USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 572 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 GLY N :NH3+ -120:sc= 0.114 (180deg=0) USER MOD Single : A 3 MET CE :methyl 169:sc= -0.213 (180deg=-0.525) USER MOD Single : A 5 SER OG : rot -102:sc= 0.461 USER MOD Single : A 7 LYS NZ :NH3+ -153:sc= -0.186 (180deg=-1.17) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 156:sc= 0.0322 USER MOD Single : A 17 GLN : amide:sc= 0.0199 K(o=0.02,f=-2.2) USER MOD Single : A 19 GLN : amide:sc= -0.648 X(o=-0.65,f=-0.56) USER MOD Single : A 22 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0449) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 THR OG1 : rot 83:sc= 0.0405 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.456 USER MOD Single : A 34 GLN : amide:sc= -0.273 X(o=-0.27,f=-0.27) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 65:sc= 0.38 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.0034) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.074) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.0544 X(o=-0.054,f=-0.1) USER MOD Single : A 51 LYS NZ :NH3+ -131:sc= 0 (180deg=-0.563) USER MOD Single : A 55 GLN : amide:sc= -0.0588 K(o=-0.059,f=-0.95) USER MOD Single : A 56 ASN : amide:sc= -0.0252 K(o=-0.025,f=-1.2) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -168:sc= -0.0652 (180deg=-0.329) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.764 18.158 -6.793 1.00 0.00 N ATOM 2 CA GLY A 1 4.318 18.046 -6.482 1.00 0.00 C ATOM 3 C GLY A 1 4.032 18.356 -5.039 1.00 0.00 C ATOM 4 O GLY A 1 4.937 18.710 -4.282 1.00 0.00 O ATOM 0 H1 GLY A 1 5.906 18.880 -7.528 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.284 18.431 -5.935 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.118 17.242 -7.135 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.755 18.728 -7.119 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.974 17.038 -6.712 1.00 0.00 H new ATOM 10 N PRO A 2 2.777 18.232 -4.611 1.00 0.00 N ATOM 11 CA PRO A 2 2.359 18.481 -3.240 1.00 0.00 C ATOM 12 C PRO A 2 2.693 17.301 -2.357 1.00 0.00 C ATOM 13 O PRO A 2 2.440 17.374 -1.155 1.00 0.00 O ATOM 14 CB PRO A 2 0.835 18.639 -3.352 1.00 0.00 C ATOM 15 CG PRO A 2 0.447 17.753 -4.541 1.00 0.00 C ATOM 16 CD PRO A 2 1.645 17.903 -5.483 1.00 0.00 C ATOM 0 HA PRO A 2 2.853 19.348 -2.800 1.00 0.00 H new ATOM 0 HB2 PRO A 2 0.334 18.320 -2.438 1.00 0.00 H new ATOM 0 HB3 PRO A 2 0.555 19.678 -3.523 1.00 0.00 H new ATOM 0 HG2 PRO A 2 0.297 16.716 -4.240 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -0.479 18.087 -5.009 1.00 0.00 H new ATOM 0 HD2 PRO A 2 1.829 16.982 -6.037 1.00 0.00 H new ATOM 0 HD3 PRO A 2 1.472 18.689 -6.218 1.00 0.00 H new ATOM 24 N MET A 3 3.243 16.211 -2.939 1.00 0.00 N ATOM 25 CA MET A 3 3.576 14.997 -2.244 1.00 0.00 C ATOM 26 C MET A 3 5.017 15.050 -1.838 1.00 0.00 C ATOM 27 O MET A 3 5.789 15.889 -2.301 1.00 0.00 O ATOM 28 CB MET A 3 3.392 13.758 -3.147 1.00 0.00 C ATOM 29 CG MET A 3 1.916 13.410 -3.395 1.00 0.00 C ATOM 30 SD MET A 3 1.645 12.172 -4.700 1.00 0.00 S ATOM 31 CE MET A 3 2.878 10.927 -4.210 1.00 0.00 C ATOM 0 H MET A 3 3.464 16.175 -3.934 1.00 0.00 H new ATOM 0 HA MET A 3 2.915 14.913 -1.382 1.00 0.00 H new ATOM 0 HB2 MET A 3 3.883 13.936 -4.104 1.00 0.00 H new ATOM 0 HB3 MET A 3 3.889 12.903 -2.688 1.00 0.00 H new ATOM 0 HG2 MET A 3 1.481 13.042 -2.466 1.00 0.00 H new ATOM 0 HG3 MET A 3 1.380 14.322 -3.659 1.00 0.00 H new ATOM 0 HE1 MET A 3 2.719 10.013 -4.782 1.00 0.00 H new ATOM 0 HE2 MET A 3 3.879 11.309 -4.408 1.00 0.00 H new ATOM 0 HE3 MET A 3 2.775 10.712 -3.146 1.00 0.00 H new ATOM 41 N ALA A 4 5.393 14.107 -0.944 1.00 0.00 N ATOM 42 CA ALA A 4 6.744 13.886 -0.505 1.00 0.00 C ATOM 43 C ALA A 4 7.333 12.806 -1.362 1.00 0.00 C ATOM 44 O ALA A 4 8.508 12.857 -1.722 1.00 0.00 O ATOM 45 CB ALA A 4 6.801 13.415 0.962 1.00 0.00 C ATOM 0 H ALA A 4 4.725 13.471 -0.509 1.00 0.00 H new ATOM 0 HA ALA A 4 7.293 14.824 -0.585 1.00 0.00 H new ATOM 0 HB1 ALA A 4 7.840 13.260 1.254 1.00 0.00 H new ATOM 0 HB2 ALA A 4 6.353 14.172 1.605 1.00 0.00 H new ATOM 0 HB3 ALA A 4 6.251 12.480 1.065 1.00 0.00 H new ATOM 51 N SER A 5 6.497 11.799 -1.705 1.00 0.00 N ATOM 52 CA SER A 5 6.904 10.598 -2.390 1.00 0.00 C ATOM 53 C SER A 5 7.010 10.829 -3.871 1.00 0.00 C ATOM 54 O SER A 5 6.578 11.855 -4.393 1.00 0.00 O ATOM 55 CB SER A 5 5.941 9.415 -2.149 1.00 0.00 C ATOM 56 OG SER A 5 5.821 9.146 -0.760 1.00 0.00 O ATOM 0 H SER A 5 5.499 11.821 -1.497 1.00 0.00 H new ATOM 0 HA SER A 5 7.879 10.340 -1.977 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.961 9.645 -2.567 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.308 8.529 -2.667 1.00 0.00 H new ATOM 0 HG SER A 5 6.362 8.361 -0.531 1.00 0.00 H new ATOM 62 N ASP A 6 7.628 9.848 -4.570 1.00 0.00 N ATOM 63 CA ASP A 6 7.912 9.922 -5.981 1.00 0.00 C ATOM 64 C ASP A 6 6.738 9.392 -6.750 1.00 0.00 C ATOM 65 O ASP A 6 5.917 8.639 -6.227 1.00 0.00 O ATOM 66 CB ASP A 6 9.142 9.074 -6.400 1.00 0.00 C ATOM 67 CG ASP A 6 10.399 9.581 -5.694 1.00 0.00 C ATOM 68 OD1 ASP A 6 10.761 10.769 -5.911 1.00 0.00 O ATOM 69 OD2 ASP A 6 11.017 8.788 -4.936 1.00 0.00 O ATOM 0 H ASP A 6 7.940 8.977 -4.141 1.00 0.00 H new ATOM 0 HA ASP A 6 8.118 10.970 -6.197 1.00 0.00 H new ATOM 0 HB2 ASP A 6 8.973 8.027 -6.150 1.00 0.00 H new ATOM 0 HB3 ASP A 6 9.277 9.126 -7.480 1.00 0.00 H new ATOM 74 N LYS A 7 6.664 9.796 -8.037 1.00 0.00 N ATOM 75 CA LYS A 7 5.719 9.298 -8.998 1.00 0.00 C ATOM 76 C LYS A 7 6.575 8.566 -9.987 1.00 0.00 C ATOM 77 O LYS A 7 6.846 9.061 -11.081 1.00 0.00 O ATOM 78 CB LYS A 7 4.915 10.403 -9.734 1.00 0.00 C ATOM 79 CG LYS A 7 3.699 10.955 -8.962 1.00 0.00 C ATOM 80 CD LYS A 7 3.953 11.729 -7.653 1.00 0.00 C ATOM 81 CE LYS A 7 4.607 13.117 -7.790 1.00 0.00 C ATOM 82 NZ LYS A 7 6.065 13.039 -8.042 1.00 0.00 N ATOM 0 H LYS A 7 7.291 10.501 -8.425 1.00 0.00 H new ATOM 0 HA LYS A 7 4.962 8.691 -8.502 1.00 0.00 H new ATOM 0 HB2 LYS A 7 5.588 11.230 -9.960 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.569 10.004 -10.688 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.149 11.612 -9.635 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.044 10.115 -8.730 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.000 11.850 -7.138 1.00 0.00 H new ATOM 0 HD3 LYS A 7 4.586 11.116 -7.012 1.00 0.00 H new ATOM 0 HE2 LYS A 7 4.130 13.660 -8.606 1.00 0.00 H new ATOM 0 HE3 LYS A 7 4.430 13.689 -6.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 6.526 13.900 -7.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 6.458 12.209 -7.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 6.237 12.953 -9.064 1.00 0.00 H new ATOM 96 N ARG A 8 7.041 7.359 -9.596 1.00 0.00 N ATOM 97 CA ARG A 8 7.908 6.572 -10.429 1.00 0.00 C ATOM 98 C ARG A 8 7.692 5.133 -10.039 1.00 0.00 C ATOM 99 O ARG A 8 8.338 4.663 -9.104 1.00 0.00 O ATOM 100 CB ARG A 8 9.402 6.952 -10.248 1.00 0.00 C ATOM 101 CG ARG A 8 10.439 6.140 -11.057 1.00 0.00 C ATOM 102 CD ARG A 8 10.370 6.291 -12.587 1.00 0.00 C ATOM 103 NE ARG A 8 9.256 5.446 -13.135 1.00 0.00 N ATOM 104 CZ ARG A 8 8.868 5.494 -14.445 1.00 0.00 C ATOM 105 NH1 ARG A 8 9.503 6.309 -15.339 1.00 0.00 N ATOM 106 NH2 ARG A 8 7.828 4.715 -14.865 1.00 0.00 N ATOM 0 H ARG A 8 6.816 6.927 -8.700 1.00 0.00 H new ATOM 0 HA ARG A 8 7.671 6.751 -11.478 1.00 0.00 H new ATOM 0 HB2 ARG A 8 9.517 8.004 -10.510 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.649 6.858 -9.191 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.436 6.432 -10.728 1.00 0.00 H new ATOM 0 HG3 ARG A 8 10.318 5.085 -10.810 1.00 0.00 H new ATOM 0 HD2 ARG A 8 10.209 7.336 -12.851 1.00 0.00 H new ATOM 0 HD3 ARG A 8 11.318 5.992 -13.034 1.00 0.00 H new ATOM 0 HE ARG A 8 8.769 4.810 -12.504 1.00 0.00 H new ATOM 0 HH11 ARG A 8 10.280 6.894 -15.033 1.00 0.00 H new ATOM 0 HH12 ARG A 8 9.200 6.332 -16.313 1.00 0.00 H new ATOM 0 HH21 ARG A 8 7.348 4.105 -14.203 1.00 0.00 H new ATOM 0 HH22 ARG A 8 7.531 4.744 -15.840 1.00 0.00 H new ATOM 120 N PRO A 9 6.820 4.373 -10.697 1.00 0.00 N ATOM 121 CA PRO A 9 6.781 2.927 -10.565 1.00 0.00 C ATOM 122 C PRO A 9 7.953 2.332 -11.316 1.00 0.00 C ATOM 123 O PRO A 9 7.987 2.405 -12.544 1.00 0.00 O ATOM 124 CB PRO A 9 5.435 2.523 -11.188 1.00 0.00 C ATOM 125 CG PRO A 9 5.103 3.643 -12.182 1.00 0.00 C ATOM 126 CD PRO A 9 5.748 4.882 -11.556 1.00 0.00 C ATOM 0 HA PRO A 9 6.858 2.575 -9.536 1.00 0.00 H new ATOM 0 HB2 PRO A 9 5.507 1.558 -11.690 