USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 579 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 MET CE :methyl 178:sc= 0 (180deg=-0.00656) USER MOD Single : A 1 MET N :NH3+ 173:sc= -0.0358 (180deg=-0.103) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -71:sc= -0.718 USER MOD Single : A 39 HIS : no HD1:sc= -1.77! K(o=-1.8!,f=-0.0029) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HE2:sc= 0.387 K(o=0.39,f=-4.3!) USER MOD Single : A 58 ASN : amide:sc= -0.153 K(o=-0.15,f=-2.3!) USER MOD Single : A 62 ASN : amide:sc= -0.241 K(o=-0.24,f=-1.4!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0554 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.785 -10.096 3.301 1.00 0.00 N ATOM 2 CA MET A 1 -2.019 -9.437 2.788 1.00 0.00 C ATOM 3 C MET A 1 -2.454 -8.280 3.694 1.00 0.00 C ATOM 4 O MET A 1 -3.648 -8.057 3.897 1.00 0.00 O ATOM 5 CB MET A 1 -3.132 -10.486 2.705 1.00 0.00 C ATOM 6 CG MET A 1 -2.948 -11.488 1.576 1.00 0.00 C ATOM 7 SD MET A 1 -3.266 -13.184 2.099 1.00 0.00 S ATOM 8 CE MET A 1 -1.673 -13.634 2.784 1.00 0.00 C ATOM 0 H1 MET A 1 -0.584 -10.945 2.735 1.00 0.00 H new ATOM 0 H2 MET A 1 0.016 -9.436 3.231 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.924 -10.367 4.295 1.00 0.00 H new ATOM 0 HA MET A 1 -1.815 -9.020 1.802 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.182 -11.024 3.651 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.088 -9.978 2.576 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.618 -11.233 0.755 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.931 -11.414 1.192 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.721 -14.647 3.183 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.915 -13.587 2.003 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.412 -12.941 3.584 1.00 0.00 H new ATOM 20 N GLU A 2 -1.480 -7.549 4.237 1.00 0.00 N ATOM 21 CA GLU A 2 -1.772 -6.421 5.120 1.00 0.00 C ATOM 22 C GLU A 2 -1.282 -5.107 4.520 1.00 0.00 C ATOM 23 O GLU A 2 -0.411 -5.097 3.649 1.00 0.00 O ATOM 24 CB GLU A 2 -1.130 -6.630 6.494 1.00 0.00 C ATOM 25 CG GLU A 2 -1.305 -8.035 7.050 1.00 0.00 C ATOM 26 CD GLU A 2 -0.521 -8.255 8.330 1.00 0.00 C ATOM 27 OE1 GLU A 2 -0.798 -7.549 9.325 1.00 0.00 O ATOM 28 OE2 GLU A 2 0.369 -9.131 8.338 1.00 0.00 O ATOM 0 H GLU A 2 -0.486 -7.717 4.081 1.00 0.00 H new ATOM 0 HA GLU A 2 -2.855 -6.367 5.235 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -0.065 -6.408 6.424 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -1.559 -5.916 7.197 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -2.363 -8.218 7.240 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -0.985 -8.761 6.302 1.00 0.00 H new ATOM 35 N TRP A 3 -1.849 -4.000 4.995 1.00 0.00 N ATOM 36 CA TRP A 3 -1.475 -2.677 4.510 1.00 0.00 C ATOM 37 C TRP A 3 -1.679 -1.626 5.601 1.00 0.00 C ATOM 38 O TRP A 3 -2.637 -1.693 6.371 1.00 0.00 O ATOM 39 CB TRP A 3 -2.308 -2.320 3.271 1.00 0.00 C ATOM 40 CG TRP A 3 -2.070 -0.931 2.748 1.00 0.00 C ATOM 41 CD1 TRP A 3 -2.428 0.241 3.351 1.00 0.00 C ATOM 42 CD2 TRP A 3 -1.437 -0.572 1.517 1.00 0.00 C ATOM 43 NE1 TRP A 3 -2.047 1.305 2.574 1.00 0.00 N ATOM 44 CE2 TRP A 3 -1.440 0.834 1.441 1.00 0.00 C ATOM 45 CE3 TRP A 3 -0.867 -1.300 0.469 1.00 0.00 C ATOM 46 CZ2 TRP A 3 -0.889 1.523 0.365 1.00 0.00 C ATOM 47 CZ3 TRP A 3 -0.323 -0.615 -0.601 1.00 0.00 C ATOM 48 CH2 TRP A 3 -0.339 0.785 -0.646 1.00 0.00 C ATOM 0 H TRP A 3 -2.570 -3.995 5.716 1.00 0.00 H new ATOM 0 HA TRP A 3 -0.419 -2.691 4.239 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -2.088 -3.037 2.480 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -3.365 -2.429 3.514 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -2.937 0.319 4.301 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -2.192 2.288 2.803 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -0.852 -2.380 0.495 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -0.896 2.602 0.330 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 0.121 -1.168 -1.415 1.00 0.00 H new ATOM 0 HH2 TRP A 3 0.092 1.292 -1.497 1.00 0.00 H new ATOM 59 N LYS A 4 -0.775 -0.654 5.649 1.00 0.00 N ATOM 60 CA LYS A 4 -0.848 0.430 6.627 1.00 0.00 C ATOM 61 C LYS A 4 -0.501 1.758 5.954 1.00 0.00 C ATOM 62 O LYS A 4 0.321 1.791 5.041 1.00 0.00 O ATOM 63 CB LYS A 4 0.104 0.166 7.793 1.00 0.00 C ATOM 64 CG LYS A 4 -0.586 -0.370 9.038 1.00 0.00 C ATOM 65 CD LYS A 4 0.401 -1.061 9.968 1.00 0.00 C ATOM 66 CE LYS A 4 0.315 -2.577 9.849 1.00 0.00 C ATOM 67 NZ LYS A 4 -0.702 -3.156 10.773 1.00 0.00 N ATOM 0 H LYS A 4 0.024 -0.593 5.018 1.00 0.00 H new ATOM 0 HA LYS A 4 -1.864 0.481 7.018 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.865 -0.547 7.475 1.00 0.00 H new ATOM 0 HB3 LYS A 4 0.621 1.092 8.045 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -1.073 0.449 9.567 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -1.368 -1.072 8.748 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.414 -0.734 9.733 1.00 0.00 H new ATOM 0 HD3 LYS A 4 0.201 -0.764 10.998 1.00 0.00 H new ATOM 0 HE2 LYS A 4 0.066 -2.846 8.822 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.290 -3.013 10.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -0.727 -4.189 10.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -0.452 -2.922 11.