USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 646 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 Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl -113:sc= -1.21 (180deg=-5.74!) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 40 MET CE :methyl 156:sc= -0.0905 (180deg=-0.444) USER MOD Single : A 43 THR OG1 : rot 74:sc= 0.211 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS :FLIP no HE2:sc= 0.155 F(o=-0.72,f=0.16) USER MOD Single : A 49 GLN : amide:sc= -0.176 X(o=-0.18,f=-0.022) USER MOD Single : A 52 SER OG : rot 59:sc= 1.16 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -1.87! C(o=-1.9!,f=-2.8!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.756 K(o=-0.76,f=-5.5!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 15 10.604 -21.661 -4.447 1.00 0.00 N ATOM 2 CA MET A 15 9.134 -21.410 -4.517 1.00 0.00 C ATOM 3 C MET A 15 8.796 -19.978 -4.095 1.00 0.00 C ATOM 4 O MET A 15 9.602 -19.312 -3.445 1.00 0.00 O ATOM 5 CB MET A 15 8.419 -22.415 -3.605 1.00 0.00 C ATOM 6 CG MET A 15 7.748 -23.552 -4.359 1.00 0.00 C ATOM 7 SD MET A 15 8.889 -24.436 -5.440 1.00 0.00 S ATOM 8 CE MET A 15 7.887 -25.845 -5.911 1.00 0.00 C ATOM 0 HA MET A 15 8.800 -21.536 -5.547 1.00 0.00 H new ATOM 0 HB2 MET A 15 9.140 -22.832 -2.902 1.00 0.00 H new ATOM 0 HB3 MET A 15 7.668 -21.888 -3.016 1.00 0.00 H new ATOM 0 HG2 MET A 15 7.315 -24.252 -3.644 1.00 0.00 H new ATOM 0 HG3 MET A 15 6.926 -23.154 -4.953 1.00 0.00 H new ATOM 0 HE1 MET A 15 8.456 -26.488 -6.582 1.00 0.00 H new ATOM 0 HE2 MET A 15 7.607 -26.407 -5.020 1.00 0.00 H new ATOM 0 HE3 MET A 15 6.987 -25.498 -6.418 1.00 0.00 H new ATOM 18 N MET A 16 7.604 -19.517 -4.468 1.00 0.00 N ATOM 19 CA MET A 16 7.156 -18.165 -4.130 1.00 0.00 C ATOM 20 C MET A 16 6.041 -18.197 -3.078 1.00 0.00 C ATOM 21 O MET A 16 5.575 -19.269 -2.686 1.00 0.00 O ATOM 22 CB MET A 16 6.679 -17.435 -5.393 1.00 0.00 C ATOM 23 CG MET A 16 5.558 -18.151 -6.136 1.00 0.00 C ATOM 24 SD MET A 16 6.168 -19.187 -7.479 1.00 0.00 S ATOM 25 CE MET A 16 4.642 -19.917 -8.067 1.00 0.00 C ATOM 0 H MET A 16 6.929 -20.060 -5.006 1.00 0.00 H new ATOM 0 HA MET A 16 8.001 -17.624 -3.705 1.00 0.00 H new ATOM 0 HB2 MET A 16 6.339 -16.437 -5.117 1.00 0.00 H new ATOM 0 HB3 MET A 16 7.525 -17.308 -6.068 1.00 0.00 H new ATOM 0 HG2 MET A 16 4.997 -18.767 -5.433 1.00 0.00 H new ATOM 0 HG3 MET A 16 4.864 -17.413 -6.538 1.00 0.00 H new ATOM 0 HE1 MET A 16 4.856 -20.586 -8.901 1.00 0.00 H new ATOM 0 HE2 MET A 16 4.174 -20.481 -7.260 1.00 0.00 H new ATOM 0 HE3 MET A 16 3.966 -19.129 -8.398 1.00 0.00 H new ATOM 35 N LYS A 17 5.616 -17.017 -2.628 1.00 0.00 N ATOM 36 CA LYS A 17 4.555 -16.908 -1.625 1.00 0.00 C ATOM 37 C LYS A 17 3.452 -15.951 -2.087 1.00 0.00 C ATOM 38 O LYS A 17 3.733 -14.896 -2.659 1.00 0.00 O ATOM 39 CB LYS A 17 5.139 -16.431 -0.290 1.00 0.00 C ATOM 40 CG LYS A 17 4.683 -17.254 0.906 1.00 0.00 C ATOM 41 CD LYS A 17 5.338 -16.776 2.194 1.00 0.00 C ATOM 42 CE LYS A 17 5.783 -17.940 3.065 1.00 0.00 C ATOM 43 NZ LYS A 17 4.775 -18.265 4.115 1.00 0.00 N ATOM 0 H LYS A 17 5.990 -16.122 -2.942 1.00 0.00 H new ATOM 0 HA LYS A 17 4.113 -17.896 -1.492 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.227 -16.462 -0.348 1.00 0.00 H new ATOM 0 HB3 LYS A 17 4.858 -15.390 -0.132 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.599 -17.189 1.002 1.00 0.00 H new ATOM 0 HG3 LYS A 17 4.926 -18.304 0.741 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.198 -16.151 1.954 1.00 0.00 H new ATOM 0 HD3 LYS A 17 4.637 -16.153 2.749 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.952 -18.817 2.440 1.00 0.00 H new ATOM 0 HE3 LYS A 17 6.735 -17.697 3.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 5.115 -19.064 4.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 4.632 -17.436 4.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.874 -18.522 3.664 1.00 0.00 H new ATOM 57 N LEU A 18 2.198 -16.330 -1.837 1.00 0.00 N ATOM 58 CA LEU A 18 1.049 -15.510 -2.226 1.00 0.00 C ATOM 59 C LEU A 18 -0.226 -15.967 -1.509 1.00 0.00 C ATOM 60 O LEU A 18 -0.283 -17.076 -0.975 1.00 0.00 O ATOM 61 CB LEU A 18 0.850 -15.562 -3.747 1.00 0.00 C ATOM 62 CG LEU A 18 0.870 -16.966 -4.365 1.00 0.00 C ATOM 63 CD1 LEU A 18 -0.514 -17.356 -4.846 1.00 0.00 C ATOM 64 CD2 LEU A 18 1.866 -17.033 -5.511 1.00 0.00 C ATOM 0 H LEU A 18 1.952 -17.201 -1.366 1.00 0.00 H new ATOM 0 HA LEU A 18 1.253 -14.481 -1.929 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.103 -15.091 -3.988 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.630 -14.964 -4.219 1.00 0.00 H new ATOM 0 HG LEU A 18 1.181 -17.673 -3.596 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.480 -18.355 -5.281 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.207 -17.350 -4.004 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.852 -16.644 -5.599 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.865 -18.037 -5.936 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.585 -16.313 -6.280 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.863 -16.797 -5.140 1.00 0.00 H new ATOM 76 N GLY A 19 -1.243 -15.101 -1.502 1.00 0.00 N ATOM 77 CA GLY A 19 -2.506 -15.429 -0.846 1.00 0.00 C ATOM 78 C GLY A 19 -3.408 -16.301 -1.704 1.00 0.00 C ATOM 79 O GLY A 19 -2.939 -17.224 -2.373 1.00 0.00 O ATOM 0 H GLY A 19 -1.216 -14.179 -1.938 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.299 -15.942 0.093 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.031 -14.507 -0.597 1.00 0.00 H new ATOM 83 N LEU A 20 -4.710 -16.010 -1.691 1.00 0.00 N ATOM 84 CA LEU A 20 -5.676 -16.780 -2.477 1.00 0.00 C ATOM 85 C LEU A 20 -5.527 -16.495 -3.978 1.00 0.00 C ATOM 86 O LEU A 20 -6.378 -15.849 -4.593 1.00 0.00 O ATOM 87 CB LEU A 20 -7.107 -16.477 -2.012 1.00 0.00 C ATOM 88 CG LEU A 20 -8.122 -17.591 -2.275 1.00 0.00 C ATOM 89 CD1 LEU A 20 -7.720 -18.864 -1.550 1.00 0.00 C ATOM 90 CD2 LEU A 20 -9.514 -17.155 -1.849 1.00 0.00 C ATOM 0 H LEU A 20 -5.119 -15.250 -1.147 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.472 -17.839 -2.316 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -7.089 -16.268 -0.942 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -7.450 -15.569 -2.509 1.00 0.00 H new ATOM 0 HG LEU A 20 -8.136 -17.795 -3.346 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.455 -19.644 -1.750 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -6.741 -19.189 -1.901 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -7.676 -18.674 -0.478 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -10.223 -17.960 -2.043 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -9.512 -16.922 -0.784 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -9.807 -16.270 -2.413 1.00 0.00 H new ATOM 102 N VAL A 21 -4.430 -16.978 -4.555 1.00 0.00 N ATOM 103 CA VAL A 21 -4.151 -16.778 -5.979 1.00 0.00 C ATOM 104 C VAL A 21 -3.293 -17.915 -6.544 1.00 0.00 C ATOM 105 O VAL A 21 -3.019 -18.901 -5.857 1.00 0.00 O ATOM 106 CB VAL A 21 -3.434 -15.424 -6.240 1.00 0.00 C ATOM 107 CG1 VAL A 21 -4.360 -14.462 -6.966 1.00 0.00 C ATOM 108 CG2 VAL A 21 -2.929 -14.801 -4.946 1.00 0.00 C ATOM 0 H VAL A 21 -3.717 -17.512 -4.059 1.00 0.00 H new ATOM 0 HA VAL A 21 -5.116 -16.769 -6.485 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.569 -15.624 -6.872 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.841 -13.519 -7.140 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.658 -14.894 -7.921 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.246 -14.281 -6.358 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -2.433 -13.856 -5.167 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.770 -14.622 -4.276 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -2.222 -15.479 -4.468 1.00 0.00 H new ATOM 118 N ARG A 22 -2.872 -17.770 -7.799 1.00 0.00 N ATOM 119 CA ARG A 22 -2.041 -18.779 -8.457 1.00 0.00 C ATOM 120 C ARG A 22 -0.597 -18.289 -8.603 1.00 0.00 C ATOM 121 O ARG A 22 0.341 -18.955 -8.164 1.00 0.00 O ATOM 122 CB ARG A 22 -2.623 -19.134 -9.831 1.00 0.00 C ATOM 123 CG ARG A 22 -2.512 -20.611 -10.180 1.00 0.00 C ATOM 124 CD ARG A 22 -3.860 -21.198 -10.576 1.00 0.00 C ATOM 125 NE ARG A 22 -4.767 -21.308 -9.428 1.00 0.00 N ATOM 126 CZ ARG A 22 -5.954 -21.904 -9.461 1.00 0.00 C ATOM 127 NH1 ARG A 22 -6.401 -22.452 -10.576 1.00 0.00 N ATOM 128 NH2 ARG A 22 -6.694 -21.948 -8.372 1.00 0.00 N ATOM 0 H ARG A 22 -3.093 -16.963 -8.382 1.00 0.00 H new ATOM 0 HA ARG A 22 -2.036 -19.674 -7.834 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -3.673 -18.842 -9.858 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -2.110 -18.550 -10.595 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.804 -20.739 -10.999 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -2.113 -21.158 -9.326 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.318 -20.572 -11.342 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -3.711 -22.184 -11.017 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.466 -20.899 -8.544 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -5.834 -22.420 -11.423 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -7.314 -22.907 -10.590 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -6.355 -21.525 -7.508 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -7.606 -22.405 -8.393 1.00 0.00 H new ATOM 142 N PHE A 23 -0.428 -17.118 -9.221 1.00 0.00 N ATOM 143 CA PHE A 23 0.899 -16.536 -9.425 1.00 0.00 C ATOM 144 C PHE A 23 0.926 -15.062 -9.006 1.00 0.00 C ATOM 145 O PHE A 23 0.054 -14.284 -9.399 1.00 0.00 O ATOM 146 CB PHE A 23 1.314 -16.668 -10.894 1.00 0.00 C ATOM 147 CG PHE A 23 1.621 -18.080 -11.313 1.00 0.00 C ATOM 148 CD1 PHE A 23 2.905 -18.587 -11.196 1.00 0.00 C ATOM 149 CD2 PHE A 23 0.624 -18.896 -11.823 1.00 0.00 C ATOM 150 CE1 PHE A 23 3.189 -19.883 -11.580 1.00 0.00 C ATOM 151 CE2 PHE A 23 0.904 -20.194 -12.210 1.00 0.00 C ATOM 152 CZ PHE A 23 2.188 -20.687 -12.088 1.00 0.00 C ATOM 0 H PHE A 23 -1.194 -16.554 -9.589 1.00 0.00 H new ATOM 0 HA PHE A 23 1.606 -17.082 -8.801 1.00 0.00 H new ATOM 0 HB2 PHE A 23 0.515 -16.277 -11.524 1.00 0.00 H new ATOM 0 HB3 PHE A 23 2.192 -16.047 -11.071 1.00 0.00 H new ATOM 0 HD1 PHE A 23 3.692 -17.962 -10.800 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -0.382 -18.515 -11.919 1.00 0.00 H new ATOM 0 HE1 PHE A 23 4.194 -20.267 -11.483 1.00 0.00 H new ATOM 0 HE2 PHE A 23 0.119 -20.821 -12.607 1.00 0.00 H new ATOM 0 HZ PHE A 23 2.409 -21.700 -12.390 1.00 0.00 H new ATOM 162 N SER A 24 1.934 -14.691 -8.213 1.00 0.00 N ATOM 163 CA SER A 24 2.099 -13.310 -7.733 1.00 0.00 C ATOM 164 C SER A 24 1.068 -12.948 -6.657 1.00 0.00 C ATOM 165 O SER A 24 0.020 -13.588 -6.534 1.00 0.00 O ATOM 166 CB SER A 24 2.007 -12.319 -8.897 1.00 0.00 C ATOM 167 OG SER A 24 2.749 -11.138 -8.620 1.00 0.00 O ATOM 0 H SER A 24 2.656 -15.332 -7.885 1.00 0.00 H new ATOM 0 HA SER A 24 3.089 -13.245 -7.282 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.385 -12.785 -9.807 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.963 -12.063 -9.080 1.00 0.00 H new ATOM 0 HG SER A 24 2.677 -10.521 -9.378 1.00 0.00 H new ATOM 173 N MET A 25 1.374 -11.909 -5.880 1.00 0.00 N ATOM 174 CA MET A 25 0.478 -11.451 -4.816 1.00 0.00 C ATOM 175 C MET A 25 -0.613 -10.532 -5.379 1.00 0.00 C ATOM 176 O MET A 25 -0.628 -9.327 -5.115 1.00 0.00 O ATOM 177 CB MET A 25 1.278 -10.724 -3.725 1.00 0.00 C ATOM 178 CG MET A 25 1.797 -11.638 -2.626 1.00 0.00 C ATOM 179 SD MET A 25 3.254 -10.966 -1.801 1.00 0.00 S ATOM 180 CE MET A 25 2.844 -11.253 -0.081 1.00 0.00 C ATOM 0 H MET A 25 2.235 -11.368 -5.967 1.00 0.00 H new ATOM 0 HA MET A 25 -0.006 -12.323 -4.376 1.00 0.00 H new ATOM 0 HB2 MET A 25 2.122 -10.213 -4.188 1.00 0.00 H new ATOM 0 HB3 MET A 25 0.647 -9.956 -3.277 1.00 0.00 H new ATOM 0 HG2 MET A 25 1.009 -11.800 -1.890 1.00 0.00 H new ATOM 0 HG3 MET A 25 2.041 -12.611 -3.052 1.00 0.00 H new ATOM 0 HE1 MET A 25 2.694 -10.298 0.422 1.00 0.00 H new ATOM 0 HE2 MET A 25 1.930 -11.843 -0.018 1.00 0.00 H new ATOM 0 HE3 MET A 25 3.658 -11.793 0.402 1.00 0.00 H new ATOM 190 N LEU A 26 -1.527 -11.115 -6.158 1.00 0.00 N ATOM 191 CA LEU A 26 -2.625 -10.358 -6.767 1.00 0.00 C ATOM 192 C LEU A 26 -3.527 -9.719 -5.708 1.00 0.00 C ATOM 193 O LEU A 26 -3.936 -8.566 -5.853 1.00 0.00 O ATOM 194 CB LEU A 26 -3.455 -11.263 -7.682 1.00 0.00 C ATOM 195 CG LEU A 26 -4.418 -10.529 -8.619 1.00 0.00 C ATOM 196 CD1 LEU A 26 -3.978 -10.684 -10.065 1.00 0.00 C ATOM 197 CD2 LEU A 26 -5.835 -11.045 -8.439 1.00 0.00 C ATOM 0 H LEU A 26 -1.529 -12.110 -6.383 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.181 -9.557 -7.359 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.776 -11.866 -8.284 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.029 -11.952 -7.062 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.401 -9.469 -8.365 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.675 -10.156 -10.716 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.979 -10.267 -10.188 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.965 -11.741 -10.330 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.505 -10.511 -9.113 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.866 -12.111 -8.665 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.153 -10.884 -7.409 1.00 0.00 H new ATOM 209 N LEU A 27 -3.829 -10.476 -4.647 1.00 0.00 N ATOM 210 CA LEU A 27 -4.684 -9.992 -3.554 1.00 0.00 C ATOM 211 C LEU A 27 -4.343 -8.546 -3.168 1.00 0.00 C ATOM 212 O LEU A 27 -5.237 -7.743 -2.890 1.00 0.00 O ATOM 213 CB LEU A 27 -4.545 -10.908 -2.330 1.00 0.00 C ATOM 214 CG LEU A 27 -5.863 -11.440 -1.759 1.00 0.00 C ATOM 215 CD1 LEU A 27 -5.599 -12.353 -0.571 1.00 0.00 C ATOM 216 CD2 LEU A 27 -6.775 -10.294 -1.351 1.00 0.00 C ATOM 0 H LEU A 27 -3.493 -11.431 -4.521 1.00 0.00 H new ATOM 0 HA LEU A 27 -5.715 -10.010 -3.906 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.916 -11.756 -2.601 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.022 -10.362 -1.545 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.363 -12.017 -2.537 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.546 -12.722 -0.178 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.985 -13.196 -0.889 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.076 -11.796 0.206 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.705 -10.695 -0.948 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.281 -9.689 -0.591 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.993 -9.675 -2.221 1.00 0.00 H new ATOM 228 N ALA A 28 -3.046 -8.223 -3.164 1.00 0.00 N ATOM 229 CA ALA A 28 -2.579 -6.877 -2.825 1.00 0.00 C ATOM 230 C ALA A 28 -3.361 -5.792 -3.580 1.00 0.00 C ATOM 231 O ALA A 28 -3.668 -4.737 -3.018 1.00 0.00 O ATOM 232 CB ALA A 28 -1.085 -6.762 -3.112 1.00 0.00 C ATOM 0 H ALA A 28 -2.299 -8.879 -3.393 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.755 -6.717 -1.761 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.742 -5.759 -2.858 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.542 -7.493 -2.513 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.902 -6.951 -4.170 1.00 0.00 H new ATOM 238 N LEU A 29 -3.693 -6.067 -4.846 1.00 0.00 N ATOM 239 CA LEU A 29 -4.451 -5.126 -5.677 1.00 0.00 C ATOM 240 C LEU A 29 -5.666 -4.567 -4.931 1.00 0.00 C ATOM 241 O LEU A 29 -5.973 -3.379 -5.039 1.00 0.00 O ATOM 242 CB LEU A 29 -4.899 -5.810 -6.972 1.00 0.00 C ATOM 243 CG LEU A 29 -5.606 -4.901 -7.980 1.00 0.00 C ATOM 244 CD1 LEU A 29 -4.611 -4.332 -8.977 1.00 0.00 C ATOM 245 CD2 LEU A 29 -6.703 -5.663 -8.703 1.00 0.00 C ATOM 0 H LEU A 29 -3.447 -6.937 -5.319 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.794 -4.290 -5.918 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.025 -6.248 -7.453 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.568 -6.632 -6.717 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.059 -4.073 -7.436 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.133 -3.688 -9.685 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.856 -3.751 -8.447 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.129 -5.148 -9.515 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.196 -5.002 -9.416 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.269 -6.510 -9.234 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.433 -6.024 -7.979 1.00 0.00 H new ATOM 257 N ALA A 30 -6.347 -5.426 -4.166 1.00 0.00 N ATOM 258 CA ALA A 30 -7.517 -5.005 -3.396 1.00 0.00 C ATOM 259 C ALA A 30 -7.156 -3.865 -2.443 1.00 0.00 C ATOM 260 O ALA A 30 -7.908 -2.896 -2.306 1.00 0.00 O ATOM 261 CB ALA A 30 -8.101 -6.186 -2.631 1.00 0.00 C ATOM 0 H ALA A 30 -6.108 -6.412 -4.065 1.00 0.00 H new ATOM 0 HA ALA A 30 -8.273 -4.637 -4.090 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.971 -5.857 -2.063 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -8.400 -6.963 -3.334 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -7.351 -6.584 -1.948 1.00 0.00 H new ATOM 267 N LEU A 31 -5.987 -3.973 -1.808 1.00 0.00 N ATOM 268 CA LEU A 31 -5.516 -2.939 -0.894 1.00 0.00 C ATOM 269 C LEU A 31 -5.075 -1.707 -1.678 1.00 0.00 C ATOM 270 O LEU A 31 -5.359 -0.579 -1.280 1.00 0.00 O ATOM 271 CB LEU A 31 -4.368 -3.463 -0.024 1.00 0.00 C ATOM 272 CG LEU A 31 -4.643 -3.464 1.483 1.00 0.00 C ATOM 273 CD1 LEU A 31 -4.813 -2.044 1.998 1.00 0.00 C ATOM 274 CD2 LEU A 31 -5.875 -4.295 1.802 1.00 0.00 C ATOM 0 H LEU A 31 -5.353 -4.765 -1.912 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.338 -2.659 -0.235 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.132 -4.481 -0.335 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.482 -2.858 -0.216 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.786 -3.912 1.985 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.008 -2.067 3.070 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.903 -1.476 1.806 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.651 -1.570 1.487 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.053 -4.283 2.877 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.739 -3.877 1.286 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.717 -5.322 1.472 1.00 0.00 H new ATOM 286 N VAL A 32 -4.409 -1.931 -2.815 1.00 0.00 N ATOM 287 CA VAL A 32 -3.968 -0.829 -3.672 1.00 0.00 C ATOM 288 C VAL A 32 -5.175 0.012 -4.085 1.00 0.00 C ATOM 289 O VAL A 32 -5.176 1.238 -3.936 1.00 0.00 O ATOM 290 CB VAL A 32 -3.242 -1.343 -4.936 1.00 0.00 C ATOM 291 CG1 VAL A 32 -2.835 -0.186 -5.836 1.00 0.00 C ATOM 292 CG2 VAL A 32 -2.023 -2.172 -4.557 1.00 0.00 C ATOM 0 H VAL A 32 -4.165 -2.859 -3.161 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.264 -0.223 -3.102 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.936 -1.978 -5.487 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.326 -0.573 -6.719 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.723 0.366 -6.142 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.164 0.479 -5.293 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.527 -2.524 -5.461 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.332 -1.559 -3.979 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.337 -3.028 -3.959 1.00 0.00 H new ATOM 302 N VAL A 33 -6.215 -0.667 -4.574 1.00 0.00 N ATOM 303 CA VAL A 33 -7.449 -0.004 -4.981 1.00 0.00 C ATOM 304 C VAL A 33 -8.078 0.714 -3.788 1.00 0.00 C ATOM 305 O VAL A 33 -8.400 1.899 -3.867 1.00 0.00 O ATOM 306 CB VAL A 33 -8.465 -1.007 -5.575 1.00 0.00 C ATOM 307 CG1 VAL A 33 -9.803 -0.335 -5.841 1.00 0.00 C ATOM 308 CG2 VAL A 33 -7.918 -1.626 -6.852 1.00 0.00 C ATOM 0 H VAL A 33 -6.224 -1.680 -4.697 1.00 0.00 H new ATOM 0 HA VAL A 33 -7.194 0.721 -5.754 1.00 0.00 H new ATOM 0 HB VAL A 33 -8.624 -1.800 -4.844 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -10.499 -1.063 -6.258 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -10.205 0.057 -4.907 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -9.665 0.483 -6.549 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -8.646 -2.329 -7.256 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.726 -0.841 -7.584 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.989 -2.152 -6.632 1.00 0.00 H new ATOM 318 N LEU A 34 -8.232 -0.011 -2.673 1.00 0.00 N ATOM 319 CA LEU A 34 -8.803 0.565 -1.457 1.00 0.00 C ATOM 320 C LEU A 34 -8.033 1.821 -1.049 1.00 0.00 C ATOM 321 O LEU A 34 -8.632 2.847 -0.735 1.00 0.00 O ATOM 322 CB LEU A 34 -8.789 -0.459 -0.316 1.00 0.00 C ATOM 323 CG LEU A 34 -10.136 -0.665 0.382 1.00 0.00 C ATOM 324 CD1 LEU A 34 -10.066 -1.842 1.339 1.00 0.00 C ATOM 325 CD2 LEU A 34 -10.554 0.595 1.120 1.00 0.00 C ATOM 0 H LEU A 34 -7.969 -0.993 -2.591 1.00 0.00 H new ATOM 0 HA LEU A 34 -9.838 0.840 -1.662 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -8.451 -1.417 -0.711 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -8.056 -0.144 0.427 1.00 0.00 H new ATOM 0 HG LEU A 34 -10.886 -0.883 -0.379 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -11.032 -1.973 1.826 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -9.813 -2.746 0.786 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -9.302 -1.653 2.093 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -11.514 0.429 1.609 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -9.803 0.844 1.869 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -10.646 1.418 0.411 1.00 0.00 H new ATOM 337 N ALA A 35 -6.700 1.737 -1.082 1.00 0.00 N ATOM 338 CA ALA A 35 -5.846 2.873 -0.743 1.00 0.00 C ATOM 339 C ALA A 35 -6.153 4.056 -1.657 1.00 0.00 C ATOM 340 O ALA A 35 -6.401 5.169 -1.187 1.00 0.00 O ATOM 341 CB ALA A 35 -4.377 2.479 -0.842 1.00 0.00 C ATOM 0 H ALA A 35 -6.191 0.892 -1.341 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.050 3.172 0.285 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.753 3.335 -0.587 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.172 1.662 -0.151 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.154 2.158 -1.860 1.00 0.00 H new ATOM 347 N ILE A 36 -6.168 3.797 -2.968 1.00 0.00 N ATOM 348 CA ILE A 36 -6.483 4.832 -3.952 1.00 0.00 C ATOM 349 C ILE A 36 -7.863 5.421 -3.665 1.00 0.00 C ATOM 350 O ILE A 36 -8.045 6.640 -3.679 1.00 0.00 O ATOM 351 CB ILE A 36 -6.447 4.279 -5.396 1.00 0.00 C ATOM 352 CG1 ILE A 36 -5.037 3.799 -5.751 1.00 0.00 C ATOM 353 CG2 ILE A 36 -6.906 5.339 -6.388 1.00 0.00 C ATOM 354 CD1 ILE A 36 -4.987 2.939 -6.997 1.00 0.00 C ATOM 0 H ILE A 36 -5.966 2.881 -3.370 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.723 5.609 -3.869 1.00 0.00 H new ATOM 0 HB ILE A 36 -7.130 3.431 -5.454 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.391 4.666 -5.891 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.633 3.233 -4.912 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.873 4.930 -7.398 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.926 5.641 -6.151 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.247 6.205 -6.326 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.958 2.635 -7.188 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.606 2.054 -6.853 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.361 3.509 -7.848 1.00 0.00 H new ATOM 366 N VAL A 37 -8.828 4.542 -3.376 1.00 0.00 N ATOM 367 CA VAL A 37 -10.190 4.965 -3.054 1.00 0.00 C ATOM 368 C VAL A 37 -10.185 5.870 -1.823 1.00 0.00 C ATOM 369 O VAL A 37 -10.753 6.961 -1.845 1.00 0.00 O ATOM 370 CB VAL A 37 -11.119 3.753 -2.804 1.00 0.00 C ATOM 371 CG1 VAL A 37 -12.475 4.203 -2.277 1.00 0.00 C ATOM 372 CG2 VAL A 37 -11.293 2.940 -4.078 1.00 0.00 C ATOM 0 H VAL A 37 -8.688 3.532 -3.359 1.00 0.00 H new ATOM 0 HA VAL A 37 -10.574 5.517 -3.912 1.00 0.00 H new ATOM 0 HB VAL A 37 -10.651 3.123 -2.048 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -13.108 3.331 -2.110 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -12.341 4.739 -1.338 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -12.948 4.861 -3.006 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -11.949 2.092 -3.882 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -11.733 3.568 -4.853 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -10.322 2.577 -4.413 1.00 0.00 H new ATOM 382 N VAL A 38 -9.517 5.419 -0.756 1.00 0.00 N ATOM 383 CA VAL A 38 -9.413 6.204 0.476 1.00 0.00 C ATOM 384 C VAL A 38 -8.777 7.562 0.181 1.00 0.00 C ATOM 385 O VAL A 38 -9.292 8.603 0.591 1.00 0.00 O ATOM 386 CB VAL A 38 -8.583 5.468 1.552 1.00 0.00 C ATOM 387 CG1 VAL A 38 -8.409 6.337 2.789 1.00 0.00 C ATOM 388 CG2 VAL A 38 -9.235 4.143 1.921 1.00 0.00 C ATOM 0 H VAL A 38 -9.042 4.517 -0.722 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.422 6.345 0.863 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.597 5.263 1.136 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.822 5.798 3.533 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.893 7.258 2.517 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -9.387 6.578 3.205 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.635 3.641 2.680 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.236 4.326 2.313 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -9.302 3.511 1.035 1.00 0.00 H new ATOM 398 N GLN A 39 -7.665 7.535 -0.557 1.00 0.00 N ATOM 399 CA GLN A 39 -6.959 8.756 -0.943 1.00 0.00 C ATOM 400 C GLN A 39 -7.912 9.691 -1.694 1.00 0.00 C ATOM 401 O GLN A 39 -8.085 10.851 -1.315 1.00 0.00 O ATOM 402 CB GLN A 39 -5.734 8.397 -1.800 1.00 0.00 C ATOM 403 CG GLN A 39 -5.405 9.399 -2.901 1.00 0.00 C ATOM 404 CD GLN A 39 -4.327 8.889 -3.840 1.00 0.00 C ATOM 405 OE1 GLN A 39 -4.528 7.915 -4.562 1.00 0.00 O ATOM 406 NE2 GLN A 39 -3.176 9.544 -3.835 1.00 0.00 N ATOM 0 H GLN A 39 -7.234 6.677 -0.900 1.00 0.00 H new ATOM 0 HA GLN A 39 -6.609 9.277 -0.052 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -4.867 8.300 -1.146 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.901 7.421 -2.255 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -6.307 9.618 -3.472 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -5.078 10.336 -2.451 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -3.049 10.348 -3.220 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -2.416 9.244 -4.446 1.00 0.00 H new ATOM 415 N MET A 40 -8.553 9.163 -2.741 1.00 0.00 N ATOM 416 CA MET A 40 -9.515 9.935 -3.527 1.00 0.00 C ATOM 417 C MET A 40 -10.626 10.473 -2.625 1.00 0.00 C ATOM 418 O MET A 40 -11.037 11.630 -2.746 1.00 0.00 O ATOM 419 CB MET A 40 -10.110 9.066 -4.640 1.00 0.00 C ATOM 420 CG MET A 40 -9.162 8.827 -5.804 1.00 0.00 C ATOM 421 SD MET A 40 -10.008 8.812 -7.396 1.00 0.00 S ATOM 422 CE MET A 40 -10.489 10.531 -7.539 1.00 0.00 C ATOM 0 H MET A 40 -8.422 8.204 -3.062 1.00 0.00 H new ATOM 0 HA MET A 40 -8.996 10.778 -3.982 1.00 0.00 H new ATOM 0 HB2 MET A 40 -10.404 8.104 -4.220 1.00 0.00 H new ATOM 0 HB3 MET A 40 -11.017 9.541 -5.014 1.00 0.00 H new ATOM 0 HG2 MET A 40 -8.397 9.604 -5.810 1.00 0.00 H new ATOM 0 HG3 MET A 40 -8.649 7.876 -5.660 1.00 0.00 H new ATOM 0 HE1 MET A 40 -10.626 10.784 -8.590 1.00 0.00 H new ATOM 0 HE2 MET A 40 -11.424 10.693 -7.002 1.00 0.00 H new ATOM 0 HE3 MET A 40 -9.711 11.163 -7.112 1.00 0.00 H new ATOM 432 N ALA A 41 -11.088 9.626 -1.698 1.00 0.00 N ATOM 433 CA ALA A 41 -12.127 10.011 -0.749 1.00 0.00 C ATOM 434 C ALA A 41 -11.671 11.227 0.051 1.00 0.00 C ATOM 435 O ALA A 41 -12.397 12.216 0.157 1.00 0.00 O ATOM 436 CB ALA A 41 -12.462 8.845 0.173 1.00 0.00 C ATOM 0 H ALA A 41 -10.755 8.668 -1.589 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.031 10.276 -1.297 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -13.239 9.148 0.875 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.818 8.003 -0.420 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.570 8.549 0.725 1.00 0.00 H new ATOM 442 N VAL A 42 -10.446 11.155 0.581 1.00 0.00 N ATOM 443 CA VAL A 42 -9.870 12.266 1.338 1.00 0.00 C ATOM 444 C VAL A 42 -9.870 13.527 0.474 1.00 0.00 C ATOM 445 O VAL A 42 -10.306 14.595 0.914 1.00 0.00 O ATOM 446 CB VAL A 42 -8.427 11.957 1.795 1.00 0.00 C ATOM 447 CG1 VAL A 42 -7.768 