USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 532 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 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -47:sc= 0.142 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.149 X(o=-0.15,f=-0.15) USER MOD Single : A 46 SER OG : rot 180:sc= 0.151 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HD1:sc= -0.147 X(o=-0.15,f=-0.21) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -13.294 -17.221 -10.548 1.00 0.00 N ATOM 2 CA ALA A 1 -13.966 -18.093 -9.549 1.00 0.00 C ATOM 3 C ALA A 1 -13.847 -17.540 -8.107 1.00 0.00 C ATOM 4 O ALA A 1 -13.632 -18.302 -7.158 1.00 0.00 O ATOM 5 CB ALA A 1 -13.420 -19.534 -9.665 1.00 0.00 C ATOM 0 H1 ALA A 1 -13.401 -17.633 -11.497 1.00 0.00 H new ATOM 0 H2 ALA A 1 -13.727 -16.275 -10.530 1.00 0.00 H new ATOM 0 H3 ALA A 1 -12.283 -17.143 -10.317 1.00 0.00 H new ATOM 0 HA ALA A 1 -15.033 -18.106 -9.771 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -13.915 -20.171 -8.931 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -13.614 -19.917 -10.667 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -12.346 -19.532 -9.479 1.00 0.00 H new ATOM 13 N GLY A 2 -13.971 -16.217 -7.910 1.00 0.00 N ATOM 14 CA GLY A 2 -13.729 -15.514 -6.636 1.00 0.00 C ATOM 15 C GLY A 2 -12.637 -14.437 -6.737 1.00 0.00 C ATOM 16 O GLY A 2 -11.993 -14.284 -7.780 1.00 0.00 O ATOM 0 H GLY A 2 -14.252 -15.584 -8.659 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -14.657 -15.051 -6.302 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -13.444 -16.241 -5.876 1.00 0.00 H new ATOM 20 N HIS A 3 -12.429 -13.687 -5.648 1.00 0.00 N ATOM 21 CA HIS A 3 -11.372 -12.670 -5.484 1.00 0.00 C ATOM 22 C HIS A 3 -11.026 -12.444 -4.001 1.00 0.00 C ATOM 23 O HIS A 3 -11.896 -12.537 -3.131 1.00 0.00 O ATOM 24 CB HIS A 3 -11.823 -11.337 -6.127 1.00 0.00 C ATOM 25 CG HIS A 3 -11.084 -10.994 -7.398 1.00 0.00 C ATOM 26 ND1 HIS A 3 -11.619 -10.979 -8.673 1.00 0.00 N ATOM 27 CD2 HIS A 3 -9.777 -10.598 -7.479 1.00 0.00 C ATOM 28 CE1 HIS A 3 -10.648 -10.579 -9.519 1.00 0.00 C ATOM 29 NE2 HIS A 3 -9.518 -10.347 -8.817 1.00 0.00 N ATOM 0 H HIS A 3 -13.016 -13.773 -4.818 1.00 0.00 H new ATOM 0 HA HIS A 3 -10.475 -13.036 -5.984 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -12.890 -11.390 -6.341 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -11.682 -10.531 -5.407 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -9.081 -10.500 -6.659 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -10.757 -10.463 -10.587 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -8.626 -10.040 -9.205 1.00 0.00 H new ATOM 38 N MET A 4 -9.763 -12.109 -3.725 1.00 0.00 N ATOM 39 CA MET A 4 -9.220 -11.745 -2.406 1.00 0.00 C ATOM 40 C MET A 4 -7.919 -10.933 -2.590 1.00 0.00 C ATOM 41 O MET A 4 -7.119 -11.248 -3.475 1.00 0.00 O ATOM 42 CB MET A 4 -8.958 -13.034 -1.600 1.00 0.00 C ATOM 43 CG MET A 4 -8.483 -12.788 -0.158 1.00 0.00 C ATOM 44 SD MET A 4 -7.027 -13.762 0.314 1.00 0.00 S ATOM 45 CE MET A 4 -6.584 -12.917 1.857 1.00 0.00 C ATOM 0 H MET A 4 -9.049 -12.082 -4.453 1.00 0.00 H new ATOM 0 HA MET A 4 -9.933 -11.127 -1.860 1.00 0.00 H new ATOM 0 HB2 MET A 4 -9.873 -13.625 -1.574 1.00 0.00 H new ATOM 0 HB3 MET A 4 -8.209 -13.630 -2.121 1.00 0.00 H new ATOM 0 HG2 MET A 4 -8.254 -11.729 -0.037 1.00 0.00 H new ATOM 0 HG3 MET A 4 -9.299 -13.018 0.527 1.00 0.00 H new ATOM 0 HE1 MET A 4 -5.701 -13.388 2.289 1.00 0.00 H new ATOM 0 HE2 MET A 4 -6.371 -11.868 1.649 1.00 0.00 H new ATOM 0 HE3 MET A 4 -7.414 -12.986 2.561 1.00 0.00 H new ATOM 55 N LYS A 5 -7.699 -9.904 -1.759 1.00 0.00 N ATOM 56 CA LYS A 5 -6.477 -9.071 -1.709 1.00 0.00 C ATOM 57 C LYS A 5 -5.940 -8.957 -0.273 1.00 0.00 C ATOM 58 O LYS A 5 -6.677 -9.204 0.684 1.00 0.00 O ATOM 59 CB LYS A 5 -6.765 -7.669 -2.297 1.00 0.00 C ATOM 60 CG LYS A 5 -7.358 -7.651 -3.721 1.00 0.00 C ATOM 61 CD LYS A 5 -6.432 -8.244 -4.800 1.00 0.00 C ATOM 62 CE LYS A 5 -5.963 -7.173 -5.794 1.00 0.00 C ATOM 63 NZ LYS A 5 -5.034 -7.745 -6.806 1.00 0.00 N ATOM 0 H LYS A 5 -8.394 -9.613 -1.072 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.709 -9.555 -2.312 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.453 -7.150 -1.630 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.836 -7.099 -2.303 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.296 -8.206 -3.719 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -7.597 -6.622 -3.990 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -5.566 -8.704 -4.324 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -6.957 -9.034 -5.337 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -6.827 -6.736 -6.296 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -5.466 -6.367 -5.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -4.734 -6.997 -7.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -4.200 -8.140 -6.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -5.518 -8.498 -7.335 1.00 0.00 H new ATOM 77 N GLU A 6 -4.673 -8.568 -0.111 1.00 0.00 N ATOM 78 CA GLU A 6 -4.050 -8.354 1.208 1.00 0.00 C ATOM 79 C GLU A 6 -4.423 -6.983 1.801 1.00 0.00 C ATOM 80 O GLU A 6 -5.150 -6.905 2.795 1.00 0.00 O ATOM 81 CB GLU A 6 -2.516 -8.496 1.138 1.00 0.00 C ATOM 82 CG GLU A 6 -2.024 -9.941 0.975 1.00 0.00 C ATOM 83 CD GLU A 6 -2.209 -10.508 -0.447 1.00 0.00 C ATOM 84 OE1 GLU A 6 -1.805 -9.846 -1.432 1.00 0.00 O ATOM 85 OE2 GLU A 6 -2.739 -11.637 -0.585 1.00 0.00 O ATOM 0 H GLU A 6 -4.042 -8.390 -0.893 1.00 0.00 H new ATOM 0 HA GLU A 6 -4.442 -9.129 1.867 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -2.145 -7.902 0.303 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -2.082 -8.077 2.046 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -0.967 -9.987 1.239 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -2.557 -10.578 1.681 1.00 0.00 H new ATOM 92 N PHE A 7 -3.915 -5.899 1.206 1.00 0.00 N ATOM 93 CA PHE A 7 -4.166 -4.517 1.618 1.00 0.00 C ATOM 94 C PHE A 7 -5.345 -3.892 0.852 1.00 0.00 C ATOM 95 O PHE A 7 -5.313 -3.766 -0.375 1.00 0.00 O ATOM 96 CB PHE A 7 -2.873 -3.702 1.465 1.00 0.00 C ATOM 97 CG PHE A 7 -1.941 -3.826 2.658 1.00 0.00 C ATOM 98 CD1 PHE A 7 -2.365 -3.358 3.917 1.00 0.00 C ATOM 99 CD2 PHE A 7 -0.659 -4.393 2.524 1.00 0.00 C ATOM 100 CE1 PHE A 7 -1.516 -3.461 5.032 1.00 0.00 C ATOM 101 CE2 PHE A 7 0.184 -4.495 3.648 1.00 0.00 C ATOM 102 CZ PHE A 7 -0.240 -4.020 4.897 1.00 0.00 C ATOM 0 H PHE A 7 -3.297 -5.963 0.397 1.00 0.00 H new ATOM 0 HA PHE A 7 -4.461 -4.508 2.667 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -2.349 -4.030 0.567 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -3.128 -2.652 1.319 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -3.346 -2.919 4.026 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -0.323 -4.749 1.561 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -1.849 -3.108 5.997 1.00 0.00 H new ATOM 0 HE2 PHE A 7 1.162 -4.942 3.547 1.00 0.00 H new ATOM 0 HZ PHE A 7 0.416 -4.085 5.752 1.00 0.00 H new ATOM 112 N ARG A 8 -6.398 -3.513 1.588 1.00 0.00 N ATOM 113 CA ARG A 8 -7.608 -2.836 1.082 1.00 0.00 C ATOM 114 C ARG A 8 -7.475 -1.303 1.067 1.00 0.00 C ATOM 115 O ARG A 8 -6.677 -0.763 1.835 1.00 0.00 O ATOM 116 CB ARG A 8 -8.812 -3.250 1.952 1.00 0.00 C ATOM 117 CG ARG A 8 -9.584 -4.401 1.297 1.00 0.00 C ATOM 118 CD ARG A 8 -10.854 -4.742 2.090 1.00 0.00 C ATOM 119 NE ARG A 8 -12.050 -4.760 1.222 1.00 0.00 N ATOM 120 CZ ARG A 8 -13.250 -5.224 1.522 1.00 0.00 C ATOM 121 NH1 ARG A 8 -13.510 -5.779 2.672 1.00 0.00 N ATOM 122 NH2 ARG A 8 -14.224 -5.133 0.662 1.00 0.00 N ATOM 0 H ARG A 8 -6.436 -3.675 2.594 1.00 0.00 H new ATOM 0 HA ARG A 8 -7.753 -3.146 0.047 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -8.466 -3.554 2.940 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -9.474 -2.396 2.095 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -9.852 -4.128 0.276 