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -1.638 -2.761 10.551 1.00 0.00 H new ATOM 81 N LEU A 5 -1.136 2.845 6.390 1.00 0.00 N ATOM 82 CA LEU A 5 -0.876 4.156 5.794 1.00 0.00 C ATOM 83 C LEU A 5 -0.793 5.254 6.857 1.00 0.00 C ATOM 84 O LEU A 5 -1.281 5.093 7.975 1.00 0.00 O ATOM 85 CB LEU A 5 -1.969 4.484 4.772 1.00 0.00 C ATOM 86 CG LEU A 5 -1.548 5.401 3.621 1.00 0.00 C ATOM 87 CD1 LEU A 5 -0.296 4.873 2.932 1.00 0.00 C ATOM 88 CD2 LEU A 5 -2.687 5.545 2.623 1.00 0.00 C ATOM 0 H LEU A 5 -1.824 2.846 7.143 1.00 0.00 H new ATOM 0 HA LEU A 5 0.091 4.115 5.292 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -2.339 3.549 4.351 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -2.803 4.950 5.297 1.00 0.00 H new ATOM 0 HG LEU A 5 -1.315 6.383 4.032 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.019 5.543 2.118 1.00 0.00 H new ATOM 0 HD12 LEU A 5 0.520 4.819 3.652 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -0.493 3.878 2.532 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -2.377 6.199 1.808 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -2.946 4.565 2.222 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -3.556 5.974 3.122 1.00 0.00 H new ATOM 100 N PHE A 6 -0.162 6.375 6.497 1.00 0.00 N ATOM 101 CA PHE A 6 -0.012 7.505 7.416 1.00 0.00 C ATOM 102 C PHE A 6 -1.222 8.442 7.349 1.00 0.00 C ATOM 103 O PHE A 6 -2.103 8.277 6.502 1.00 0.00 O ATOM 104 CB PHE A 6 1.266 8.288 7.096 1.00 0.00 C ATOM 105 CG PHE A 6 2.238 8.339 8.240 1.00 0.00 C ATOM 106 CD1 PHE A 6 3.149 7.315 8.432 1.00 0.00 C ATOM 107 CD2 PHE A 6 2.237 9.406 9.126 1.00 0.00 C ATOM 108 CE1 PHE A 6 4.041 7.351 9.484 1.00 0.00 C ATOM 109 CE2 PHE A 6 3.127 9.448 10.181 1.00 0.00 C ATOM 110 CZ PHE A 6 4.032 8.418 10.361 1.00 0.00 C ATOM 0 H PHE A 6 0.252 6.524 5.577 1.00 0.00 H new ATOM 0 HA PHE A 6 0.055 7.102 8.427 1.00 0.00 H new ATOM 0 HB2 PHE A 6 1.755 7.834 6.234 1.00 0.00 H new ATOM 0 HB3 PHE A 6 0.998 9.305 6.811 1.00 0.00 H new ATOM 0 HD1 PHE A 6 3.162 6.478 7.750 1.00 0.00 H new ATOM 0 HD2 PHE A 6 1.532 10.213 8.989 1.00 0.00 H new ATOM 0 HE1 PHE A 6 4.746 6.545 9.622 1.00 0.00 H new ATOM 0 HE2 PHE A 6 3.116 10.284 10.865 1.00 0.00 H new ATOM 0 HZ PHE A 6 4.730 8.448 11.185 1.00 0.00 H new ATOM 120 N ALA A 7 -1.248 9.431 8.247 1.00 0.00 N ATOM 121 CA ALA A 7 -2.337 10.409 8.297 1.00 0.00 C ATOM 122 C ALA A 7 -2.373 11.282 7.041 1.00 0.00 C ATOM 123 O ALA A 7 -3.425 11.802 6.678 1.00 0.00 O ATOM 124 CB ALA A 7 -2.217 11.278 9.542 1.00 0.00 C ATOM 0 H ALA A 7 -0.524 9.575 8.951 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.274 9.854 8.341 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -3.034 11.999 9.563 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -2.265 10.649 10.431 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.265 11.809 9.525 1.00 0.00 H new ATOM 130 N ASP A 8 -1.221 11.436 6.378 1.00 0.00 N ATOM 131 CA ASP A 8 -1.132 12.241 5.154 1.00 0.00 C ATOM 132 C ASP A 8 -2.248 11.864 4.177 1.00 0.00 C ATOM 133 O ASP A 8 -2.834 12.728 3.523 1.00 0.00 O ATOM 134 CB ASP A 8 0.232 12.042 4.478 1.00 0.00 C ATOM 135 CG ASP A 8 1.394 12.498 5.345 1.00 0.00 C ATOM 136 OD1 ASP A 8 1.594 11.910 6.429 1.00 0.00 O ATOM 137 OD2 ASP A 8 2.106 13.436 4.934 1.00 0.00 O ATOM 0 H ASP A 8 -0.339 11.014 6.668 1.00 0.00 H new ATOM 0 HA ASP A 8 -1.244 13.289 5.431 1.00 0.00 H new ATOM 0 HB2 ASP A 8 0.360 10.988 4.233 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.249 12.592 3.537 1.00 0.00 H new ATOM 142 N LEU A 9 -2.532 10.564 4.095 1.00 0.00 N ATOM 143 CA LEU A 9 -3.575 10.038 3.213 1.00 0.00 C ATOM 144 C LEU A 9 -4.858 9.723 3.992 1.00 0.00 C ATOM 145 O LEU A 9 -5.962 9.888 3.471 1.00 0.00 O ATOM 146 CB LEU A 9 -3.061 8.780 2.509 1.00 0.00 C ATOM 147 CG LEU A 9 -1.861 9.004 1.584 1.00 0.00 C ATOM 148 CD1 LEU A 9 -0.626 8.288 2.116 1.00 0.00 C ATOM 149 CD2 LEU A 9 -2.190 8.543 0.171 1.00 0.00 C ATOM 0 H LEU A 9 -2.048 9.848 4.636 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.817 10.799 2.471 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.786 8.045 3.265 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.875 8.349 1.926 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.642 10.071 1.555 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.213 8.461 1.443 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.382 8.671 3.107 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.825 7.218 2.180 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.328 8.708 -0.476 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.437 7.481 0.183 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.041 9.109 -0.207 1.00 0.00 H new ATOM 161 N ALA A 10 -4.714 9.276 5.243 1.00 0.00 N ATOM 162 CA ALA A 10 -5.874 8.950 6.075 1.00 0.00 C ATOM 163 C ALA A 10 -6.652 10.204 6.496 1.00 0.00 C ATOM 164 O ALA A 10 -7.767 10.100 7.006 1.00 0.00 O ATOM 165 CB ALA A 10 -5.449 8.155 7.303 1.00 0.00 C ATOM 0 H ALA A 10 -3.813 9.133 5.698 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.541 8.337 5.469 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.326 7.923 7.908 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.970 7.228 6.988 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -4.747 8.744 7.893 1.00 0.00 H new ATOM 171 N GLU A 11 -6.069 11.386 6.284 1.00 0.00 N ATOM 172 CA GLU A 11 -6.733 12.636 6.648 1.00 0.00 C ATOM 173 C GLU A 11 -7.911 12.932 5.719 1.00 0.00 C ATOM 174 O GLU A 11 -8.918 13.495 6.149 1.00 0.00 O ATOM 175 CB GLU A 11 -5.739 13.803 6.617 1.00 0.00 C ATOM 176 CG GLU A 11 -5.710 14.609 7.905 1.00 0.00 C ATOM 177 CD GLU A 11 -5.034 13.870 9.043 1.00 0.00 C ATOM 178 OE1 GLU A 11 -5.605 12.869 9.526 1.00 0.00 O ATOM 179 OE2 GLU A 