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.661 2.429 -10.427 1.00 0.00 H new ATOM 0 HG2 PRO A 9 5.511 3.435 -13.171 1.00 0.00 H new ATOM 0 HG3 PRO A 9 4.027 3.768 -12.301 1.00 0.00 H new ATOM 0 HD2 PRO A 9 6.143 5.549 -12.323 1.00 0.00 H new ATOM 0 HD3 PRO A 9 5.021 5.454 -10.979 1.00 0.00 H new ATOM 134 N ARG A 10 8.924 1.737 -10.583 1.00 0.00 N ATOM 135 CA ARG A 10 10.118 1.146 -11.145 1.00 0.00 C ATOM 136 C ARG A 10 9.815 -0.307 -11.436 1.00 0.00 C ATOM 137 O ARG A 10 8.713 -0.649 -11.863 1.00 0.00 O ATOM 138 CB ARG A 10 11.324 1.255 -10.175 1.00 0.00 C ATOM 139 CG ARG A 10 11.689 2.701 -9.806 1.00 0.00 C ATOM 140 CD ARG A 10 12.879 2.774 -8.840 1.00 0.00 C ATOM 141 NE ARG A 10 13.211 4.218 -8.595 1.00 0.00 N ATOM 142 CZ ARG A 10 13.902 4.648 -7.495 1.00 0.00 C ATOM 143 NH1 ARG A 10 14.371 3.764 -6.566 1.00 0.00 N ATOM 144 NH2 ARG A 10 14.119 5.984 -7.321 1.00 0.00 N ATOM 0 H ARG A 10 8.879 1.664 -9.567 1.00 0.00 H new ATOM 0 HA ARG A 10 10.394 1.679 -12.055 1.00 0.00 H new ATOM 0 HB2 ARG A 10 11.097 0.703 -9.263 1.00 0.00 H new ATOM 0 HB3 ARG A 10 12.190 0.776 -10.631 1.00 0.00 H new ATOM 0 HG2 ARG A 10 11.926 3.256 -10.714 1.00 0.00 H new ATOM 0 HG3 ARG A 10 10.825 3.187 -9.352 1.00 0.00 H new ATOM 0 HD2 ARG A 10 12.635 2.278 -7.901 1.00 0.00 H new ATOM 0 HD3 ARG A 10 13.740 2.254 -9.261 1.00 0.00 H new ATOM 0 HE ARG A 10 12.907 4.910 -9.280 1.00 0.00 H new ATOM 0 HH11 ARG A 10 14.208 2.764 -6.686 1.00 0.00 H new ATOM 0 HH12 ARG A 10 14.884 4.103 -5.752 1.00 0.00 H new ATOM 0 HH21 ARG A 10 13.767 6.651 -8.007 1.00 0.00 H new ATOM 0 HH22 ARG A 10 14.633 6.315 -6.505 1.00 0.00 H new ATOM 158 N THR A 11 10.801 -1.205 -11.189 1.00 0.00 N ATOM 159 CA THR A 11 10.638 -2.640 -11.230 1.00 0.00 C ATOM 160 C THR A 11 9.991 -3.037 -9.925 1.00 0.00 C ATOM 161 O THR A 11 9.098 -3.883 -9.887 1.00 0.00 O ATOM 162 CB THR A 11 11.962 -3.366 -11.486 1.00 0.00 C ATOM 163 OG1 THR A 11 11.775 -4.770 -11.637 1.00 0.00 O ATOM 164 CG2 THR A 11 13.037 -3.081 -10.409 1.00 0.00 C ATOM 0 H THR A 11 11.751 -0.920 -10.951 1.00 0.00 H new ATOM 0 HA THR A 11 10.005 -2.935 -12.067 1.00 0.00 H new ATOM 0 HB THR A 11 12.336 -2.959 -12.426 1.00 0.00 H new ATOM 0 HG1 THR A 11 12.641 -5.200 -11.800 1.00 0.00 H new ATOM 0 HG21 THR A 11 13.949 -3.626 -10.652 1.00 0.00 H new ATOM 0 HG22 THR A 11 13.250 -2.012 -10.381 1.00 0.00 H new ATOM 0 HG23 THR A 11 12.670 -3.403 -9.435 1.00 0.00 H new ATOM 172 N ALA A 12 10.426 -2.367 -8.836 1.00 0.00 N ATOM 173 CA ALA A 12 9.857 -2.436 -7.525 1.00 0.00 C ATOM 174 C ALA A 12 9.238 -1.085 -7.317 1.00 0.00 C ATOM 175 O ALA A 12 8.686 -0.493 -8.242 1.00 0.00 O ATOM 176 CB ALA A 12 10.922 -2.746 -6.451 1.00 0.00 C ATOM 0 H ALA A 12 11.227 -1.737 -8.878 1.00 0.00 H new ATOM 0 HA ALA A 12 9.129 -3.242 -7.437 1.00 0.00 H new ATOM 0 HB1 ALA A 12 10.448 -2.790 -5.470 1.00 0.00 H new ATOM 0 HB2 ALA A 12 11.391 -3.705 -6.670 1.00 0.00 H new ATOM 0 HB3 ALA A 12 11.680 -1.962 -6.453 1.00 0.00 H new ATOM 182 N PHE A 13 9.321 -0.580 -6.073 1.00 0.00 N ATOM 183 CA PHE A 13 8.815 0.711 -5.672 1.00 0.00 C ATOM 184 C PHE A 13 10.031 1.569 -5.440 1.00 0.00 C ATOM 185 O PHE A 13 11.161 1.094 -5.556 1.00 0.00 O ATOM 186 CB PHE A 13 7.991 0.635 -4.355 1.00 0.00 C ATOM 187 CG PHE A 13 6.650 -0.068 -4.463 1.00 0.00 C ATOM 188 CD1 PHE A 13 6.105 -0.594 -5.657 1.00 0.00 C ATOM 189 CD2 PHE A 13 5.901 -0.206 -3.281 1.00 0.00 C ATOM 190 CE1 PHE A 13 4.884 -1.279 -5.650 1.00 0.00 C ATOM 191 CE2 PHE A 13 4.671 -0.875 -3.276 1.00 0.00 C ATOM 192 CZ PHE A 13 4.167 -1.423 -4.459 1.00 0.00 C ATOM 0 H PHE A 13 9.760 -1.090 -5.306 1.00 0.00 H new ATOM 0 HA PHE A 13 8.149 1.107 -6.439 1.00 0.00 H new ATOM 0 HB2 PHE A 13 8.590 0.124 -3.601 1.00 0.00 H new ATOM 0 HB3 PHE A 13 7.822 1.649 -3.994 1.00 0.00 H new ATOM 0 HD1 PHE A 13 6.638 -0.466 -6.587 1.00 0.00 H new ATOM 0 HD2 PHE A 13 6.281 0.212 -2.360 1.00 0.00 H new ATOM 0 HE1 PHE A 13 4.495 -1.697 -6.567 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.111 -0.968 -2.357 1.00 0.00 H new ATOM 0 HZ PHE A 13 3.227 -1.955 -4.453 1.00 0.00 H new ATOM 202 N THR A 14 9.826 2.868 -5.099 1.00 0.00 N ATOM 203 CA THR A 14 10.901 3.761 -4.722 1.00 0.00 C ATOM 204 C THR A 14 11.051 3.649 -3.226 1.00 0.00 C ATOM 205 O THR A 14 10.295 2.933 -2.577 1.00 0.00 O ATOM 206 CB THR A 14 10.732 5.219 -5.161 1.00 0.00 C ATOM 207 OG1 THR A 14 9.762 5.939 -4.409 1.00 0.00 O ATOM 208 CG2 THR A 14 10.317 5.247 -6.643 1.00 0.00 C ATOM 0 H THR A 14 8.904 3.304 -5.084 1.00 0.00 H new ATOM 0 HA THR A 14 11.800 3.450 -5.253 1.00 0.00 H new ATOM 0 HB THR A 14 11.692 5.707 -4.992 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.961 6.898 -4.451 1.00 0.00 H new ATOM 0 HG21 THR A 14 10.194 6.280 -6.967 1.00 0.00 H new ATOM 0 HG22 THR A 14 11.088 4.767 -7.246 1.00 0.00 H new ATOM 0 HG23 THR A 14 9.375 4.713 -6.767 1.00 0.00 H new ATOM 216 N ALA A 15 12.027 4.380 -2.644 1.00 0.00 N ATOM 217 CA ALA A 15 12.279 4.374 -1.222 1.00 0.00 C ATOM 218 C ALA A 15 11.186 5.095 -0.477 1.00 0.00 C ATOM 219 O ALA A 15 10.822 4.700 0.629 1.00 0.00 O ATOM 220 CB ALA A 15 13.613 5.061 -0.881 1.00 0.00 C ATOM 0 H ALA A 15 12.656 4.989 -3.168 1.00 0.00 H new ATOM 0 HA ALA A 15 12.316 3.327 -0.920 1.00 0.00 H new ATOM 0 HB1 ALA A 15 13.769 5.038 0.198 1.00 0.00 H new ATOM 0 HB2 ALA A 15 14.430 4.537 -1.377 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.587 6.096 -1.221 1.00 0.00 H new ATOM 226 N GLU A 16 10.639 6.173 -1.086 1.00 0.00 N ATOM 227 CA GLU A 16 9.663 7.035 -0.482 1.00 0.00 C ATOM 228 C GLU A 16 8.270 6.483 -0.627 1.00 0.00 C ATOM 229 O GLU A 16 7.399 6.777 0.191 1.00 0.00 O ATOM 230 CB GLU A 16 9.703 8.435 -1.119 1.00 0.00 C ATOM 231 CG GLU A 16 11.068 9.124 -0.955 1.00 0.00 C ATOM 232 CD GLU A 16 10.973 10.575 -1.419 1.00 0.00 C ATOM 233 OE1 GLU A 16 10.679 10.797 -2.625 1.00 0.00 O ATOM 234 OE2 GLU A 16 11.188 11.484 -0.574 1.00 0.00 O ATOM 0 H GLU A 16 10.888 6.452 -2.035 1.00 0.00 H new ATOM 0 HA GLU A 16 9.913 7.100 0.577 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.467 8.354 -2.180 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.930 9.057 -0.667 1.00 0.00 H new ATOM 0 HG2 GLU A 16 11.382 9.086 0.088 1.00 0.00 H new ATOM 0 HG3 GLU A 16 11.825 8.596 -1.535 1.00 0.00 H new ATOM 241 N GLN A 17 8.036 5.645 -1.666 1.00 0.00 N ATOM 242 CA GLN A 17 6.771 4.984 -1.903 1.00 0.00 C ATOM 243 C GLN A 17 6.561 3.929 -0.851 1.00 0.00 C ATOM 244 O GLN A 17 5.493 3.866 -0.246 1.00 0.00 O ATOM 245 CB GLN A 17 6.686 4.308 -3.291 1.00 0.00 C ATOM 246 CG GLN A 17 6.478 5.317 -4.432 1.00 0.00 C ATOM 247 CD GLN A 17 6.410 4.593 -5.783 1.00 0.00 C ATOM 248 OE1 GLN A 17 6.687 3.394 -5.895 1.00 0.00 O ATOM 249 NE2 GLN A 17 6.016 5.368 -6.837 1.00 0.00 N ATOM 0 H GLN A 17 8.746 5.419 -2.363 1.00 0.00 H new ATOM 0 HA GLN A 17 6.002 5.755 -1.864 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.601 3.744 -3.472 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.865 3.591 -3.292 1.00 0.00 H new ATOM 0 HG2 GLN A 17 5.558 5.878 -4.266 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.294 6.039 -4.440 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.798 6.354 -6.692 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.939 4.961 -7.769 1.00 0.00 H new ATOM 258 N LEU A 18 7.613 3.114 -0.582 1.00 0.00 N ATOM 259 CA LEU A 18 7.654 2.103 0.447 1.00 0.00 C ATOM 260 C LEU A 18 7.376 2.700 1.800 1.00 0.00 C ATOM 261 O LEU A 18 6.536 2.181 2.527 1.00 0.00 O ATOM 262 CB LEU A 18 9.047 1.429 0.516 1.00 0.00 C ATOM 263 CG LEU A 18 9.374 0.523 -0.693 1.00 0.00 C ATOM 264 CD1 LEU A 18 10.883 0.244 -0.806 1.00 0.00 C ATOM 265 CD2 LEU A 18 8.579 -0.791 -0.671 1.00 0.00 C ATOM 0 H LEU A 18 8.482 3.165 -1.113 1.00 0.00 H new ATOM 0 HA LEU A 18 6.892 1.367 0.191 1.00 0.00 H new ATOM 0 HB2 LEU A 18 9.810 2.204 0.592 1.00 0.00 H new ATOM 0 HB3 LEU A 18 9.106 0.834 1.428 1.00 0.00 H new ATOM 0 HG LEU A 18 9.065 1.076 -1.580 1.00 0.00 H new ATOM 0 HD11 LEU A 18 11.071 -0.396 -1.668 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.419 1.185 -0.929 1.00 0.00 H new ATOM 0 HD13 LEU A 18 11.230 -0.255 0.099 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.845 -1.392 -1.541 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.816 -1.344 0.238 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.512 -0.571 -0.694 1.00 0.00 H new ATOM 277 N GLN A 19 8.065 3.825 2.122 1.00 0.00 N ATOM 278 CA GLN A 19 8.039 4.553 3.375 1.00 0.00 C