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -8.945 -5.281 1.234 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -10.735 -5.715 2.567 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -10.993 -4.011 2.887 1.00 0.00 H new ATOM 0 HE ARG A 8 -11.936 -4.370 0.286 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -12.775 -5.866 3.374 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -14.448 -6.126 2.870 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -14.062 -4.702 -0.248 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -15.149 -5.493 0.899 1.00 0.00 H new ATOM 136 N PRO A 9 -8.280 -0.581 0.263 1.00 0.00 N ATOM 137 CA PRO A 9 -8.290 0.879 0.251 1.00 0.00 C ATOM 138 C PRO A 9 -8.892 1.448 1.544 1.00 0.00 C ATOM 139 O PRO A 9 -9.889 0.934 2.061 1.00 0.00 O ATOM 140 CB PRO A 9 -9.106 1.271 -0.982 1.00 0.00 C ATOM 141 CG PRO A 9 -10.086 0.109 -1.135 1.00 0.00 C ATOM 142 CD PRO A 9 -9.268 -1.098 -0.676 1.00 0.00 C ATOM 0 HA PRO A 9 -7.281 1.289 0.202 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.624 2.219 -0.837 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -8.475 1.384 -1.863 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -10.976 0.249 -0.522 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.423 -0.001 -2.166 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.906 -1.843 -0.200 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -8.784 -1.586 -1.522 1.00 0.00 H new ATOM 150 N GLY A 10 -8.269 2.489 2.100 1.00 0.00 N ATOM 151 CA GLY A 10 -8.728 3.155 3.328 1.00 0.00 C ATOM 152 C GLY A 10 -8.249 2.490 4.626 1.00 0.00 C ATOM 153 O GLY A 10 -8.365 3.091 5.695 1.00 0.00 O ATOM 0 H GLY A 10 -7.422 2.900 1.708 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -8.385 4.190 3.316 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.818 3.180 3.328 1.00 0.00 H new ATOM 157 N ASP A 11 -7.714 1.264 4.558 1.00 0.00 N ATOM 158 CA ASP A 11 -7.133 0.564 5.708 1.00 0.00 C ATOM 159 C ASP A 11 -5.953 1.362 6.281 1.00 0.00 C ATOM 160 O ASP A 11 -5.094 1.860 5.544 1.00 0.00 O ATOM 161 CB ASP A 11 -6.704 -0.870 5.336 1.00 0.00 C ATOM 162 CG ASP A 11 -7.449 -1.913 6.183 1.00 0.00 C ATOM 163 OD1 ASP A 11 -8.548 -2.357 5.773 1.00 0.00 O ATOM 164 OD2 ASP A 11 -6.941 -2.280 7.269 1.00 0.00 O ATOM 0 H ASP A 11 -7.673 0.725 3.693 1.00 0.00 H new ATOM 0 HA ASP A 11 -7.901 0.485 6.478 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -6.902 -1.048 4.279 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -5.629 -0.980 5.482 1.00 0.00 H new ATOM 169 N LYS A 12 -5.926 1.499 7.608 1.00 0.00 N ATOM 170 CA LYS A 12 -4.881 2.202 8.360 1.00 0.00 C ATOM 171 C LYS A 12 -3.577 1.400 8.294 1.00 0.00 C ATOM 172 O LYS A 12 -3.508 0.299 8.842 1.00 0.00 O ATOM 173 CB LYS A 12 -5.389 2.438 9.803 1.00 0.00 C ATOM 174 CG LYS A 12 -5.216 3.893 10.272 1.00 0.00 C ATOM 175 CD LYS A 12 -6.228 4.265 11.376 1.00 0.00 C ATOM 176 CE LYS A 12 -7.334 5.173 10.812 1.00 0.00 C ATOM 177 NZ LYS A 12 -8.479 5.318 11.749 1.00 0.00 N ATOM 0 H LYS A 12 -6.653 1.112 8.209 1.00 0.00 H new ATOM 0 HA LYS A 12 -4.663 3.179 7.928 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.443 2.167 9.860 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.853 1.777 10.484 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.202 4.036 10.646 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.341 4.565 9.423 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.670 3.360 11.792 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.714 4.773 12.192 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.918 6.157 10.596 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.691 4.763 9.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -9.198 5.938 11.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -8.895 4.383 11.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.146 5.734 12.642 1.00 0.00 H new ATOM 191 N VAL A 13 -2.552 1.916 7.613 1.00 0.00 N ATOM 192 CA VAL A 13 -1.238 1.257 7.463 1.00 0.00 C ATOM 193 C VAL A 13 -0.098 2.150 7.955 1.00 0.00 C ATOM 194 O VAL A 13 -0.249 3.366 8.027 1.00 0.00 O ATOM 195 CB VAL A 13 -0.999 0.752 6.022 1.00 0.00 C ATOM 196 CG1 VAL A 13 -2.097 -0.225 5.598 1.00 0.00 C ATOM 197 CG2 VAL A 13 -0.932 1.849 4.952 1.00 0.00 C ATOM 0 H VAL A 13 -2.605 2.818 7.140 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.252 0.374 8.102 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.020 0.276 6.072 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.907 -0.567 4.580 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.103 -1.081 6.273 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.065 0.275 5.638 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.762 1.395 3.976 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.872 2.400 4.937 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.114 2.532 5.182 1.00 0.00 H new ATOM 207 N VAL A 14 1.049 1.558 8.290 1.00 0.00 N ATOM 208 CA VAL A 14 2.287 2.249 8.693 1.00 0.00 C ATOM 209 C VAL A 14 3.317 2.186 7.568 1.00 0.00 C ATOM 210 O VAL A 14 3.651 1.107 7.078 1.00 0.00 O ATOM 211 CB VAL A 14 2.858 1.714 10.025 1.00 0.00 C ATOM 212 CG1 VAL A 14 2.912 0.184 10.108 1.00 0.00 C ATOM 213 CG2 VAL A 14 4.265 2.261 10.319 1.00 0.00 C ATOM 0 H VAL A 14 1.151 0.543 8.290 1.00 0.00 H new ATOM 0 HA VAL A 14 2.037 3.295 8.874 1.00 0.00 H new ATOM 0 HB VAL A 14 2.153 2.073 10.774 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.324 -0.114 11.072 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.906 -0.222 10.003 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.544 -0.202 9.308 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.622 1.856 11.266 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.944 1.967 9.519 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.227 3.349 10.381 1.00 0.00 H new ATOM 223 N LEU A 15 3.827 3.354 7.166 1.00 0.00 N ATOM 224 CA LEU A 15 4.888 3.495 6.170 1.00 0.00 C ATOM 225 C LEU A 15 5.825 4.661 6.544 1.00 0.00 C ATOM 226 O LEU A 15 5.445 5.822 6.369 1.00 0.00 O ATOM 227 CB LEU A 15 4.236 3.664 4.787 1.00 0.00 C ATOM 228 CG LEU A 15 5.209 3.686 3.592 1.00 0.00 C ATOM 229 CD1 LEU A 15 6.328 2.644 3.675 1.00 0.00 C ATOM 230 CD2 LEU A 15 4.442 3.385 2.305 1.00 0.00 C ATOM 0 H LEU A 15 3.504 4.249 7.535 1.00 0.00 H new ATOM 0 HA LEU A 15 5.515 2.604 6.141 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.524 2.852 4.639 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.665 4.592 4.785 1.00 0.00 H new ATOM 0 HG LEU A 15 5.657 4.679 3.606 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.968 2.726 2.796 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.921 2.817 4.573 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.893 1.645 3.715 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.130 3.400 1.459 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.980 2.401 2.379 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.669 4.139 2.158 1.00 0.00 H new ATOM 242 N PRO A 16 7.016 4.406 7.119 1.00 0.00 N ATOM 243 CA PRO A 16 7.977 5.464 7.439 1.00 0.00 C ATOM 244 C PRO A 16 8.597 6.103 6.170 1.00 0.00 C ATOM 245 O PRO A 16 8.576 5.488 5.098 1.00 0.00 O ATOM 246 CB PRO A 16 9.023 4.793 8.336 1.00 0.00 C ATOM 247 CG PRO A 16 8.983 3.327 7.915 1.00 0.00 C ATOM 248 CD PRO A 16 7.520 3.105 7.539 1.00 0.00 C ATOM 0 HA PRO A 16 7.499 6.303 7.946 1.00 0.00 H new ATOM 0 HB2 PRO A 16 10.013 5.224 8.187 1.00 0.00 H new ATOM 0 HB3 PRO A 16 8.779 4.912 9.392 1.00 0.00 H new ATOM 0 HG2 PRO A 16 9.648 3.133 7.073 1.00 0.00 H new ATOM 0 HG3 PRO A 16 9.294 2.668 8.726 1.00 0.00 H new ATOM 0 HD2 PRO A 16 7.429 2.373 6.737 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.952 2.721 8.387 1.00 0.00 H new ATOM 256 N PRO A 17 9.167 7.325 6.268 1.00 0.00 N ATOM 257 CA PRO A 17 9.276 8.155 7.475 1.00 0.00 C ATOM 258 C PRO A 17 7.962 8.850 7.891 1.00 0.00 C ATOM 259 O PRO A 17 