USER MOD reduce.3.24.130724 H: found=0, std=0, add=291, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 293 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 5 SER OG : rot 180:sc= -0.0979 USER MOD Single : A 7 SER OG : rot 180:sc= 0.0259 USER MOD Single : A 11 THR OG1 : rot 115:sc= 0.945 USER MOD Single : A 13 HIS : no HE2:sc= 1.14 K(o=1.1,f=-4.5!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -1.25! C(o=-1.2!,f=-13!) USER MOD Single : A 26 SER OG : rot 160:sc= 0.429! USER MOD Single : A 27 GLN : amide:sc= -0.752 K(o=-0.75,f=-5.3!) USER MOD Single : A 33 GLN : amide:sc= -0.463 K(o=-0.46,f=-1.2) USER MOD Single : A 34 ASN : amide:sc= 1.24 K(o=1.2,f=-0.021) USER MOD ----------------------------------------------------------------- ATOM 43 N SER A 5 -0.941 28.915 -6.170 1.00 0.00 N ATOM 44 CA SER A 5 -1.239 27.591 -5.616 1.00 0.00 C ATOM 45 C SER A 5 -0.073 27.023 -4.798 1.00 0.00 C ATOM 46 O SER A 5 0.080 25.805 -4.692 1.00 0.00 O ATOM 47 CB SER A 5 -1.621 26.625 -6.741 1.00 0.00 C ATOM 48 OG SER A 5 -3.029 26.438 -6.790 1.00 0.00 O ATOM 0 HA SER A 5 -2.081 27.707 -4.933 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.268 27.014 -7.696 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.127 25.666 -6.586 1.00 0.00 H new ATOM 0 HG SER A 5 -3.252 25.819 -7.516 1.00 0.00 H new ATOM 54 N LEU A 6 0.739 27.908 -4.208 1.00 0.00 N ATOM 55 CA LEU A 6 1.883 27.482 -3.393 1.00 0.00 C ATOM 56 C LEU A 6 1.456 26.492 -2.308 1.00 0.00 C ATOM 57 O LEU A 6 2.044 25.419 -2.166 1.00 0.00 O ATOM 58 CB LEU A 6 2.586 28.694 -2.764 1.00 0.00 C ATOM 59 CG LEU A 6 1.661 29.731 -2.121 1.00 0.00 C ATOM 60 CD1 LEU A 6 1.718 29.632 -0.605 1.00 0.00 C ATOM 61 CD2 LEU A 6 2.034 31.132 -2.574 1.00 0.00 C ATOM 0 H LEU A 6 0.626 28.919 -4.279 1.00 0.00 H new ATOM 0 HA LEU A 6 2.587 26.976 -4.053 1.00 0.00 H new ATOM 0 HB2 LEU A 6 3.283 28.335 -2.007 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.178 29.189 -3.534 1.00 0.00 H new ATOM 0 HG LEU A 6 0.640 29.524 -2.442 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.054 30.377 -0.167 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.402 28.636 -0.293 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.738 29.812 -0.267 1.00 0.00 H new ATOM 0 HD21 LEU A 6 1.366 31.855 -2.107 1.00 0.00 H new ATOM 0 HD22 LEU A 6 3.062 31.347 -2.283 1.00 0.00 H new ATOM 0 HD23 LEU A 6 1.942 31.200 -3.658 1.00 0.00 H new ATOM 73 N SER A 7 0.419 26.853 -1.557 1.00 0.00 N ATOM 74 CA SER A 7 -0.105 25.992 -0.494 1.00 0.00 C ATOM 75 C SER A 7 -0.924 24.838 -1.078 1.00 0.00 C ATOM 76 O SER A 7 -1.091 23.797 -0.438 1.00 0.00 O ATOM 77 CB SER A 7 -0.965 26.802 0.481 1.00 0.00 C ATOM 78 OG SER A 7 -1.805 27.716 -0.210 1.00 0.00 O ATOM 0 H SER A 7 -0.078 27.737 -1.663 1.00 0.00 H new ATOM 0 HA SER A 7 0.744 25.575 0.047 1.00 0.00 H new ATOM 0 HB2 SER A 7 -1.575 26.126 1.080 1.00 0.00 H new ATOM 0 HB3 SER A 7 -0.321 27.347 1.171 1.00 0.00 H new ATOM 0 HG SER A 7 -2.344 28.218 0.437 1.00 0.00 H new ATOM 84 N ILE A 8 -1.430 25.029 -2.295 1.00 0.00 N ATOM 85 CA ILE A 8 -2.227 24.010 -2.972 1.00 0.00 C ATOM 86 C ILE A 8 -1.363 22.901 -3.523 1.00 0.00 C ATOM 87 O ILE A 8 -1.678 21.731 -3.348 1.00 0.00 O ATOM 88 CB ILE A 8 -3.077 24.622 -4.103 1.00 0.00 C ATOM 89 CG1 ILE A 8 -4.001 25.702 -3.534 1.00 0.00 C ATOM 90 CG2 ILE A 8 -3.880 23.545 -4.824 1.00 0.00 C ATOM 91 CD1 ILE A 8 -5.309 25.167 -2.987 1.00 0.00 C ATOM 0 H ILE A 8 -1.301 25.885 -2.834 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.895 23.585 -2.223 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.410 25.081 -4.832 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -3.477 26.233 -2.739 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -4.217 26.430 -4.316 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.471 24.002 -5.617 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.199 22.811 -5.256 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -4.544 23.051 -4.115 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.908 25.993 -2.603 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.856 24.662 -3.783 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -5.105 24.461 -2.182 1.00 0.00 H new ATOM 103 N ASP A 9 -0.274 23.269 -4.164 1.00 0.00 N ATOM 104 CA ASP A 9 0.645 22.284 -4.729 1.00 0.00 C ATOM 105 C ASP A 9 0.980 21.222 -3.692 1.00 0.00 C ATOM 106 O ASP A 9 0.648 20.051 -3.864 1.00 