11 -3.931 14.287 9.448 1.00 0.00 O ATOM 0 H GLU A 11 -5.146 11.502 5.866 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.117 12.521 7.662 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.740 13.414 6.419 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.994 14.465 5.789 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.189 15.550 7.728 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.730 14.859 8.195 1.00 0.00 H new ATOM 186 N VAL A 12 -7.779 12.558 4.446 1.00 0.00 N ATOM 187 CA VAL A 12 -8.839 12.797 3.465 1.00 0.00 C ATOM 188 C VAL A 12 -9.707 11.558 3.241 1.00 0.00 C ATOM 189 O VAL A 12 -10.922 11.671 3.066 1.00 0.00 O ATOM 190 CB VAL A 12 -8.267 13.281 2.119 1.00 0.00 C ATOM 191 CG1 VAL A 12 -9.373 13.861 1.247 1.00 0.00 C ATOM 192 CG2 VAL A 12 -7.167 14.310 2.347 1.00 0.00 C ATOM 0 H VAL A 12 -6.953 12.091 4.071 1.00 0.00 H new ATOM 0 HA VAL A 12 -9.468 13.583 3.882 1.00 0.00 H new ATOM 0 HB VAL A 12 -7.834 12.426 1.599 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.951 14.198 0.300 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -10.126 13.096 1.057 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.835 14.705 1.759 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.774 14.641 1.386 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.575 15.165 2.887 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.364 13.861 2.932 1.00 0.00 H new ATOM 202 N ALA A 13 -9.087 10.378 3.242 1.00 0.00 N ATOM 203 CA ALA A 13 -9.821 9.130 3.032 1.00 0.00 C ATOM 204 C ALA A 13 -10.352 8.568 4.346 1.00 0.00 C ATOM 205 O ALA A 13 -11.507 8.149 4.427 1.00 0.00 O ATOM 206 CB ALA A 13 -8.936 8.101 2.339 1.00 0.00 C ATOM 0 H ALA A 13 -8.084 10.260 3.385 1.00 0.00 H new ATOM 0 HA ALA A 13 -10.675 9.352 2.392 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.498 7.179 2.191 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -8.614 8.489 1.373 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -8.062 7.898 2.957 1.00 0.00 H new ATOM 212 N GLY A 14 -9.497 8.549 5.367 1.00 0.00 N ATOM 213 CA GLY A 14 -9.889 8.022 6.663 1.00 0.00 C ATOM 214 C GLY A 14 -9.389 6.606 6.891 1.00 0.00 C ATOM 215 O GLY A 14 -9.204 6.184 8.033 1.00 0.00 O ATOM 0 H GLY A 14 -8.537 8.890 5.318 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -9.501 8.671 7.448 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -10.976 8.038 6.744 1.00 0.00 H new ATOM 219 N SER A 15 -9.165 5.871 5.798 1.00 0.00 N ATOM 220 CA SER A 15 -8.681 4.496 5.881 1.00 0.00 C ATOM 221 C SER A 15 -7.213 4.413 5.477 1.00 0.00 C ATOM 222 O SER A 15 -6.866 4.613 4.312 1.00 0.00 O ATOM 223 CB SER A 15 -9.519 3.578 4.987 1.00 0.00 C ATOM 224 OG SER A 15 -9.423 2.230 5.410 1.00 0.00 O ATOM 0 H SER A 15 -9.312 6.208 4.847 1.00 0.00 H new ATOM 0 HA SER A 15 -8.777 4.167 6.916 1.00 0.00 H new ATOM 0 HB2 SER A 15 -10.561 3.896 5.009 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.181 3.663 3.954 1.00 0.00 H new ATOM 0 HG SER A 15 -9.968 1.664 4.825 1.00 0.00 H new ATOM 230 N ARG A 16 -6.356 4.117 6.450 1.00 0.00 N ATOM 231 CA ARG A 16 -4.928 4.003 6.207 1.00 0.00 C ATOM 232 C ARG A 16 -4.506 2.535 6.143 1.00 0.00 C ATOM 233 O ARG A 16 -3.758 2.138 5.249 1.00 0.00 O ATOM 234 CB ARG A 16 -4.133 4.731 7.299 1.00 0.00 C ATOM 235 CG ARG A 16 -4.762 4.676 8.684 1.00 0.00 C ATOM 236 CD ARG A 16 -3.701 4.699 9.774 1.00 0.00 C ATOM 237 NE ARG A 16 -4.276 4.950 11.092 1.00 0.00 N ATOM 238 CZ ARG A 16 -4.611 6.162 11.543 1.00 0.00 C ATOM 239 NH1 ARG A 16 -4.424 7.241 10.784 1.00 0.00 N ATOM 240 NH2 ARG A 16 -5.132 6.296 12.758 1.00 0.00 N ATOM 0 H ARG A 16 -6.631 3.952 7.418 1.00 0.00 H new ATOM 0 HA ARG A 16 -4.712 4.470 5.246 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.133 4.300 7.351 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.015 5.775 7.009 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -5.437 5.522 8.813 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.363 3.771 8.777 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.172 3.746 9.785 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.965 5.470 9.547 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.432 4.151 11.706 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -4.022 7.145 9.851 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -4.682 8.163 11.136 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.276 5.474 13.345 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.388 7.221 13.104 1.00 0.00 H new ATOM 254 N THR A 17 -4.986 1.736 7.097 1.00 0.00 N ATOM 255 CA THR A 17 -4.648 0.316 7.148 1.00 0.00 C ATOM 256 C THR A 17 -5.767 -0.547 6.559 1.00 0.00 C ATOM 257 O THR A 17 -6.951 -0.277 6.771 1.00 0.00 O ATOM 258 CB THR A 17 -4.346 -0.114 8.590 1.00 0.00 C ATOM 259 OG1 THR A 17 -5.540 -0.357 9.313 1.00 0.00 O ATOM 260 CG2 THR A 17 -3.543 0.907 9.369 1.00 0.00 C ATOM 0 H THR A 17 -5.608 2.048 7.842 1.00 0.00 H new ATOM 0 HA THR A 17 -3.755 0.166 6.541 1.00 0.00 H new ATOM 0 HB THR A 17 -3.754 -1.024 8.491 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.319 -0.631 10.228 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.366 0.537 10.379 1.00 0.00 H new ATOM 0 HG22 THR A 17 -2.588 1.075 8.872 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.096 1.845 9.418 1.00 0.00 H new ATOM 268 N VAL A 18 -5.376 -1.589 5.821 1.00 0.00 N ATOM 269 CA VAL A 18 -6.335 -2.502 5.200 1.00 0.00 C ATOM 270 C VAL A 18 -5.806 -3.938 5.207 1.00 0.00 C ATOM 271 O VAL A 18 -4.679 -4.195 4.781 1.00 0.00 