7.892 9.412 8.986 1.00 0.00 O ATOM 260 CB PRO A 17 10.361 9.184 7.139 1.00 0.00 C ATOM 261 CG PRO A 17 10.189 9.391 5.636 1.00 0.00 C ATOM 262 CD PRO A 17 9.819 7.992 5.146 1.00 0.00 C ATOM 0 HA PRO A 17 9.519 7.533 8.337 1.00 0.00 H new ATOM 0 HB2 PRO A 17 10.221 10.113 7.692 1.00 0.00 H new ATOM 0 HB3 PRO A 17 11.357 8.814 7.384 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.408 10.118 5.414 1.00 0.00 H new ATOM 0 HG3 PRO A 17 11.105 9.755 5.170 1.00 0.00 H new ATOM 0 HD2 PRO A 17 9.153 8.045 4.285 1.00 0.00 H new ATOM 0 HD3 PRO A 17 10.706 7.443 4.830 1.00 0.00 H new ATOM 270 N TYR A 18 6.909 8.785 7.065 1.00 0.00 N ATOM 271 CA TYR A 18 5.583 9.364 7.336 1.00 0.00 C ATOM 272 C TYR A 18 4.939 8.791 8.615 1.00 0.00 C ATOM 273 O TYR A 18 4.334 9.523 9.401 1.00 0.00 O ATOM 274 CB TYR A 18 4.663 9.136 6.122 1.00 0.00 C ATOM 275 CG TYR A 18 5.315 9.363 4.766 1.00 0.00 C ATOM 276 CD1 TYR A 18 5.714 10.661 4.389 1.00 0.00 C ATOM 277 CD2 TYR A 18 5.537 8.280 3.890 1.00 0.00 C ATOM 278 CE1 TYR A 18 6.324 10.877 3.138 1.00 0.00 C ATOM 279 CE2 TYR A 18 6.130 8.494 2.628 1.00 0.00 C ATOM 280 CZ TYR A 18 6.526 9.795 2.251 1.00 0.00 C ATOM 281 OH TYR A 18 7.106 9.999 1.037 1.00 0.00 O ATOM 0 H TYR A 18 6.956 8.314 6.162 1.00 0.00 H new ATOM 0 HA TYR A 18 5.717 10.433 7.503 1.00 0.00 H new ATOM 0 HB2 TYR A 18 4.285 8.114 6.159 1.00 0.00 H new ATOM 0 HB3 TYR A 18 3.802 9.798 6.209 1.00 0.00 H new ATOM 0 HD1 TYR A 18 5.552 11.491 5.060 1.00 0.00 H new ATOM 0 HD2 TYR A 18 5.251 7.282 4.187 1.00 0.00 H new ATOM 0 HE1 TYR A 18 6.638 11.871 2.856 1.00 0.00 H new ATOM 0 HE2 TYR A 18 6.280 7.665 1.953 1.00 0.00 H new ATOM 0 HH TYR A 18 7.169 9.147 0.557 1.00 0.00 H new ATOM 291 N GLY A 19 5.075 7.478 8.825 1.00 0.00 N ATOM 292 CA GLY A 19 4.632 6.733 10.017 1.00 0.00 C ATOM 293 C GLY A 19 3.204 6.189 9.908 1.00 0.00 C ATOM 294 O GLY A 19 2.839 5.243 10.604 1.00 0.00 O ATOM 0 H GLY A 19 5.519 6.871 8.136 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.316 5.902 10.190 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.697 7.386 10.887 1.00 0.00 H new ATOM 298 N VAL A 20 2.390 6.773 9.031 1.00 0.00 N ATOM 299 CA VAL A 20 1.028 6.354 8.690 1.00 0.00 C ATOM 300 C VAL A 20 0.776 6.634 7.209 1.00 0.00 C ATOM 301 O VAL A 20 1.255 7.640 6.685 1.00 0.00 O ATOM 302 CB VAL A 20 -0.002 7.041 9.609 1.00 0.00 C ATOM 303 CG1 VAL A 20 -0.144 8.552 9.373 1.00 0.00 C ATOM 304 CG2 VAL A 20 -1.385 6.388 9.500 1.00 0.00 C ATOM 0 H VAL A 20 2.678 7.600 8.508 1.00 0.00 H new ATOM 0 HA VAL A 20 0.915 5.282 8.854 1.00 0.00 H new ATOM 0 HB VAL A 20 0.398 6.903 10.614 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.887 8.959 10.059 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.815 9.039 9.547 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.461 8.732 8.346 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.083 6.900 10.163 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.741 6.460 8.472 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.316 5.339 9.787 1.00 0.00 H new ATOM 314 N GLY A 21 0.027 5.765 6.536 1.00 0.00 N ATOM 315 CA GLY A 21 -0.411 5.908 5.148 1.00 0.00 C ATOM 316 C GLY A 21 -1.805 5.324 4.921 1.00 0.00 C ATOM 317 O GLY A 21 -2.369 4.660 5.797 1.00 0.00 O ATOM 0 H GLY A 21 -0.308 4.901 6.962 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -0.412 6.963 4.876 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.302 5.410 4.490 1.00 0.00 H new ATOM 321 N VAL A 22 -2.359 5.570 3.732 1.00 0.00 N ATOM 322 CA VAL A 22 -3.680 5.094 3.296 1.00 0.00 C ATOM 323 C VAL A 22 -3.598 4.567 1.864 1.00 0.00 C ATOM 324 O VAL A 22 -3.256 5.295 0.934 1.00 0.00 O ATOM 325 CB VAL A 22 -4.738 6.211 3.400 1.00 0.00 C ATOM 326 CG1 VAL A 22 -6.072 5.765 2.789 1.00 0.00 C ATOM 327 CG2 VAL A 22 -5.035 6.583 4.858 1.00 0.00 C ATOM 0 H VAL A 22 -1.886 6.125 3.019 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.987 4.283 3.957 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.321 7.064 2.865 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.800 6.572 2.876 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.926 5.519 1.737 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.439 4.886 3.319 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.785 7.373 4.886 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.410 5.707 5.388 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.121 6.933 5.338 1.00 0.00 H new ATOM 337 N VAL A 23 -3.910 3.285 1.685 1.00 0.00 N ATOM 338 CA VAL A 23 -3.992 2.626 0.372 1.00 0.00 C ATOM 339 C VAL A 23 -5.163 3.205 -0.440 1.00 0.00 C ATOM 340 O VAL A 23 -6.244 3.430 0.113 1.00 0.00 O ATOM 341 CB VAL A 23 -4.193 1.112 0.564 1.00 0.00 C ATOM 342 CG1 VAL A 23 -4.171 0.362 -0.774 1.00 0.00 C ATOM 343 CG2 VAL A 23 -3.145 0.482 1.493 1.00 0.00 C ATOM 0 H VAL A 23 -4.118 2.657 2.462 1.00 0.00 H new ATOM 0 HA VAL A 23 -3.064 2.803 -0.171 1.00 0.00 H new ATOM 0 HB VAL A 23 -5.174 1.012 1.029 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.316 -0.704 -0.596 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.971 0.735 -1.414 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.210 0.521 -1.264 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.339 -0.586 1.589 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.150 0.634 1.075 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.201 0.951 2.475 1.00 0.00 H new ATOM 353 N ALA A 24 -4.977 3.401 -1.748 1.00 0.00 N ATOM 354 CA ALA A 24 -5.982 3.931 -2.678 1.00 0.00 C ATOM 355 C ALA A 24 -6.484 2.885 -3.697 1.00 0.00 C ATOM 356 O ALA A 24 -7.685 2.807 -3.963 1.00 0.00 O ATOM 357 CB ALA A 24 -5.382 5.152 -3.386 1.00 0.00 C ATOM 0 H ALA A 24 -4.091 3.188 -2.207 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.864 4.216 -2.104 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.112 5.563 -4.083 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.120 5.909 -2.647 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.487 4.853 -3.932 1.00 0.00 H new ATOM 363 N GLY A 25 -5.582 2.074 -4.261 1.00 0.00 N ATOM 364 CA GLY A 25 -5.897 1.024 -5.239 1.00 0.00 C ATOM 365 C GLY A 25 -4.655 0.370 -5.852 1.00 0.00 C ATOM 366 O GLY A 25 -3.523 0.771 -5.571 1.00 0.00 O ATOM 0 H GLY A 25 -4.587 2.130 -4.045 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.501 0.257 -4.755 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.504 1.451 -6.037 1.00 0.00 H new ATOM 370 N ILE A 26 -4.878 -0.650 -6.686 1.00 0.00 N ATOM 371 CA ILE A 26 -3.836 -1.406 -7.392 1.00 0.00 C ATOM 372 C ILE A 26 -3.514 -0.729 -8.733 1.00 0.00 C ATOM 373 O ILE A 26 -4.405 -0.479 -9.547 1.00 0.00 O ATOM 374 CB ILE A 26 -4.257 -2.883 -7.614 1.00 0.00 C ATOM 375 CG1 ILE A 26 -4.381 -3.695 -6.305 1.00 0.00 C ATOM 376 CG2 ILE A 26 -3.185 -3.598 -8.454 1.00 0.00 C ATOM 377 CD1 ILE A 26 -5.651 -3.437 -5.488 1.00 0.00 C ATOM 0 H ILE A 26 -5.819 -0.984 -6.896 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.940 -1.410 -6.771 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.231 -2.841 -8.101 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.337 -4.756 -6.550 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.516 -3.476 -5.679 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.478 -4.636 -8.611 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.085 -3.099 -9.418 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.230 -3.567 -7.929 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -5.639 -4.056 -4.591 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.693 -2.386 -5.203 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.526 -3.685 -6.088 1.00 0.00 H new ATOM 389 N ALA A 27 -2.225 -0.487 -8.976 1.00 0.00 N ATOM 390 CA ALA A 27 -1.676 0.050 -10.221 1.00 0.00 C ATOM 391 C ALA A 27 -0.655 -0.927 -10.832 1.00 0.00 C ATOM 392 O ALA A 27 0.386 -1.197 -10.233 1.00 0.00 O ATOM 393 CB ALA A 27 -1.046 1.415 -9.913 1.00 