0.00 O ATOM 107 CB ASP A 9 1.929 22.952 -5.250 1.00 0.00 C ATOM 108 CG ASP A 9 2.859 21.982 -5.974 1.00 0.00 C ATOM 109 OD1 ASP A 9 2.489 20.794 -6.144 1.00 0.00 O ATOM 110 OD2 ASP A 9 3.962 22.408 -6.367 1.00 0.00 O ATOM 0 H ASP A 9 0.003 24.240 -4.311 1.00 0.00 H new ATOM 0 HA ASP A 9 0.151 21.807 -5.576 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.660 23.762 -5.928 1.00 0.00 H new ATOM 0 HB3 ASP A 9 2.463 23.401 -4.413 1.00 0.00 H new ATOM 115 N LEU A 10 1.611 21.647 -2.607 1.00 0.00 N ATOM 116 CA LEU A 10 1.977 20.733 -1.523 1.00 0.00 C ATOM 117 C LEU A 10 0.760 19.944 -1.034 1.00 0.00 C ATOM 118 O LEU A 10 0.803 18.715 -0.943 1.00 0.00 O ATOM 119 CB LEU A 10 2.626 21.500 -0.359 1.00 0.00 C ATOM 120 CG LEU A 10 1.805 22.660 0.211 1.00 0.00 C ATOM 121 CD1 LEU A 10 1.105 22.242 1.494 1.00 0.00 C ATOM 122 CD2 LEU A 10 2.697 23.865 0.467 1.00 0.00 C ATOM 0 H LEU A 10 1.882 22.618 -2.449 1.00 0.00 H new ATOM 0 HA LEU A 10 2.705 20.023 -1.916 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.833 20.795 0.446 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.587 21.890 -0.696 1.00 0.00 H new ATOM 0 HG LEU A 10 1.047 22.935 -0.522 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.527 23.080 1.883 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.437 21.405 1.288 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.848 21.940 2.232 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.099 24.681 0.872 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.475 23.596 1.181 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.157 24.182 -0.469 1.00 0.00 H new ATOM 134 N THR A 11 -0.330 20.653 -0.736 1.00 0.00 N ATOM 135 CA THR A 11 -1.561 20.012 -0.266 1.00 0.00 C ATOM 136 C THR A 11 -2.107 19.049 -1.314 1.00 0.00 C ATOM 137 O THR A 11 -2.307 17.867 -1.030 1.00 0.00 O ATOM 138 CB THR A 11 -2.619 21.061 0.094 1.00 0.00 C ATOM 139 OG1 THR A 11 -2.068 22.071 0.922 1.00 0.00 O ATOM 140 CG2 THR A 11 -3.810 20.485 0.827 1.00 0.00 C ATOM 0 H THR A 11 -0.386 21.669 -0.811 1.00 0.00 H new ATOM 0 HA THR A 11 -1.319 19.443 0.632 1.00 0.00 H new ATOM 0 HB THR A 11 -2.953 21.465 -0.862 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.080 22.927 0.446 1.00 0.00 H new ATOM 0 HG21 THR A 11 -4.519 21.282 1.051 1.00 0.00 H new ATOM 0 HG22 THR A 11 -4.293 19.734 0.202 1.00 0.00 H new ATOM 0 HG23 THR A 11 -3.477 20.024 1.757 1.00 0.00 H new ATOM 148 N PHE A 12 -2.325 19.547 -2.529 1.00 0.00 N ATOM 149 CA PHE A 12 -2.820 18.716 -3.616 1.00 0.00 C ATOM 150 C PHE A 12 -1.879 17.533 -3.875 1.00 0.00 C ATOM 151 O PHE A 12 -2.322 16.447 -4.254 1.00 0.00 O ATOM 152 CB PHE A 12 -2.974 19.565 -4.877 1.00 0.00 C ATOM 153 CG PHE A 12 -4.396 19.736 -5.319 1.00 0.00 C ATOM 154 CD1 PHE A 12 -5.310 20.382 -4.503 1.00 0.00 C ATOM 155 CD2 PHE A 12 -4.820 19.256 -6.546 1.00 0.00 C ATOM 156 CE1 PHE A 12 -6.621 20.545 -4.902 1.00 0.00 C ATOM 157 CE2 PHE A 12 -6.131 19.415 -6.951 1.00 0.00 C ATOM 158 CZ PHE A 12 -7.033 20.061 -6.128 1.00 0.00 C ATOM 0 H PHE A 12 -2.166 20.522 -2.782 1.00 0.00 H new ATOM 0 HA PHE A 12 -3.792 18.311 -3.334 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -2.538 20.548 -4.698 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -2.404 19.106 -5.685 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -4.993 20.763 -3.543 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.118 18.752 -7.194 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -7.324 21.050 -4.256 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -6.450 19.035 -7.910 1.00 0.00 H new ATOM 0 HZ PHE A 12 -8.058 20.187 -6.443 1.00 0.00 H new ATOM 168 N HIS A 13 -0.581 17.752 -3.652 1.00 0.00 N ATOM 169 CA HIS A 13 0.423 16.713 -3.847 1.00 0.00 C ATOM 170 C HIS A 13 0.392 15.710 -2.691 1.00 0.00 C ATOM 171 O HIS A 13 0.327 14.500 -2.915 1.00 0.00 O ATOM 172 CB HIS A 13 1.813 17.345 -3.972 1.00 0.00 C ATOM 173 CG HIS A 13 2.483 17.090 -5.286 1.00 0.00 C ATOM 174 ND1 HIS A 13 2.822 18.099 -6.169 1.00 0.00 N ATOM 175 CD2 HIS A 13 2.882 15.935 -5.870 1.00 0.00 C ATOM 176 CE1 HIS A 13 3.398 17.573 -7.236 1.00 0.00 C ATOM 177 NE2 HIS A 13 3.447 16.261 -7.080 1.00 0.00 N ATOM 0 H HIS A 13 -0.203 18.645 -3.335 1.00 0.00 H new ATOM 0 HA HIS A 13 0.197 16.177 -4.768 1.00 0.00 H new ATOM 0 HB2 HIS A 13 1.726 18.421 -3.823 1.00 0.00 H new ATOM 0 HB3 HIS A 13 2.448 16.963 -3.172 1.00 0.00 H new ATOM 0 HD1 HIS A 13 2.654 