13.193 2.390 1.00 0.00 C ATOM 448 CG2 VAL A 42 -8.417 10.814 2.800 1.00 0.00 C ATOM 0 H VAL A 42 -9.837 10.341 0.499 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.481 12.418 2.228 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.854 11.654 0.919 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.753 12.949 2.704 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.736 13.984 1.641 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -8.343 13.532 3.252 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.392 10.611 3.110 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -9.012 11.090 3.671 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.840 9.921 2.340 1.00 0.00 H new ATOM 458 N THR A 43 -9.408 13.379 -0.771 1.00 0.00 N ATOM 459 CA THR A 43 -9.378 14.490 -1.725 1.00 0.00 C ATOM 460 C THR A 43 -10.774 15.088 -1.880 1.00 0.00 C ATOM 461 O THR A 43 -10.958 16.297 -1.743 1.00 0.00 O ATOM 462 CB THR A 43 -8.858 14.014 -3.085 1.00 0.00 C ATOM 463 OG1 THR A 43 -7.567 13.444 -2.955 1.00 0.00 O ATOM 464 CG2 THR A 43 -8.765 15.116 -4.117 1.00 0.00 C ATOM 0 H THR A 43 -9.049 12.499 -1.142 1.00 0.00 H new ATOM 0 HA THR A 43 -8.704 15.257 -1.343 1.00 0.00 H new ATOM 0 HB THR A 43 -9.587 13.280 -3.428 1.00 0.00 H new ATOM 0 HG1 THR A 43 -7.639 12.565 -2.528 1.00 0.00 H new ATOM 0 HG21 THR A 43 -8.390 14.706 -5.054 1.00 0.00 H new ATOM 0 HG22 THR A 43 -9.753 15.547 -4.279 1.00 0.00 H new ATOM 0 HG23 THR A 43 -8.085 15.891 -3.762 1.00 0.00 H new ATOM 472 N MET A 44 -11.761 14.227 -2.147 1.00 0.00 N ATOM 473 CA MET A 44 -13.148 14.667 -2.299 1.00 0.00 C ATOM 474 C MET A 44 -13.640 15.356 -1.022 1.00 0.00 C ATOM 475 O MET A 44 -14.292 16.398 -1.084 1.00 0.00 O ATOM 476 CB MET A 44 -14.051 13.476 -2.639 1.00 0.00 C ATOM 477 CG MET A 44 -15.454 13.875 -3.070 1.00 0.00 C ATOM 478 SD MET A 44 -15.516 14.468 -4.771 1.00 0.00 S ATOM 479 CE MET A 44 -16.133 13.015 -5.617 1.00 0.00 C ATOM 0 H MET A 44 -11.624 13.223 -2.262 1.00 0.00 H new ATOM 0 HA MET A 44 -13.191 15.385 -3.118 1.00 0.00 H new ATOM 0 HB2 MET A 44 -13.587 12.896 -3.436 1.00 0.00 H new ATOM 0 HB3 MET A 44 -14.120 12.824 -1.769 1.00 0.00 H new ATOM 0 HG2 MET A 44 -16.120 13.019 -2.963 1.00 0.00 H new ATOM 0 HG3 MET A 44 -15.827 14.653 -2.404 1.00 0.00 H new ATOM 0 HE1 MET A 44 -16.226 13.226 -6.682 1.00 0.00 H new ATOM 0 HE2 MET A 44 -15.440 12.187 -5.470 1.00 0.00 H new ATOM 0 HE3 MET A 44 -17.110 12.747 -5.214 1.00 0.00 H new ATOM 489 N VAL A 45 -13.310 14.771 0.130 1.00 0.00 N ATOM 490 CA VAL A 45 -13.702 15.335 1.423 1.00 0.00 C ATOM 491 C VAL A 45 -13.074 16.717 1.626 1.00 0.00 C ATOM 492 O VAL A 45 -13.736 17.644 2.094 1.00 0.00 O ATOM 493 CB VAL A 45 -13.294 14.402 2.589 1.00 0.00 C ATOM 494 CG1 VAL A 45 -13.367 15.129 3.925 1.00 0.00 C ATOM 495 CG2 VAL A 45 -14.173 13.159 2.615 1.00 0.00 C ATOM 0 H VAL A 45 -12.772 13.907 0.195 1.00 0.00 H new ATOM 0 HA VAL A 45 -14.788 15.434 1.420 1.00 0.00 H new ATOM 0 HB VAL A 45 -12.261 14.095 2.425 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -13.075 14.449 4.726 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -12.692 15.984 3.911 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -14.387 15.474 4.096 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -13.870 12.516 3.442 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -15.214 13.453 2.746 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -14.065 12.617 1.676 1.00 0.00 H new ATOM 505 N LEU A 46 -11.795 16.846 1.267 1.00 0.00 N ATOM 506 CA LEU A 46 -11.078 18.116 1.405 1.00 0.00 C ATOM 507 C LEU A 46 -11.515 19.117 0.331 1.00 0.00 C ATOM 508 O LEU A 46 -11.993 20.208 0.647 1.00 0.00 O ATOM 509 CB LEU A 46 -9.562 17.884 1.325 1.00 0.00 C ATOM 510 CG LEU A 46 -8.798 18.068 2.638 1.00 0.00 C ATOM 511 CD1 LEU A 46 -8.965 19.485 3.165 1.00 0.00 C ATOM 512 CD2 LEU A 46 -9.264 17.056 3.673 1.00 0.00 C ATOM 0 H LEU A 46 -11.235 16.087 0.879 1.00 0.00 H new ATOM 0 HA LEU A 46 -11.323 18.536 2.381 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -9.385 16.872 0.961 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.146 18.567 0.584 1.00 0.00 H new ATOM 0 HG LEU A 46 -7.739 17.899 2.442 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -8.414 19.593 4.099 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -8.580 20.194 2.432 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.022 19.685 3.342 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -8.710 17.202 4.600 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -10.329 17.193 3.862 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.088 16.047 3.300 1.00 0.00 H new ATOM 524 N HIS A 47 -11.346 18.733 -0.938 1.00 0.00 N ATOM 525 CA HIS A 47 -11.714 19.584 -2.072 1.00 0.00 C ATOM 526 C HIS A 47 -11.071 20.977 -1.974 1.00 0.00 C ATOM 527 O HIS A 47 -11.731 21.997 -2.186 1.00 0.00 O ATOM 528 CB HIS A 47 -13.243 19.699 -2.171 1.00 0.00 C ATOM 529 CG HIS A 47 -13.807 19.094 -3.418 1.00 0.00 C ATOM 530 ND1 HIS A 47 -14.598 18.012 -3.598 1.00 0.00 N flip ATOM 531 CD2 HIS A 47 -13.565 19.602 -4.675 1.00 0.00 C flip ATOM 532 CE1 HIS A 47 -14.819 17.886 -4.948 1.00 0.00 C flip ATOM 533 NE2 HIS A 47 -14.186 18.859 -5.576 1.00 0.00 N flip ATOM 0 H HIS A 47 -10.953 17.831 -1.206 1.00 0.00 H new ATOM 0 HA HIS A 47 -11.332 19.115 -2.979 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -13.693 19.213 -1.305 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -13.524 20.751 -2.128 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -14.963 17.402 -2.866 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -12.962 20.472 -4.891 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -15.413 17.117 -5.418 1.00 0.00 H new ATOM 542 N GLY A 48 -9.770 21.009 -1.666 1.00 0.00 N ATOM 543 CA GLY A 48 -9.054 22.276 -1.558 1.00 0.00 C ATOM 544 C GLY A 48 -8.527 22.558 -0.158 1.00 0.00 C ATOM 545 O GLY A 48 -8.506 21.670 0.699 1.00 0.00 O ATOM 0 H GLY A 48 -9.201 20.181 -1.490 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -8.219 22.273 -2.258 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.718 23.086 -1.858 1.00 0.00 H new ATOM 549 N GLN A 49 -8.097 23.804 0.069 1.00 0.00 N ATOM 550 CA GLN A 49 -7.558 24.232 1.369 1.00 0.00 C ATOM 551 C GLN A 49 -6.230 23.534 1.689 1.00 0.00 C ATOM 552 O GLN A 49 -5.177 24.173 1.717 1.00 0.00 O ATOM 553 CB GLN A 49 -8.580 23.974 2.484 1.00 0.00 C ATOM 554 CG GLN A 49 -8.720 25.130 3.467 1.00 0.00 C ATOM 555 CD GLN A 49 -7.890 24.945 4.724 1.00 0.00 C ATOM 556 OE1 GLN A 49 -7.039 25.770 5.045 1.00 0.00 O ATOM 557 NE2 GLN A 49 -8.133 23.860 5.446 1.00 0.00 N ATOM 0 H GLN A 49 -8.111 24.541 -0.636 1.00 0.00 H new ATOM 0 HA GLN A 49 -7.363 25.303 1.309 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -9.552 23.772 2.034 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.289 23.077 3.031 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -8.422 26.056 2.975 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -9.769 25.239 3.744 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -8.848 23.198 5.146 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -7.605 23.688 6.301 1.00 0.00 H new ATOM 566 N VAL A 50 -6.287 22.223 1.922 1.00 0.00 N ATOM 567 CA VAL A 50 -5.093 21.437 2.235 1.00 0.00 C ATOM 568 C VAL A 50 -5.094 20.113 1.467 1.00 0.00 C ATOM 569 O VAL A 50 -5.778 19.160 1.850 1.00 0.00 O ATOM 570 CB VAL A 50 -4.982 21.153 3.750 1.00 0.00 C ATOM 571 CG1 VAL A 50 -3.745 20.321 4.056 1.00 0.00 C ATOM 572 CG2 VAL A 50 -4.955 22.453 4.539 1.00 0.00 C ATOM 0 H VAL A 50 -7.151 21.681 1.900 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.231 22.029 1.929 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.861 20.583 4.052 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.688 20.134 5.128 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.805 19.371 3.525 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.855 20.861 3.734 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.877 22.231 5.603 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.097 23.049 4.228 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.872 23.012 4.351 1.00 0.00 H new ATOM 582 N GLU A 51 -4.329 20.066 0.377 1.00 0.00 N ATOM 583 CA GLU A 51 -4.245 18.864 -0.453 1.00 0.00 C ATOM 584 C GLU A 51 -2.855 18.717 -1.074 1.00 0.00 C ATOM 585 O GLU A 51 -2.094 17.819 -0.708 1.00 0.00 O ATOM 586 CB GLU A 51 -5.313 18.907 -1.551 1.00 0.00 C ATOM 587 CG GLU A 51 -6.386 17.840 -1.403 1.00 0.00 C ATOM 588 CD GLU A 51 -7.587 18.095 -2.288 1.00 0.00 C ATOM 589 OE1 GLU A 51 -7.501 17.818 -3.500 1.00 0.00 O ATOM 590 OE2 GLU A 51 -8.615 18.576 -1.766 1.00 0.00 O ATOM 0 H GLU A 51 -3.759 20.845 0.048 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.422 17.998 0.185 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -5.787 19.889 -1.547 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -4.829 18.791 -2.521 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -5.961 16.866 -1.646 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.709 17.796 -0.363 1.00 0.00 H new ATOM 597 N SER A 52 -2.530 19.602 -2.015 1.00 0.00 N ATOM 598 CA SER A 52 -1.233 19.574 -2.689 1.00 0.00 C ATOM 599 C SER A 52 -0.665 20.990 -2.828 1.00 0.00 C ATOM 600 O SER A 52 -0.759 21.606 -3.894 1.00 0.00 O ATOM 601 CB SER A 52 -1.370 18.908 -4.067 1.00 