0.00 C ATOM 0 H ALA A 27 -1.503 -0.668 -8.279 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.466 0.177 -10.962 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.628 1.838 -10.827 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.808 2.087 -9.518 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.253 1.292 -9.175 1.00 0.00 H new ATOM 399 N GLN A 28 -0.942 -1.476 -12.018 1.00 0.00 N ATOM 400 CA GLN A 28 -0.009 -2.336 -12.756 1.00 0.00 C ATOM 401 C GLN A 28 1.043 -1.505 -13.516 1.00 0.00 C ATOM 402 O GLN A 28 0.717 -0.787 -14.466 1.00 0.00 O ATOM 403 CB GLN A 28 -0.760 -3.298 -13.693 1.00 0.00 C ATOM 404 CG GLN A 28 -1.740 -4.207 -12.927 1.00 0.00 C ATOM 405 CD GLN A 28 -1.916 -5.567 -13.601 1.00 0.00 C ATOM 406 OE1 GLN A 28 -2.889 -5.836 -14.293 1.00 0.00 O ATOM 407 NE2 GLN A 28 -0.984 -6.481 -13.422 1.00 0.00 N ATOM 0 H GLN A 28 -1.832 -1.336 -12.495 1.00 0.00 H new ATOM 0 HA GLN A 28 0.527 -2.944 -12.027 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -1.308 -2.722 -14.439 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -0.040 -3.914 -14.232 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -1.378 -4.352 -11.909 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -2.709 -3.713 -12.853 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -0.167 -6.271 -12.848 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -1.079 -7.398 -13.858 1.00 0.00 H new ATOM 416 N ARG A 29 2.311 -1.601 -13.097 1.00 0.00 N ATOM 417 CA ARG A 29 3.486 -0.926 -13.684 1.00 0.00 C ATOM 418 C ARG A 29 4.243 -1.879 -14.612 1.00 0.00 C ATOM 419 O ARG A 29 4.735 -2.918 -14.170 1.00 0.00 O ATOM 420 CB ARG A 29 4.401 -0.405 -12.556 1.00 0.00 C ATOM 421 CG ARG A 29 3.787 0.780 -11.787 1.00 0.00 C ATOM 422 CD ARG A 29 4.015 2.130 -12.489 1.00 0.00 C ATOM 423 NE ARG A 29 5.270 2.776 -12.049 1.00 0.00 N ATOM 424 CZ ARG A 29 5.686 3.996 -12.344 1.00 0.00 C ATOM 425 NH1 ARG A 29 5.060 4.755 -13.200 1.00 0.00 N ATOM 426 NH2 ARG A 29 6.752 4.485 -11.778 1.00 0.00 N ATOM 0 H ARG A 29 2.563 -2.181 -12.297 1.00 0.00 H new ATOM 0 HA ARG A 29 3.152 -0.077 -14.281 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.608 -1.217 -11.858 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.357 -0.099 -12.982 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.716 0.614 -11.668 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.217 0.819 -10.786 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.044 1.978 -13.568 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.174 2.793 -12.283 1.00 0.00 H new ATOM 0 HE ARG A 29 5.882 2.219 -11.452 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.220 4.412 -13.667 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.410 5.691 -13.403 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.272 3.926 -11.102 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.067 5.427 -12.011 1.00 0.00 H new ATOM 440 N SER A 30 4.306 -1.541 -15.898 1.00 0.00 N ATOM 441 CA SER A 30 5.035 -2.271 -16.948 1.00 0.00 C ATOM 442 C SER A 30 6.556 -2.136 -16.766 1.00 0.00 C ATOM 443 O SER A 30 7.139 -1.103 -17.102 1.00 0.00 O ATOM 444 CB SER A 30 4.612 -1.766 -18.338 1.00 0.00 C ATOM 445 OG SER A 30 3.196 -1.762 -18.463 1.00 0.00 O ATOM 0 H SER A 30 3.831 -0.714 -16.259 1.00 0.00 H new ATOM 0 HA SER A 30 4.781 -3.328 -16.865 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.999 -0.759 -18.498 1.00 0.00 H new ATOM 0 HB3 SER A 30 5.048 -2.401 -19.109 1.00 0.00 H new ATOM 0 HG SER A 30 2.947 -1.436 -19.353 1.00 0.00 H new ATOM 451 N VAL A 31 7.208 -3.167 -16.219 1.00 0.00 N ATOM 452 CA VAL A 31 8.652 -3.222 -15.916 1.00 0.00 C ATOM 453 C VAL A 31 9.284 -4.459 -16.558 1.00 0.00 C ATOM 454 O VAL A 31 8.761 -5.562 -16.427 1.00 0.00 O ATOM 455 CB VAL A 31 8.894 -3.157 -14.390 1.00 0.00 C ATOM 456 CG1 VAL A 31 8.233 -4.283 -13.590 1.00 0.00 C ATOM 457 CG2 VAL A 31 10.391 -3.129 -14.057 1.00 0.00 C ATOM 0 H VAL A 31 6.726 -4.028 -15.961 1.00 0.00 H new ATOM 0 HA VAL A 31 9.141 -2.349 -16.349 1.00 0.00 H new ATOM 0 HB VAL A 31 8.418 -2.225 -14.086 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.456 -4.156 -12.531 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.154 -4.251 -13.740 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.618 -5.245 -13.929 1.00 0.00 H new ATOM 0 HG21 VAL A 31 10.522 -3.083 -12.976 1.00 0.00 H new ATOM 0 HG22 VAL A 31 10.866 -4.031 -14.443 1.00 0.00 H new ATOM 0 HG23 VAL A 31 10.849 -2.253 -14.516 1.00 0.00 H new ATOM 467 N SER A 32 10.389 -4.307 -17.296 1.00 0.00 N ATOM 468 CA SER A 32 11.043 -5.411 -18.034 1.00 0.00 C ATOM 469 C SER A 32 10.090 -6.182 -18.986 1.00 0.00 C ATOM 470 O SER A 32 10.294 -7.361 -19.285 1.00 0.00 O ATOM 471 CB SER A 32 11.750 -6.330 -17.019 1.00 0.00 C ATOM 472 OG SER A 32 12.703 -7.179 -17.639 1.00 0.00 O ATOM 0 H SER A 32 10.864 -3.411 -17.403 1.00 0.00 H new ATOM 0 HA SER A 32 11.783 -4.980 -18.708 1.00 0.00 H new ATOM 0 HB2 SER A 32 12.246 -5.721 -16.263 1.00 0.00 H new ATOM 0 HB3 SER A 32 11.007 -6.937 -16.502 1.00 0.00 H new ATOM 0 HG SER A 32 12.306 -7.591 -18.435 1.00 0.00 H new ATOM 478 N GLY A 33 9.017 -5.525 -19.449 1.00 0.00 N ATOM 479 CA GLY A 33 7.948 -6.092 -20.281 1.00 0.00 C ATOM 480 C GLY A 33 6.825 -6.822 -19.520 1.00 0.00 C ATOM 481 O GLY A 33 5.817 -7.173 -20.137 1.00 0.00 O ATOM 0 H GLY A 33 8.864 -4.538 -19.244 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.502 -5.287 -20.865 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.395 -6.790 -20.989 1.00 0.00 H new ATOM 485 N VAL A 34 6.955 -7.035 -18.203 1.00 0.00 N ATOM 486 CA VAL A 34 5.938 -7.656 -17.331 1.00 0.00 C ATOM 487 C VAL A 34 5.236 -6.598 -16.473 1.00 0.00 C ATOM 488 O VAL A 34 5.877 -5.763 -15.835 1.00 0.00 O ATOM 489 CB VAL A 34 6.528 -8.792 -16.462 1.00 0.00 C ATOM 490 CG1 VAL A 34 6.926 -10.004 -17.325 1.00 0.00 C ATOM 491 CG2 VAL A 34 7.722 -8.401 -15.579 1.00 0.00 C ATOM 0 H VAL A 34 7.799 -6.772 -17.694 1.00 0.00 H new ATOM 0 HA VAL A 34 5.191 -8.116 -17.979 1.00 0.00 H new ATOM 0 HB VAL A 34 5.714 -9.043 -15.782 1.00 0.00 H new ATOM 0 HG11 VAL A 34 7.337 -10.786 -16.687 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.047 -10.385 -17.845 1.00 0.00 H new ATOM 0 HG13 VAL A 34 7.676 -9.700 -18.055 1.00 0.00 H new ATOM 0 HG21 VAL A 34 8.056 -9.271 -15.013 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.537 -8.042 -16.207 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.421 -7.613 -14.889 1.00 0.00 H new ATOM 501 N SER A 35 3.903 -6.593 -16.461 1.00 0.00 N ATOM 502 CA SER A 35 3.129 -5.650 -15.643 1.00 0.00 C ATOM 503 C SER A 35 2.986 -6.204 -14.222 1.00 0.00 C ATOM 504 O SER A 35 2.401 -7.275 -14.037 1.00 0.00 O ATOM 505 CB SER A 35 1.742 -5.374 -16.252 1.00 0.00 C ATOM 506 OG SER A 35 1.760 -5.430 -17.673 1.00 0.00 O ATOM 0 H SER A 35 3.331 -7.234 -17.011 1.00 0.00 H new ATOM 0 HA SER A 35 3.666 -4.702 -15.614 1.00 0.00 H new ATOM 0 HB2 SER A 35 1.027 -6.103 -15.870 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.396 -4.391 -15.933 1.00 0.00 H new ATOM 0 HG SER A 35 0.861 -5.251 -18.019 1.00 0.00 H new ATOM 512 N ARG A 36 3.483 -5.483 -13.207 1.00 0.00 N ATOM 513 CA ARG A 36 3.381 -5.894 -11.790 1.00 0.00 C ATOM 514 C ARG A 36 2.478 -4.934 -11.039 1.00 0.00 C ATOM 515 O ARG A 36 2.594 -3.722 -11.202 1.00 0.00 O ATOM 516 CB ARG A 36 4.757 -5.979 -11.106 1.00 0.00 C ATOM 517 CG ARG A 36 5.824 -6.635 -11.988 1.00 0.00 C ATOM 518 CD ARG A 36 7.072 -7.053 -11.201 1.00 0.00 C ATOM 519 NE ARG A 36 7.028 -8.492 -10.866 1.00 0.00 N ATOM 520 CZ ARG A 36 8.019 -9.248 -10.430 1.00 0.00 C ATOM 521 NH1 ARG A 36 9.184 -8.754 -10.114 1.00 0.00 N ATOM 522 NH2 ARG A 36 7.864 -10.538 -10.330 1.00 0.00 N ATOM 0 H ARG A 36 3.969 -4.596 -13.340 1.00 0.00 H new ATOM 0 HA ARG A 36 2.951 -6.895 -11.768 1.00 0.00 H new ATOM 0 HB2 ARG A 36 5.084 -4.975 -10.835 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.662 -6.545 -10.179 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.397 -7.512 -12.475 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.113 -5.941 -12.777 1.00 0.00 H new ATOM 0 HD2 ARG A 36 7.965 -6.840 -11.788 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.144 -6.465 -10.286 1.00 0.00 H new ATOM 0 HE ARG A 36 6.127 -8.955 -10.986 1.00 0.00 H new ATOM 0 HH11 ARG A 36 9.353 -7.752 -10.200 1.00 0.00 H new ATOM 0 HH12 ARG A 36 9.926 -9.370 -9.781 1.00 0.00 H new ATOM 0 HH21 ARG A 36 6.975 -10.966 -10.589 1.00 0.00 H new ATOM 0 HH22 ARG A 36 8.631 -11.119 -9.993 1.00 0.00 H new ATOM 536 N ALA A 37 1.566 -5.471 -10.240 1.00 0.00 N ATOM 537 CA ALA A 37 0.668 -4.683 -9.409 1.00 0.00 C ATOM 538 C ALA A 37 1.411 -4.032 -8.227 1.00 0.00 C ATOM 539 O ALA A 37 2.296 -4.635 -7.611 1.00 0.00 O ATOM 540 CB ALA A 37 -0.471 -5.603 -8.965 1.00 0.00 C ATOM 0 H ALA A 37 1.428 -6.478 -10.150 1.00 0.00 H new ATOM 0 HA ALA A 37 0.256 -3.847 -9.974 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.166 -5.045 -8.338 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -0.996 -5.981 -9.842 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -0.063 -6.440 -8.398 1.00 0.00 H new ATOM 546 N TYR A 38 0.999 -2.809 -7.893 1.00 0.00 N ATOM 547 CA TYR A 38 1.518 -2.005 -6.791 1.00 0.00 C ATOM 548 C TYR A 38 0.398 -1.223 -6.094 1.00 0.00 C ATOM 549 O TYR A 38 -0.381 -0.536 -6.757 1.00 0.00 O ATOM 550 CB TYR A 38 2.571 -1.029 -7.335 1.00 0.00 C ATOM 551 CG TYR A 38 3.902 -1.668 -7.687 1.00 0.00 C ATOM 552 CD1 TYR A 38 4.832 -1.926 -6.665 1.00 0.00 C ATOM 553 CD2 TYR A 38 4.219 -2.007 -9.018 1.00 0.00 C ATOM 554 CE1 TYR A 38 6.066 -2.536 -6.957 1.00 0.00 C ATOM 555 CE2 TYR A 38 5.461 -2.601 -9.321 1.00 0.00 C ATOM 556 CZ TYR A 38 6.381 -2.882 -8.287 1.00 0.00 C ATOM 557 OH TYR A 38 7.572 -3.482 -8.561 1.00 0.00 O ATOM 0 H TYR A 38 0.260 -2.331 -8.409 1.00 0.00 H new ATOM 0 HA TYR A 38 1.967 -2.673 -6.056 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.171 -0.541 -8.224 1.00 0.00 H new ATOM 0 HB3 TYR A 38 2.742 -0.249 -6.593 1.00 0.00 H new ATOM 0 HD1 TYR A 38 4.597 -1.654 -5.647 1.00 0.00 H new ATOM 0 HD2 TYR A 38 3.509 -1.811 -9.808 1.00 0.00 H new ATOM 0 HE1 TYR A 38 6.770 -2.739 -6.164 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.709 -2.841 -10.344 1.00 0.00 H new ATOM 0 HH TYR A 38 7.637 -3.657 -9.523 1.00 0.00 H new ATOM 567 N TYR A 39 0.301 -1.317 -4.765 1.00 0.00 N ATOM 568 CA TYR A 39 -0.658 -0.537 -3.976 1.00 0.00 C ATOM 569 C TYR A 39 -0.214 0.927 -3.885 1.00 0.00 C ATOM 570 O TYR A 39 0.873 1.212 -3.384 1.00 0.00 O ATOM 571 CB TYR A 39 -0.806 -1.107 -2.558 1.00 0.00 C ATOM 572 CG TYR A 39 -1.132 -2.582 -2.480 1.00 0.00 C ATOM 573 CD1 TYR A 39 -2.227 -3.096 -3.196 1.00 0.00 C ATOM 574 CD2 TYR A 39 -0.337 -3.440 -1.696 1.00 0.00 C ATOM 575 CE1 TYR A 39 -2.521 -4.470 -3.146 1.00 0.00 C ATOM 576 CE2 TYR A 39 -0.637 -4.813 -1.628 1.00 0.00 C ATOM 577 CZ TYR A 39 -1.743 -5.331 -2.343 1.00 0.00 C ATOM 578 OH TYR A 39 -2.043 -6.657 -2.307 1.00 0.00 O ATOM 0 H TYR A 39 0.886 -1.937 -4.204 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.622 -0.596 -4.482 1.00 0.00 H new ATOM 0 HB2 TYR A 39 0.122 -0.929 -2.015 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.589 -0.552 -2.042 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -2.844 -2.434 -3.786 1.00 0.00 H new ATOM 0 HD2 TYR A 39 0.504 -3.044 -1.146 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -3.343 -4.867 -3.723 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -0.024 -5.471 -1.031 1.00 0.00 H new ATOM 0 HH TYR A 39 -1.417 -7.118 -1.710 1.00 0.00 H new ATOM 588 N GLN A 40 -1.041 1.851 -4.376 1.00 0.00 N ATOM 589 CA GLN A 40 -0.824 3.296 -4.279 1.00 0.00 C ATOM 590 C GLN A 40 -1.128 3.780 -2.848 1.00 0.00 C ATOM 591 O GLN A 40 -2.296 3.904 -2.479 1.00 0.00 O ATOM 592 CB GLN A 40 -1.726 3.986 -5.318 1.00 0.00 C ATOM 593 CG GLN A 40 -1.473 5.499 -5.417 1.00 0.00 C ATOM 594 CD GLN A 40 -2.576 6.232 -6.181 1.00 0.00 C ATOM 595 OE1 GLN A 40 -3.172 7.186 -5.700 1.00 0.00 O ATOM 596 NE2 GLN A 40 -2.885 5.848 -7.402 1.00 0.00 N ATOM 0 H GLN A 40 -1.903 1.609 -4.865 1.00 0.00 H new ATOM 0 HA GLN A 40 0.216 3.547 -4.488 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -1.562 3.530 -6.294 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -2.770 3.813 -5.057 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -1.393 5.916 -4.413 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -0.517 5.672 -5.912 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.402 5.055 -7.825 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -3.607 6.343 -7.925 1.00 0.00 H new ATOM 605 N VAL A 41 -0.106 4.035 -2.028 1.00 0.00 N ATOM 606 CA VAL A 41 -0.255 4.603 -0.674 1.00 0.00 C ATOM 607 C VAL A 41 -0.152 6.126 -0.720 1.00 0.00 C ATOM 608 O VAL A 41 0.898 6.658 -1.072 1.00 0.00 O ATOM 609 CB VAL A 41 0.795 4.064 0.317 1.00 0.00 C ATOM 610 CG1 VAL A 41 0.385 4.401 1.758 1.00 0.00 C ATOM 611 CG2 VAL A 41 0.967 2.548 0.225 1.00 0.00 C ATOM 0 H VAL A 41 0.864 3.852 -2.284 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.240 4.298 -0.321 1.00 0.00 H new ATOM 0 HB VAL A 41 1.738 4.541 0.052 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.134 4.015 2.449 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.309 5.482 1.871 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.580 3.945 1.978 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.718 2.223 0.945 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.018 2.060 0.446 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.288 2.279 -0.781 1.00 0.00 H new ATOM 621 N ASP A 42 -1.236 6.826 -0.397 1.00 0.00 N ATOM 622 CA ASP A 42 -1.306 8.286 -0.281 1.00 0.00 C ATOM 623 C ASP A 42 -1.164 8.710 1.195 1.00 0.00 C ATOM 624 O ASP A 42 -1.637 8.016 2.103 1.00 0.00 O ATOM 625 CB ASP A 42 -2.647 8.748 -0.877 1.00 0.00 C ATOM 626 CG ASP A 42 -2.805 10.277 -0.871 1.00 0.00 C ATOM 627 OD1 ASP A 42 -2.156 10.952 -1.705 1.00 0.00 O ATOM 628 OD2 ASP A 42 -3.598 10.800 -0.053 1.00 0.00 O ATOM 0 H ASP A 42 -2.130 6.375 -0.200 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.489 8.756 -0.829 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.730 8.383 -1.901 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -3.464 8.300 -0.312 1.00 0.00 H new ATOM 633 N PHE A 43 -0.519 9.854 1.440 1.00 0.00 N ATOM 634 CA PHE A 43 -0.243 10.388 2.783 1.00 0.00 C ATOM 635 C PHE A 43 -0.825 11.804 2.948 1.00 0.00 C ATOM 636 O PHE A 43 -0.787 12.586 1.991 1.00 0.00 O ATOM 637 CB PHE A 43 1.275 10.413 3.038 1.00 0.00 C ATOM 638 CG PHE A 43 2.005 9.165 2.589 1.00 0.00 C ATOM 639 CD1 PHE A 43 1.995 8.011 3.388 1.00 0.00 C ATOM 640 CD2 PHE A 43 2.648 9.140 1.340 1.00 0.00 C ATOM 641 CE1 PHE A 43 2.623 6.840 2.945 1.00 0.00 C ATOM 642 CE2 PHE A 43 3.287 7.974 0.894 1.00 0.00 C ATOM 643 CZ PHE A 43 3.275 6.826 1.702 1.00 0.00 C ATOM 0 H PHE A 43 -0.164 10.452 0.693 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.722 9.735 3.512 1.00 0.00 H new ATOM 0 HB2 PHE A 43 1.703 11.274 2.525 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.450 10.558 4.104 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.501 8.026 4.348 1.00 0.00 H new ATOM 0 HD2 PHE A 43 2.650 10.024 0.720 1.00 0.00 H new ATOM 0 HE1 PHE A 43 2.606 5.951 3.558 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.785 7.959 -0.064 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.770 5.927 1.365 1.00 0.00 H new ATOM 653 N PRO A 44 -1.323 12.182 4.142 1.00 0.00 N ATOM 654 CA PRO A 44 -1.846 13.527 4.382 1.00 0.00 C ATOM 655 C PRO A 44 -0.738 14.598 4.362 1.00 0.00 C ATOM 656 O PRO A 44 0.452 14.307 4.513 1.00 0.00 O ATOM 657 CB PRO A 44 -2.560 13.441 5.736 1.00 0.00 C ATOM 658 CG PRO A 44 -1.810 12.329 6.468 1.00 0.00 C ATOM 659 CD PRO A 44 -1.434 11.365 5.343 1.00 0.00 C ATOM 0 HA PRO A 44 -2.529 13.841 