19.094 -6.020 1.00 0.00 H new ATOM 0 HD2 HIS A 13 2.776 14.941 -5.461 1.00 0.00 H new ATOM 0 HE1 HIS A 13 3.766 18.122 -8.090 1.00 0.00 H new ATOM 186 N LEU A 14 0.431 16.216 -1.453 1.00 0.00 N ATOM 187 CA LEU A 14 0.399 15.347 -0.274 1.00 0.00 C ATOM 188 C LEU A 14 -0.934 14.600 -0.179 1.00 0.00 C ATOM 189 O LEU A 14 -0.955 13.391 0.072 1.00 0.00 O ATOM 190 CB LEU A 14 0.677 16.140 1.012 1.00 0.00 C ATOM 191 CG LEU A 14 -0.394 17.152 1.416 1.00 0.00 C ATOM 192 CD1 LEU A 14 -1.481 16.487 2.245 1.00 0.00 C ATOM 193 CD2 LEU A 14 0.229 18.303 2.187 1.00 0.00 C ATOM 0 H LEU A 14 0.484 17.213 -1.244 1.00 0.00 H new ATOM 0 HA LEU A 14 1.193 14.608 -0.386 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.808 15.433 1.831 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.623 16.669 0.893 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.850 17.546 0.508 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.232 17.227 2.521 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.950 15.694 1.662 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.042 16.062 3.148 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.547 19.015 2.468 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.712 17.920 3.086 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.970 18.801 1.562 1.00 0.00 H new ATOM 205 N LEU A 15 -2.048 15.311 -0.399 1.00 0.00 N ATOM 206 CA LEU A 15 -3.368 14.678 -0.349 1.00 0.00 C ATOM 207 C LEU A 15 -3.473 13.581 -1.406 1.00 0.00 C ATOM 208 O LEU A 15 -4.066 12.528 -1.167 1.00 0.00 O ATOM 209 CB LEU A 15 -4.485 15.725 -0.514 1.00 0.00 C ATOM 210 CG LEU A 15 -4.975 15.973 -1.945 1.00 0.00 C ATOM 211 CD1 LEU A 15 -6.005 14.929 -2.350 1.00 0.00 C ATOM 212 CD2 LEU A 15 -5.563 17.369 -2.067 1.00 0.00 C ATOM 0 H LEU A 15 -2.061 16.309 -0.610 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.494 14.216 0.630 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.337 15.415 0.091 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.131 16.671 -0.104 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.122 15.892 -2.618 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -6.339 15.124 -3.369 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.557 13.937 -2.299 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.858 14.977 -1.673 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.907 17.531 -3.089 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -6.404 17.471 -1.381 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.801 18.108 -1.819 1.00 0.00 H new ATOM 224 N ARG A 16 -2.858 13.820 -2.564 1.00 0.00 N ATOM 225 CA ARG A 16 -2.846 12.837 -3.641 1.00 0.00 C ATOM 226 C ARG A 16 -2.225 11.536 -3.129 1.00 0.00 C ATOM 227 O ARG A 16 -2.799 10.458 -3.277 1.00 0.00 O ATOM 228 CB ARG A 16 -2.061 13.385 -4.845 1.00 0.00 C ATOM 229 CG ARG A 16 -1.187 12.352 -5.544 1.00 0.00 C ATOM 230 CD ARG A 16 -0.581 12.895 -6.832 1.00 0.00 C ATOM 231 NE ARG A 16 -1.588 13.508 -7.707 1.00 0.00 N ATOM 232 CZ ARG A 16 -2.427 12.823 -8.477 1.00 0.00 C ATOM 233 NH1 ARG A 16 -2.387 11.506 -8.504 1.00 0.00 N ATOM 234 NH2 ARG A 16 -3.307 13.462 -9.224 1.00 0.00 N ATOM 0 H ARG A 16 -2.363 14.686 -2.778 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.866 12.635 -3.967 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.766 13.796 -5.567 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.432 14.209 -4.509 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -0.388 12.038 -4.872 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.781 11.466 -5.768 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.183 13.633 -6.588 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -0.083 12.086 -7.366 1.00 0.00 H new ATOM 0 HE ARG A 16 -1.648 14.526 -7.725 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -1.708 11.005 -7.931 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -3.035 10.988 -9.098 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -3.343 14.481 -9.210 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -3.951 12.937 -9.815 1.00 0.00 H new ATOM 248 N THR A 17 -1.056 11.660 -2.504 1.00 0.00 N ATOM 249 CA THR A 17 -0.349 10.510 -1.942 1.00 0.00 C ATOM 250 C THR A 17 -1.233 9.745 -0.954 1.00 0.00 C ATOM 251 O THR A 17 -1.310 8.515 -1.010 1.00 0.00 O ATOM 252 CB THR A 17 0.936 10.967 -1.246 1.00 0.00 C ATOM 253 OG1 THR A 17 1.817 11.563 -2.179 1.00 0.00 O ATOM 254 CG2 THR A 17 1.692 