O ATOM 272 CB VAL A 18 -6.646 -2.099 3.739 1.00 0.00 C ATOM 273 CG1 VAL A 18 -7.908 -2.796 3.246 1.00 0.00 C ATOM 274 CG2 VAL A 18 -6.779 -0.589 3.603 1.00 0.00 C ATOM 0 H VAL A 18 -4.399 -1.821 5.639 1.00 0.00 H new ATOM 0 HA VAL A 18 -7.250 -2.441 5.789 1.00 0.00 H new ATOM 0 HB VAL A 18 -5.810 -2.420 3.117 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -8.109 -2.499 2.217 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -7.769 -3.876 3.291 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -8.750 -2.512 3.877 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -6.997 -0.335 2.566 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -7.589 -0.236 4.241 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.846 -0.113 3.904 1.00 0.00 H new ATOM 284 N ARG A 19 -6.630 -4.874 5.681 1.00 0.00 N ATOM 285 CA ARG A 19 -6.246 -6.288 5.730 1.00 0.00 C ATOM 286 C ARG A 19 -7.056 -7.099 4.717 1.00 0.00 C ATOM 287 O ARG A 19 -8.268 -6.914 4.593 1.00 0.00 O ATOM 288 CB ARG A 19 -6.447 -6.856 7.140 1.00 0.00 C ATOM 289 CG ARG A 19 -5.804 -6.020 8.238 1.00 0.00 C ATOM 290 CD ARG A 19 -4.793 -6.828 9.039 1.00 0.00 C ATOM 291 NE ARG A 19 -4.054 -5.997 9.993 1.00 0.00 N ATOM 292 CZ ARG A 19 -4.583 -5.493 11.113 1.00 0.00 C ATOM 293 NH1 ARG A 19 -5.852 -5.743 11.433 1.00 0.00 N ATOM 294 NH2 ARG A 19 -3.839 -4.741 11.917 1.00 0.00 N ATOM 0 H ARG A 19 -7.566 -4.680 6.036 1.00 0.00 H new ATOM 0 HA ARG A 19 -5.189 -6.361 5.473 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.515 -6.940 7.339 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -6.036 -7.865 7.177 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -5.310 -5.155 7.795 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -6.577 -5.639 8.906 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.309 -7.624 9.576 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -4.091 -7.308 8.357 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.076 -5.790 9.790 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.427 -6.323 10.822 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -6.248 -5.355 12.289 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.866 -4.549 11.680 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.241 -4.356 12.772 1.00 0.00 H new ATOM 308 N VAL A 20 -6.379 -7.990 3.992 1.00 0.00 N ATOM 309 CA VAL A 20 -7.037 -8.819 2.982 1.00 0.00 C ATOM 310 C VAL A 20 -6.901 -10.309 3.299 1.00 0.00 C ATOM 311 O VAL A 20 -5.832 -10.776 3.691 1.00 0.00 O ATOM 312 CB VAL A 20 -6.459 -8.557 1.574 1.00 0.00 C ATOM 313 CG1 VAL A 20 -7.285 -9.268 0.510 1.00 0.00 C ATOM 314 CG2 VAL A 20 -6.385 -7.063 1.288 1.00 0.00 C ATOM 0 H VAL A 20 -5.377 -8.156 4.085 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.092 -8.544 2.998 1.00 0.00 H new ATOM 0 HB VAL A 20 -5.446 -8.959 1.544 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.860 -9.069 -0.474 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.276 -10.341 0.699 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.311 -8.903 0.542 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.975 -6.903 0.291 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.385 -6.632 1.342 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.742 -6.583 2.026 1.00 0.00 H new ATOM 324 N ASP A 21 -7.997 -11.048 3.118 1.00 0.00 N ATOM 325 CA ASP A 21 -8.012 -12.488 3.375 1.00 0.00 C ATOM 326 C ASP A 21 -8.165 -13.292 2.076 1.00 0.00 C ATOM 327 O ASP A 21 -7.821 -14.474 2.028 1.00 0.00 O ATOM 328 CB ASP A 21 -9.146 -12.838 4.341 1.00 0.00 C ATOM 329 CG ASP A 21 -8.677 -12.928 5.782 1.00 0.00 C ATOM 330 OD1 ASP A 21 -7.825 -12.106 6.186 1.00 0.00 O ATOM 331 OD2 ASP A 21 -9.164 -13.819 6.508 1.00 0.00 O ATOM 0 H ASP A 21 -8.888 -10.671 2.794 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.056 -12.755 3.825 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.930 -12.084 4.264 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.589 -13.790 4.047 1.00 0.00 H new ATOM 336 N VAL A 22 -8.687 -12.647 1.028 1.00 0.00 N ATOM 337 CA VAL A 22 -8.891 -13.305 -0.261 1.00 0.00 C ATOM 338 C VAL A 22 -7.644 -13.210 -1.147 1.00 0.00 C ATOM 339 O VAL A 22 -6.858 -12.267 -1.034 1.00 0.00 O ATOM 340 CB VAL A 22 -10.099 -12.695 -1.007 1.00 0.00 C ATOM 341 CG1 VAL A 22 -9.840 -11.232 -1.349 1.00 0.00 C ATOM 342 CG2 VAL A 22 -10.426 -13.498 -2.260 1.00 0.00 C ATOM 0 H VAL A 22 -8.975 -11.669 1.050 1.00 0.00 H new ATOM 0 HA VAL A 22 -9.090 -14.356 -0.054 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.964 -12.739 -0.345 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -10.703 -10.823 -1.874 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.672 -10.668 -0.431 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -8.959 -11.158 -1.987 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -11.280 -13.049 -2.768 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -9.565 -13.497 -2.928 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -10.668 -14.524 -1.982 1.00 0.00 H new ATOM 352 N ASP A 23 -7.477 -14.194 -2.036 1.00 0.00 N ATOM 353 CA ASP A 23 -6.333 -14.223 -2.949 1.00 0.00 C ATOM 354 C ASP A 23 -6.776 -13.995 -4.396 1.00 0.00 C ATOM 355 O ASP A 23 -7.915 -14.297 -4.762 1.00 0.00 O ATOM 356 CB ASP A 23 -5.591 -15.559 -2.838 1.00 0.00 C ATOM 357 CG ASP A 23 -4.112 -15.378 -2.547 1.00 0.00 C ATOM 358 OD1 ASP A 23 -3.742 -15.326 -1.355 1.00 0.00 O ATOM 359 OD2 ASP A 23 -3.324 -15.282 -3.512 1.00 0.00 O ATOM 0 H ASP A 23 -8.119 -14.979 -2.142 