ATOM 279 C GLN A 19 6.656 4.936 3.816 1.00 0.00 C ATOM 280 O GLN A 19 6.280 4.710 4.966 1.00 0.00 O ATOM 281 CB GLN A 19 8.931 5.818 3.268 1.00 0.00 C ATOM 282 CG GLN A 19 8.970 6.759 4.493 1.00 0.00 C ATOM 283 CD GLN A 19 7.828 7.791 4.490 1.00 0.00 C ATOM 284 OE1 GLN A 19 7.017 7.833 5.424 1.00 0.00 O ATOM 285 NE2 GLN A 19 7.780 8.640 3.419 1.00 0.00 N ATOM 0 H GLN A 19 8.694 4.263 1.449 1.00 0.00 H new ATOM 0 HA GLN A 19 8.430 3.877 4.136 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.951 5.496 3.057 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.595 6.397 2.408 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.913 6.164 5.404 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.926 7.282 4.513 1.00 0.00 H new ATOM 0 HE21 GLN A 19 8.474 8.563 2.675 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.050 9.351 3.364 1.00 0.00 H new ATOM 294 N ARG A 20 5.872 5.521 2.888 1.00 0.00 N ATOM 295 CA ARG A 20 4.525 5.988 3.119 1.00 0.00 C ATOM 296 C ARG A 20 3.604 4.845 3.462 1.00 0.00 C ATOM 297 O ARG A 20 2.771 4.962 4.358 1.00 0.00 O ATOM 298 CB ARG A 20 3.950 6.735 1.893 1.00 0.00 C ATOM 299 CG ARG A 20 2.570 7.365 2.156 1.00 0.00 C ATOM 300 CD ARG A 20 1.974 8.128 0.968 1.00 0.00 C ATOM 301 NE ARG A 20 2.825 9.326 0.668 1.00 0.00 N ATOM 302 CZ ARG A 20 2.439 10.300 -0.210 1.00 0.00 C ATOM 303 NH1 ARG A 20 1.265 10.203 -0.900 1.00 0.00 N ATOM 304 NH2 ARG A 20 3.239 11.391 -0.394 1.00 0.00 N ATOM 0 H ARG A 20 6.187 5.678 1.931 1.00 0.00 H new ATOM 0 HA ARG A 20 4.583 6.681 3.958 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.647 7.517 1.593 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.871 6.040 1.057 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.876 6.577 2.448 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.653 8.047 3.003 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.920 7.478 0.094 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.955 8.440 1.196 1.00 0.00 H new ATOM 0 HE ARG A 20 3.726 9.417 1.137 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.659 9.394 -0.765 1.00 0.00 H new ATOM 0 HH12 ARG A 20 0.994 10.940 -1.551 1.00 0.00 H new ATOM 0 HH21 ARG A 20 4.115 11.474 0.121 1.00 0.00 H new ATOM 0 HH22 ARG A 20 2.960 12.123 -1.047 1.00 0.00 H new ATOM 318 N LEU A 21 3.760 3.698 2.764 1.00 0.00 N ATOM 319 CA LEU A 21 2.933 2.531 2.960 1.00 0.00 C ATOM 320 C LEU A 21 3.256 1.801 4.234 1.00 0.00 C ATOM 321 O LEU A 21 2.405 1.063 4.719 1.00 0.00 O ATOM 322 CB LEU A 21 3.096 1.495 1.832 1.00 0.00 C ATOM 323 CG LEU A 21 2.772 2.035 0.428 1.00 0.00 C ATOM 324 CD1 LEU A 21 3.211 1.048 -0.668 1.00 0.00 C ATOM 325 CD2 LEU A 21 1.290 2.430 0.259 1.00 0.00 C ATOM 0 H LEU A 21 4.475 3.576 2.047 1.00 0.00 H new ATOM 0 HA LEU A 21 1.918 2.928 2.984 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.121 1.125 1.839 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.448 0.643 2.040 1.00 0.00 H new ATOM 0 HG LEU A 21 3.351 2.952 0.315 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.968 1.460 -1.647 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.286 0.884 -0.600 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.690 0.100 -0.534 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.126 2.803 -0.752 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.659 1.558 0.431 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.037 3.209 0.979 1.00 0.00 H new ATOM 337 N LYS A 22 4.476 1.980 4.812 1.00 0.00 N ATOM 338 CA LYS A 22 4.863 1.356 6.065 1.00 0.00 C ATOM 339 C LYS A 22 4.101 1.990 7.201 1.00 0.00 C ATOM 340 O LYS A 22 3.812 1.345 8.208 1.00 0.00 O ATOM 341 CB LYS A 22 6.360 1.517 6.447 1.00 0.00 C ATOM 342 CG LYS A 22 7.419 0.945 5.496 1.00 0.00 C ATOM 343 CD LYS A 22 7.205 -0.535 5.174 1.00 0.00 C ATOM 344 CE LYS A 22 8.276 -1.136 4.250 1.00 0.00 C ATOM 345 NZ LYS A 22 9.607 -1.146 4.899 1.00 0.00 N ATOM 0 H LYS A 22 5.205 2.566 4.405 1.00 0.00 H new ATOM 0 HA LYS A 22 4.650 0.298 5.913 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.560 2.582 6.566 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.506 1.055 7.423 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.411 1.517 4.568 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.405 1.074 5.941 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.186 -1.100 6.106 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.228 -0.657 4.707 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.995 -2.153 3.978 1.00 0.00 H new ATOM 0 HE3 LYS A 22 8.325 -0.561 3.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 10.286 -1.648 4.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 9.930 -0.168 5.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.542 -1.628 5.818 1.00 0.00 H new ATOM 359 N ALA A 23 3.757 3.288 7.034 1.00 0.00 N ATOM 360 CA ALA A 23 3.042 4.070 8.013 1.00 0.00 C ATOM 361 C ALA A 23 1.582 3.718 7.956 1.00 0.00 C ATOM 362 O ALA A 23 0.913 3.642 8.986 1.00 0.00 O ATOM 363 CB ALA A 23 3.186 5.583 7.767 1.00 0.00 C ATOM 0 H ALA A 23 3.984 3.812 6.189 1.00 0.00 H new ATOM 0 HA ALA A 23 3.468 3.840 8.990 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.631 6.130 8.529 1.00 0.00 H new ATOM 0 HB2 ALA A 23 4.239 5.861 7.816 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.790 5.831 6.782 1.00 0.00 H new ATOM 369 N GLU A 24 1.070 3.468 6.726 1.00 0.00 N ATOM 370 CA GLU A 24 -0.304 3.107 6.479 1.00 0.00 C ATOM 371 C GLU A 24 -0.489 1.614 6.584 1.00 0.00 C ATOM 372 O GLU A 24 -1.593 1.128 6.374 1.00 0.00 O ATOM 373 CB GLU A 24 -0.785 3.561 5.079 1.00 0.00 C ATOM 374 CG GLU A 24 -0.705 5.088 4.893 1.00 0.00 C ATOM 375 CD GLU A 24 -1.148 5.461 3.479 1.00 0.00 C ATOM 376 OE1 GLU A 24 -0.473 5.022 2.510 1.00 0.00 O ATOM 377 OE2 GLU A 24 -2.163 6.197 3.350 1.00 0.00 O ATOM 0 H GLU A 24 1.631 3.519 5.876 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.898 3.617 7.237 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.180 3.073 4.315 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -1.814 3.233 4.928 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -1.339 5.587 5.626 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.315 5.432 5.067 1.00 0.00 H new ATOM 384 N PHE A 25 0.569 0.838 6.936 1.00 0.00 N ATOM 385 CA PHE A 25 0.456 -0.576 7.214 1.00 0.00 C ATOM 386 C PHE A 25 0.001 -0.697 8.644 1.00 0.00 C ATOM 387 O PHE A 25 -0.905 -1.467 8.958 1.00 0.00 O ATOM 388 CB PHE A 25 1.792 -1.358 7.021 1.00 0.00 C ATOM 389 CG PHE A 25 1.551 -2.843 7.152 1.00 0.00 C ATOM 390 CD1 PHE A 25 0.980 -3.555 6.086 1.00 0.00 C ATOM 391 CD2 PHE A 25 1.770 -3.509 8.373 1.00 0.00 C ATOM 392 CE1 PHE A 25 0.574 -4.882 6.251 1.00 0.00 C ATOM 393 CE2 PHE A 25 1.358 -4.836 8.544 1.00 0.00 C ATOM 394 CZ PHE A 25 0.740 -5.516 7.489 1.00 0.00 C ATOM 0 H PHE A 25 1.519 1.199 7.029 1.00 0.00 H new ATOM 0 HA PHE A 25 -0.248 -1.017 6.508 1.00 0.00 H new ATOM 0 HB2 PHE A 25 2.214 -1.136 6.041 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.522 -1.034 7.763 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.853 -3.072 5.128 1.00 0.00 H new ATOM 0 HD2 PHE A 25 2.260 -2.992 9.185 1.00 0.00 H new ATOM 0 HE1 PHE A 25 0.132 -5.419 5.424 1.00 0.00 H new ATOM 0 HE2 PHE A 25 1.517 -5.334 9.489 1.00 0.00 H new ATOM 0 HZ PHE A 25 0.391 -6.529 7.629 1.00 0.00 H new ATOM 404 N GLN A 26 0.642 0.092 9.537 1.00 0.00 N ATOM 405 CA GLN A 26 0.415 0.090 10.959 1.00 0.00 C ATOM 406 C GLN A 26 -0.953 0.633 11.273 1.00 0.00 C ATOM 407 O GLN A 26 -1.685 0.059 12.079 1.00 0.00 O ATOM 408 CB GLN A 26 1.482 0.949 11.679 1.00 0.00 C ATOM 409 CG GLN A 26 1.401 0.902 13.216 1.00 0.00 C ATOM 410 CD GLN A 26 2.519 1.763 13.818 1.00 0.00 C ATOM 411 OE1 GLN A 26 2.255 2.844 14.359 1.00 0.00 O ATOM 412 NE2 GLN A 26 3.788 1.262 13.716 1.00 0.00 N ATOM 0 H GLN A 26 1.354 0.765 9.253 1.00 0.00 H new ATOM 0 HA GLN A 26 0.484 -0.939 11.311 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.472 0.614 11.368 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.379 1.984 11.353 1.00 0.00 H new ATOM 0 HG2 GLN A 26 0.429 1.265 13.550 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.494 -0.127 13.564 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.947 0.364 13.259 1.00 0.00 H new ATOM 0 HE22 GLN A 26 4.575 1.786 14.097 1.00 0.00 H new ATOM 421 N THR A 27 -1.323 1.757 10.617 1.00 0.00 N ATOM 422 CA THR A 27 -2.560 2.457 10.858 1.00 0.00 C ATOM 423 C THR A 27 -3.672 1.751 10.134 1.00 0.00 C ATOM 424 O THR A 27 -4.558 