9.845 -0.568 1.00 0.00 C ATOM 0 H THR A 17 -0.576 12.550 -2.373 1.00 0.00 H new ATOM 0 HA THR A 17 -0.095 9.839 -2.763 1.00 0.00 H new ATOM 0 HB THR A 17 0.612 11.675 -0.484 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.633 11.852 -1.720 1.00 0.00 H new ATOM 0 HG21 THR A 17 2.590 10.244 -0.097 1.00 0.00 H new ATOM 0 HG22 THR A 17 1.058 9.385 0.190 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.973 9.096 -1.308 1.00 0.00 H new ATOM 262 N LEU A 18 -1.904 10.475 -0.053 1.00 0.00 N ATOM 263 CA LEU A 18 -2.780 9.850 0.944 1.00 0.00 C ATOM 264 C LEU A 18 -3.800 8.916 0.282 1.00 0.00 C ATOM 265 O LEU A 18 -4.075 7.826 0.792 1.00 0.00 O ATOM 266 CB LEU A 18 -3.481 10.925 1.797 1.00 0.00 C ATOM 267 CG LEU A 18 -4.920 11.274 1.398 1.00 0.00 C ATOM 268 CD1 LEU A 18 -5.895 10.247 1.948 1.00 0.00 C ATOM 269 CD2 LEU A 18 -5.286 12.664 1.893 1.00 0.00 C ATOM 0 H LEU A 18 -1.857 11.492 0.005 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.161 9.242 1.604 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.485 10.590 2.834 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.884 11.836 1.758 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.984 11.262 0.310 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -6.910 10.514 1.653 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.649 9.262 1.551 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.827 10.227 3.036 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.310 12.896 1.601 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.201 12.697 2.979 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.609 13.397 1.454 1.00 0.00 H new ATOM 281 N LEU A 19 -4.347 9.338 -0.859 1.00 0.00 N ATOM 282 CA LEU A 19 -5.322 8.521 -1.585 1.00 0.00 C ATOM 283 C LEU A 19 -4.628 7.557 -2.545 1.00 0.00 C ATOM 284 O LEU A 19 -5.030 6.396 -2.671 1.00 0.00 O ATOM 285 CB LEU A 19 -6.342 9.399 -2.332 1.00 0.00 C ATOM 286 CG LEU A 19 -5.757 10.501 -3.223 1.00 0.00 C ATOM 287 CD1 LEU A 19 -5.551 9.996 -4.641 1.00 0.00 C ATOM 288 CD2 LEU A 19 -6.664 11.720 -3.223 1.00 0.00 C ATOM 0 H LEU A 19 -4.134 10.234 -1.298 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.867 7.929 -0.849 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.964 8.752 -2.950 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.998 9.864 -1.596 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.787 10.788 -2.818 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.135 10.795 -5.255 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.862 9.151 -4.630 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.507 9.679 -5.057 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.234 12.493 -3.860 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -7.647 11.442 -3.602 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.762 12.101 -2.206 1.00 0.00 H new ATOM 315 N LEU A 21 -1.733 6.189 -2.282 1.00 0.00 N ATOM 316 CA LEU A 21 -1.175 5.111 -1.469 1.00 0.00 C ATOM 317 C LEU A 21 -2.283 4.166 -1.000 1.00 0.00 C ATOM 318 O LEU A 21 -2.114 2.945 -1.014 1.00 0.00 O ATOM 319 CB LEU A 21 -0.389 5.680 -0.273 1.00 0.00 C ATOM 320 CG LEU A 21 -1.210 6.017 0.977 1.00 0.00 C ATOM 321 CD1 LEU A 21 -1.350 4.796 1.873 1.00 0.00 C ATOM 322 CD2 LEU A 21 -0.564 7.159 1.743 1.00 0.00 C ATOM 0 HA LEU A 21 -0.480 4.539 -2.084 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.380 4.959 0.006 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.125 6.584 -0.600 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.205 6.327 0.659 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.936 5.057 2.754 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.853 3.999 1.326 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.361 4.456 2.182 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.159 7.386 2.628 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.442 6.870 2.047 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.511 8.041 1.105 1.00 0.00 H new ATOM 334 N ALA A 22 -3.426 4.737 -0.611 1.00 0.00 N ATOM 335 CA ALA A 22 -4.569 3.944 -0.164 1.00 0.00 C ATOM 336 C ALA A 22 -5.127 3.118 -1.317 1.00 0.00 C ATOM 337 O ALA A 22 -5.367 1.915 -1.178 1.00 0.00 O ATOM 338 CB ALA A 22 -5.643 4.849 0.425 1.00 0.00 C ATOM 0 H ALA A 22 -3.582 5.745 -0.597 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.236 3.258 0.615 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.488 4.244 0.754 