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.659 -13.415 -2.663 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.043 -16.158 -2.048 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.710 -16.116 -3.767 1.00 0.00 H new ATOM 364 N GLY A 24 -5.863 -13.465 -5.215 1.00 0.00 N ATOM 365 CA GLY A 24 -6.171 -13.206 -6.616 1.00 0.00 C ATOM 366 C GLY A 24 -4.934 -12.888 -7.442 1.00 0.00 C ATOM 367 O GLY A 24 -3.827 -13.296 -7.091 1.00 0.00 O ATOM 0 H GLY A 24 -4.916 -13.211 -4.932 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.672 -14.076 -7.040 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.870 -12.372 -6.682 1.00 0.00 H new ATOM 371 N ASP A 25 -5.123 -12.160 -8.546 1.00 0.00 N ATOM 372 CA ASP A 25 -4.012 -11.792 -9.427 1.00 0.00 C ATOM 373 C ASP A 25 -3.636 -10.317 -9.269 1.00 0.00 C ATOM 374 O ASP A 25 -3.167 -9.680 -10.218 1.00 0.00 O ATOM 375 CB ASP A 25 -4.373 -12.092 -10.886 1.00 0.00 C ATOM 376 CG ASP A 25 -3.609 -13.279 -11.438 1.00 0.00 C ATOM 377 OD1 ASP A 25 -2.361 -13.256 -11.395 1.00 0.00 O ATOM 378 OD2 ASP A 25 -4.260 -14.234 -11.914 1.00 0.00 O ATOM 0 H ASP A 25 -6.033 -11.815 -8.850 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.147 -12.390 -9.141 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -5.443 -12.286 -10.960 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.165 -11.214 -11.497 1.00 0.00 H new ATOM 383 N ALA A 26 -3.836 -9.776 -8.068 1.00 0.00 N ATOM 384 CA ALA A 26 -3.510 -8.380 -7.793 1.00 0.00 C ATOM 385 C ALA A 26 -2.028 -8.218 -7.461 1.00 0.00 C ATOM 386 O ALA A 26 -1.518 -8.861 -6.542 1.00 0.00 O ATOM 387 CB ALA A 26 -4.376 -7.855 -6.654 1.00 0.00 C ATOM 0 H ALA A 26 -4.222 -10.284 -7.272 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.717 -7.796 -8.690 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.125 -6.813 -6.457 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.427 -7.929 -6.932 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.196 -8.448 -5.757 1.00 0.00 H new ATOM 393 N THR A 27 -1.339 -7.359 -8.217 1.00 0.00 N ATOM 394 CA THR A 27 0.089 -7.117 -8.002 1.00 0.00 C ATOM 395 C THR A 27 0.309 -6.217 -6.790 1.00 0.00 C ATOM 396 O THR A 27 -0.619 -5.558 -6.317 1.00 0.00 O ATOM 397 CB THR A 27 0.726 -6.488 -9.249 1.00 0.00 C ATOM 398 OG1 THR A 27 -0.262 -6.106 -10.188 1.00 0.00 O ATOM 399 CG2 THR A 27 1.695 -7.413 -9.958 1.00 0.00 C ATOM 0 H THR A 27 -1.746 -6.821 -8.982 1.00 0.00 H new ATOM 0 HA THR A 27 0.568 -8.078 -7.812 1.00 0.00 H new ATOM 0 HB THR A 27 1.274 -5.621 -8.880 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.655 -6.907 -10.594 1.00 0.00 H new ATOM 0 HG21 THR A 27 2.109 -6.907 -10.830 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.503 -7.684 -9.278 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.171 -8.314 -10.276 1.00 0.00 H new ATOM 407 N VAL A 28 1.547 -6.184 -6.295 1.00 0.00 N ATOM 408 CA VAL A 28 1.885 -5.357 -5.143 1.00 0.00 C ATOM 409 C VAL A 28 1.938 -3.886 -5.538 1.00 0.00 C ATOM 410 O VAL A 28 1.651 -3.008 -4.724 1.00 0.00 O ATOM 411 CB VAL A 28 3.237 -5.761 -4.518 1.00 0.00 C ATOM 412 CG1 VAL A 28 3.495 -4.968 -3.244 1.00 0.00 C ATOM 413 CG2 VAL A 28 3.276 -7.257 -4.236 1.00 0.00 C ATOM 0 H VAL A 28 2.328 -6.720 -6.674 1.00 0.00 H new ATOM 0 HA VAL A 28 1.103 -5.514 -4.400 1.00 0.00 H new ATOM 0 HB VAL A 28 4.026 -5.529 -5.233 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.453 -5.266 -2.817 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.517 -3.903 -3.476 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.700 -5.166 -2.525 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.238 -7.519 -3.796 1.00 0.00 H new ATOM 0 HG22 VAL A 28 2.476 -7.517 -3.542 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.141 -7.807 -5.168 1.00 0.00 H new ATOM 423 N GLY A 29 2.298 -3.626 -6.795 1.00 0.00 N ATOM 424 CA GLY A 29 2.369 -2.266 -7.273 1.00 0.00 C ATOM 425 C GLY A 29 1.034 -1.767 -7.803 1.00 0.00 C ATOM 426 O GLY A 29 0.745 -0.571 -7.737 1.00 0.00 O ATOM 0 H GLY A 29 2.540 -4.337 -7.485 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.701 -1.616 -6.463 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.118 -2.200 -8.062 1.00 0.00 H new ATOM 430 N ASP A 30 0.218 -2.691 -8.325 1.00 0.00 N ATOM 431 CA ASP A 30 -1.100 -2.350 -8.867 1.00 0.00 C ATOM 432 C ASP A 30 -1.958 -1.640 -7.820 1.00 0.00 C ATOM 433 O ASP A 30 -2.639 -0.662 -8.127 1.00 0.00 O ATOM 434 CB ASP A 30 -1.809 -3.617 -9.360 1.00 0.00 C ATOM 435 CG ASP A 30 -3.225 -3.353 -9.845 1.00 0.00 C ATOM 436 OD1 ASP A 30 -3.398 -2.504 -10.746 1.00 0.00 O ATOM 437 OD2 ASP A 30 -4.158 -3.998 -9.323 1.00 0.00 O ATOM 0 H ASP A 30 0.450 -3.683 -8.383 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.958 -1.669 -9.706 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.230 -4.059 -10.170 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.838 -4.349 -8.552 1.00 0.00 H new ATOM 442 N ALA A 31 -1.909 -2.130 -6.580 1.00 0.00 N ATOM 443 CA ALA A 31 -2.666 -1.534 -5.487 1.00 0.00 C ATOM 444 C ALA A 31 -1.896 -0.364 -4.884 1.00 0.00 C ATOM 445 O ALA A 31 -2.491 0.612 -4.429 1.00 0.00 O ATOM 446 CB ALA A 31 -2.980 -2.577 -4.421 1.00 0.00 C ATOM 0 H ALA A 31 -1.350 -2.940 -6.311 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.609 -1.158 -5.884 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.546 -2.113 -3.613 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.570 -3.381 -4.861 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.050 -2.984 -4.025 1.00 0.00 H new ATOM 452 