0.00 C ATOM 602 OG SER A 52 -2.094 19.733 -4.972 1.00 0.00 O ATOM 0 H SER A 52 -3.149 20.349 -2.329 1.00 0.00 H new ATOM 0 HA SER A 52 -0.539 18.989 -2.085 1.00 0.00 H new ATOM 0 HB2 SER A 52 -0.380 18.701 -4.473 1.00 0.00 H new ATOM 0 HB3 SER A 52 -1.877 17.949 -3.961 1.00 0.00 H new ATOM 0 HG SER A 52 -1.632 20.591 -5.073 1.00 0.00 H new ATOM 608 N ILE A 53 -0.090 21.504 -1.741 1.00 0.00 N ATOM 609 CA ILE A 53 0.479 22.852 -1.735 1.00 0.00 C ATOM 610 C ILE A 53 1.717 22.940 -0.827 1.00 0.00 C ATOM 611 O ILE A 53 2.102 21.954 -0.195 1.00 0.00 O ATOM 612 CB ILE A 53 -0.583 23.890 -1.290 1.00 0.00 C ATOM 613 CG1 ILE A 53 -0.353 25.233 -1.985 1.00 0.00 C ATOM 614 CG2 ILE A 53 -0.584 24.068 0.225 1.00 0.00 C ATOM 615 CD1 ILE A 53 -1.625 25.879 -2.487 1.00 0.00 C ATOM 0 H ILE A 53 -0.006 21.008 -0.854 1.00 0.00 H new ATOM 0 HA ILE A 53 0.793 23.079 -2.754 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.561 23.509 -1.585 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.140 25.913 -1.290 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.327 25.087 -2.825 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.340 24.802 0.505 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.810 23.115 0.703 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.397 24.414 0.551 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.386 26.827 -2.968 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.109 25.219 -3.206 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.298 26.057 -1.648 1.00 0.00 H new ATOM 627 N ASP A 54 2.331 24.128 -0.777 1.00 0.00 N ATOM 628 CA ASP A 54 3.523 24.363 0.042 1.00 0.00 C ATOM 629 C ASP A 54 4.729 23.570 -0.481 1.00 0.00 C ATOM 630 O ASP A 54 4.671 22.962 -1.552 1.00 0.00 O ATOM 631 CB ASP A 54 3.238 24.014 1.511 1.00 0.00 C ATOM 632 CG ASP A 54 3.926 24.961 2.474 1.00 0.00 C ATOM 633 OD1 ASP A 54 5.175 24.968 2.505 1.00 0.00 O ATOM 634 OD2 ASP A 54 3.218 25.693 3.192 1.00 0.00 O ATOM 0 H ASP A 54 2.018 24.946 -1.299 1.00 0.00 H new ATOM 0 HA ASP A 54 3.773 25.422 -0.024 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.162 24.041 1.686 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.568 22.994 1.710 1.00 0.00 H new ATOM 639 N VAL A 55 5.827 23.588 0.275 1.00 0.00 N ATOM 640 CA VAL A 55 7.047 22.878 -0.118 1.00 0.00 C ATOM 641 C VAL A 55 6.951 21.383 0.206 1.00 0.00 C ATOM 642 O VAL A 55 7.671 20.870 1.065 1.00 0.00 O ATOM 643 CB VAL A 55 8.296 23.479 0.570 1.00 0.00 C ATOM 644 CG1 VAL A 55 9.572 22.928 -0.051 1.00 0.00 C ATOM 645 CG2 VAL A 55 8.282 24.999 0.488 1.00 0.00 C ATOM 0 H VAL A 55 5.898 24.086 1.162 1.00 0.00 H new ATOM 0 HA VAL A 55 7.150 22.998 -1.197 1.00 0.00 H new ATOM 0 HB VAL A 55 8.271 23.191 1.621 1.00 0.00 H new ATOM 0 HG11 VAL A 55 10.437 23.364 0.448 1.00 0.00 H new ATOM 0 HG12 VAL A 55 9.594 21.844 0.065 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.599 23.180 -1.111 1.00 0.00 H new ATOM 0 HG21 VAL A 55 9.170 25.398 0.978 1.00 0.00 H new ATOM 0 HG22 VAL A 55 8.276 25.307 -0.558 1.00 0.00 H new ATOM 0 HG23 VAL A 55 7.390 25.382 0.984 1.00 0.00 H new ATOM 655 N ILE A 56 6.052 20.685 -0.490 1.00 0.00 N ATOM 656 CA ILE A 56 5.858 19.248 -0.274 1.00 0.00 C ATOM 657 C ILE A 56 6.551 18.402 -1.354 1.00 0.00 C ATOM 658 O ILE A 56 7.133 17.360 -1.050 1.00 0.00 O ATOM 659 CB ILE A 56 4.353 18.887 -0.209 1.00 0.00 C ATOM 660 CG1 ILE A 56 4.160 17.523 0.454 1.00 0.00 C ATOM 661 CG2 ILE A 56 3.721 18.898 -1.595 1.00 0.00 C ATOM 662 CD1 ILE A 56 4.198 17.574 1.966 1.00 0.00 C ATOM 0 H ILE A 56 5.448 21.089 -1.206 1.00 0.00 H new ATOM 0 HA ILE A 56 6.319 19.014 0.686 1.00 0.00 H new ATOM 0 HB ILE A 56 3.852 19.645 0.393 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.204 17.106 0.137 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.937 16.844 0.102 1.00 0.00 H new ATOM 0 HG21 ILE A 56 2.665 18.641 -1.515 1.00 0.00 H new ATOM 0 HG22 ILE A 56 3.820 19.891 -2.032 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.225 18.170 -2.230 1.00 0.00 H new ATOM 0 HD11 ILE A 56 4.054 16.571 2.368 1.00 0.00 H new ATOM 0 HD12 ILE A 56 5.163 17.961 2.293 1.00 0.00 H new ATOM 0 HD13 ILE A 56 3.404 18.227 2.328 1.00 0.00 H new ATOM 674 N ARG A 57 6.483 18.854 -2.612 1.00 0.00 N ATOM 675 CA ARG A 57 7.102 18.138 -3.735 1.00 0.00 C ATOM 676 C ARG A 57 6.534 16.718 -3.879 1.00 0.00 C ATOM 677 O ARG A 57 7.154 15.743 -3.444 1.00 0.00 O ATOM 678 CB ARG A 57 8.626 18.091 -3.566 1.00 0.00 C ATOM 679 CG ARG A 57 9.359 19.205 -4.303 1.00 0.00 C ATOM 680 CD ARG A 57 9.962 18.707 -5.607 1.00 0.00 C ATOM 681 NE ARG A 57 10.589 19.790 -6.372 1.00 0.00 N ATOM 682 CZ ARG A 57 11.244 19.617 -7.514 1.00 0.00 C ATOM 683 NH1 ARG A 57 11.358 18.414 -8.042 1.00 0.00 N ATOM 684 NH2 ARG A 57 11.786 20.652 -8.129 1.00 0.00 N ATOM 0 H ARG A 57 6.004 19.714 -2.879 1.00 0.00 H new ATOM 0 HA ARG A 57 6.866 18.684 -4.648 1.00 0.00 H new ATOM 0 HB2 ARG A 57 8.867 18.150 -2.505 1.00 0.00 H new ATOM 0 HB3 ARG A 57 8.993 17.129 -3.923 1.00 0.00 H new ATOM 0 HG2 ARG A 57 8.668 20.022 -4.509 1.00 0.00 H new ATOM 0 HG3 ARG A 57 10.147 19.607 -3.666 1.00 0.00 H new ATOM 0 HD2 ARG A 57 10.704 17.938 -5.393 1.00 0.00 H new ATOM 0 HD3 ARG A 57 9.184 18.240 -6.211 1.00 0.00 H new ATOM 0 HE ARG A 57 10.517 20.738 -6.003 1.00 0.00 H new ATOM 0 HH11 ARG A 57 10.942 17.610 -7.573 1.00 0.00 H new ATOM 0 HH12 ARG A 57 11.862 18.288 -8.920 1.00 0.00 H new ATOM 0 HH21 ARG A 57 11.702 21.586 -7.727 1.00 0.00 H new ATOM 0 HH22 ARG A 57 12.289 20.518 -9.006 1.00 0.00 H new ATOM 698 N SER A 58 5.345 16.623 -4.495 1.00 0.00 N ATOM 699 CA SER A 58 4.643 15.343 -4.720 1.00 0.00 C ATOM 700 C SER A 58 5.599 14.149 -4.844 1.00 0.00 C ATOM 701 O SER A 58 5.408 13.126 -4.182 1.00 0.00 O ATOM 702 CB SER A 58 3.774 15.441 -5.978 1.00 0.00 C ATOM 703 OG SER A 58 3.358 14.157 -6.419 1.00 0.00 O ATOM 0 H SER A 58 4.839 17.433 -4.853 1.00 0.00 H new ATOM 0 HA SER A 58 4.021 15.165 -3.843 1.00 0.00 H new ATOM 0 HB2 SER A 58 2.899 16.058 -5.771 1.00 0.00 H new ATOM 0 HB3 SER A 58 4.333 15.937 -6.771 1.00 0.00 H new ATOM 0 HG SER A 58 2.804 14.251 -7.222 1.00 0.00 H new ATOM 709 N ILE A 59 6.625 14.289 -5.690 1.00 0.00 N ATOM 710 CA ILE A 59 7.618 13.226 -5.902 1.00 0.00 C ATOM 711 C ILE A 59 8.061 12.588 -4.579 1.00 0.00 C ATOM 712 O ILE A 59 8.304 11.380 -4.519 1.00 0.00 O ATOM 713 CB ILE A 59 8.865 13.759 -6.651 1.00 0.00 C ATOM 714 CG1 ILE A 59 8.486 14.239 -8.057 1.00 0.00 C ATOM 715 CG2 ILE A 59 9.944 12.688 -6.732 1.00 0.00 C ATOM 716 CD1 ILE A 59 7.939 13.145 -8.950 1.00 0.00 C ATOM 0 H ILE A 59 6.791 15.131 -6.242 1.00 0.00 H new ATOM 0 HA ILE A 59 7.130 12.466 -6.512 1.00 0.00 H new ATOM 0 HB ILE A 59 9.261 14.606 -6.090 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.742 15.031 -7.972 1.00 0.00 H new ATOM 0 HG13 ILE A 59 9.365 14.676 -8.531 1.00 0.00 H new ATOM 0 HG21 ILE A 59 10.810 13.084 -7.262 1.00 0.00 H new ATOM 0 HG22 ILE A 59 10.239 12.391 -5.725 1.00 0.00 H new ATOM 0 HG23 ILE A 59 9.557 11.821 -7.267 1.00 0.00 H new ATOM 0 HD11 ILE A 59 7.694 13.561 -9.927 1.00 0.00 H new ATOM 0 HD12 ILE A 59 8.688 12.362 -9.067 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.041 12.723 -8.500 1.00 0.00 H new ATOM 728 N PHE A 60 8.145 13.401 -3.519 1.00 0.00 N ATOM 729 CA PHE A 60 8.542 12.914 -2.195 1.00 0.00 C ATOM 730 C PHE A 60 7.779 11.641 -1.823 1.00 0.00 C ATOM 731 O PHE A 60 8.328 10.756 -1.163 1.00 0.00 O ATOM 732 CB PHE A 60 8.306 13.993 -1.133 1.00 0.00 C ATOM 733 CG PHE A 60 9.269 13.920 0.018 1.00 0.00 C ATOM 734 CD1 PHE A 60 9.013 13.095 1.101 1.00 0.00 C ATOM 735 CD2 PHE A 60 10.430 14.673 0.015 1.00 0.00 C ATOM 736 CE1 PHE A 60 9.897 13.024 2.160 1.00 0.00 C ATOM 737 CE2 PHE A 60 11.318 14.607 1.070 1.00 0.00 C ATOM 738 CZ PHE A 60 11.052 13.780 2.144 1.00 0.00 C ATOM 0 H PHE A 60 7.943 14.400 -3.554 1.00 0.00 H new ATOM 0 HA PHE A 60 9.606 12.678 -2.233 1.00 0.00 H new ATOM 0 HB2 PHE A 60 8.384 14.975 -1.600 1.00 0.00 H new ATOM 0 HB3 PHE A 60 7.289 13.901 -0.752 1.00 0.00 H new ATOM 0 HD1 PHE A 60 8.112 12.500 1.118 1.00 0.00 H new ATOM 0 HD2 PHE A 60 10.644 15.320 -0.823 1.00 0.00 H new ATOM 0 HE1 PHE A 60 9.685 12.378 2.999 1.00 0.00 H new ATOM 0 HE2 PHE A 60 12.220 15.201 1.056 1.00 0.00 H new ATOM 0 HZ PHE A 60 11.746 13.725 2.970 1.00 0.00 H new ATOM 748 N PHE A 61 6.518 11.547 -2.265 1.00 0.00 N ATOM 749 CA PHE A 61 5.687 10.373 -1.995 1.00 0.00 C ATOM 750 C PHE A 61 6.468 9.083 -2.248 1.00 0.00 C ATOM 751 O PHE A 61 6.346 8.122 -1.488 1.00 0.00 O ATOM 752 CB PHE A 61 4.423 10.399 -2.858 1.00 0.00 C ATOM 753 CG PHE A 61 3.224 9.803 -2.178 1.00 0.00 C ATOM 754 CD1 PHE A 61 3.148 8.439 -1.949 1.00 0.00 C ATOM 755 CD2 PHE A 61 2.175 10.608 -1.767 1.00 0.00 C ATOM 756 CE1 PHE A 61 2.046 7.889 -1.322 1.00 0.00 C ATOM 757 CE2 PHE A 61 1.069 10.063 -1.141 1.00 0.00 C ATOM 758 CZ PHE A 61 1.006 8.702 -0.918 1.00 0.00 C ATOM 0 H PHE A 61 6.053 12.272 -2.811 1.00 0.00 H new ATOM 0 HA PHE A 61 5.396 10.401 -0.945 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.201 11.430 -3.132 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.613 9.857 -3.784 1.00 0.00 H new ATOM 0 HD1 PHE A 61 3.959 7.798 -2.264 1.00 0.00 H new ATOM 0 HD2 PHE A 61 2.221 11.673 -1.937 1.00 0.00 H new ATOM 0 HE1 PHE A 61 1.998 6.824 -1.148 1.00 0.00 H new ATOM 0 HE2 PHE A 61 0.256 