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.234 5.393 1.276 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.977 5.558 -0.333 1.00 0.00 H new ATOM 344 N ARG A 23 -5.313 3.772 -2.459 1.00 0.00 N ATOM 345 CA ARG A 23 -5.825 3.106 -3.654 1.00 0.00 C ATOM 346 C ARG A 23 -4.910 1.946 -4.048 1.00 0.00 C ATOM 347 O ARG A 23 -5.370 0.813 -4.218 1.00 0.00 O ATOM 348 CB ARG A 23 -5.959 4.106 -4.808 1.00 0.00 C ATOM 349 CG ARG A 23 -7.105 5.092 -4.627 1.00 0.00 C ATOM 350 CD ARG A 23 -8.458 4.419 -4.799 1.00 0.00 C ATOM 351 NE ARG A 23 -9.159 4.266 -3.520 1.00 0.00 N ATOM 352 CZ ARG A 23 -9.864 5.224 -2.927 1.00 0.00 C ATOM 353 NH1 ARG A 23 -9.956 6.423 -3.468 1.00 0.00 N ATOM 354 NH2 ARG A 23 -10.469 4.981 -1.782 1.00 0.00 N ATOM 0 H ARG A 23 -5.117 4.765 -2.583 1.00 0.00 H new ATOM 0 HA ARG A 23 -6.814 2.705 -3.433 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.026 4.660 -4.908 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -6.106 3.558 -5.738 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -7.045 5.541 -3.636 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.006 5.901 -5.350 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.072 5.007 -5.481 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -8.321 3.440 -5.257 1.00 0.00 H new ATOM 0 HE ARG A 23 -9.101 3.361 -3.053 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -9.484 6.622 -4.350 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -10.500 7.151 -3.005 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -10.396 4.059 -1.352 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -11.010 5.715 -1.325 1.00 0.00 H new ATOM 368 N THR A 24 -3.609 2.229 -4.162 1.00 0.00 N ATOM 369 CA THR A 24 -2.631 1.194 -4.505 1.00 0.00 C ATOM 370 C THR A 24 -2.674 0.072 -3.472 1.00 0.00 C ATOM 371 O THR A 24 -2.731 -1.105 -3.829 1.00 0.00 O ATOM 372 CB THR A 24 -1.224 1.791 -4.602 1.00 0.00 C ATOM 373 OG1 THR A 24 -0.975 2.247 -5.917 1.00 0.00 O ATOM 374 CG2 THR A 24 -0.115 0.823 -4.250 1.00 0.00 C ATOM 0 H THR A 24 -3.212 3.158 -4.023 1.00 0.00 H new ATOM 0 HA THR A 24 -2.887 0.779 -5.480 1.00 0.00 H new ATOM 0 HB THR A 24 -1.213 2.602 -3.874 1.00 0.00 H new ATOM 0 HG1 THR A 24 -0.073 2.628 -5.966 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.849 1.324 -4.344 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.246 0.477 -3.225 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.148 -0.030 -4.928 1.00 0.00 H new ATOM 382 N GLN A 25 -2.682 0.444 -2.185 1.00 0.00 N ATOM 383 CA GLN A 25 -2.763 -0.544 -1.111 1.00 0.00 C ATOM 384 C GLN A 25 -4.020 -1.387 -1.300 1.00 0.00 C ATOM 385 O GLN A 25 -3.966 -2.615 -1.293 1.00 0.00 O ATOM 386 CB GLN A 25 -2.773 0.138 0.262 1.00 0.00 C ATOM 387 CG GLN A 25 -2.045 -0.651 1.341 1.00 0.00 C ATOM 388 CD GLN A 25 -0.565 -0.822 1.052 1.00 0.00 C ATOM 389 OE1 GLN A 25 -0.145 -1.823 0.470 1.00 0.00 O ATOM 390 NE2 GLN A 25 0.235 0.154 1.453 1.00 0.00 N ATOM 0 H GLN A 25 -2.634 1.412 -1.868 1.00 0.00 H new ATOM 0 HA GLN A 25 -1.884 -1.188 -1.153 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -2.314 1.123 0.172 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -3.806 0.294 0.573 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -2.167 -0.145 2.299 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -2.507 -1.634 1.439 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.153 0.967 1.932 1.00 0.00 H new ATOM 0 HE22 GLN A 25 1.239 0.093 1.283 1.00 0.00 H new ATOM 399 N SER A 26 -5.143 -0.706 -1.523 1.00 0.00 N ATOM 400 CA SER A 26 -6.420 -1.374 -1.772 1.00 0.00 C ATOM 401 C SER A 26 -6.274 -2.343 -2.939 1.00 0.00 C ATOM 402 O SER A 26 -6.723 -3.490 -2.872 1.00 0.00 O ATOM 403 CB SER A 26 -7.496 -0.347 -2.098 1.00 0.00 C ATOM 404 OG SER A 26 -8.759 -0.970 -2.313 1.00 0.00 O ATOM 0 H SER A 26 -5.194 0.313 -1.536 1.00 0.00 H new ATOM 0 HA SER A 26 -6.710 -1.922 -0.876 1.00 0.00 H new ATOM 0 HB2 SER A 26 -7.576 0.370 -1.281 1.00 0.00 H new ATOM 0 HB3 SER A 26 -7.209 0.214 -2.987 1.00 0.00 H new ATOM 0 HG SER A 26 -9.473 -0.308 -2.202 1.00 0.00 H new ATOM 410 N GLN A 27 -5.631 -1.858 -4.004 1.00 0.00 N ATOM 411 CA GLN A 27 -5.390 -2.658 -5.205 1.00 0.00 C ATOM 412 C GLN A 27 -4.851 -4.041 -4.845 1.00 0.00 C ATOM 413 O GLN A 27 -5.338 -5.051 -5.353 1.00 0.00 O ATOM 414 CB GLN A 27 -4.432 -1.932 -6.153 1.00 0.00 C ATOM 415 CG GLN A 27 -4.528 -2.419 -7.593 1.00 0.00 C ATOM 416 CD GLN A 