N LEU A 32 -0.567 -0.460 -4.897 1.00 0.00 N ATOM 453 CA LEU A 32 0.288 0.594 -4.367 1.00 0.00 C ATOM 454 C LEU A 32 -0.013 1.919 -5.059 1.00 0.00 C ATOM 455 O LEU A 32 -0.431 2.881 -4.417 1.00 0.00 O ATOM 456 CB LEU A 32 1.763 0.226 -4.552 1.00 0.00 C ATOM 457 CG LEU A 32 2.698 0.695 -3.436 1.00 0.00 C ATOM 458 CD1 LEU A 32 4.054 0.009 -3.555 1.00 0.00 C ATOM 459 CD2 LEU A 32 2.856 2.209 -3.469 1.00 0.00 C ATOM 0 H LEU A 32 -0.060 -1.262 -5.271 1.00 0.00 H new ATOM 0 HA LEU A 32 0.085 0.702 -3.302 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.842 -0.858 -4.638 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.110 0.647 -5.495 1.00 0.00 H new ATOM 0 HG LEU A 32 2.257 0.420 -2.478 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.708 0.354 -2.754 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.924 -1.070 -3.478 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.502 0.253 -4.518 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.525 2.523 -2.667 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.274 2.510 -4.429 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.882 2.679 -3.334 1.00 0.00 H new ATOM 471 N ASP A 33 0.188 1.957 -6.377 1.00 0.00 N ATOM 472 CA ASP A 33 -0.077 3.166 -7.155 1.00 0.00 C ATOM 473 C ASP A 33 -1.561 3.516 -7.105 1.00 0.00 C ATOM 474 O ASP A 33 -1.925 4.691 -7.041 1.00 0.00 O ATOM 475 CB ASP A 33 0.369 2.983 -8.606 1.00 0.00 C ATOM 476 CG ASP A 33 -0.012 4.159 -9.488 1.00 0.00 C ATOM 477 OD1 ASP A 33 0.627 5.224 -9.368 1.00 0.00 O ATOM 478 OD2 ASP A 33 -0.954 4.013 -10.296 1.00 0.00 O ATOM 0 H ASP A 33 0.532 1.168 -6.925 1.00 0.00 H new ATOM 0 HA ASP A 33 0.494 3.985 -6.717 1.00 0.00 H new ATOM 0 HB2 ASP A 33 1.450 2.847 -8.635 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.078 2.073 -9.007 1.00 0.00 H new ATOM 483 N ALA A 34 -2.412 2.488 -7.133 1.00 0.00 N ATOM 484 CA ALA A 34 -3.857 2.687 -7.086 1.00 0.00 C ATOM 485 C ALA A 34 -4.258 3.410 -5.805 1.00 0.00 C ATOM 486 O ALA A 34 -4.921 4.443 -5.849 1.00 0.00 O ATOM 487 CB ALA A 34 -4.588 1.356 -7.199 1.00 0.00 C ATOM 0 H ALA A 34 -2.123 1.511 -7.188 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.143 3.308 -7.935 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -5.664 1.527 -7.162 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.329 0.878 -8.144 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.295 0.709 -6.372 1.00 0.00 H new ATOM 493 N LEU A 35 -3.838 2.872 -4.661 1.00 0.00 N ATOM 494 CA LEU A 35 -4.148 3.486 -3.371 1.00 0.00 C ATOM 495 C LEU A 35 -3.479 4.859 -3.241 1.00 0.00 C ATOM 496 O LEU A 35 -3.902 5.682 -2.432 1.00 0.00 O ATOM 497 CB LEU A 35 -3.713 2.573 -2.217 1.00 0.00 C ATOM 498 CG LEU A 35 -4.364 1.182 -2.184 1.00 0.00 C ATOM 499 CD1 LEU A 35 -4.231 0.565 -0.800 1.00 0.00 C ATOM 500 CD2 LEU A 35 -5.828 1.256 -2.599 1.00 0.00 C ATOM 0 H LEU A 35 -3.285 2.017 -4.601 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.228 3.624 -3.318 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.632 2.446 -2.267 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.932 3.078 -1.276 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.842 0.546 -2.899 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.698 -0.420 -0.794 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.176 0.468 -0.545 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.724 1.204 -0.068 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.266 0.258 -2.567 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -6.367 1.911 -1.915 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.899 1.652 -3.612 1.00 0.00 H new ATOM 512 N VAL A 36 -2.435 5.104 -4.039 1.00 0.00 N ATOM 513 CA VAL A 36 -1.725 6.383 -3.998 1.00 0.00 C ATOM 514 C VAL A 36 -2.379 7.431 -4.904 1.00 0.00 C ATOM 515 O VAL A 36 -2.591 8.572 -4.487 1.00 0.00 O ATOM 516 CB VAL A 36 -0.246 6.224 -4.411 1.00 0.00 C ATOM 517 CG1 VAL A 36 0.415 7.585 -4.581 1.00 0.00 C ATOM 518 CG2 VAL A 36 0.505 5.380 -3.393 1.00 0.00 C ATOM 0 H VAL A 36 -2.066 4.437 -4.717 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.779 6.724 -2.964 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.211 5.710 -5.371 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.457 7.450 -4.872 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.107 8.149 -5.354 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.370 8.132 -3.639 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.546 5.279 -3.701 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.461 5.863 -2.417 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.048 4.393 -3.331 1.00 0.00 H new ATOM 528 N GLY A 37 -2.669 7.052 -6.148 1.00 0.00 N ATOM 529 CA GLY A 37 -3.263 7.990 -7.095 1.00 0.00 C ATOM 530 C GLY A 37 -4.689 7.647 -7.484 1.00 0.00 C ATOM 531 O GLY A 37 -5.530 8.535 -7.625 1.00 0.00 O ATOM 0 H GLY A 37 -2.505 6.116 -6.518 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.245 8.990 -6.661 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.648 8.022 -7.995 1.00 0.00 H new ATOM 535 N ALA A 38 -4.957 6.356 -7.663 1.00 0.00 N ATOM 536 CA ALA A 38 -6.289 5.880 -8.048 1.00 0.00 C ATOM 537 C ALA A 38 -7.308 5.970 -6.899 1.00 0.00 C ATOM 538 O ALA A 38 -8.475 5.620 -7.081 1.00 0.00 O ATOM 539 CB ALA A 38 -6.214 4.450 -8.575 1.00 0.00 C ATOM 0 H ALA A 38 -4.266 5.614 -7.547 1.00 0.00 H new ATOM 0 HA ALA A 38 -6.641 6.541 -8.840 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.212 4.113 -8.856 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.561 