10.701 -0.827 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.144 8.274 -0.428 1.00 0.00 H new ATOM 768 N GLY A 62 7.285 9.078 -3.307 1.00 0.00 N ATOM 769 CA GLY A 62 8.097 7.911 -3.631 1.00 0.00 C ATOM 770 C GLY A 62 8.819 7.358 -2.416 1.00 0.00 C ATOM 771 O GLY A 62 8.828 6.151 -2.194 1.00 0.00 O ATOM 0 H GLY A 62 7.398 9.864 -3.947 1.00 0.00 H new ATOM 0 HA2 GLY A 62 7.461 7.135 -4.057 1.00 0.00 H new ATOM 0 HA3 GLY A 62 8.827 8.180 -4.394 1.00 0.00 H new ATOM 775 N LEU A 63 9.398 8.248 -1.607 1.00 0.00 N ATOM 776 CA LEU A 63 10.096 7.840 -0.388 1.00 0.00 C ATOM 777 C LEU A 63 9.157 7.036 0.512 1.00 0.00 C ATOM 778 O LEU A 63 9.549 6.020 1.095 1.00 0.00 O ATOM 779 CB LEU A 63 10.625 9.069 0.363 1.00 0.00 C ATOM 780 CG LEU A 63 11.873 9.714 -0.243 1.00 0.00 C ATOM 781 CD1 LEU A 63 11.521 11.022 -0.931 1.00 0.00 C ATOM 782 CD2 LEU A 63 12.925 9.948 0.830 1.00 0.00 C ATOM 0 H LEU A 63 9.397 9.254 -1.774 1.00 0.00 H new ATOM 0 HA LEU A 63 10.942 7.212 -0.665 1.00 0.00 H new ATOM 0 HB2 LEU A 63 9.833 9.817 0.407 1.00 0.00 H new ATOM 0 HB3 LEU A 63 10.847 8.780 1.390 1.00 0.00 H new ATOM 0 HG LEU A 63 12.282 9.032 -0.989 1.00 0.00 H new ATOM 0 HD11 LEU A 63 12.423 11.464 -1.355 1.00 0.00 H new ATOM 0 HD12 LEU A 63 10.801 10.832 -1.727 1.00 0.00 H new ATOM 0 HD13 LEU A 63 11.087 11.709 -0.205 1.00 0.00 H new ATOM 0 HD21 LEU A 63 13.806 10.407 0.382 1.00 0.00 H new ATOM 0 HD22 LEU A 63 12.522 10.609 1.597 1.00 0.00 H new ATOM 0 HD23 LEU A 63 13.202 8.995 1.281 1.00 0.00 H new ATOM 794 N LEU A 64 7.900 7.484 0.591 1.00 0.00 N ATOM 795 CA LEU A 64 6.881 6.804 1.386 1.00 0.00 C ATOM 796 C LEU A 64 6.704 5.356 0.926 1.00 0.00 C ATOM 797 O LEU A 64 6.324 4.490 1.718 1.00 0.00 O ATOM 798 CB LEU A 64 5.545 7.550 1.288 1.00 0.00 C ATOM 799 CG LEU A 64 4.651 7.450 2.521 1.00 0.00 C ATOM 800 CD1 LEU A 64 5.117 8.416 3.597 1.00 0.00 C ATOM 801 CD2 LEU A 64 3.202 7.726 2.151 1.00 0.00 C ATOM 0 H LEU A 64 7.566 8.319 0.110 1.00 0.00 H new ATOM 0 HA LEU A 64 7.212 6.798 2.425 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.749 8.603 1.092 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.995 7.166 0.429 1.00 0.00 H new ATOM 0 HG LEU A 64 4.720 6.436 2.915 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.468 8.331 4.468 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.141 8.176 3.883 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.077 9.435 3.213 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.578 7.651 3.042 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.118 8.729 1.733 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.870 6.996 1.413 1.00 0.00 H new ATOM 813 N ILE A 65 6.993 5.096 -0.354 1.00 0.00 N ATOM 814 CA ILE A 65 6.874 3.749 -0.906 1.00 0.00 C ATOM 815 C ILE A 65 7.723 2.749 -0.119 1.00 0.00 C ATOM 816 O ILE A 65 7.372 1.576 -0.036 1.00 0.00 O ATOM 817 CB ILE A 65 7.262 3.703 -2.406 1.00 0.00 C ATOM 818 CG1 ILE A 65 6.344 2.739 -3.160 1.00 0.00 C ATOM 819 CG2 ILE A 65 8.720 3.300 -2.596 1.00 0.00 C ATOM 820 CD1 ILE A 65 5.067 3.380 -3.653 1.00 0.00 C ATOM 0 H ILE A 65 7.309 5.799 -1.022 1.00 0.00 H new ATOM 0 HA ILE A 65 5.825 3.466 -0.817 1.00 0.00 H new ATOM 0 HB ILE A 65 7.139 4.707 -2.813 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.885 2.326 -4.011 1.00 0.00 H new ATOM 0 HG13 ILE A 65 6.093 1.904 -2.506 1.00 0.00 H new ATOM 0 HG21 ILE A 65 8.956 3.278 -3.660 1.00 0.00 H new ATOM 0 HG22 ILE A 65 9.365 4.022 -2.096 1.00 0.00 H new ATOM 0 HG23 ILE A 65 8.883 2.311 -2.168 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.466 2.637 -4.178 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.504 3.769 -2.805 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.309 4.197 -4.333 1.00 0.00 H new ATOM 832 N THR A 66 8.833 3.213 0.471 1.00 0.00 N ATOM 833 CA THR A 66 9.698 2.330 1.257 1.00 0.00 C ATOM 834 C THR A 66 8.923 1.745 2.443 1.00 0.00 C ATOM 835 O THR A 66 8.656 0.541 2.477 1.00 0.00 O ATOM 836 CB THR A 66 10.955 3.072 1.732 1.00 0.00 C ATOM 837 OG1 THR A 66 11.866 3.244 0.662 1.00 0.00 O ATOM 838 CG2 THR A 66 11.698 2.364 2.846 1.00 0.00 C ATOM 0 H THR A 66 9.148 4.182 0.419 1.00 0.00 H new ATOM 0 HA THR A 66 10.022 1.508 0.619 1.00 0.00 H new ATOM 0 HB THR A 66 10.592 4.027 2.112 1.00 0.00 H new ATOM 0 HG1 THR A 66 12.660 3.720 0.982 1.00 0.00 H new ATOM 0 HG21 THR A 66 12.574 2.948 3.128 1.00 0.00 H new ATOM 0 HG22 THR A 66 11.041 2.255 3.709 1.00 0.00 H new ATOM 0 HG23 THR A 66 12.014 1.379 2.504 1.00 0.00 H new ATOM 846 N PRO A 67 8.518 2.586 3.422 1.00 0.00 N ATOM 847 CA PRO A 67 7.746 2.115 4.579 1.00 0.00 C ATOM 848 C PRO A 67 6.393 1.543 4.155 1.00 0.00 C ATOM 849 O PRO A 67 5.957 0.514 4.671 1.00 0.00 O ATOM 850 CB PRO A 67 7.564 3.374 5.436 1.00 0.00 C ATOM 851 CG PRO A 67 7.751 4.512 4.493 1.00 0.00 C ATOM 852 CD PRO A 67 8.747 4.042 3.472 1.00 0.00 C ATOM 0 HA PRO A 67 8.249 1.308 5.112 1.00 0.00 H new ATOM 0 HB2 PRO A 67 6.576 3.400 5.895 1.00 0.00 H new ATOM 0 HB3 PRO A 67 8.292 3.409 6.246 1.00 0.00 H new ATOM 0 HG2 PRO A 67 6.808 4.787 4.021 1.00 0.00 H new ATOM 0 HG3 PRO A 67 8.115 5.396 5.016 1.00 0.00 H new ATOM 0 HD2 PRO A 67 8.580 4.509 2.502 1.00 0.00 H new ATOM 0 HD3 PRO A 67 9.769 4.279 3.768 1.00 0.00 H new ATOM 860 N TRP A 68 5.745 2.213 3.192 1.00 0.00 N ATOM 861 CA TRP A 68 4.449 1.771 2.675 1.00 0.00 C ATOM 862 C TRP A 68 4.547 0.348 2.128 1.00 0.00 C ATOM 863 O TRP A 68 3.777 -0.526 2.521 1.00 0.00 O ATOM 864 CB TRP A 68 3.965 2.727 1.578 1.00 0.00 C ATOM 865 CG TRP A 68 2.488 2.657 1.323 1.00 0.00 C ATOM 866 CD1 TRP A 68 1.852 1.889 0.390 1.00 0.00 C ATOM 867 CD2 TRP A 68 1.464 3.389 2.008 1.00 0.00 C ATOM 868 NE1 TRP A 68 0.495 2.103 0.450 1.00 0.00 N ATOM 869 CE2 TRP A 68 0.233 3.017 1.435 1.00 0.00 C ATOM 870 CE3 TRP A 68 1.471 4.322 3.049 1.00 0.00 C ATOM 871 CZ2 TRP A 68 -0.979 3.548 1.871 1.00 0.00 C ATOM 872 CZ3 TRP A 68 0.267 4.847 3.480 1.00 0.00 C ATOM 873 CH2 TRP A 68 -0.943 4.459 2.892 1.00 0.00 C ATOM 0 H TRP A 68 6.101 3.064 2.757 1.00 0.00 H new ATOM 0 HA TRP A 68 3.729 1.778 3.493 1.00 0.00 H new ATOM 0 HB2 TRP A 68 4.228 3.747 1.856 1.00 0.00 H new ATOM 0 HB3 TRP A 68 4.495 2.502 0.653 1.00 0.00 H new ATOM 0 HD1 TRP A 68 2.343 1.213 -0.294 1.00 0.00 H new ATOM 0 HE1 TRP A 68 -0.203 1.654 -0.143 1.00 0.00 H new ATOM 0 HE3 TRP A 68 2.400 4.627 3.508 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -1.914 3.251 1.419 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 0.260 5.568 4.284 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -1.867 4.887 3.251 1.00 0.00 H new ATOM 884 N ALA A 69 5.512 0.122 1.235 1.00 0.00 N ATOM 885 CA ALA A 69 5.726 -1.199 0.648 1.00 0.00 C ATOM 886 C ALA A 69 6.063 -2.222 1.728 1.00 0.00 C ATOM 887 O ALA A 69 5.549 -3.336 1.708 1.00 0.00 O ATOM 888 CB ALA A 69 6.829 -1.147 -0.401 1.00 0.00 C ATOM 0 H ALA A 69 6.158 0.838 0.903 1.00 0.00 H new ATOM 0 HA ALA A 69 4.801 -1.509 0.161 1.00 0.00 H new ATOM 0 HB1 ALA A 69 6.974 -2.140 -0.826 1.00 0.00 H new ATOM 0 HB2 ALA A 69 6.547 -0.451 -1.191 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.757 -0.813 0.063 1.00 0.00 H new ATOM 894 N VAL A 70 6.921 -1.838 2.673 1.00 0.00 N ATOM 895 CA VAL A 70 7.307 -2.732 3.763 1.00 0.00 C ATOM 896 C VAL A 70 6.083 -3.129 4.595 1.00 0.00 C ATOM 897 O VAL A 70 5.755 -4.313 4.706 1.00 0.00 O ATOM 898 CB VAL A 70 8.371 -2.082 4.681 1.00 0.00 C ATOM 899 CG1 VAL A 70 8.528 -2.865 5.978 1.00 0.00 C ATOM 900 CG2 VAL A 70 9.706 -1.982 3.959 1.00 0.00 C ATOM 0 H VAL A 70 7.360 -0.918 2.705 1.00 0.00 H new ATOM 0 HA VAL A 70 7.741 -3.624 3.312 1.00 0.00 H new ATOM 0 HB VAL A 70 8.031 -1.077 4.931 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.281 -2.386 6.603 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.576 -2.885 6.508 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.839 -3.885 5.752 1.00 0.00 H new ATOM 0 HG21 VAL A 70 10.443 -1.523 4.618 1.00 0.00 H new ATOM 0 HG22 VAL A 70 10.043 -2.980 3.677 1.00 0.00 H new ATOM 0 HG23 VAL A 70 9.590 -1.372 3.063 1.00 0.00 H new ATOM 910 N TYR A 71 5.406 -2.131 5.166 1.00 0.00 N ATOM 911 CA TYR A 71 4.213 -2.371 5.978 1.00 0.00 C ATOM 912 C TYR A 71 3.140 -3.102 5.170 1.00 0.00 C ATOM 913 O TYR A 71 2.581 -4.100 5.627 1.00 0.00 O ATOM 914 CB TYR A 71 3.664 -1.047 6.517 1.00 0.00 C ATOM 915 CG TYR A 71 4.310 -0.608 7.813 1.00 0.00 C ATOM 916 CD1 TYR A 71 3.898 -1.134 9.030 1.00 0.00 C ATOM 917 CD2 TYR A 71 5.334 0.331 7.817 1.00 0.00 C ATOM 918 CE1 TYR A 71 4.488 -0.736 10.215 1.00 0.00 C ATOM 919 CE2 TYR A 71 5.928 0.733 8.998 1.00 0.00 C ATOM 920 CZ TYR A 71 5.501 0.197 10.194 1.00 0.00 C ATOM 921 OH TYR A 71 6.092 0.594 11.370 1.00 0.00 O ATOM 0 H TYR A 71 5.664 -1.148 5.081 1.00 0.00 H new ATOM 0 HA TYR A 71 4.494 -3.004 6.819 1.00 0.00 H new ATOM 0 HB2 TYR A 71 3.810 -0.270 5.766 1.00 0.00 H new ATOM 0 HB3 TYR A 71 2.589 -1.144 6.671 1.00 0.00 H new ATOM 0 HD1 TYR A 71 3.104 -1.866 9.051 1.00 0.00 H new ATOM 0 HD2 TYR A 71 5.671 0.753 6.882 1.00 0.00 H new ATOM 0 HE1 TYR A 71 4.156 -1.155 11.153 1.00 0.00 H new ATOM 0 HE2 TYR A 71 6.723 1.464 8.984 1.00 0.00 H new ATOM 0 HH TYR A 71 6.789 1.256 11.179 1.00 0.00 H new ATOM 931 N PHE A 72 2.863 -2.603 3.963 1.00 0.00 N ATOM 932 CA PHE A 72 1.866 -3.216 3.087 1.00 0.00 C ATOM 933 C PHE A 72 2.232 -4.666 2.784 1.00 0.00 C ATOM 934 O PHE A 72 