3.592 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -2.506 14.385 6.278 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -3.617 13.201 5.617 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -0.929 12.709 6.984 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -2.436 11.847 7.219 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -0.494 10.859 5.560 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -2.192 10.591 5.221 1.00 0.00 H new ATOM 667 N GLY A 45 -1.136 15.861 4.174 1.00 0.00 N ATOM 668 CA GLY A 45 -0.252 17.037 4.124 1.00 0.00 C ATOM 669 C GLY A 45 0.447 17.292 2.776 1.00 0.00 C ATOM 670 O GLY A 45 1.011 18.371 2.579 1.00 0.00 O ATOM 0 H GLY A 45 -2.118 16.104 4.048 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.838 17.920 4.381 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.512 16.927 4.893 1.00 0.00 H new ATOM 674 N SER A 46 0.418 16.332 1.844 1.00 0.00 N ATOM 675 CA SER A 46 1.000 16.419 0.492 1.00 0.00 C ATOM 676 C SER A 46 0.292 15.462 -0.492 1.00 0.00 C ATOM 677 O SER A 46 -0.749 14.884 -0.168 1.00 0.00 O ATOM 678 CB SER A 46 2.503 16.095 0.580 1.00 0.00 C ATOM 679 OG SER A 46 3.182 16.509 -0.595 1.00 0.00 O ATOM 0 H SER A 46 -0.031 15.432 2.015 1.00 0.00 H new ATOM 0 HA SER A 46 0.860 17.430 0.109 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.936 16.592 1.448 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.640 15.023 0.725 1.00 0.00 H new ATOM 0 HG SER A 46 4.135 16.294 -0.515 1.00 0.00 H new ATOM 685 N ARG A 47 0.837 15.307 -1.708 1.00 0.00 N ATOM 686 CA ARG A 47 0.389 14.370 -2.761 1.00 0.00 C ATOM 687 C ARG A 47 1.396 13.235 -2.995 1.00 0.00 C ATOM 688 O ARG A 47 1.283 12.517 -3.988 1.00 0.00 O ATOM 689 CB ARG A 47 0.039 15.093 -4.076 1.00 0.00 C ATOM 690 CG ARG A 47 -1.213 15.974 -3.974 1.00 0.00 C ATOM 691 CD ARG A 47 -1.908 16.106 -5.342 1.00 0.00 C ATOM 692 NE ARG A 47 -2.810 14.965 -5.623 1.00 0.00 N ATOM 693 CZ ARG A 47 -4.053 14.804 -5.194 1.00 0.00 C ATOM 694 NH1 ARG A 47 -4.630 15.675 -4.414 1.00 0.00 N ATOM 695 NH2 ARG A 47 -4.752 13.761 -5.540 1.00 0.00 N ATOM 0 H ARG A 47 1.643 15.858 -2.003 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.530 13.914 -2.392 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.885 15.711 -4.378 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.111 14.351 -4.861 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.906 15.545 -3.250 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.938 16.962 -3.605 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.479 17.034 -5.370 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.154 16.173 -6.126 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.433 14.222 -6.211 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -4.123 16.509 -4.117 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -5.589 15.523 -4.100 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -4.344 13.053 -6.150 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -5.708 13.652 -5.201 1.00 0.00 H new ATOM 709 N SER A 48 2.391 13.071 -2.116 1.00 0.00 N ATOM 710 CA SER A 48 3.352 11.959 -2.173 1.00 0.00 C ATOM 711 C SER A 48 2.619 10.617 -2.254 1.00 0.00 C ATOM 712 O SER A 48 1.652 10.382 -1.522 1.00 0.00 O ATOM 713 CB SER A 48 4.277 11.959 -0.947 1.00 0.00 C ATOM 714 OG SER A 48 5.379 12.825 -1.160 1.00 0.00 O ATOM 0 H SER A 48 2.555 13.710 -1.338 1.00 0.00 H new ATOM 0 HA SER A 48 3.957 12.097 -3.069 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.722 12.277 -0.064 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.633 10.947 -0.752 1.00 0.00 H new ATOM 0 HG SER A 48 5.959 12.817 -0.370 1.00 0.00 H new ATOM 720 N LYS A 49 3.096 9.739 -3.139 1.00 0.00 N ATOM 721 CA LYS A 49 2.589 8.376 -3.323 1.00 0.00 C ATOM 722 C LYS A 49 3.733 7.376 -3.189 1.00 0.00 C ATOM 723 O LYS A 49 4.831 7.624 -3.693 1.00 0.00 O ATOM 724 CB LYS A 49 1.880 8.222 -4.686 1.00 0.00 C ATOM 725 CG LYS A 49 0.813 9.302 -4.943 1.00 0.00 C ATOM 726 CD LYS A 49 -0.069 9.018 -6.166 1.00 0.00 C ATOM 727 CE LYS A 49 0.691 9.115 -7.499 1.00 0.00 C ATOM 728 NZ LYS A 49 0.210 10.245 -8.337 1.00 0.00 N ATOM 0 H LYS A 49 3.869 9.963 -3.766 1.00 0.00 H new ATOM 0 HA LYS A 49 1.851 8.174 -2.547 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.624 8.260 -5.481 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.411 7.239 -4.735 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.179 9.391 -4.061 1.00 0.00 H new ATOM 0 HG3 LYS A 49 1.307 10.264 -5.078 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.498 8.020 -6.072 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.900 9.723 -6.177 1.00 0.00 H new ATOM 0 HE2 LYS A 49 1.756 9.239 -7.300 1.00 0.00 H new ATOM 0 HE3 LYS A 49 0.576 8.181 -8.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 0.750 10.273 -9.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.800 10.115 -8.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 0.343 11.139 -7.823 1.00 0.00 H new ATOM 742 N ALA A 50 3.471 6.240 -2.551 1.00 0.00 N ATOM 743 CA ALA A 50 4.414 5.130 -2.421 1.00 0.00 C ATOM 744 C ALA A 50 3.790 3.866 -3.022 1.00 0.00 C ATOM 745 O ALA A 50 2.676 3.494 -2.658 1.00 0.00 O ATOM 746 CB ALA A 50 4.801 4.935 -0.958 1.00 0.00 C ATOM 0 H ALA A 50 2.575 6.059 -2.098 1.00 0.00 H new ATOM 0 HA ALA A 50 5.330 5.352 -2.969 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.503 4.106 -0.875 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.268 5.845 -0.581 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.909 4.715 -0.372 1.00 0.00 H new ATOM 752 N TYR A 51 4.485 3.227 -3.962 1.00 0.00 N ATOM 753 CA TYR A 51 4.034 2.019 -4.654 1.00 0.00 C ATOM 754 C TYR A 51 4.536 0.751 -3.941 1.00 0.00 C ATOM 755 O TYR A 51 5.714 0.400 -4.040 1.00 0.00 O ATOM 756 CB TYR A 51 4.538 2.077 -6.107 1.00 0.00 C ATOM 757 CG TYR A 51 3.871 3.124 -6.983 1.00 0.00 C ATOM 758 CD1 TYR A 51 2.558 2.919 -7.455 1.00 0.00 C ATOM 759 CD2 TYR A 51 4.578 4.283 -7.361 1.00 0.00 C ATOM 760 CE1 TYR A 51 1.960 3.860 -8.317 1.00 0.00 C ATOM 761 CE2 TYR A 51 3.982 5.228 -8.217 1.00 0.00 C ATOM 762 CZ TYR A 51 2.675 5.016 -8.706 1.00 0.00 C ATOM 763 OH TYR A 51 2.117 5.923 -9.555 1.00 0.00 O ATOM 0 H TYR A 51 5.403 3.544 -4.272 1.00 0.00 H new ATOM 0 HA TYR A 51 2.945 1.975 -4.645 1.00 0.00 H new ATOM 0 HB2 TYR A 51 5.611 2.267 -6.095 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.393 1.098 -6.564 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.009 2.038 -7.155 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.580 4.447 -6.993 1.00 0.00 H new ATOM 0 HE1 TYR A 51 0.956 3.698 -8.680 1.00 0.00 H new ATOM 0 HE2 TYR A 51 4.526 6.117 -8.500 1.00 0.00 H new ATOM 0 HH TYR A 51 2.749 6.655 -9.713 1.00 0.00 H new ATOM 773 N VAL A 52 3.657 0.064 -3.203 1.00 0.00 N ATOM 774 CA VAL A 52 4.006 -1.143 -2.419 1.00 0.00 C ATOM 775 C VAL A 52 3.813 -2.420 -3.254 1.00 0.00 C ATOM 776 O VAL A 52 2.723 -2.612 -3.795 1.00 0.00 O ATOM 777 CB VAL A 52 3.159 -1.241 -1.140 1.00 0.00 C ATOM 778 CG1 VAL A 52 3.439 -2.527 -0.349 1.00 0.00 C ATOM 779 CG2 VAL A 52 3.405 -0.029 -0.227 1.00 0.00 C ATOM 0 H VAL A 52 2.674 0.326 -3.127 1.00 0.00 H new ATOM 0 HA VAL A 52 5.056 -1.052 -2.142 1.00 0.00 H new ATOM 0 HB VAL A 52 2.118 -1.258 -1.463 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.816 -2.547 0.545 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.211 -3.393 -0.970 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.489 -2.555 -0.059 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.795 -0.121 0.672 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.458 0.009 0.052 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.137 0.885 -0.756 1.00 0.00 H new ATOM 789 N PRO A 53 4.821 -3.308 -3.360 1.00 0.00 N ATOM 790 CA PRO A 53 4.733 -4.548 -4.136 1.00 0.00 C ATOM 791 C PRO A 53 3.714 -5.538 -3.552 1.00 0.00 C ATOM 792 O PRO A 53 3.809 -5.913 -2.383 