27 -5.884 -2.134 -8.214 1.00 0.00 C ATOM 417 OE1 GLN A 27 -6.818 -2.926 -8.096 1.00 0.00 O ATOM 418 NE2 GLN A 27 -6.004 -0.993 -8.872 1.00 0.00 N ATOM 0 H GLN A 27 -5.266 -0.907 -4.058 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.343 -2.793 -5.717 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.643 -0.863 -6.123 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.410 -2.066 -5.799 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -3.751 -1.939 -8.188 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -4.336 -3.491 -7.624 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -5.206 -0.362 -8.948 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -6.894 -0.744 -9.303 1.00 0.00 H new ATOM 427 N ARG A 28 -3.875 -4.090 -3.936 1.00 0.00 N ATOM 428 CA ARG A 28 -3.330 -5.372 -3.486 1.00 0.00 C ATOM 429 C ARG A 28 -4.231 -5.949 -2.395 1.00 0.00 C ATOM 430 O ARG A 28 -4.482 -7.152 -2.356 1.00 0.00 O ATOM 431 CB ARG A 28 -1.881 -5.255 -2.996 1.00 0.00 C ATOM 432 CG ARG A 28 -1.680 -4.261 -1.873 1.00 0.00 C ATOM 433 CD ARG A 28 -0.410 -4.558 -1.083 1.00 0.00 C ATOM 434 NE ARG A 28 0.791 -4.527 -1.929 1.00 0.00 N ATOM 435 CZ ARG A 28 1.690 -3.543 -1.941 1.00 0.00 C ATOM 436 NH1 ARG A 28 1.551 -2.476 -1.172 1.00 0.00 N ATOM 437 NH2 ARG A 28 2.740 -3.628 -2.734 1.00 0.00 N ATOM 0 H ARG A 28 -3.451 -3.270 -3.503 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.310 -6.048 -4.341 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -1.543 -6.236 -2.662 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -1.248 -4.969 -3.836 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -1.627 -3.253 -2.284 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.540 -4.288 -1.204 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -0.305 -3.829 -0.280 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -0.497 -5.538 -0.614 1.00 0.00 H new ATOM 0 HE ARG A 28 0.949 -5.318 -2.554 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.744 -2.394 -0.554 1.00 0.00 H new ATOM 0 HH12 ARG A 28 2.251 -1.735 -1.197 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.861 -4.444 -3.334 1.00 0.00 H new ATOM 0 HH22 ARG A 28 3.431 -2.878 -2.747 1.00 0.00 H new ATOM 451 N GLU A 29 -4.741 -5.065 -1.530 1.00 0.00 N ATOM 452 CA GLU A 29 -5.644 -5.438 -0.449 1.00 0.00 C ATOM 453 C GLU A 29 -6.732 -6.392 -0.943 1.00 0.00 C ATOM 454 O GLU A 29 -6.874 -7.507 -0.440 1.00 0.00 O ATOM 455 CB GLU A 29 -6.277 -4.167 0.124 1.00 0.00 C ATOM 456 CG GLU A 29 -6.604 -4.263 1.596 1.00 0.00 C ATOM 457 CD GLU A 29 -8.032 -3.857 1.903 1.00 0.00 C ATOM 458 OE1 GLU A 29 -8.917 -4.736 1.878 1.00 0.00 O ATOM 459 OE2 GLU A 29 -8.265 -2.656 2.162 1.00 0.00 O ATOM 0 H GLU A 29 -4.534 -4.067 -1.565 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.078 -5.956 0.325 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.597 -3.330 -0.034 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.190 -3.945 -0.428 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -6.440 -5.286 1.935 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.920 -3.627 2.159 1.00 0.00 H new ATOM 466 N ARG A 30 -7.487 -5.940 -1.941 1.00 0.00 N ATOM 467 CA ARG A 30 -8.567 -6.739 -2.532 1.00 0.00 C ATOM 468 C ARG A 30 -8.079 -8.129 -2.957 1.00 0.00 C ATOM 469 O ARG A 30 -8.794 -9.124 -2.798 1.00 0.00 O ATOM 470 CB ARG A 30 -9.174 -6.000 -3.723 1.00 0.00 C ATOM 471 CG ARG A 30 -8.156 -5.661 -4.791 1.00 0.00 C ATOM 472 CD ARG A 30 -8.610 -4.503 -5.665 1.00 0.00 C ATOM 473 NE ARG A 30 -8.736 -3.257 -4.897 1.00 0.00 N ATOM 474 CZ ARG A 30 -8.923 -2.058 -5.437 1.00 0.00 C ATOM 475 NH1 ARG A 30 -8.926 -1.906 -6.747 1.00 0.00 N ATOM 476 NH2 ARG A 30 -9.076 -1.003 -4.665 1.00 0.00 N ATOM 0 H ARG A 30 -7.372 -5.018 -2.363 1.00 0.00 H new ATOM 0 HA ARG A 30 -9.333 -6.881 -1.769 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.961 -6.613 -4.161 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.644 -5.081 -3.372 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.206 -5.408 -4.319 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.979 -6.538 -5.414 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -7.897 -4.359 -6.477 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -9.569 -4.747 -6.122 1.00 0.00 H new ATOM 0 HE ARG A 30 -8.676 -3.317 -3.881 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -8.784 -2.713 -7.354 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -9.070 -0.981 -7.153 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -9.051 -1.106 -3.650 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -9.219 -0.083 -5.081 1.00 0.00 H new ATOM 490 N ALA A 31 -6.854 -8.193 -3.478 1.00 0.00 N ATOM 491 CA ALA A 31 -6.262 -9.459 -3.906 1.00 0.00 C ATOM 492 C ALA A 31 -5.740 -10.246 -2.703 1.00 0.00 C ATOM 493 O ALA A 31 -5.921 -11.463 -2.612 1.00 0.00 O ATOM 494 CB ALA A 31 -5.147 -9.207 -4.913 1.00 0.00 C ATOM 0 H ALA A 31 -6.252 -7.381 -3.614 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.035 -10.057 -4.390 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.715 -10.158 -5.223 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -5.553 -8.692 -5.784 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.374 -8.590 -4.454 1.00 0.00 H new ATOM 500 N GLU A 32 -5.111 -9.531 -1.772 1.00 0.00 N ATOM 501 CA GLU A 32 -4.575 -10.137 -0.557 1.00 0.00 C ATOM 502 C GLU A 32 -5.710 -10.667 0.297 1.00 0.00 C ATOM 503 O GLU A 32 -5.720 -11.838 0.674 1.00 0.00 O ATOM 504 CB GLU A 32 -3.756 -9.110 0.236 1.00 0.00 C ATOM 505 CG GLU A 32 -2.286 -9.474 0.377 1.00 0.00 C ATOM 506 CD GLU A 32 -1.566 -9.528 -0.953 1.00 0.00 C ATOM 507 OE1 GLU A 32 -1.590 -10.601 -1.591 1.00 0.00 O ATOM 508 OE2 GLU A 32 -0.978 -8.501 -1.356 1.00 0.00 O ATOM 0 H GLU A 32 -4.960 -8.524 -1.838 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.921 -10.963 -0.836 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.835 -8.140 -0.254 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.191 -9.002 1.230 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.796 -8.744 1.021 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.202 -10.442 0.870 1.00 0.00 H new ATOM 515 N GLN A 33 -6.685 -9.810 0.572 1.00 0.00 N ATOM 516 CA GLN A 33 -7.842 -10.209 1.354 1.00 0.00 C ATOM 517 C GLN A 33 -8.490 -11.434 0.719 1.00 0.00 C ATOM 518 O GLN A 33 -8.975 -12.326 1.416 1.00 0.00 O ATOM 519 CB GLN A 33 -8.839 -9.048 1.451 1.00 0.00 C ATOM 520 CG GLN A 33 -8.738 -8.246 2.746 1.00 0.00 C ATOM 521 CD GLN A 33 -7.324 -8.169 3.299 1.00 0.00 C ATOM 522 OE1 GLN A 33 -6.377 -7.866 2.579 1.00 0.00 O ATOM 523 NE2 GLN A 33 -7.173 -8.445 4.585 1.00 0.00 N ATOM 0 H GLN A 33 -6.695 -8.837 0.265 1.00 0.00 H new ATOM 0 HA GLN A 33 -7.526 -10.468 2.365 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -8.681 -8.376 0.607 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -9.851 -9.443 1.359 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -9.107 -7.236 2.569 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.389 -8.696 3.495 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -7.984 -8.693 5.152 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -6.246 -8.410 5.009 1.00 0.00 H new ATOM 532 N ASN A 34 -8.450 -11.491 -0.614 1.00 0.00 N ATOM 533 CA ASN A 34 -8.987 -12.615 -1.351 1.00 0.00 C ATOM 534 C ASN A 34 -8.298 -13.903 -0.908 1.00 0.00 C ATOM 535 O ASN A 34 -8.962 -14.870 -0.538 1.00 0.00 O ATOM 536 CB ASN A 34 -8.793 -12.389 -2.850 1.00 0.00 C ATOM 537 CG ASN A 34 -10.104 -12.244 -3.590 1.00 0.00 C ATOM 538 OD1 ASN A 34 -10.680 -13.222 -4.057 1.00 0.00 O ATOM 539 ND2 ASN A 34 -10.584 -11.016 -3.699 1.00 0.00 N ATOM 0 H ASN A 34 -8.046 -10.761 -1.200 1.00 0.00 H new ATOM 0 HA ASN A 34 -10.054 -12.706 -1.147 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -8.192 -11.493 -3.004 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -8.233 -13.224 -3.270 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -11.465 -10.854 -4.186 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -10.073 -10.231 -3.296 1.00 0.00 H new ATOM 546 N ARG A 35 -6.958 -13.900 -0.916 1.00 0.00 N ATOM 547 CA ARG A 35 -6.201 -15.074 -0.482 1.00 0.00 C ATOM 548 C ARG A 35 -6.281 -15.238 1.034 1.00 0.00 C ATOM 549 O ARG A 35 -6.359 -16.361 1.539 1.00 0.00 O ATOM 550 CB ARG A 35 -4.740 -15.013 -0.951 1.00 0.00 C ATOM 551 CG ARG A 35 -4.055 -13.679 -0.707 1.00 0.00 C ATOM 552 CD ARG A 35 -2.556 -13.759 -0.962 1.00 0.00 C ATOM 553 NE ARG A 35 -2.253 -14.373 -2.263 1.00 0.00 N ATOM 554 CZ ARG A 35 -1.838 -13.711 -3.342 1.00 0.00 C ATOM 555 NH1 ARG A 35 -1.621 -12.410 -3.312 1.00 0.00 N ATOM 556 NH2 ARG A 35 -1.626 -14.365 -4.466 1.00 0.00 N ATOM 0 H ARG A 35 -6.386 -13.109 -1.214 1.00 0.00 H new ATOM 0 HA ARG A 35 -6.655 -15.949 -0.947 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -4.176 -15.795 -0.443 