1.406 -5.558 2.931 1.00 0.00 O ATOM 935 CB PHE A 72 1.723 -2.422 1.784 1.00 0.00 C ATOM 936 CG PHE A 72 0.708 -2.994 0.830 1.00 0.00 C ATOM 937 CD1 PHE A 72 -0.452 -3.594 1.302 1.00 0.00 C ATOM 938 CD2 PHE A 72 0.915 -2.932 -0.538 1.00 0.00 C ATOM 939 CE1 PHE A 72 -1.381 -4.119 0.426 1.00 0.00 C ATOM 940 CE2 PHE A 72 -0.013 -3.456 -1.418 1.00 0.00 C ATOM 941 CZ PHE A 72 -1.162 -4.051 -0.936 1.00 0.00 C ATOM 0 H PHE A 72 3.315 -1.777 3.572 1.00 0.00 H new ATOM 0 HA PHE A 72 0.908 -3.201 3.607 1.00 0.00 H new ATOM 0 HB2 PHE A 72 1.444 -1.396 2.024 1.00 0.00 H new ATOM 0 HB3 PHE A 72 2.692 -2.381 1.287 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -0.629 -3.651 2.366 1.00 0.00 H new ATOM 0 HD2 PHE A 72 1.812 -2.469 -0.922 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -2.279 -4.583 0.806 1.00 0.00 H new ATOM 0 HE2 PHE A 72 0.161 -3.400 -2.483 1.00 0.00 H new ATOM 0 HZ PHE A 72 -1.888 -4.462 -1.622 1.00 0.00 H new ATOM 951 N LEU A 73 3.483 -4.893 2.379 1.00 0.00 N ATOM 952 CA LEU A 73 3.964 -6.242 2.078 1.00 0.00 C ATOM 953 C LEU A 73 3.694 -7.173 3.257 1.00 0.00 C ATOM 954 O LEU A 73 3.160 -8.271 3.083 1.00 0.00 O ATOM 955 CB LEU A 73 5.461 -6.213 1.753 1.00 0.00 C ATOM 956 CG LEU A 73 6.036 -7.516 1.195 1.00 0.00 C ATOM 957 CD1 LEU A 73 6.853 -7.245 -0.057 1.00 0.00 C ATOM 958 CD2 LEU A 73 6.885 -8.215 2.244 1.00 0.00 C ATOM 0 H LEU A 73 4.181 -4.160 2.252 1.00 0.00 H new ATOM 0 HA LEU A 73 3.428 -6.618 1.207 1.00 0.00 H new ATOM 0 HB2 LEU A 73 5.644 -5.417 1.032 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.007 -5.953 2.660 1.00 0.00 H new ATOM 0 HG LEU A 73 5.207 -8.172 0.929 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.254 -8.183 -0.440 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.217 -6.786 -0.814 1.00 0.00 H new ATOM 0 HD13 LEU A 73 7.675 -6.571 0.184 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.286 -9.140 1.830 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.707 -7.563 2.540 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.271 -8.443 3.115 1.00 0.00 H new ATOM 970 N SER A 74 4.044 -6.714 4.462 1.00 0.00 N ATOM 971 CA SER A 74 3.814 -7.491 5.679 1.00 0.00 C ATOM 972 C SER A 74 2.326 -7.813 5.822 1.00 0.00 C ATOM 973 O SER A 74 1.946 -8.970 6.025 1.00 0.00 O ATOM 974 CB SER A 74 4.312 -6.723 6.908 1.00 0.00 C ATOM 975 OG SER A 74 4.966 -7.590 7.821 1.00 0.00 O ATOM 0 H SER A 74 4.487 -5.809 4.619 1.00 0.00 H new ATOM 0 HA SER A 74 4.372 -8.425 5.607 1.00 0.00 H new ATOM 0 HB2 SER A 74 4.997 -5.935 6.595 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.471 -6.237 7.402 1.00 0.00 H new ATOM 0 HG SER A 74 5.276 -7.076 8.596 1.00 0.00 H new ATOM 981 N VAL A 75 1.485 -6.784 5.684 1.00 0.00 N ATOM 982 CA VAL A 75 0.034 -6.961 5.766 1.00 0.00 C ATOM 983 C VAL A 75 -0.435 -7.971 4.716 1.00 0.00 C ATOM 984 O VAL A 75 -1.191 -8.892 5.025 1.00 0.00 O ATOM 985 CB VAL A 75 -0.716 -5.624 5.569 1.00 0.00 C ATOM 986 CG1 VAL A 75 -2.215 -5.855 5.433 1.00 0.00 C ATOM 987 CG2 VAL A 75 -0.432 -4.675 6.723 1.00 0.00 C ATOM 0 H VAL A 75 1.783 -5.823 5.516 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.195 -7.335 6.764 1.00 0.00 H new ATOM 0 HB VAL A 75 -0.354 -5.169 4.647 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.720 -4.899 5.295 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.408 -6.494 4.571 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -2.592 -6.338 6.335 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -0.969 -3.740 6.565 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.761 -5.130 7.657 1.00 0.00 H new ATOM 0 HG23 VAL A 75 0.638 -4.475 6.774 1.00 0.00 H new ATOM 997 N VAL A 76 0.043 -7.807 3.480 1.00 0.00 N ATOM 998 CA VAL A 76 -0.302 -8.718 2.385 1.00 0.00 C ATOM 999 C VAL A 76 0.021 -10.158 2.777 1.00 0.00 C ATOM 1000 O VAL A 76 -0.758 -11.074 2.509 1.00 0.00 O ATOM 1001 CB VAL A 76 0.450 -8.363 1.079 1.00 0.00 C ATOM 1002 CG1 VAL A 76 0.120 -9.358 -0.023 1.00 0.00 C ATOM 1003 CG2 VAL A 76 0.118 -6.949 0.626 1.00 0.00 C ATOM 0 H VAL A 76 0.672 -7.050 3.212 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.371 -8.612 2.201 1.00 0.00 H new ATOM 0 HB VAL A 76 1.519 -8.416 1.286 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.660 -9.088 -0.931 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.415 -10.359 0.291 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.952 -9.341 -0.220 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.659 -6.725 -0.293 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.954 -6.867 0.445 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.410 -6.241 1.401 1.00 0.00 H new ATOM 1013 N VAL A 77 1.167 -10.348 3.430 1.00 0.00 N ATOM 1014 CA VAL A 77 1.583 -11.674 3.880 1.00 0.00 C ATOM 1015 C VAL A 77 0.625 -12.201 4.954 1.00 0.00 C ATOM 1016 O VAL A 77 0.225 -13.365 4.916 1.00 0.00 O ATOM 1017 CB VAL A 77 3.027 -11.658 4.434 1.00 0.00 C ATOM 1018 CG1 VAL A 77 3.359 -12.974 5.122 1.00 0.00 C ATOM 1019 CG2 VAL A 77 4.023 -11.377 3.320 1.00 0.00 C ATOM 0 H VAL A 77 1.823 -9.601 3.659 1.00 0.00 H new ATOM 0 HA VAL A 77 1.556 -12.336 3.014 1.00 0.00 H new ATOM 0 HB VAL A 77 3.097 -10.860 5.173 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.380 -12.938 5.503 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.668 -13.136 5.949 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.267 -13.792 4.407 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.033 -11.370 3.729 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.945 -12.153 2.558 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.805 -10.407 2.873 1.00 0.00 H new ATOM 1029 N GLU A 78 0.255 -11.336 5.903 1.00 0.00 N ATOM 1030 CA GLU A 78 -0.663 -11.719 6.980 1.00 0.00 C ATOM 1031 C GLU A 78 -2.104 -11.853 6.470 1.00 0.00 C ATOM 1032 O GLU A 78 -2.840 -12.740 6.908 1.00 0.00 O ATOM 1033 CB GLU A 78 -0.603 -10.705 8.128 1.00 0.00 C ATOM 1034 CG GLU A 78 -0.630 -11.351 9.510 1.00 0.00 C ATOM 1035 CD GLU A 78 -1.256 -10.466 10.573 1.00 0.00 C ATOM 1036 OE1 GLU A 78 -0.851 -9.292 10.687 1.00 0.00 O ATOM 1037 OE2 GLU A 78 -2.152 -10.951 11.301 1.00 0.00 O ATOM 0 H GLU A 78 0.576 -10.369 5.948 1.00 0.00 H new ATOM 0 HA GLU A 78 -0.344 -12.693 7.351 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.306 -10.111 8.031 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -1.444 -10.018 8.040 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -1.184 -12.288 9.455 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.389 -11.600 9.807 1.00 0.00 H new ATOM 1044 N GLN A 79 -2.501 -10.974 5.542 1.00 0.00 N ATOM 1045 CA GLN A 79 -3.852 -11.002 4.971 1.00 0.00 C ATOM 1046 C GLN A 79 -4.075 -12.273 4.139 1.00 0.00 C ATOM 1047 O GLN A 79 -4.159 -12.220 2.910 1.00 0.00 O ATOM 1048 CB GLN A 79 -4.096 -9.750 4.109 1.00 0.00 C ATOM 1049 CG GLN A 79 -5.552 -9.298 4.101 1.00 0.00 C ATOM 1050 CD GLN A 79 -6.235 -9.496 2.759 1.00 0.00 C ATOM 1051 OE1 GLN A 79 -7.095 -10.362 2.607 1.00 0.00 O ATOM 1052 NE2 GLN A 79 -5.867 -8.682 1.779 1.00 0.00 N ATOM 0 H GLN A 79 -1.905 -10.234 5.171 1.00 0.00 H new ATOM 0 HA GLN A 79 -4.566 -11.007 5.795 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -3.472 -8.936 4.478 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -3.781 -9.955 3.086 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.101 -9.849 4.865 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -5.599 -8.244 4.373 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -5.150 -7.976 1.945 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -6.301 -8.762 0.860 1.00 0.00 H new ATOM 1061 N LEU A 80 -4.163 -13.414 4.823 1.00 0.00 N ATOM 1062 CA LEU A 80 -4.368 -14.708 4.165 1.00 0.00 C ATOM 1063 C LEU A 80 -5.644 -14.711 3.317 1.00 0.00 C ATOM 1064 O LEU A 80 -5.591 -14.951 2.107 1.00 0.00 O ATOM 1065 CB LEU A 80 -4.429 -15.825 5.216 1.00 0.00 C ATOM 1066 CG LEU A 80 -4.530 -17.245 4.658 1.00 0.00 C ATOM 1067 CD1 LEU A 80 -3.197 -17.965 4.777 1.00 0.00 C ATOM 1068 CD2 LEU A 80 -5.619 -18.025 5.380 1.00 0.00 C ATOM 0 H LEU A 80 -4.095 -13.470 5.839 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.525 -14.884 3.497 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.539 -15.761 5.842 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.287 -15.645 5.863 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.792 -17.179 3.602 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.291 -18.974 4.374 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.438 -17.420 4.217 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.905 -18.019 5.826 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -5.677 -19.033 4.970 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.384 -18.078 6.443 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.577 -17.523 5.245 1.00 0.00 H new ATOM 1080 N GLU A 81 -6.782 -14.446 3.962 1.00 0.00 N ATOM 1081 CA GLU A 81 -8.077 -14.419 3.280 1.00 0.00 C ATOM 1082 C GLU A 81 -9.096 -13.601 4.082 1.00 0.00 C ATOM 1083 O GLU A 81 -9.815 -14.145 4.925 1.00 0.00 O ATOM 1084 CB GLU A 81 -8.589 -15.849 3.066 1.00 0.00 C ATOM 1085 CG GLU A 81 -8.912 -16.175 1.615 1.00 0.00 C ATOM 1086 CD GLU A 81 -9.571 -17.527 1.453 1.00 0.00 C ATOM 1087 OE1 GLU A 81 -8.839 -18.532 1.314 1.00 0.00 O ATOM 1088 OE2 GLU A 81 -10.816 -17.586 1.461 1.00 0.00 O ATOM 0 H GLU A 81 -6.832 -14.246 4.961 