1.162 10.752 1.00 0.00 O ATOM 425 CB THR A 27 -2.482 3.921 10.447 1.00 0.00 C ATOM 426 OG1 THR A 27 -1.376 4.544 11.094 1.00 0.00 O ATOM 427 CG2 THR A 27 -3.774 4.667 10.847 1.00 0.00 C ATOM 0 H THR A 27 -0.746 2.192 9.898 1.00 0.00 H new ATOM 0 HA THR A 27 -2.758 2.450 11.930 1.00 0.00 H new ATOM 0 HB THR A 27 -2.359 3.966 9.365 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.556 4.359 10.590 1.00 0.00 H new ATOM 0 HG21 THR A 27 -3.699 5.712 10.545 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.628 4.206 10.351 1.00 0.00 H new ATOM 0 HG23 THR A 27 -3.907 4.610 11.927 1.00 0.00 H new ATOM 435 N ASN A 28 -3.632 1.820 8.792 1.00 0.00 N ATOM 436 CA ASN A 28 -4.695 1.427 7.910 1.00 0.00 C ATOM 437 C ASN A 28 -4.375 0.076 7.330 1.00 0.00 C ATOM 438 O ASN A 28 -4.086 -0.063 6.144 1.00 0.00 O ATOM 439 CB ASN A 28 -4.821 2.447 6.763 1.00 0.00 C ATOM 440 CG ASN A 28 -5.185 3.824 7.339 1.00 0.00 C ATOM 441 OD1 ASN A 28 -6.287 4.008 7.869 1.00 0.00 O ATOM 442 ND2 ASN A 28 -4.234 4.801 7.223 1.00 0.00 N ATOM 0 H ASN A 28 -2.814 2.169 8.292 1.00 0.00 H new ATOM 0 HA ASN A 28 -5.632 1.386 8.465 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -3.883 2.508 6.212 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -5.585 2.123 6.056 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -4.418 5.737 7.584 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -3.341 4.593 6.776 1.00 0.00 H new ATOM 449 N ARG A 29 -4.441 -0.963 8.191 1.00 0.00 N ATOM 450 CA ARG A 29 -4.067 -2.330 7.908 1.00 0.00 C ATOM 451 C ARG A 29 -4.956 -2.923 6.855 1.00 0.00 C ATOM 452 O ARG A 29 -4.501 -3.267 5.765 1.00 0.00 O ATOM 453 CB ARG A 29 -4.224 -3.163 9.199 1.00 0.00 C ATOM 454 CG ARG A 29 -3.772 -4.639 9.185 1.00 0.00 C ATOM 455 CD ARG A 29 -2.361 -4.902 8.652 1.00 0.00 C ATOM 456 NE ARG A 29 -2.441 -5.168 7.173 1.00 0.00 N ATOM 457 CZ ARG A 29 -2.769 -6.390 6.651 1.00 0.00 C ATOM 458 NH1 ARG A 29 -3.012 -7.463 7.459 1.00 0.00 N ATOM 459 NH2 ARG A 29 -2.857 -6.538 5.296 1.00 0.00 N ATOM 0 H ARG A 29 -4.777 -0.845 9.147 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.037 -2.342 7.552 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.672 -2.655 9.990 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.277 -3.142 9.481 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.833 -5.027 10.202 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.479 -5.210 8.583 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.718 -4.043 8.846 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.917 -5.755 9.165 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.242 -4.402 6.530 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.951 -7.363 8.472 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -3.255 -8.365 7.050 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -2.679 -5.742 4.683 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.101 -7.444 4.897 1.00 0.00 H new ATOM 473 N TYR A 30 -6.264 -3.042 7.177 1.00 0.00 N ATOM 474 CA TYR A 30 -7.254 -3.640 6.339 1.00 0.00 C ATOM 475 C TYR A 30 -7.853 -2.539 5.523 1.00 0.00 C ATOM 476 O TYR A 30 -8.966 -2.076 5.775 1.00 0.00 O ATOM 477 CB TYR A 30 -8.338 -4.348 7.180 1.00 0.00 C ATOM 478 CG TYR A 30 -7.705 -5.480 7.950 1.00 0.00 C ATOM 479 CD1 TYR A 30 -7.187 -6.601 7.273 1.00 0.00 C ATOM 480 CD2 TYR A 30 -7.580 -5.416 9.348 1.00 0.00 C ATOM 481 CE1 TYR A 30 -6.549 -7.628 7.979 1.00 0.00 C ATOM 482 CE2 TYR A 30 -6.944 -6.442 10.057 1.00 0.00 C ATOM 483 CZ TYR A 30 -6.423 -7.549 9.371 1.00 0.00 C ATOM 484 OH TYR A 30 -5.766 -8.577 10.083 1.00 0.00 O ATOM 0 H TYR A 30 -6.642 -2.704 8.062 1.00 0.00 H new ATOM 0 HA TYR A 30 -6.807 -4.401 5.699 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -8.803 -3.640 7.866 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -9.127 -4.729 6.532 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -7.283 -6.669 6.199 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -7.979 -4.566 9.882 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -6.154 -8.482 7.449 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -6.855 -6.381 11.132 1.00 0.00 H new ATOM 0 HH TYR A 30 -5.766 -8.364 11.040 1.00 0.00 H new ATOM 494 N LEU A 31 -7.079 -2.124 4.492 1.00 0.00 N ATOM 495 CA LEU A 31 -7.443 -1.203 3.440 1.00 0.00 C ATOM 496 C LEU A 31 -8.710 -1.629 2.757 1.00 0.00 C ATOM 497 O LEU A 31 -9.019 -2.814 2.635 1.00 0.00 O ATOM 498 CB LEU A 31 -6.412 -1.101 2.283 1.00 0.00 C ATOM 499 CG LEU A 31 -5.023 -0.526 2.628 1.00 0.00 C ATOM 500 CD1 LEU A 31 -4.125 -0.583 1.379 1.00 0.00 C ATOM 501 CD2 LEU A 31 -5.086 0.916 3.162 1.00 0.00 C ATOM 0 H LEU A 31 -6.122 -2.459 4.385 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.523 -0.251 3.965 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.271 -2.098 1.867 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.847 -0.485 1.496 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.607 -1.139 3.428 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.142 -0.177 1.619 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.021 -1.618 1.053 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.575 0.006 0.580 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.078 1.265 3.387 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.535 1.564 2.409 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.690 0.942 4.069 1.00 0.00 H new ATOM 513 N THR A 32 -9.452 -0.614 2.283 1.00 0.00 N ATOM 514 CA THR A 32 -10.671 -0.782 1.537 1.00 0.00 C ATOM 515 C THR A 32 -10.300 -0.796 0.086 1.00 0.00 C ATOM 516 O THR A 32 -9.149 -0.569 -0.277 1.00 0.00 O ATOM 517 CB THR A 32 -11.751 0.246 1.871 1.00 0.00 C ATOM 518 OG1 THR A 32 -11.442 1.562 1.433 1.00 0.00 O ATOM 519 CG2 THR A 32 -11.939 0.278 3.396 1.00 0.00 C ATOM 0 H THR A 32 -9.198 0.364 2.422 1.00 0.00 H new ATOM 0 HA THR A 32 -11.140 -1.725 1.817 1.00 0.00 H new ATOM 0 HB THR A 32 -12.655 -0.063 1.346 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.173 2.168 1.676 1.00 0.00 H new ATOM 0 HG21 THR A 32 -12.707 1.007 3.653 1.00 0.00 H new ATOM 0 HG22 THR A 32 -12.244 -0.708 3.746 1.00 0.00 H new ATOM 0 HG23 THR A 32 -10.999 0.558 3.873 1.00 0.00 H new ATOM 527 N GLU A 33 -11.295 -1.072 -0.783 1.00 0.00 N ATOM 528 CA GLU A 33 -11.131 -1.060 -2.214 1.00 0.00 C ATOM 529 C GLU A 33 -11.028 0.355 -2.716 1.00 0.00 C ATOM 530 O GLU A 33 -10.532 0.580 -3.814 1.00 0.00 O ATOM 531 CB GLU A 33 -12.303 -1.753 -2.944 1.00 0.00 C ATOM 532 CG GLU A 33 -12.439 -3.237 -2.559 1.00 0.00 C ATOM 533 CD GLU A 33 -13.564 -3.879 -3.368 1.00 0.00 C ATOM 534 OE1 GLU A 33 -14.736 -3.445 -3.202 1.00 0.00 O ATOM 535 OE2 GLU A 33 -13.268 -4.812 -4.161 1.00 0.00 O ATOM 0 H GLU A 33 -12.241 -1.310 -0.485 1.00 0.00 H new ATOM 0 HA GLU A 33 -10.215 -1.611 -2.427 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -13.232 -1.233 -2.709 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -12.155 -1.672 -4.021 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -11.500 -3.758 -2.746 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -12.647 -3.328 -1.493 1.00 0.00 H new ATOM 542 N GLN A 34 -11.503 1.333 -1.905 1.00 0.00 N ATOM 543 CA GLN A 34 -11.543 2.730 -2.264 1.00 0.00 C ATOM 544 C GLN A 34 -10.275 3.402 -1.816 1.00 0.00 C ATOM 545 O GLN A 34 -9.689 4.187 -2.557 1.00 0.00 O ATOM 546 CB GLN A 34 -12.774 3.445 -1.649 1.00 0.00 C ATOM 547 CG GLN A 34 -13.331 4.616 -2.487 1.00 0.00 C ATOM 548 CD GLN A 34 -12.343 5.786 -2.575 1.00 0.00 C ATOM 549 OE1 GLN A 34 -11.993 6.391 -1.555 1.00 0.00 O ATOM 550 NE2 GLN A 34 -11.888 6.098 -3.827 1.00 0.00 N ATOM 0 H GLN A 34 -11.870 1.146 -0.972 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.632 2.799 -3.348 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -13.567 2.711 -1.504 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -12.503 3.820 -0.662 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -13.564 4.263 -3.492 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -14.265 4.964 -2.046 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -12.211 5.565 -4.634 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -11.226 6.864 -3.953 1.00 0.00 H new ATOM 559 N ARG A 35 -9.811 3.090 -0.584 1.00 0.00 N ATOM 560 CA ARG A 35 -8.607 3.632 0.005 1.00 0.00 C ATOM 561 C ARG A 35 -7.404 3.219 -0.776 1.00 0.00 C ATOM 562 O ARG A 35 -6.536 4.038 -1.048 1.00 0.00 O ATOM 563 CB ARG A 35 -8.345 3.088 1.425 1.00 0.00 C ATOM 564 CG ARG A 35 -8.987 3.936 2.535 1.00 