1.00 0.00 O ATOM 793 CB PRO A 53 6.150 -5.134 -4.120 1.00 0.00 C ATOM 794 CG PRO A 53 6.781 -4.560 -2.854 1.00 0.00 C ATOM 795 CD PRO A 53 6.139 -3.185 -2.749 1.00 0.00 C ATOM 0 HA PRO A 53 4.380 -4.349 -5.148 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.130 -6.224 -4.096 1.00 0.00 H new ATOM 0 HB3 PRO A 53 6.710 -4.846 -5.010 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.565 -5.175 -1.980 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.866 -4.494 -2.937 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.059 -2.871 -1.708 1.00 0.00 H new ATOM 0 HD3 PRO A 53 6.739 -2.434 -3.263 1.00 0.00 H new ATOM 803 N VAL A 54 2.763 -6.010 -4.367 1.00 0.00 N ATOM 804 CA VAL A 54 1.749 -7.000 -3.936 1.00 0.00 C ATOM 805 C VAL A 54 2.329 -8.384 -3.610 1.00 0.00 C ATOM 806 O VAL A 54 1.752 -9.135 -2.827 1.00 0.00 O ATOM 807 CB VAL A 54 0.620 -7.167 -4.970 1.00 0.00 C ATOM 808 CG1 VAL A 54 -0.068 -5.833 -5.270 1.00 0.00 C ATOM 809 CG2 VAL A 54 1.089 -7.779 -6.297 1.00 0.00 C ATOM 0 H VAL A 54 2.668 -5.723 -5.341 1.00 0.00 H new ATOM 0 HA VAL A 54 1.345 -6.581 -3.015 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.082 -7.860 -4.506 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.859 -5.989 -6.003 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.498 -5.431 -4.353 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.662 -5.128 -5.668 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.241 -7.867 -6.977 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.848 -7.138 -6.745 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.511 -8.767 -6.113 1.00 0.00 H new ATOM 819 N GLU A 55 3.472 -8.731 -4.207 1.00 0.00 N ATOM 820 CA GLU A 55 4.171 -10.009 -4.014 1.00 0.00 C ATOM 821 C GLU A 55 4.827 -10.130 -2.627 1.00 0.00 C ATOM 822 O GLU A 55 4.804 -11.204 -2.022 1.00 0.00 O ATOM 823 CB GLU A 55 5.197 -10.206 -5.147 1.00 0.00 C ATOM 824 CG GLU A 55 6.318 -9.155 -5.176 1.00 0.00 C ATOM 825 CD GLU A 55 6.969 -9.034 -6.566 1.00 0.00 C ATOM 826 OE1 GLU A 55 7.523 -10.040 -7.071 1.00 0.00 O ATOM 827 OE2 GLU A 55 6.936 -7.926 -7.152 1.00 0.00 O ATOM 0 H GLU A 55 3.954 -8.112 -4.859 1.00 0.00 H new ATOM 0 HA GLU A 55 3.430 -10.807 -4.056 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.645 -11.195 -5.048 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.673 -10.188 -6.103 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.913 -8.187 -4.881 1.00 0.00 H new ATOM 0 HG3 GLU A 55 7.080 -9.419 -4.442 1.00 0.00 H new ATOM 834 N ALA A 56 5.410 -9.035 -2.122 1.00 0.00 N ATOM 835 CA ALA A 56 6.013 -8.953 -0.794 1.00 0.00 C ATOM 836 C ALA A 56 5.717 -7.598 -0.107 1.00 0.00 C ATOM 837 O ALA A 56 6.637 -6.798 0.097 1.00 0.00 O ATOM 838 CB ALA A 56 7.512 -9.252 -0.957 1.00 0.00 C ATOM 0 H ALA A 56 5.475 -8.161 -2.643 1.00 0.00 H new ATOM 0 HA ALA A 56 5.575 -9.690 -0.120 1.00 0.00 H new ATOM 0 HB1 ALA A 56 8.001 -9.201 0.016 1.00 0.00 H new ATOM 0 HB2 ALA A 56 7.640 -10.250 -1.376 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.959 -8.517 -1.627 1.00 0.00 H new ATOM 844 N PRO A 57 4.469 -7.329 0.324 1.00 0.00 N ATOM 845 CA PRO A 57 4.110 -6.028 0.888 1.00 0.00 C ATOM 846 C PRO A 57 4.746 -5.818 2.269 1.00 0.00 C ATOM 847 O PRO A 57 5.186 -4.719 2.590 1.00 0.00 O ATOM 848 CB PRO A 57 2.579 -6.011 0.909 1.00 0.00 C ATOM 849 CG PRO A 57 2.196 -7.486 1.017 1.00 0.00 C ATOM 850 CD PRO A 57 3.294 -8.181 0.211 1.00 0.00 C ATOM 0 HA PRO A 57 4.491 -5.196 0.296 1.00 0.00 H new ATOM 0 HB2 PRO A 57 2.197 -5.436 1.753 1.00 0.00 H new ATOM 0 HB3 PRO A 57 2.172 -5.558 0.005 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.179 -7.825 2.053 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.206 -7.678 0.602 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.495 -9.178 0.603 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.997 -8.302 -0.831 1.00 0.00 H new ATOM 858 N HIS A 58 4.880 -6.884 3.068 1.00 0.00 N ATOM 859 CA HIS A 58 5.564 -6.855 4.368 1.00 0.00 C ATOM 860 C HIS A 58 7.093 -6.703 4.262 1.00 0.00 C ATOM 861 O HIS A 58 7.711 -6.200 5.197 1.00 0.00 O ATOM 862 CB HIS A 58 5.176 -8.112 5.168 1.00 0.00 C ATOM 863 CG HIS A 58 5.494 -9.419 4.477 1.00 0.00 C ATOM 864 ND1 HIS A 58 6.745 -10.004 4.365 1.00 0.00 N ATOM 865 CD2 HIS A 58 4.585 -10.233 3.855 1.00 0.00 C ATOM 866 CE1 HIS A 58 6.599 -11.147 3.664 1.00 0.00 C ATOM 867 NE2 HIS A 58 5.296 -11.308 3.347 1.00 0.00 N ATOM 0 H HIS A 58 4.511 -7.804 2.827 1.00 0.00 H new ATOM 0 HA HIS A 58 5.230 -5.961 4.894 1.00 0.00 H new ATOM 0 HB2 HIS A 58 5.691 -8.089 6.129 1.00 0.00 H new ATOM 0 HB3 HIS A 58 4.107 -8.078 5.378 1.00 0.00 H new ATOM 0 HD2 HIS A 58 3.521 -10.069 3.776 1.00 0.00 H new ATOM 0 HE1 HIS A 58 7.397 -11.825 3.399 1.00 0.00 H new ATOM 0 HE2 HIS A 58 4.902 -12.089 2.822 1.00 0.00 H new ATOM 876 N SER A 59 7.713 -7.106 3.144 1.00 0.00 N ATOM 877 CA SER A 59 9.177 -7.058 2.932 1.00 0.00 C ATOM 878 C SER A 59 9.737 -5.630 2.991 1.00 0.00 C ATOM 879 O SER A 59 10.782 -5.395 3.603 1.00 0.00 O ATOM 880 CB SER A 59 9.536 -7.716 1.593 1.00 0.00 C ATOM 881 OG SER A 59 10.919 -7.620 1.288 1.00 0.00 O ATOM 0 H SER A 59 7.206 -7.483 2.343 1.00 0.00 H new ATOM 0 HA SER A 59 9.639 -7.613 3.749 1.00 0.00 H new ATOM 0 HB2 SER A 59 9.246 -8.766 1.620 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.959 -7.247 0.796 1.00 0.00 H new ATOM 0 HG SER A 59 11.095 -8.055 0.428 1.00 0.00 H new ATOM 887 N VAL A 60 9.012 -4.655 2.425 1.00 0.00 N ATOM 888 CA VAL A 60 9.367 -3.220 2.483 1.00 0.00 C ATOM 889 C VAL A 60 9.150 -2.589 3.873 1.00 0.00 C ATOM 890 O VAL A 60 9.566 -1.453 4.106 1.00 0.00 O ATOM 891 CB VAL A 60 8.607 -2.404 1.414 1.00 0.00 C ATOM 892 CG1 VAL A 60 8.726 -3.035 0.018 1.00 0.00 C ATOM 893 CG2 VAL A 60 7.126 -2.194 1.758 1.00 0.00 C ATOM 0 H VAL A 60 8.152 -4.837 1.907 1.00 0.00 H new ATOM 0 HA VAL A 60 10.436 -3.180 2.274 1.00 0.00 H new ATOM 0 HB VAL A 60 9.089 -1.426 1.405 1.00 0.00 H new ATOM 0 HG11 VAL A 60 8.177 -2.429 -0.703 1.00 0.00 H new ATOM 0 HG12 VAL A 60 9.776 -3.082 -0.272 1.00 0.00 H new ATOM 0 HG13 VAL A 60 8.310 -4.042 0.037 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.648 -1.614 0.969 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.632 -3.162 1.847 1.00 0.00 H new ATOM 0 HG23 VAL A 60 7.045 -1.657 2.703 1.00 0.00 H new ATOM 903 N GLY A 61 8.492 -3.306 4.793 1.00 0.00 N ATOM 904 CA GLY A 61 8.115 -2.854 6.136 1.00 0.00 C ATOM 905 C GLY A 61 6.675 -2.329 6.270 1.00 0.00 C ATOM 906 O GLY A 61 6.307 -1.871 7.354 1.00 0.00 O ATOM 0 H GLY A 61 8.194 -4.264 4.611 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.249 -3.682 6.832 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.802 -2.066 6.443 1.00 0.00 H new ATOM 910 N LEU A 62 5.850 -2.383 5.212 1.00 0.00 N ATOM 911 CA LEU A 62 4.435 -1.984 5.269 1.00 0.00 C ATOM 912 C LEU A 62 3.609 -2.998 6.084 1.00 0.00 C ATOM 913 O LEU A 62 3.502 -4.170 5.712 1.00 0.00 O ATOM 914 CB LEU A 62 3.847 -1.807 3.853 1.00 0.00 C ATOM 915 CG LEU A 62 2.446 -1.159 3.914 1.00 0.00 C ATOM 916 CD1 LEU A 62 2.560 0.358 3.919 1.00 0.00 C ATOM 917 CD2 LEU A 62 1.546 -1.542 2.747 1.00 0.00 C ATOM 0 H LEU A 62 6.147 -2.705 4.291 1.00 0.00 H new ATOM 0 HA LEU A 62 4.382 -1.020 5.775 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.513 -1.187 3.253 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.782 -2.776 3.358 1.00 0.00 H new ATOM 0 HG LEU A 62 1.998 -1.533 4.834 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.564 0.798 3.962 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.135 0.677 4.788 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.063 0.688 3.010 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.579 -1.050 2.856 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.009 -1.228 1.812 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.404 -2.623 2.736 1.00 0.00 H new ATOM 929 N ARG A 63 3.000 -2.535 7.180 