73 14.755 -0.885 7.561 1.00 29.57 H new ATOM 0 HD22 LEU A 73 16.281 -1.576 6.960 1.00 29.57 H new ATOM 0 HD23 LEU A 73 14.980 -1.163 5.817 1.00 29.57 H new ATOM 1193 N ARG A 74 15.017 -5.854 3.476 1.00 33.82 N ATOM 1194 CA ARG A 74 15.653 -6.992 2.889 1.00 35.33 C ATOM 1195 C ARG A 74 14.906 -7.471 1.692 1.00 36.22 C ATOM 1196 O ARG A 74 15.295 -7.056 0.602 1.00 36.70 O ATOM 1197 CB ARG A 74 15.903 -8.166 3.851 1.00 36.91 C ATOM 1198 CG ARG A 74 16.561 -7.700 5.152 1.00 38.62 C ATOM 1199 CD ARG A 74 16.550 -8.737 6.277 1.00 39.75 C ATOM 1200 NE ARG A 74 15.191 -8.834 6.882 1.00 41.13 N ATOM 1201 CZ ARG A 74 14.854 -8.340 8.108 1.00 41.91 C ATOM 1202 NH1 ARG A 74 15.635 -7.381 8.687 1.00 42.75 N ATOM 1203 NH2 ARG A 74 13.702 -8.774 8.698 1.00 41.93 N ATOM 0 H ARG A 74 14.066 -6.047 3.791 1.00 33.82 H new ATOM 0 HA ARG A 74 16.638 -6.629 2.597 1.00 35.33 H new ATOM 0 HB2 ARG A 74 14.958 -8.659 4.077 1.00 36.91 H new ATOM 0 HB3 ARG A 74 16.540 -8.905 3.365 1.00 36.91 H new ATOM 0 HG2 ARG A 74 17.594 -7.421 4.942 1.00 38.62 H new ATOM 0 HG3 ARG A 74 16.053 -6.801 5.499 1.00 38.62 H new ATOM 0 HD2 ARG A 74 16.851 -9.709 5.887 1.00 39.75 H new ATOM 0 HD3 ARG A 74 17.276 -8.461 7.041 1.00 39.75 H new ATOM 0 HE ARG A 74 14.463 -9.302 6.342 1.00 41.13 H new ATOM 0 HH11 ARG A 74 16.465 -7.038 8.203 1.00 42.75 H new ATOM 0 HH12 ARG A 74 15.389 -7.007 9.604 1.00 42.75 H new ATOM 0 HH21 ARG A 74 13.111 -9.456 8.222 1.00 41.93 H new ATOM 0 HH22 ARG A 74 13.432 -8.417 9.615 1.00 41.93 H new ATOM 1217 N GLY A 75 13.821 -8.234 1.914 1.00 36.31 N ATOM 1218 CA GLY A 75 13.051 -8.846 0.876 1.00 36.07 C ATOM 1219 C GLY A 75 11.780 -9.397 1.426 1.00 36.16 C ATOM 1220 O GLY A 75 10.724 -9.047 0.902 1.00 36.26 O ATOM 0 H GLY A 75 13.467 -8.432 2.850 1.00 36.31 H new ATOM 0 HA2 GLY A 75 12.831 -8.114 0.099 1.00 36.07 H new ATOM 0 HA3 GLY A 75 13.628 -9.644 0.409 1.00 36.07 H new ATOM 1224 N GLY A 76 11.830 -10.299 2.422 1.00 36.05 N ATOM 1225 CA GLY A 76 10.702 -10.937 3.027 1.00 36.19 C ATOM 1226 C GLY A 76 10.011 -10.056 4.059 1.00 36.20 C ATOM 1227 O GLY A 76 8.752 -10.056 4.102 1.00 36.13 O ATOM 1228 OXT GLY A 76 10.612 -9.316 4.883 1.00 36.27 O ATOM 0 H GLY A 76 12.714 -10.602 2.830 1.00 36.05 H new ATOM 0 HA2 GLY A 76 9.986 -11.211 2.252 1.00 36.19 H new ATOM 0 HA3 GLY A 76 11.026 -11.862 3.504 1.00 36.19 H new TER 1232 GLY A 76