0.00 C ATOM 565 CD ARG A 35 -8.580 3.534 3.961 1.00 0.00 C ATOM 566 NE ARG A 35 -7.084 3.520 4.011 1.00 0.00 N ATOM 567 CZ ARG A 35 -6.303 4.626 4.210 1.00 0.00 C ATOM 568 NH1 ARG A 35 -6.817 5.789 4.700 1.00 0.00 N ATOM 569 NH2 ARG A 35 -4.972 4.555 3.910 1.00 0.00 N ATOM 0 H ARG A 35 -10.292 2.433 0.030 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.761 4.711 0.016 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.726 2.069 1.491 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -7.269 3.038 1.593 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -8.721 4.981 2.376 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -10.071 3.866 2.447 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -8.982 4.239 4.688 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -8.982 2.553 4.213 1.00 0.00 H new ATOM 0 HE ARG A 35 -6.614 2.623 3.888 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -7.809 5.852 4.929 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -6.210 6.597 4.838 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -4.577 3.688 3.545 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -4.373 5.369 4.051 1.00 0.00 H new ATOM 583 N ARG A 36 -7.343 1.916 -1.120 1.00 0.00 N ATOM 584 CA ARG A 36 -6.234 1.301 -1.816 1.00 0.00 C ATOM 585 C ARG A 36 -6.064 1.891 -3.192 1.00 0.00 C ATOM 586 O ARG A 36 -4.948 2.132 -3.648 1.00 0.00 O ATOM 587 CB ARG A 36 -6.443 -0.217 -1.955 1.00 0.00 C ATOM 588 CG ARG A 36 -5.262 -0.947 -2.604 1.00 0.00 C ATOM 589 CD ARG A 36 -5.410 -2.473 -2.600 1.00 0.00 C ATOM 590 NE ARG A 36 -6.541 -2.871 -3.508 1.00 0.00 N ATOM 591 CZ ARG A 36 -7.763 -3.311 -3.072 1.00 0.00 C ATOM 592 NH1 ARG A 36 -8.043 -3.441 -1.743 1.00 0.00 N ATOM 593 NH2 ARG A 36 -8.724 -3.618 -3.992 1.00 0.00 N ATOM 0 H ARG A 36 -8.094 1.259 -0.907 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.339 1.494 -1.224 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -6.622 -0.642 -0.967 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -7.340 -0.398 -2.547 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.153 -0.603 -3.633 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.346 -0.677 -2.079 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.482 -2.940 -2.931 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.601 -2.828 -1.587 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.388 -2.809 -4.515 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -7.334 -3.208 -1.047 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -8.961 -3.771 -1.445 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.527 -3.518 -4.988 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -9.639 -3.947 -3.683 1.00 0.00 H new ATOM 607 N GLN A 37 -7.210 2.169 -3.852 1.00 0.00 N ATOM 608 CA GLN A 37 -7.325 2.833 -5.120 1.00 0.00 C ATOM 609 C GLN A 37 -6.818 4.250 -5.087 1.00 0.00 C ATOM 610 O GLN A 37 -6.358 4.774 -6.096 1.00 0.00 O ATOM 611 CB GLN A 37 -8.811 2.878 -5.530 1.00 0.00 C ATOM 612 CG GLN A 37 -9.003 3.152 -7.020 1.00 0.00 C ATOM 613 CD GLN A 37 -10.483 3.043 -7.398 1.00 0.00 C ATOM 614 OE1 GLN A 37 -11.122 4.050 -7.723 1.00 0.00 O ATOM 615 NE2 GLN A 37 -11.030 1.789 -7.349 1.00 0.00 N ATOM 0 H GLN A 37 -8.120 1.910 -3.470 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.719 2.269 -5.829 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -9.283 1.929 -5.276 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -9.319 3.651 -4.954 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -8.632 4.147 -7.264 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.419 2.442 -7.605 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -10.456 0.992 -7.074 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -12.012 1.651 -7.588 1.00 0.00 H new ATOM 624 N SER A 38 -6.884 4.900 -3.905 1.00 0.00 N ATOM 625 CA SER A 38 -6.471 6.275 -3.736 1.00 0.00 C ATOM 626 C SER A 38 -4.980 6.345 -3.577 1.00 0.00 C ATOM 627 O SER A 38 -4.359 7.299 -4.039 1.00 0.00 O ATOM 628 CB SER A 38 -7.092 6.971 -2.509 1.00 0.00 C ATOM 629 OG SER A 38 -8.508 6.993 -2.604 1.00 0.00 O ATOM 0 H SER A 38 -7.230 4.467 -3.048 1.00 0.00 H new ATOM 0 HA SER A 38 -6.818 6.791 -4.631 1.00 0.00 H new ATOM 0 HB2 SER A 38 -6.792 6.450 -1.600 1.00 0.00 H new ATOM 0 HB3 SER A 38 -6.712 7.990 -2.433 1.00 0.00 H new ATOM 0 HG SER A 38 -8.852 6.076 -2.571 1.00 0.00 H new ATOM 635 N LEU A 39 -4.358 5.316 -2.943 1.00 0.00 N ATOM 636 CA LEU A 39 -2.924 5.249 -2.742 1.00 0.00 C ATOM 637 C LEU A 39 -2.252 4.996 -4.072 1.00 0.00 C ATOM 638 O LEU A 39 -1.106 5.383 -4.295 1.00 0.00 O ATOM 639 CB LEU A 39 -2.467 4.117 -1.780 1.00 0.00 C ATOM 640 CG LEU A 39 -3.299 3.896 -0.492 1.00 0.00 C ATOM 641 CD1 LEU A 39 -2.637 2.840 0.416 1.00 0.00 C ATOM 642 CD2 LEU A 39 -3.636 5.171 0.303 1.00 0.00 C ATOM 0 H LEU A 39 -4.860 4.514 -2.562 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.643 6.202 -2.294 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.459 3.182 -2.340 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.438 4.321 -1.485 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.262 3.528 -0.845 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.240 2.703 1.314 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.564 1.894 -0.120 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.639 3.176 0.697 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.220 4.906 1.185 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.713 5.661 0.613 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.214 5.849 -0.325 1.00 0.00 H new ATOM 654 N ALA A 40 -3.004 4.339 -4.988 1.00 0.00 N ATOM 655 CA ALA A 40 -2.615 4.020 -6.337 1.00 0.00 C ATOM 656 C ALA A 40 -2.609 5.242 -7.214 1.00 0.00 C ATOM 657 O ALA A 40 -1.838 5.325 -8.164 1.00 0.00 O ATOM 658 CB ALA A 40 -3.574 2.999 -6.967 1.00 0.00 C ATOM 0 H ALA A 40 -3.945 4.010 -4.770 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.610 3.603 -6.273 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.253 2.779 -7.985 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.567 2.082 -6.378 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.583 3.411 -6.985 1.00 0.00 H new ATOM 664 N GLN A 41 -3.473 6.241 -6.916 1.00 0.00 N ATOM 665 CA GLN A 41 -3.540 7.470 -7.677 1.00 0.00 C ATOM 666 C GLN A 41 -2.377 8.359 -7.325 1.00 0.00 C ATOM 667 O GLN A 41 -1.911 9.128 -8.164 1.00 0.00 O ATOM 668 CB GLN A 41 -4.847 8.255 -7.410 1.00 0.00 C ATOM 669 CG GLN A 41 -6.077 7.578 -8.041 1.00 0.00 C ATOM 670 CD GLN A 41 -7.369 8.232 -7.536 1.00 0.00 C ATOM 671 OE1 GLN A 41 -8.160 7.593 -6.832 1.00 0.00 O ATOM 672 NE2 GLN A 41 -7.576 9.530 -7.915 1.00 0.00 N ATOM 0 H GLN A 41 -4.133 6.199 -6.140 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.511 7.190 -8.730 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -4.999 8.348 -6.335 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.748 9.265 -7.807 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -6.024 7.655 -9.127 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -6.080 6.516 -7.796 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.888 10.007 -8.497 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -8.419 10.021 -7.615 1.00 0.00 H new ATOM 681 N GLU A 42 -1.882 8.268 -6.065 1.00 0.00 N ATOM 682 CA GLU A 42 -0.884 9.176 -5.545 1.00 0.00 C ATOM 683 C GLU A 42 0.485 8.824 -6.005 1.00 0.00 C ATOM 684 O GLU A 42 1.085 9.547 -6.800 1.00 0.00 O ATOM 685 CB GLU A 42 -0.874 9.236 -3.999 1.00 0.00 C ATOM 686 CG GLU A 42 -2.187 9.790 -3.434 1.00 0.00 C ATOM 687 CD GLU A 42 -2.331 11.274 -3.760 1.00 0.00 C ATOM 688 OE1 GLU A 42 -1.522 12.079 -3.223 1.00 0.00 O ATOM 689 OE2 GLU A 42 -3.252 11.625 -4.545 1.00 0.00 O ATOM 0 H GLU A 42 -2.178 7.555 -5.398 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.165 10.154 -5.936 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.701 8.237 -3.599 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.045 9.860 -3.666 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.030 9.238 -3.850 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.214 9.646 -2.354 1.00 0.00 H new ATOM 696 N LEU A 43 1.001 7.682 -5.509 1.00 0.00 N ATOM 697 CA LEU A 43 2.321 7.165 -5.774 1.00 0.00 C ATOM 698 C LEU A 43 2.454 6.824 -7.224 1.00 0.00 C ATOM 699 O LEU A 43 3.537 6.866 -7.800 1.00 0.00 O ATOM 700 CB LEU A 43 2.559 5.878 -4.964 1.00 0.00 C ATOM 701 CG LEU A 43 2.305 6.047 -3.451 1.00 0.00 C ATOM 702 CD1 LEU A 43 2.429 4.690 -2.744 1.00 