4.417 -9.447 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.816 3.797 -7.799 1.00 0.00 H new ATOM 545 N HIS A 39 -6.873 6.444 -5.726 1.00 0.00 N ATOM 546 CA HIS A 39 -7.758 6.574 -4.581 1.00 0.00 C ATOM 547 C HIS A 39 -7.811 8.029 -4.124 1.00 0.00 C ATOM 548 O HIS A 39 -7.316 8.372 -3.047 1.00 0.00 O ATOM 549 CB HIS A 39 -7.293 5.670 -3.437 1.00 0.00 C ATOM 550 CG HIS A 39 -8.408 4.920 -2.777 1.00 0.00 C ATOM 551 ND1 HIS A 39 -8.538 3.549 -2.845 1.00 0.00 N ATOM 552 CD2 HIS A 39 -9.448 5.357 -2.027 1.00 0.00 C ATOM 553 CE1 HIS A 39 -9.608 3.176 -2.167 1.00 0.00 C ATOM 554 NE2 HIS A 39 -10.178 4.255 -1.661 1.00 0.00 N ATOM 0 H HIS A 39 -5.913 6.742 -5.553 1.00 0.00 H new ATOM 0 HA HIS A 39 -8.760 6.262 -4.876 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -6.564 4.957 -3.822 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -6.782 6.277 -2.690 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -9.663 6.383 -1.766 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -9.958 2.161 -2.047 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -11.024 4.267 -1.091 1.00 0.00 H new ATOM 563 N PRO A 40 -8.419 8.907 -4.948 1.00 0.00 N ATOM 564 CA PRO A 40 -8.550 10.338 -4.641 1.00 0.00 C ATOM 565 C PRO A 40 -9.078 10.610 -3.232 1.00 0.00 C ATOM 566 O PRO A 40 -8.916 11.713 -2.712 1.00 0.00 O ATOM 567 CB PRO A 40 -9.559 10.816 -5.682 1.00 0.00 C ATOM 568 CG PRO A 40 -9.340 9.920 -6.843 1.00 0.00 C ATOM 569 CD PRO A 40 -9.035 8.573 -6.250 1.00 0.00 C ATOM 0 HA PRO A 40 -7.586 10.846 -4.673 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -10.581 10.742 -5.309 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -9.392 11.860 -5.948 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -10.223 9.879 -7.480 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -8.516 10.273 -7.463 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -9.937 7.974 -6.126 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -8.356 8.000 -6.881 1.00 0.00 H new ATOM 577 N ALA A 41 -9.711 9.605 -2.619 1.00 0.00 N ATOM 578 CA ALA A 41 -10.257 9.752 -1.275 1.00 0.00 C ATOM 579 C ALA A 41 -9.213 10.304 -0.297 1.00 0.00 C ATOM 580 O ALA A 41 -9.541 11.118 0.556 1.00 0.00 O ATOM 581 CB ALA A 41 -10.811 8.423 -0.781 1.00 0.00 C ATOM 0 H ALA A 41 -9.855 8.685 -3.035 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.071 10.475 -1.323 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.215 8.548 0.224 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.602 8.087 -1.451 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.013 7.681 -0.761 1.00 0.00 H new ATOM 587 N LEU A 42 -7.957 9.862 -0.430 1.00 0.00 N ATOM 588 CA LEU A 42 -6.878 10.329 0.449 1.00 0.00 C ATOM 589 C LEU A 42 -6.284 11.660 -0.040 1.00 0.00 C ATOM 590 O LEU A 42 -5.652 12.381 0.729 1.00 0.00 O ATOM 591 CB LEU A 42 -5.769 9.276 0.546 1.00 0.00 C ATOM 592 CG LEU A 42 -6.223 7.816 0.439 1.00 0.00 C ATOM 593 CD1 LEU A 42 -5.541 7.134 -0.737 1.00 0.00 C ATOM 594 CD2 LEU A 42 -5.933 7.063 1.731 1.00 0.00 C ATOM 0 H LEU A 42 -7.663 9.185 -1.134 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.312 10.490 1.436 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.041 9.469 -0.242 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.252 9.407 1.497 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.300 7.805 0.272 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.874 6.098 -0.800 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.799 7.654 -1.659 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.460 7.160 -0.596 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.264 6.029 1.632 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.862 7.084 1.932 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.466 7.537 2.556 1.00 0.00 H new ATOM 606 N GLU A 43 -6.503 11.971 -1.321 1.00 0.00 N ATOM 607 CA GLU A 43 -6.013 13.211 -1.933 1.00 0.00 C ATOM 608 C GLU A 43 -4.486 13.288 -1.979 1.00 0.00 C ATOM 609 O GLU A 43 -3.815 13.293 -0.945 1.00 0.00 O ATOM 610 CB GLU A 43 -6.576 14.432 -1.203 1.00 0.00 C ATOM 611 CG GLU A 43 -7.862 14.958 -1.818 1.00 0.00 C ATOM 612 CD GLU A 43 -7.617 15.827 -3.037 1.00 0.00 C ATOM 613 OE1 GLU A 43 -7.038 15.321 -4.027 1.00 0.00 O ATOM 614 OE2 GLU A 43 -8.005 17.013 -3.006 1.00 0.00 O ATOM 0 H GLU A 43 -7.024 11.372 -1.962 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.366 13.207 -2.964 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.760 14.171 -0.161 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.829 15.225 -1.206 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.496 14.117 -2.098 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.408 15.534 -1.071 1.00 0.00 H new ATOM 621 N SER A 44 -3.954 13.373 -3.196 1.00 0.00 N ATOM 622 CA SER A 44 -2.513 13.475 -3.412 1.00 0.00 C ATOM 623 C SER A 44 -2.080 14.939 -3.556 1.00 0.00 C ATOM 624 O SER A 44 -0.933 15.283 -3.266 1.00 0.00 O ATOM 625 CB SER A 44 -2.108 12.687 -4.662 1.00 0.00 C ATOM 626 OG SER A 44 -0.701 12.529 -4.738 1.00 0.00 O ATOM 0 H SER A 44 -4.505 13.373 -4.054 1.00 0.00 H new ATOM 0 HA SER A 44 -2.011 13.052 -2.542 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.586 11.707 -4.648 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.467 13.204 -5.552 1.00 0.00 H new ATOM 0 HG SER A 44 -0.472 12.021 -5.544 1.00 0.00 H new ATOM 632 N ARG A 45 -3.003 15.796 -4.012 1.00 0.00 N ATOM 633 CA ARG A 45 -2.715 17.217 -4.199 1.00 0.00 C ATOM 634 C ARG A 45 -3.875 18.082 -3.702 1.00 