1.00 0.00 N ATOM 930 CA ARG A 63 2.087 -3.295 8.060 1.00 0.00 C ATOM 931 C ARG A 63 0.827 -2.481 8.381 1.00 0.00 C ATOM 932 O ARG A 63 0.774 -1.278 8.128 1.00 0.00 O ATOM 933 CB ARG A 63 2.845 -3.700 9.344 1.00 0.00 C ATOM 934 CG ARG A 63 3.843 -4.854 9.134 1.00 0.00 C ATOM 935 CD ARG A 63 3.158 -6.228 9.179 1.00 0.00 C ATOM 936 NE ARG A 63 4.096 -7.314 8.828 1.00 0.00 N ATOM 937 CZ ARG A 63 3.970 -8.604 9.095 1.00 0.00 C ATOM 938 NH1 ARG A 63 2.963 -9.078 9.772 1.00 0.00 N ATOM 939 NH2 ARG A 63 4.863 -9.457 8.684 1.00 0.00 N ATOM 0 H ARG A 63 3.132 -1.575 7.499 1.00 0.00 H new ATOM 0 HA ARG A 63 1.756 -4.198 7.547 1.00 0.00 H new ATOM 0 HB2 ARG A 63 3.382 -2.832 9.728 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.122 -3.990 10.106 1.00 0.00 H new ATOM 0 HG2 ARG A 63 4.342 -4.730 8.173 1.00 0.00 H new ATOM 0 HG3 ARG A 63 4.615 -4.809 9.902 1.00 0.00 H new ATOM 0 HD2 ARG A 63 2.756 -6.402 10.177 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.314 -6.238 8.489 1.00 0.00 H new ATOM 0 HE ARG A 63 4.937 -7.038 8.322 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.238 -8.448 10.116 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.900 -10.079 9.958 1.00 0.00 H new ATOM 0 HH21 ARG A 63 5.670 -9.133 8.150 1.00 0.00 H new ATOM 0 HH22 ARG A 63 4.756 -10.449 8.895 1.00 0.00 H new ATOM 953 N LYS A 64 -0.197 -3.132 8.938 1.00 0.00 N ATOM 954 CA LYS A 64 -1.445 -2.502 9.410 1.00 0.00 C ATOM 955 C LYS A 64 -1.180 -1.724 10.713 1.00 0.00 C ATOM 956 O LYS A 64 -0.597 -2.272 11.650 1.00 0.00 O ATOM 957 CB LYS A 64 -2.519 -3.584 9.625 1.00 0.00 C ATOM 958 CG LYS A 64 -2.969 -4.260 8.315 1.00 0.00 C ATOM 959 CD LYS A 64 -3.852 -5.487 8.595 1.00 0.00 C ATOM 960 CE LYS A 64 -4.774 -5.847 7.417 1.00 0.00 C ATOM 961 NZ LYS A 64 -4.073 -6.557 6.313 1.00 0.00 N ATOM 0 H LYS A 64 -0.186 -4.142 9.080 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.806 -1.798 8.660 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.130 -4.343 10.303 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -3.385 -3.136 10.111 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -3.520 -3.544 7.704 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -2.094 -4.563 7.740 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -3.215 -6.341 8.824 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.460 -5.296 9.479 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -5.589 -6.472 7.781 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.223 -4.935 7.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -4.750 -6.770 5.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -3.312 -5.954 5.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -3.667 -7.444 6.673 1.00 0.00 H new ATOM 975 N ALA A 65 -1.572 -0.451 10.768 1.00 0.00 N ATOM 976 CA ALA A 65 -1.493 0.395 11.961 1.00 0.00 C ATOM 977 C ALA A 65 -2.650 0.103 12.944 1.00 0.00 C ATOM 978 O ALA A 65 -3.643 -0.539 12.588 1.00 0.00 O ATOM 979 CB ALA A 65 -1.482 1.867 11.521 1.00 0.00 C ATOM 0 H ALA A 65 -1.964 0.035 9.961 1.00 0.00 H new ATOM 0 HA ALA A 65 -0.572 0.173 12.500 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.423 2.509 12.400 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -0.619 2.049 10.881 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.396 2.089 10.970 1.00 0.00 H new ATOM 985 N LEU A 66 -2.524 0.583 14.185 1.00 0.00 N ATOM 986 CA LEU A 66 -3.484 0.371 15.276 1.00 0.00 C ATOM 987 C LEU A 66 -3.498 1.563 16.254 1.00 0.00 C ATOM 988 O LEU A 66 -2.468 1.918 16.832 1.00 0.00 O ATOM 989 CB LEU A 66 -3.207 -0.973 15.989 1.00 0.00 C ATOM 990 CG LEU A 66 -1.749 -1.243 16.435 1.00 0.00 C ATOM 991 CD1 LEU A 66 -1.723 -1.998 17.766 1.00 0.00 C ATOM 992 CD2 LEU A 66 -0.978 -2.092 15.419 1.00 0.00 C ATOM 0 H LEU A 66 -1.724 1.149 14.469 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.485 0.312 14.848 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.847 -1.028 16.870 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.513 -1.780 15.323 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.277 -0.265 16.526 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.690 -2.178 18.062 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.221 -1.403 18.531 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.240 -2.951 17.654 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.039 -2.254 15.777 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.476 -3.053 15.295 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.947 -1.574 14.461 1.00 0.00 H new ATOM 1004 N ALA A 67 -4.659 2.203 16.421 1.00 0.00 N ATOM 1005 CA ALA A 67 -4.848 3.310 17.367 1.00 0.00 C ATOM 1006 C ALA A 67 -4.855 2.817 18.840 1.00 0.00 C ATOM 1007 O ALA A 67 -5.130 1.637 19.089 1.00 0.00 O ATOM 1008 CB ALA A 67 -6.156 4.038 17.004 1.00 0.00 C ATOM 0 H ALA A 67 -5.503 1.966 15.899 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.010 4.002 17.288 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.316 4.865 17.695 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.088 4.423 15.987 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.991 3.341 17.073 1.00 0.00 H new ATOM 1014 N PRO A 68 -4.602 3.695 19.836 1.00 0.00 N ATOM 1015 CA PRO A 68 -4.600 3.314 21.252 1.00 0.00 C ATOM 1016 C PRO A 68 -6.008 3.030 21.810 1.00 0.00 C ATOM 1017 O PRO A 68 -6.181 2.096 22.594 1.00 0.00 O ATOM 1018 CB PRO A 68 -3.915 4.476 21.982 1.00 0.00 C ATOM 1019 CG PRO A 68 -4.190 5.682 21.087 1.00 0.00 C ATOM 1020 CD PRO A 68 -4.179 5.082 19.682 1.00 0.00 C ATOM 0 HA PRO A 68 -4.070 2.372 21.396 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -4.326 4.618 22.982 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -2.846 4.300 22.099 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -5.149 6.146 21.319 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -3.427 6.452 21.202 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -4.854 5.625 19.020 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -3.184 5.140 19.240 1.00 0.00 H new ATOM 1028 N GLU A 69 -7.021 3.811 21.413 1.00 0.00 N ATOM 1029 CA GLU A 69 -8.430 3.592 21.794 1.00 0.00 C ATOM 1030 C GLU A 69 -9.108 2.481 20.968 1.00 0.00 C ATOM 1031 O GLU A 69 -9.801 1.627 21.528 1.00 0.00 O ATOM 1032 CB GLU A 69 -9.233 4.896 21.643 1.00 0.00 C ATOM 1033 CG GLU A 69 -8.964 5.879 22.790 1.00 0.00 C ATOM 1034 CD GLU A 69 -9.976 7.042 22.771 1.00 0.00 C ATOM 1035 OE1 GLU A 69 -9.890 7.919 21.877 1.00 0.00 O ATOM 1036 OE2 GLU A 69 -10.866 7.094 23.657 1.00 0.00 O ATOM 0 H GLU A 69 -6.888 4.623 20.811 1.00 0.00 H new ATOM 0 HA GLU A 69 -8.422 3.271 22.836 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.979 5.369 20.694 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.297 4.663 21.608 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.025 5.355 23.744 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.951 6.273 22.706 1.00 0.00 H new ATOM 1043 N GLU A 70 -8.888 2.486 19.644 1.00 0.00 N ATOM 1044 CA GLU A 70 -9.560 1.652 18.621 1.00 0.00 C ATOM 1045 C GLU A 70 -11.111 1.766 18.594 1.00 0.00 C ATOM 1046 O GLU A 70 -11.774 0.923 17.947 1.00 0.00 O ATOM 1047 CB GLU A 70 -9.059 0.190 18.726 1.00 0.00 C ATOM 1048 CG GLU A 70 -8.782 -0.458 17.356 1.00 0.00 C ATOM 1049 CD GLU A 70 -9.202 -1.946 17.314 1.00 0.00 C ATOM 1050 OE1 GLU A 70 -10.368 -2.254 16.958 1.00 0.00 O ATOM 1051 OE2 GLU A 70 -8.364 -2.834 17.610 1.00 0.00 O ATOM 1052 OXT GLU A 70 -11.672 2.740 19.150 1.00 0.00 O ATOM 0 H GLU A 70 -8.195 3.108 19.228 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.272 2.055 17.650 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.147 0.168 19.322 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -9.802 -0.404 19.258 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.319 0.091 16.582 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.720 -0.376 17.126 1.00 0.00 H new TER 1059 GLU A 70