1.00 0.00 H new ATOM 0 HA GLU A 81 -7.947 -13.942 2.309 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -7.839 -16.552 3.428 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -9.484 -15.999 3.670 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -9.569 -15.405 1.211 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -7.994 -16.150 1.028 1.00 0.00 H new ATOM 1095 N GLU A 82 -9.133 -12.288 3.822 1.00 0.00 N ATOM 1096 CA GLU A 82 -10.043 -11.368 4.520 1.00 0.00 C ATOM 1097 C GLU A 82 -9.530 -11.050 5.931 1.00 0.00 C ATOM 1098 O GLU A 82 -8.711 -11.787 6.485 1.00 0.00 O ATOM 1099 CB GLU A 82 -11.467 -11.940 4.586 1.00 0.00 C ATOM 1100 CG GLU A 82 -12.495 -10.952 5.126 1.00 0.00 C ATOM 1101 CD GLU A 82 -13.923 -11.356 4.827 1.00 0.00 C ATOM 1102 OE1 GLU A 82 -14.404 -12.332 5.440 1.00 0.00 O ATOM 1103 OE2 GLU A 82 -14.564 -10.687 3.990 1.00 0.00 O ATOM 0 H GLU A 82 -8.539 -11.835 3.128 1.00 0.00 H new ATOM 0 HA GLU A 82 -10.074 -10.441 3.948 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -11.769 -12.257 3.588 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -11.464 -12.830 5.216 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -12.369 -10.859 6.205 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -12.305 -9.968 4.697 1.00 0.00 H new ATOM 1110 N SER A 83 -10.010 -9.937 6.496 1.00 0.00 N ATOM 1111 CA SER A 83 -9.602 -9.496 7.835 1.00 0.00 C ATOM 1112 C SER A 83 -8.183 -8.929 7.813 1.00 0.00 C ATOM 1113 O SER A 83 -7.329 -9.395 7.056 1.00 0.00 O ATOM 1114 CB SER A 83 -9.702 -10.641 8.848 1.00 0.00 C ATOM 1115 OG SER A 83 -10.878 -10.521 9.633 1.00 0.00 O ATOM 0 H SER A 83 -10.686 -9.321 6.044 1.00 0.00 H new ATOM 0 HA SER A 83 -10.285 -8.706 8.145 1.00 0.00 H new ATOM 0 HB2 SER A 83 -9.706 -11.597 8.324 1.00 0.00 H new ATOM 0 HB3 SER A 83 -8.825 -10.636 9.496 1.00 0.00 H new ATOM 0 HG SER A 83 -10.922 -11.263 10.272 1.00 0.00 H new ATOM 1121 N ARG A 84 -7.943 -7.907 8.632 1.00 0.00 N ATOM 1122 CA ARG A 84 -6.632 -7.259 8.695 1.00 0.00 C ATOM 1123 C ARG A 84 -6.320 -6.563 7.368 1.00 0.00 C ATOM 1124 O ARG A 84 -5.290 -6.816 6.737 1.00 0.00 O ATOM 1125 CB ARG A 84 -5.547 -8.286 9.031 1.00 0.00 C ATOM 1126 CG ARG A 84 -4.359 -7.690 9.764 1.00 0.00 C ATOM 1127 CD ARG A 84 -3.877 -8.607 10.872 1.00 0.00 C ATOM 1128 NE ARG A 84 -4.684 -8.474 12.087 1.00 0.00 N ATOM 1129 CZ ARG A 84 -4.489 -9.181 13.190 1.00 0.00 C ATOM 1130 NH1 ARG A 84 -3.566 -10.121 13.232 1.00 0.00 N ATOM 1131 NH2 ARG A 84 -5.242 -8.958 14.247 1.00 0.00 N ATOM 0 H ARG A 84 -8.639 -7.509 9.262 1.00 0.00 H new ATOM 0 HA ARG A 84 -6.651 -6.507 9.484 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -5.982 -9.077 9.642 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -5.199 -8.751 8.109 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -3.547 -7.510 9.059 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -4.636 -6.723 10.184 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -3.910 -9.640 10.527 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -2.836 -8.381 11.102 1.00 0.00 H new ATOM 0 HE ARG A 84 -5.444 -7.794 12.084 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -2.993 -10.310 12.410 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -3.425 -10.659 14.087 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -5.970 -8.244 14.213 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -5.097 -9.499 15.100 1.00 0.00 H new ATOM 1145 N GLN A 85 -7.231 -5.691 6.945 1.00 0.00 N ATOM 1146 CA GLN A 85 -7.082 -4.961 5.688 1.00 0.00 C ATOM 1147 C GLN A 85 -6.192 -3.720 5.834 1.00 0.00 C ATOM 1148 O GLN A 85 -5.457 -3.374 4.909 1.00 0.00 O ATOM 1149 CB GLN A 85 -8.461 -4.555 5.153 1.00 0.00 C ATOM 1150 CG GLN A 85 -9.052 -5.549 4.158 1.00 0.00 C ATOM 1151 CD GLN A 85 -9.190 -6.947 4.731 1.00 0.00 C ATOM 1152 OE1 GLN A 85 -10.053 -7.208 5.563 1.00 0.00 O ATOM 1153 NE2 GLN A 85 -8.340 -7.857 4.283 1.00 0.00 N ATOM 0 H GLN A 85 -8.085 -5.471 7.457 1.00 0.00 H new ATOM 0 HA GLN A 85 -6.591 -5.630 4.981 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -9.148 -4.443 5.992 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.382 -3.579 4.674 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -10.032 -5.195 3.837 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.420 -5.586 3.271 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -7.636 -7.600 3.591 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -8.389 -8.815 4.630 1.00 0.00 H new ATOM 1162 N ARG A 86 -6.267 -3.037 6.978 1.00 0.00 N ATOM 1163 CA ARG A 86 -5.463 -1.829 7.187 1.00 0.00 C ATOM 1164 C ARG A 86 -4.179 -2.118 7.962 1.00 0.00 C ATOM 1165 O ARG A 86 -3.085 -1.773 7.503 1.00 0.00 O ATOM 1166 CB ARG A 86 -6.281 -0.754 7.913 1.00 0.00 C ATOM 1167 CG ARG A 86 -5.953 0.664 7.466 1.00 0.00 C ATOM 1168 CD ARG A 86 -4.535 1.070 7.849 1.00 0.00 C ATOM 1169 NE ARG A 86 -3.889 1.862 6.796 1.00 0.00 N ATOM 1170 CZ ARG A 86 -2.987 1.396 5.932 1.00 0.00 C ATOM 1171 NH1 ARG A 86 -2.576 0.140 5.973 1.00 0.00 N ATOM 1172 NH2 ARG A 86 -2.478 2.203 5.025 1.00 0.00 N ATOM 0 H ARG A 86 -6.866 -3.293 7.763 1.00 0.00 H new ATOM 0 HA ARG A 86 -5.179 -1.462 6.201 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -7.342 -0.942 7.748 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -6.106 -0.838 8.986 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -6.072 0.740 6.385 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -6.663 1.359 7.915 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -4.560 1.647 8.774 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.942 0.177 8.046 1.00 0.00 H new ATOM 0 HE ARG A 86 -4.150 2.845 6.719 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -2.950 -0.496 6.677 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -1.885 -0.193 5.301 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.774 3.178 4.986 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.787 1.853 4.361 1.00 0.00 H new ATOM 1186 N LEU A 87 -4.315 -2.728 9.137 1.00 0.00 N ATOM 1187 CA LEU A 87 -3.164 -3.054 9.987 1.00 0.00 C ATOM 1188 C LEU A 87 -3.515 -4.209 10.920 1.00 0.00 C ATOM 1189 O LEU A 87 -3.029 -5.324 10.749 1.00 0.00 O ATOM 1190 CB LEU A 87 -2.729 -1.823 10.794 1.00 0.00 C ATOM 1191 CG LEU A 87 -1.226 -1.544 10.790 1.00 0.00 C ATOM 1192 CD1 LEU A 87 -0.933 -0.221 10.106 1.00 0.00 C ATOM 1193 CD2 LEU A 87 -0.679 -1.537 12.208 1.00 0.00 C ATOM 0 H LEU A 87 -5.215 -3.009 9.527 1.00 0.00 H new ATOM 0 HA LEU A 87 -2.332 -3.358 9.352 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.246 -0.948 10.400 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.057 -1.950 11.826 1.00 0.00 H new ATOM 0 HG LEU A 87 -0.732 -2.340 10.233 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.142 -0.038 10.112 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -1.289 -0.257 9.076 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.441 0.584 10.638 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.392 -1.337 12.184 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.180 -0.762 12.787 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.856 -2.508 12.671 1.00 0.00 H new ATOM 1205 N SER A 88 -4.391 -3.935 11.883 1.00 0.00 N ATOM 1206 CA SER A 88 -4.855 -4.954 12.823 1.00 0.00 C ATOM 1207 C SER A 88 -6.185 -5.523 12.331 1.00 0.00 C ATOM 1208 O SER A 88 -6.439 -6.729 12.435 1.00 0.00 O ATOM 1209 CB SER A 88 -5.017 -4.368 14.228 1.00 0.00 C ATOM 1210 OG SER A 88 -3.888 -4.657 15.036 1.00 0.00 O ATOM 0 H SER A 88 -4.796 -3.011 12.034 1.00 0.00 H new ATOM 0 HA SER A 88 -4.113 -5.751 12.876 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.153 -3.289 14.161 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.915 -4.775 14.694 1.00 0.00 H new ATOM 0 HG SER A 88 -4.016 -4.270 15.927 1.00 0.00 H new ATOM 1216 N ARG A 89 -7.012 -4.639 11.768 1.00 0.00 N ATOM 1217 CA ARG A 89 -8.311 -5.005 11.217 1.00 0.00 C ATOM 1218 C ARG A 89 -8.359 -4.693 9.718 1.00 0.00 C ATOM 1219 O ARG A 89 -9.119 -5.370 8.995 1.00 0.00 O ATOM 1220 CB ARG A 89 -9.426 -4.246 11.945 1.00 0.00 C ATOM 1221 CG ARG A 89 -10.333 -5.136 12.782 1.00 0.00 C ATOM 1222 CD ARG A 89 -11.686 -5.334 12.115 1.00 0.00 C ATOM 1223 NE ARG A 89 -12.626 -4.255 12.442 1.00 0.00 N ATOM 1224 CZ ARG A 89 -13.214 -4.101 13.625 1.00 0.00 C ATOM 1225 NH1 ARG A 89 -12.936 -4.920 14.622 1.00 0.00 N ATOM 1226 NH2 ARG A 89 -14.070 -3.116 13.810 1.00 0.00 N ATOM 0 H ARG A 89 -6.795 -3.646 11.683 1.00 0.00 H new ATOM 0 HA ARG A 89 -8.460 -6.075 11.359 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -8.977 -3.492 12.591 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -10.031 -3.716 11.210 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -9.856 -6.104 12.934 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -10.473 -4.691 13.767 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -11.553 -5.383 11.034 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -12.108 -6.289 12.428 1.00 0.00 H new ATOM 0 HE ARG A 89 -12.843 -3.577 11.712 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -12.266 -5.677 14.488 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -13.391 -4.795 15.526 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -14.281 -2.473 13.047 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -14.522 -2.997 14.717 1.00 0.00 H new TER 1240 ARG A 89