0.00 C ATOM 703 CD2 LEU A 43 3.206 7.104 -2.787 1.00 0.00 C ATOM 0 H LEU A 43 0.466 7.079 -4.884 1.00 0.00 H new ATOM 0 HA LEU A 43 3.047 7.928 -5.493 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.909 5.091 -5.348 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.586 5.546 -5.117 1.00 0.00 H new ATOM 0 HG LEU A 43 1.288 6.423 -3.343 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.248 4.818 -1.677 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.695 3.997 -3.156 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.431 4.290 -2.897 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.971 7.167 -1.725 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.251 6.821 -2.911 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.035 8.074 -3.255 1.00 0.00 H new ATOM 715 N GLY A 44 1.300 6.500 -7.839 1.00 0.00 N ATOM 716 CA GLY A 44 1.203 6.268 -9.259 1.00 0.00 C ATOM 717 C GLY A 44 1.366 4.804 -9.476 1.00 0.00 C ATOM 718 O GLY A 44 1.960 4.365 -10.460 1.00 0.00 O ATOM 0 H GLY A 44 0.414 6.396 -7.345 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.240 6.609 -9.640 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.973 6.825 -9.794 1.00 0.00 H new ATOM 722 N LEU A 45 0.813 4.025 -8.523 1.00 0.00 N ATOM 723 CA LEU A 45 0.829 2.580 -8.559 1.00 0.00 C ATOM 724 C LEU A 45 -0.488 2.136 -9.138 1.00 0.00 C ATOM 725 O LEU A 45 -1.236 2.936 -9.695 1.00 0.00 O ATOM 726 CB LEU A 45 1.038 1.967 -7.150 1.00 0.00 C ATOM 727 CG LEU A 45 2.442 2.241 -6.556 1.00 0.00 C ATOM 728 CD1 LEU A 45 2.506 1.863 -5.066 1.00 0.00 C ATOM 729 CD2 LEU A 45 3.554 1.507 -7.322 1.00 0.00 C ATOM 0 H LEU A 45 0.341 4.405 -7.703 1.00 0.00 H new ATOM 0 HA LEU A 45 1.664 2.236 -9.169 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.282 2.366 -6.474 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.880 0.890 -7.205 1.00 0.00 H new ATOM 0 HG LEU A 45 2.610 3.313 -6.659 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.505 2.068 -4.681 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.775 2.450 -4.510 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.283 0.802 -4.950 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.519 1.732 -6.867 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.375 0.433 -7.282 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.558 1.836 -8.361 1.00 0.00 H new ATOM 741 N ASN A 46 -0.790 0.824 -9.027 1.00 0.00 N ATOM 742 CA ASN A 46 -2.083 0.272 -9.351 1.00 0.00 C ATOM 743 C ASN A 46 -2.639 -0.174 -8.033 1.00 0.00 C ATOM 744 O ASN A 46 -1.994 -0.034 -6.995 1.00 0.00 O ATOM 745 CB ASN A 46 -2.031 -0.947 -10.306 1.00 0.00 C ATOM 746 CG ASN A 46 -1.322 -0.565 -11.612 1.00 0.00 C ATOM 747 OD1 ASN A 46 -0.235 -1.077 -11.907 1.00 0.00 O ATOM 748 ND2 ASN A 46 -1.962 0.352 -12.399 1.00 0.00 N ATOM 0 H ASN A 46 -0.120 0.126 -8.704 1.00 0.00 H new ATOM 0 HA ASN A 46 -2.679 1.021 -9.872 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -1.505 -1.772 -9.826 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -3.042 -1.294 -10.520 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -1.544 0.647 -13.281 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -2.858 0.741 -12.104 1.00 0.00 H new ATOM 755 N GLU A 47 -3.869 -0.733 -8.045 1.00 0.00 N ATOM 756 CA GLU A 47 -4.489 -1.321 -6.880 1.00 0.00 C ATOM 757 C GLU A 47 -3.808 -2.616 -6.573 1.00 0.00 C ATOM 758 O GLU A 47 -3.601 -2.971 -5.419 1.00 0.00 O ATOM 759 CB GLU A 47 -5.982 -1.642 -7.099 1.00 0.00 C ATOM 760 CG GLU A 47 -6.740 -0.424 -7.639 1.00 0.00 C ATOM 761 CD GLU A 47 -8.239 -0.587 -7.405 1.00 0.00 C ATOM 762 OE1 GLU A 47 -8.648 -0.665 -6.214 1.00 0.00 O ATOM 763 OE2 GLU A 47 -8.996 -0.632 -8.410 1.00 0.00 O ATOM 0 H GLU A 47 -4.450 -0.779 -8.882 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.399 -0.595 -6.072 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -6.079 -2.473 -7.798 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.429 -1.963 -6.158 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -6.385 0.481 -7.147 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -6.542 -0.307 -8.704 1.00 0.00 H new ATOM 770 N SER A 48 -3.444 -3.321 -7.664 1.00 0.00 N ATOM 771 CA SER A 48 -2.895 -4.655 -7.691 1.00 0.00 C ATOM 772 C SER A 48 -1.514 -4.712 -7.094 1.00 0.00 C ATOM 773 O SER A 48 -1.148 -5.711 -6.480 1.00 0.00 O ATOM 774 CB SER A 48 -2.795 -5.202 -9.133 1.00 0.00 C ATOM 775 OG SER A 48 -4.078 -5.234 -9.742 1.00 0.00 O ATOM 0 H SER A 48 -3.540 -2.931 -8.601 1.00 0.00 H new ATOM 0 HA SER A 48 -3.581 -5.263 -7.101 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.123 -4.576 -9.720 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.367 -6.204 -9.119 1.00 0.00 H new ATOM 0 HG SER A 48 -3.998 -5.581 -10.655 1.00 0.00 H new ATOM 781 N GLN A 49 -0.722 -3.624 -7.254 1.00 0.00 N ATOM 782 CA GLN A 49 0.629 -3.513 -6.766 1.00 0.00 C ATOM 783 C GLN A 49 0.650 -3.470 -5.261 1.00 0.00 C ATOM 784 O GLN A 49 1.460 -4.142 -4.627 1.00 0.00 O ATOM 785 CB GLN A 49 1.293 -2.211 -7.275 1.00 0.00 C ATOM 786 CG GLN A 49 1.499 -2.154 -8.797 1.00 0.00 C ATOM 787 CD GLN A 49 2.484 -3.246 -9.236 1.00 0.00 C ATOM 788 OE1 GLN A 49 3.660 -3.219 -8.852 1.00 0.00 O ATOM 789 NE2 GLN A 49 1.982 -4.219 -10.057 1.00 0.00 N ATOM 0 H GLN A 49 -1.037 -2.787 -7.744 1.00 0.00 H new ATOM 0 HA GLN A 49 1.173 -4.384 -7.131 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.679 -1.363 -6.972 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.260 -2.096 -6.786 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.545 -2.288 -9.306 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.879 -1.174 -9.084 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.003 -4.191 -10.342 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.587 -4.972 -10.384 1.00 0.00 H new ATOM 798 N ILE A 50 -0.262 -2.664 -4.671 1.00 0.00 N ATOM 799 CA ILE A 50 -0.327 -2.397 -3.258 1.00 0.00 C ATOM 800 C ILE A 50 -1.044 -3.532 -2.562 1.00 0.00 C ATOM 801 O ILE A 50 -0.817 -3.780 -1.384 1.00 0.00 O ATOM 802 CB ILE A 50 -1.003 -1.063 -2.972 1.00 0.00 C ATOM 803 CG1 ILE A 50 -0.437 0.014 -3.926 1.00 0.00 C ATOM 804 CG2 ILE A 50 -0.768 -0.657 -1.503 1.00 0.00 C ATOM 805 CD1 ILE A 50 -1.054 1.388 -3.703 1.00 0.00 C ATOM 0 H ILE A 50 -0.985 -2.178 -5.201 1.00 0.00 H new ATOM 0 HA ILE A 50 0.689 -2.327 -2.870 1.00 0.00 H new ATOM 0 HB ILE A 50 -2.076 -1.156 -3.137 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.643 0.080 -3.791 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.611 -0.294 -4.957 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.255 0.298 -1.307 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.185 -1.419 -0.844 1.00 0.00 H new ATOM 0 HG23 ILE A 50 0.302 -0.563 -1.318 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.617 2.101 -4.402 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.130 1.334 -3.866 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.857 1.714 -2.682 1.00 0.00 H new ATOM 817 N LYS A 51 -1.900 -4.291 -3.292 1.00 0.00 N ATOM 818 CA LYS A 51 -2.634 -5.429 -2.775 1.00 0.00 C ATOM 819 C LYS A 51 -1.655 -6.491 -2.353 1.00 0.00 C ATOM 820 O LYS A 51 -1.683 -6.962 -1.220 1.00 0.00 O ATOM 821 CB LYS A 51 -3.600 -6.010 -3.839 1.00 0.00 C ATOM 822 CG LYS A 51 -4.809 -6.807 -3.305 1.00 0.00 C ATOM 823 CD LYS A 51 -4.522 -8.204 -2.719 1.00 0.00 C ATOM 824 CE LYS A 51 -3.868 -9.177 -3.711 1.00 0.00 C ATOM 825 NZ LYS A 51 -3.664 -10.507 -3.090 1.00 0.00 N ATOM 0 H LYS A 51 -2.090 -4.108 -4.277 1.00 0.00 H new ATOM 0 HA LYS A 51 -3.230 -5.099 -1.924 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.975 -5.186 -4.446 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.028 -6.660 -4.501 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.295 -6.209 -2.534 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.526 -6.921 -4.118 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.872 -8.096 -1.851 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.458 -8.637 -2.365 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -4.496 -9.277 -4.596 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.911 -8.775 -4.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.687 -10.823 -3.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.835 -10.442 -2.