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -4.704 -15.236 -2.017 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -4.494 -12.921 -1.355 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -4.233 -13.362 0.321 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -2.128 -12.757 -0.925 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -2.083 -14.338 -0.169 1.00 0.00 H new ATOM 0 HE ARG A 35 -2.369 -15.383 -2.346 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -1.771 -11.888 -2.449 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -1.303 -11.926 -4.152 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -1.780 -15.373 -4.507 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -1.308 -13.864 -5.296 1.00 0.00 H new ATOM 570 N ILE A 36 -6.300 -14.116 1.754 1.00 0.00 N ATOM 571 CA ILE A 36 -6.408 -14.143 3.214 1.00 0.00 C ATOM 572 C ILE A 36 -7.707 -14.827 3.626 1.00 0.00 C ATOM 573 O ILE A 36 -7.720 -15.693 4.503 1.00 0.00 O ATOM 574 CB ILE A 36 -6.355 -12.721 3.822 1.00 0.00 C ATOM 575 CG1 ILE A 36 -4.977 -12.089 3.596 1.00 0.00 C ATOM 576 CG2 ILE A 36 -6.684 -12.756 5.310 1.00 0.00 C ATOM 577 CD1 ILE A 36 -3.856 -12.782 4.342 1.00 0.00 C ATOM 0 H ILE A 36 -6.242 -13.180 1.353 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.555 -14.703 3.597 1.00 0.00 H new ATOM 0 HB ILE A 36 -7.104 -12.110 3.319 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.753 -12.101 2.529 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.013 -11.044 3.902 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.641 -11.745 5.716 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.686 -13.161 5.452 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.961 -13.386 5.828 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.913 -12.278 4.132 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.056 -12.747 5.413 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.792 -13.821 4.019 1.00 0.00 H new ATOM 589 N ILE A 37 -8.794 -14.441 2.964 1.00 0.00 N ATOM 590 CA ILE A 37 -10.106 -15.021 3.227 1.00 0.00 C ATOM 591 C ILE A 37 -10.177 -16.442 2.670 1.00 0.00 C ATOM 592 O ILE A 37 -10.644 -17.354 3.350 1.00 0.00 O ATOM 593 CB ILE A 37 -11.239 -14.166 2.610 1.00 0.00 C ATOM 594 CG1 ILE A 37 -11.272 -12.774 3.251 1.00 0.00 C ATOM 595 CG2 ILE A 37 -12.585 -14.859 2.775 1.00 0.00 C ATOM 596 CD1 ILE A 37 -11.620 -12.788 4.724 1.00 0.00 C ATOM 0 H ILE A 37 -8.791 -13.725 2.238 1.00 0.00 H new ATOM 0 HA ILE A 37 -10.245 -15.044 4.308 1.00 0.00 H new ATOM 0 HB ILE A 37 -11.039 -14.052 1.545 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -10.298 -12.302 3.122 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -11.998 -12.157 2.721 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -13.368 -14.242 2.335 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -12.560 -15.826 2.273 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -12.791 -15.005 3.835 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -11.624 -11.767 5.107 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -12.607 -13.230 4.861 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -10.880 -13.376 5.267 1.00 0.00 H new ATOM 608 N PHE A 38 -9.695 -16.629 1.437 1.00 0.00 N ATOM 609 CA PHE A 38 -9.692 -17.946 0.798 1.00 0.00 C ATOM 610 C PHE A 38 -9.068 -19.001 1.711 1.00 0.00 C ATOM 611 O PHE A 38 -9.620 -20.088 1.883 1.00 0.00 O ATOM 612 CB PHE A 38 -8.929 -17.885 -0.528 1.00 0.00 C ATOM 613 CG PHE A 38 -9.780 -18.178 -1.730 1.00 0.00 C ATOM 614 CD1 PHE A 38 -10.114 -19.481 -2.058 1.00 0.00 C ATOM 615 CD2 PHE A 38 -10.245 -17.148 -2.533 1.00 0.00 C ATOM 616 CE1 PHE A 38 -10.896 -19.753 -3.164 1.00 0.00 C ATOM 617 CE2 PHE A 38 -11.027 -17.414 -3.641 1.00 0.00 C ATOM 618 CZ PHE A 38 -11.353 -18.718 -3.956 1.00 0.00 C ATOM 0 H PHE A 38 -9.302 -15.883 0.862 1.00 0.00 H new ATOM 0 HA PHE A 38 -10.726 -18.231 0.606 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -8.489 -16.894 -0.638 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -8.105 -18.597 -0.495 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -9.759 -20.294 -1.442 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -9.993 -16.126 -2.290 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -11.150 -20.774 -3.409 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -11.382 -16.603 -4.259 1.00 0.00 H new ATOM 0 HZ PHE A 38 -11.965 -18.929 -4.821 1.00 0.00 H new