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.326 -11.191 -3.509 1.00 0.00 H new ATOM 839 N ILE A 52 -0.729 -6.826 -3.279 1.00 0.00 N ATOM 840 CA ILE A 52 0.340 -7.777 -3.151 1.00 0.00 C ATOM 841 C ILE A 52 1.273 -7.385 -2.037 1.00 0.00 C ATOM 842 O ILE A 52 1.668 -8.226 -1.234 1.00 0.00 O ATOM 843 CB ILE A 52 1.051 -7.867 -4.499 1.00 0.00 C ATOM 844 CG1 ILE A 52 0.144 -8.640 -5.488 1.00 0.00 C ATOM 845 CG2 ILE A 52 2.453 -8.489 -4.361 1.00 0.00 C ATOM 846 CD1 ILE A 52 0.657 -8.655 -6.932 1.00 0.00 C ATOM 0 H ILE A 52 -0.732 -6.389 -4.201 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.049 -8.760 -2.887 1.00 0.00 H new ATOM 0 HB ILE A 52 1.218 -6.865 -4.895 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.040 -9.668 -5.141 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.852 -8.196 -5.473 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.928 -8.537 -5.341 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.059 -7.876 -3.693 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.366 -9.495 -3.951 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.036 -9.217 -7.559 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.733 -7.632 -7.302 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.639 -9.127 -6.964 1.00 0.00 H new ATOM 858 N TRP A 53 1.617 -6.083 -1.968 1.00 0.00 N ATOM 859 CA TRP A 53 2.509 -5.495 -0.991 1.00 0.00 C ATOM 860 C TRP A 53 1.995 -5.654 0.427 1.00 0.00 C ATOM 861 O TRP A 53 2.781 -5.888 1.339 1.00 0.00 O ATOM 862 CB TRP A 53 2.761 -3.987 -1.281 1.00 0.00 C ATOM 863 CG TRP A 53 3.851 -3.306 -0.460 1.00 0.00 C ATOM 864 CD1 TRP A 53 5.171 -3.114 -0.760 1.00 0.00 C ATOM 865 CD2 TRP A 53 3.642 -2.707 0.832 1.00 0.00 C ATOM 866 NE1 TRP A 53 5.791 -2.408 0.248 1.00 0.00 N ATOM 867 CE2 TRP A 53 4.871 -2.150 1.237 1.00 0.00 C ATOM 868 CE3 TRP A 53 2.517 -2.614 1.637 1.00 0.00 C ATOM 869 CZ2 TRP A 53 4.984 -1.488 2.456 1.00 0.00 C ATOM 870 CZ3 TRP A 53 2.643 -2.007 2.892 1.00 0.00 C ATOM 871 CH2 TRP A 53 3.866 -1.463 3.299 1.00 0.00 C ATOM 0 H TRP A 53 1.255 -5.395 -2.629 1.00 0.00 H new ATOM 0 HA TRP A 53 3.450 -6.038 -1.078 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.013 -3.881 -2.336 1.00 0.00 H new ATOM 0 HB3 TRP A 53 1.827 -3.449 -1.120 1.00 0.00 H new ATOM 0 HD1 TRP A 53 5.658 -3.465 -1.658 1.00 0.00 H new ATOM 0 HE1 TRP A 53 6.771 -2.124 0.259 1.00 0.00 H new ATOM 0 HE3 TRP A 53 1.565 -3.001 1.303 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 5.907 -1.007 2.744 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.789 -1.958 3.552 1.00 0.00 H new ATOM 0 HH2 TRP A 53 3.949 -1.017 4.279 1.00 0.00 H new ATOM 882 N PHE A 54 0.661 -5.537 0.649 1.00 0.00 N ATOM 883 CA PHE A 54 0.061 -5.628 1.965 1.00 0.00 C ATOM 884 C PHE A 54 0.030 -7.065 2.438 1.00 0.00 C ATOM 885 O PHE A 54 0.085 -7.310 3.641 1.00 0.00 O ATOM 886 CB PHE A 54 -1.376 -5.022 2.017 1.00 0.00 C ATOM 887 CG PHE A 54 -1.357 -3.592 2.524 1.00 0.00 C ATOM 888 CD1 PHE A 54 -0.916 -2.523 1.722 1.00 0.00 C ATOM 889 CD2 PHE A 54 -1.774 -3.302 3.836 1.00 0.00 C ATOM 890 CE1 PHE A 54 -0.847 -1.220 2.225 1.00 0.00 C ATOM 891 CE2 PHE A 54 -1.730 -1.996 4.339 1.00 0.00 C ATOM 892 CZ PHE A 54 -1.254 -0.954 3.535 1.00 0.00 C ATOM 0 H PHE A 54 -0.015 -5.376 -0.098 1.00 0.00 H new ATOM 0 HA PHE A 54 0.687 -5.036 2.633 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -1.821 -5.051 1.022 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.006 -5.631 2.665 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.625 -2.712 0.699 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.135 -4.101 4.467 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.479 -0.419 1.601 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -2.063 -1.793 5.346 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.201 0.052 3.925 1.00 0.00 H new ATOM 902 N GLN A 55 -0.021 -8.053 1.506 1.00 0.00 N ATOM 903 CA GLN A 55 0.003 -9.461 1.816 1.00 0.00 C ATOM 904 C GLN A 55 1.408 -9.938 2.098 1.00 0.00 C ATOM 905 O GLN A 55 1.600 -10.925 2.805 1.00 0.00 O ATOM 906 CB GLN A 55 -0.544 -10.311 0.645 1.00 0.00 C ATOM 907 CG GLN A 55 -2.017 -10.042 0.281 1.00 0.00 C ATOM 908 CD GLN A 55 -2.944 -10.251 1.483 1.00 0.00 C ATOM 909 OE1 GLN A 55 -3.551 -9.289 1.970 1.00 0.00 O ATOM 910 NE2 GLN A 55 -3.053 -11.531 1.952 1.00 0.00 N ATOM 0 H GLN A 55 -0.081 -7.863 0.506 1.00 0.00 H new ATOM 0 HA GLN A 55 -0.626 -9.586 2.698 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.072 -10.129 -0.236 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.434 -11.365 0.898 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.121 -9.021 -0.086 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.318 -10.704 -0.531 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -2.527 -12.283 1.508 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -3.661 -11.733 2.746 1.00 0.00 H new ATOM 919 N ASN A 56 2.422 -9.233 1.548 1.00 0.00 N ATOM 920 CA ASN A 56 3.829 -9.522 1.718 1.00 0.00 C ATOM 921 C ASN A 56 4.267 -9.114 3.097 1.00 0.00 C ATOM 922 O ASN A 56 5.086 -9.785 3.722 1.00 0.00 O ATOM 923 CB ASN A 56 4.692 -8.710 0.725 1.00 0.00 C ATOM 924 CG ASN A 56 4.578 -9.267 -0.702 1.00 0.00 C ATOM 925 OD1 ASN A 56 4.036 -10.354 -0.935 1.00 0.00 O ATOM 926 ND2 ASN A 56 5.112 -8.475 -1.682 1.00 0.00 N ATOM 0 H ASN A 56 2.257 -8.420 0.954 1.00 0.00 H new ATOM 0 HA ASN A 56 3.961 -10.591 1.549 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.377 -7.666 0.736 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.734 -8.732 1.044 1.00 0.00 H new ATOM 0 HD21 ASN A 56 5.073 -8.774 -2.657 1.00 0.00 H new ATOM 0 HD22 ASN A 56 5.549 -7.586 -1.438 1.00 0.00 H new ATOM 933 N LYS A 57 3.699 -7.991 3.592 1.00 0.00 N ATOM 934 CA LYS A 57 3.947 -7.438 4.904 1.00 0.00 C ATOM 935 C LYS A 57 3.137 -8.122 5.980 1.00 0.00 C ATOM 936 O LYS A 57 3.054 -7.639 7.109 1.00 0.00 O ATOM 937 CB LYS A 57 3.657 -5.919 4.931 1.00 0.00 C ATOM 938 CG LYS A 57 4.615 -5.099 4.049 1.00 0.00 C ATOM 939 CD LYS A 57 6.091 -5.162 4.477 1.00 0.00 C ATOM 940 CE LYS A 57 6.372 -4.451 5.808 1.00 0.00 C ATOM 941 NZ LYS A 57 7.817 -4.492 6.138 1.00 0.00 N ATOM 0 H LYS A 57 3.033 -7.439 3.052 1.00 0.00 H new ATOM 0 HA LYS A 57 5.003 -7.611 5.114 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.633 -5.746 4.601 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.725 -5.562 5.959 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.533 -5.452 3.021 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.293 -4.058 4.055 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.393 -6.206 4.561 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.707 -4.714 3.697 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.038 -3.415 5.748 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.800 -4.925 6.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.981 -4.005 7.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.127 -5.482 6.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 8.358 -4.018 5.387 1.00 0.00 H new ATOM 955 N ARG A 58 2.573 -9.306 5.660 1.00 0.00 N ATOM 956 CA ARG A 58 2.027 -10.236 6.622 1.00 0.00 C ATOM 957 C ARG A 58 3.062 -11.302 6.811 1.00 0.00 C ATOM 958 O ARG A 58 3.394 -11.683 7.933 1.00 0.00 O ATOM 959 CB ARG A 58 0.735 -10.947 6.152 1.00 0.00 C ATOM 960 CG ARG A 58 -0.450 -10.003 5.904 1.00 0.00 C ATOM 961 CD ARG A 58 -1.710 -10.775 5.484 1.00 0.00 C ATOM 962 NE ARG A 58 -2.807 -9.793 5.207 1.00 0.00 N ATOM 963 CZ ARG A 58 -4.123 -10.154 5.119 1.00 0.00 C ATOM 964 NH1 ARG A 58 -4.509 -11.455 5.252 1.00 0.00 N ATOM 965 NH2 ARG A 58 -5.066 -9.193 4.884 1.00 0.00 N ATOM 0 H ARG A 58 2.492 -9.632 4.697 1.00 0.00 H new ATOM 0 HA ARG A 58 1.777 -9.673 7.521 1.00 0.00 H new ATOM 0 HB2 ARG A 58 0.948 -11.493 5.233 1.00 0.00 H new ATOM 0 HB3 ARG A 58 0.447 -11.684 6.901 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -0.657 -9.433 6.809 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -0.187 -9.284 5.128 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -1.507 -11.375 4.597 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.011 -11.465 6.273 1.00 0.00 H new ATOM 0 HE ARG A 58 -2.561 -8.811 5.078 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -3.811 -12.179 5.420 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.496 -11.704 5.183 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -4.785 -8.218 4.776 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -6.051 -9.450 4.816 1.00 0.00 H new ATOM 979 N ALA A 59 3.575 -11.808 5.667 1.00 0.00 N ATOM 980 CA ALA A 59 4.423 -12.968 5.556 1.00 0.00 C ATOM 981 C ALA A 59 5.888 -12.609 5.631 1.00 0.00 C ATOM 982 O ALA A 59 6.713 -13.254 4.987 1.00 0.00 O ATOM 983 CB ALA A 59 4.167 -13.704 4.225 1.00 0.00 C ATOM 0 H ALA A 59 3.386 -11.380 4.761 1.00 0.00 H new ATOM 0 HA ALA A 59 4.176 -13.615 6.398 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.817 -14.577 4.161 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.126 -14.023 4.180 1.00 0.00 H new ATOM 0 HB3 ALA A 59 4.377 -13.033 3.392 1.00 0.00 H new ATOM 989 N LYS A 60 6.247 -11.576 6.434 1.00 0.00 N ATOM 990 CA LYS A 60 7.596 -11.117 6.670 1.00 0.00 C ATOM 991 C LYS A 60 8.497 -12.199 7.202 1.00 0.00 C ATOM 992 O LYS A 60 9.602 -12.398 6.698 1.00 0.00 O ATOM 993 CB LYS A 60 7.597 -9.940 7.668 1.00 0.00 C ATOM 994 CG LYS A 60 6.379 -9.037 7.446 1.00 0.00 C ATOM 995 CD LYS A 60 6.501 -7.634 8.028 1.00 0.00 C ATOM 996 CE LYS A 60 6.638 -7.579 9.553 1.00 0.00 C ATOM 997 NZ LYS A 60 6.662 -6.174 10.022 1.00 0.00 N ATOM 0 H LYS A 60 5.555 -11.030 6.948 1.00 0.00 H new ATOM 0 HA LYS A 60 7.983 -10.800 5.702 1.00 0.00 H new ATOM 0 HB2 LYS A 60 7.590 -10.323 8.689 1.00 0.00 H new ATOM 0 HB3 LYS A 60 8.512 -9.359 7.551 1.00 0.00 H new ATOM 0 HG2 LYS A 60 6.197 -8.955 6.374 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.504 -9.520 7.881 1.00 0.00 H new ATOM 0 HD2 LYS A 60 7.367 -7.145 7.582 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.624 -7.057 7.735 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.807 -8.110 10.018 1.00 0.00 H new ATOM 0 HE3 LYS A 60 7.552 -8.087 9.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 6.755 -6.155 11.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 7.469 -5.678 9.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.778 -5.701 9.745 1.00 0.00 H new ATOM 1011 N ILE A 61 8.009 -12.948 8.224 1.00 0.00 N ATOM 1012 CA ILE A 61 8.690 -14.099 8.766 1.00 0.00 C ATOM 1013 C ILE A 61 8.328 -15.246 7.858 1.00 0.00 C ATOM 1014 O ILE A 61 7.170 -15.414 7.479 1.00 0.00 O ATOM 1015 CB ILE A 61 8.311 -14.413 10.211 1.00 0.00 C ATOM 1016 CG1 ILE A 61 8.426 -13.134 11.078 1.00 0.00 C ATOM 1017 CG2 ILE A 61 9.212 -15.551 10.750 1.00 0.00 C ATOM 1018 CD1 ILE A 61 8.101 -13.372 12.553 1.00 0.00 C ATOM 0 H ILE A 61 7.121 -12.748 8.683 1.00 0.00 H new ATOM 0 HA ILE A 61 9.763 -13.910 8.801 1.00 0.00 H new ATOM 0 HB ILE A 61 7.276 -14.752 10.256 1.00 0.00 H new ATOM 0 HG12 ILE A 61 9.438 -12.737 10.996 1.00 0.00 H new ATOM 0 HG13 ILE A 61 7.752 -12.374 10.683 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.939 -15.773 11.782 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.076 -16.443 10.139 1.00 0.00 H new ATOM 0 HG23 ILE A 61 10.256 -15.239 10.710 1.00 0.00 H new ATOM 0 HD11 ILE A 61 8.201 -12.436 13.103 1.00 0.00 H new ATOM 0 HD12 ILE A 61 7.079 -13.740 12.646 1.00 0.00 H new ATOM 0 HD13 ILE A 61 8.791 -14.109 12.963 1.00 0.00 H new ATOM 1030 N LYS A 62 9.352 -16.037 7.468 1.00 0.00 N ATOM 1031 CA LYS A 62 9.234 -17.102 6.497 1.00 0.00 C ATOM 1032 C LYS A 62 8.738 -18.350 7.176 1.00 0.00 C ATOM 1033 O LYS A 62 7.972 -19.119 6.598 1.00 0.00 O ATOM 1034 CB LYS A 62 10.570 -17.381 5.758 1.00 0.00 C ATOM 1035 CG LYS A 62 11.782 -17.682 6.661 1.00 0.00 C ATOM 1036 CD LYS A 62 13.093 -17.921 5.892 1.00 0.00 C ATOM 1037 CE LYS A 62 13.644 -16.668 5.196 1.00 0.00 C ATOM 1038 NZ LYS A 62 14.930 -16.958 4.523 1.00 0.00 N ATOM 0 H LYS A 62 10.297 -15.935 7.839 1.00 0.00 H new ATOM 0 HA LYS A 62 8.517 -16.783 5.740 1.00 0.00 H new ATOM 0 HB2 LYS A 62 10.422 -18.226 5.085 1.00 0.00 H new ATOM 0 HB3 LYS A 62 10.808 -16.517 5.137 1.00 0.00 H new ATOM 0 HG2 LYS A 62 11.924 -16.850 7.350 1.00 0.00 H new ATOM 0 HG3 LYS A 62 11.562 -18.562 7.265 1.00 0.00 H new ATOM 0 HD2 LYS A 62 13.845 -18.300 6.584 1.00 0.00 H new ATOM 0 HD3 LYS A 62 12.928 -18.697 5.144 1.00 0.00 H new ATOM 0 HE2 LYS A 62 12.921 -16.306 4.466 1.00 0.00 H new ATOM 0 HE3 LYS A 62 13.784 -15.873 5.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 15.282 -16.096 4.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 15.625 -17.282 5.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 14.788 -17.701 3.809 1.00 0.00 H new ATOM 1052 N LYS A 63 9.162 -18.550 8.444 1.00 0.00 N ATOM 1053 CA LYS A 63 8.790 -19.650 9.289 1.00 0.00 C ATOM 1054 C LYS A 63 7.659 -19.177 10.165 1.00 0.00 C ATOM 1055 O LYS A 63 7.032 -18.155 9.888 1.00 0.00 O ATOM 1056 CB LYS A 63 10.002 -20.134 10.127 1.00 0.00 C ATOM 1057 CG LYS A 63 10.740 -19.017 10.890 1.00 0.00 C ATOM 1058 CD LYS A 63 12.064 -19.458 11.543 1.00 0.00 C ATOM 1059 CE LYS A 63 13.313 -19.280 10.661 1.00 0.00 C ATOM 1060 NZ LYS A 63 13.311 -20.172 9.477 1.00 0.00 N ATOM 0 H LYS A 63 9.803 -17.904 8.905 1.00 0.00 H new ATOM 0 HA LYS A 63 8.467 -20.505 8.695 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.657 -20.879 10.844 1.00 0.00 H new ATOM 0 HB3 LYS A 63 10.710 -20.632 9.464 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.944 -18.197 10.201 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.080 -18.626 11.664 1.00 0.00 H new ATOM 0 HD2 LYS A 63 12.204 -18.892 12.464 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.982 -20.508 11.823 1.00 0.00 H new ATOM 0 HE2 LYS A 63 13.373 -18.243 10.329 1.00 0.00 H new ATOM 0 HE3 LYS A 63 14.204 -19.477 11.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 14.252 -20.162 9.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 13.078 -21.141 9.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 12.602 -19.839 8.793 1.00 0.00 H new ATOM 1074 N ALA A 64 7.357 -19.936 11.245 1.00 0.00 N ATOM 1075 CA ALA A 64 6.294 -19.628 12.169 1.00 0.00 C ATOM 1076 C ALA A 64 6.808 -18.611 13.151 1.00 0.00 C ATOM 1077 O ALA A 64 6.560 -17.416 12.995 1.00 0.00 O ATOM 1078 CB ALA A 64 5.792 -20.880 12.917 1.00 0.00 C ATOM 0 H ALA A 64 7.866 -20.787 11.483 1.00 0.00 H new ATOM 0 HA ALA A 64 5.445 -19.235 11.609 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.992 -20.598 13.602 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.415 -21.607 12.198 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.614 -21.321 13.481 1.00 0.00 H new ATOM 1084 N THR A 65 7.558 -19.078 14.175 1.00 0.00 N ATOM 1085 CA THR A 65 8.150 -18.236 15.186 1.00 0.00 C ATOM 1086 C THR A 65 9.591 -18.064 14.787 1.00 0.00 C ATOM 1087 O THR A 65 10.219 -18.990 14.277 1.00 0.00 O ATOM 1088 CB THR A 65 7.997 -18.803 16.599 1.00 0.00 C ATOM 1089 OG1 THR A 65 8.471 -17.897 17.592 1.00 0.00 O ATOM 1090 CG2 THR A 65 8.671 -20.184 16.767 1.00 0.00 C ATOM 0 H THR A 65 7.760 -20.069 14.305 1.00 0.00 H new ATOM 0 HA THR A 65 7.638 -17.275 15.235 1.00 0.00 H new ATOM 0 HB THR A 65 6.926 -18.942 16.745 1.00 0.00 H new ATOM 0 HG1 THR A 65 8.354 -18.295 18.480 1.00 0.00 H new ATOM 0 HG21 THR A 65 8.530 -20.536 17.789 1.00 0.00 H new ATOM 0 HG22 THR A 65 8.222 -20.895 16.073 1.00 0.00 H new ATOM 0 HG23 THR A 65 9.737 -20.096 16.558 1.00 0.00 H new ATOM 1098 N GLN A 66 10.136 -16.844 15.006 1.00 0.00 N ATOM 1099 CA GLN A 66 11.491 -16.501 14.660 1.00 0.00 C ATOM 1100 C GLN A 66 12.397 -16.866 15.804 1.00 0.00 C ATOM 1101 O GLN A 66 11.941 -17.279 16.871 1.00 0.00 O ATOM 1102 CB GLN A 66 11.654 -14.996 14.324 1.00 0.00 C ATOM 1103 CG GLN A 66 11.251 -14.044 15.467 1.00 0.00 C ATOM 1104 CD GLN A 66 11.458 -12.594 15.011 1.00 0.00 C ATOM 1105 OE1 GLN A 66 12.586 -12.191 14.700 1.00 0.00 O ATOM 1106 NE2 GLN A 66 10.343 -11.804 14.978 1.00 0.00 N ATOM 0 H GLN A 66 9.620 -16.076 15.435 1.00 0.00 H new ATOM 0 HA GLN A 66 11.758 -17.061 13.764 1.00 0.00 H new ATOM 0 HB2 GLN A 66 12.694 -14.806 14.058 1.00 0.00 H new ATOM 0 HB3 GLN A 66 11.052 -14.765 13.445 1.00 0.00 H new ATOM 0 HG2 GLN A 66 10.209 -14.206 15.741 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.850 -14.248 16.355 1.00 0.00 H new ATOM 0 HE21 GLN A 66 9.437 -12.189 15.245 1.00 0.00 H new ATOM 0 HE22 GLN A 66 10.417 -10.829 14.686 1.00 0.00 H new ATOM 1115 N ALA A 67 13.724 -16.720 15.588 1.00 0.00 N ATOM 1116 CA ALA A 67 14.728 -16.994 16.585 1.00 0.00 C ATOM 1117 C ALA A 67 14.843 -15.772 17.506 1.00 0.00 C ATOM 1118 O ALA A 67 14.603 -15.932 18.732 1.00 0.00 O ATOM 1119 CB ALA A 67 16.110 -17.272 15.964 1.00 0.00 C ATOM 1120 OXT ALA A 67 15.165 -14.665 16.994 1.00 0.00 O ATOM 0 H ALA A 67 14.110 -16.404 14.698 1.00 0.00 H new ATOM 0 HA ALA A 67 14.423 -17.886 17.132 1.00 0.00 H new ATOM 0 HB1 ALA A 67 16.831 -17.473 16.756 1.00 0.00 H new ATOM 0 HB2 ALA A 67 16.045 -18.138 15.305 1.00 0.00 H new ATOM 0 HB3 ALA A 67 16.433 -16.403 15.391 1.00 0.00 H new TER 1126 ALA A 67