0.00 C ATOM 635 O ARG A 45 -4.924 17.563 -3.317 1.00 0.00 O ATOM 636 CB ARG A 45 -2.437 17.509 -5.679 1.00 0.00 C ATOM 637 CG ARG A 45 -3.621 17.245 -6.598 1.00 0.00 C ATOM 638 CD ARG A 45 -3.613 15.818 -7.127 1.00 0.00 C ATOM 639 NE ARG A 45 -4.721 15.029 -6.591 1.00 0.00 N ATOM 640 CZ ARG A 45 -5.007 13.786 -6.981 1.00 0.00 C ATOM 641 NH1 ARG A 45 -4.289 13.192 -7.932 1.00 0.00 N ATOM 642 NH2 ARG A 45 -6.023 13.137 -6.425 1.00 0.00 N ATOM 0 H ARG A 45 -3.955 15.526 -4.257 1.00 0.00 H new ATOM 0 HA ARG A 45 -1.830 17.464 -3.613 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.136 18.552 -5.782 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -1.594 16.900 -6.006 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -4.550 17.428 -6.057 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -3.596 17.944 -7.434 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -3.673 15.834 -8.215 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -2.668 15.340 -6.867 1.00 0.00 H new ATOM 0 HE ARG A 45 -5.311 15.455 -5.876 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -3.512 13.688 -8.369 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -4.516 12.241 -8.223 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -6.582 13.589 -5.702 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -6.244 12.186 -6.721 1.00 0.00 H new ATOM 656 N VAL A 46 -3.677 19.404 -3.710 1.00 0.00 N ATOM 657 CA VAL A 46 -4.711 20.337 -3.258 1.00 0.00 C ATOM 658 C VAL A 46 -4.807 21.563 -4.180 1.00 0.00 C ATOM 659 O VAL A 46 -5.009 22.688 -3.718 1.00 0.00 O ATOM 660 CB VAL A 46 -4.451 20.802 -1.805 1.00 0.00 C ATOM 661 CG1 VAL A 46 -5.700 21.447 -1.219 1.00 0.00 C ATOM 662 CG2 VAL A 46 -3.992 19.637 -0.934 1.00 0.00 C ATOM 0 H VAL A 46 -2.814 19.849 -4.023 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.658 19.799 -3.293 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.654 21.545 -1.825 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.498 21.768 -0.197 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.980 22.311 -1.822 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.516 20.725 -1.218 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.816 19.990 0.082 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.762 18.866 -0.922 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.069 19.222 -1.339 1.00 0.00 H new ATOM 672 N PHE A 47 -4.677 21.332 -5.490 1.00 0.00 N ATOM 673 CA PHE A 47 -4.761 22.412 -6.479 1.00 0.00 C ATOM 674 C PHE A 47 -4.694 21.856 -7.902 1.00 0.00 C ATOM 675 O PHE A 47 -3.627 21.832 -8.519 1.00 0.00 O ATOM 676 CB PHE A 47 -3.635 23.435 -6.272 1.00 0.00 C ATOM 677 CG PHE A 47 -3.954 24.806 -6.808 1.00 0.00 C ATOM 678 CD1 PHE A 47 -3.829 25.085 -8.162 1.00 0.00 C ATOM 679 CD2 PHE A 47 -4.370 25.818 -5.957 1.00 0.00 C ATOM 680 CE1 PHE A 47 -4.115 26.346 -8.654 1.00 0.00 C ATOM 681 CE2 PHE A 47 -4.658 27.079 -6.444 1.00 0.00 C ATOM 682 CZ PHE A 47 -4.529 27.343 -7.794 1.00 0.00 C ATOM 0 H PHE A 47 -4.513 20.408 -5.890 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.720 22.910 -6.339 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -3.419 23.513 -5.207 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -2.730 23.068 -6.755 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -3.505 24.309 -8.839 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -4.470 25.619 -4.900 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -4.014 26.550 -9.710 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -4.984 27.857 -5.770 1.00 0.00 H new ATOM 0 HZ PHE A 47 -4.752 28.328 -8.176 1.00 0.00 H new ATOM 692 N GLY A 48 -5.841 21.410 -8.417 1.00 0.00 N ATOM 693 CA GLY A 48 -5.893 20.859 -9.762 1.00 0.00 C ATOM 694 C GLY A 48 -4.993 19.648 -9.925 1.00 0.00 C ATOM 695 O GLY A 48 -5.372 18.534 -9.558 1.00 0.00 O ATOM 0 H GLY A 48 -6.735 21.421 -7.925 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.920 20.580 -9.998 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.599 21.626 -10.478 1.00 0.00 H new ATOM 699 N ASP A 49 -3.795 19.871 -10.465 1.00 0.00 N ATOM 700 CA ASP A 49 -2.827 18.797 -10.673 1.00 0.00 C ATOM 701 C ASP A 49 -1.405 19.348 -10.748 1.00 0.00 C ATOM 702 O ASP A 49 -1.172 20.415 -11.322 1.00 0.00 O ATOM 703 CB ASP A 49 -3.151 18.026 -11.954 1.00 0.00 C ATOM 704 CG ASP A 49 -4.030 16.815 -11.699 1.00 0.00 C ATOM 705 OD1 ASP A 49 -3.683 16.001 -10.817 1.00 0.00 O ATOM 706 OD2 ASP A 49 -5.068 16.685 -12.382 1.00 0.00 O ATOM 0 H ASP A 49 -3.472 20.790 -10.767 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.892 18.119 -9.822 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.651 18.692 -12.658 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.222 17.704 -12.425 1.00 0.00 H new ATOM 711 N ASP A 50 -0.458 18.612 -10.170 1.00 0.00 N ATOM 712 CA ASP A 50 0.947 19.020 -10.173 1.00 0.00 C ATOM 713 C ASP A 50 1.743 18.271 -11.245 1.00 0.00 C ATOM 714 O ASP A 50 2.733 18.789 -11.765 1.00 0.00 O ATOM 715 CB ASP A 50 1.575 18.772 -8.798 1.00 0.00 C ATOM 716 CG ASP A 50 0.797 19.422 -7.670 1.00 0.00 C ATOM 717 OD1 ASP A 50 0.986 20.635 -7.439 1.00 0.00 O ATOM 718 OD2 ASP A 50 0.002 18.719 -7.017 1.00 0.00 O ATOM 0 H ASP A 50 -0.638 17.729 -9.693 1.00 0.00 H new ATOM 0 HA ASP A 50 0.982 20.085 -10.401 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.636 17.698 -8.620 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.596 19.154 -8.796 1.00 0.00 H new ATOM 723 N GLY A 51 1.308 17.048 -11.565 1.00 0.00 N ATOM 724 CA GLY A 51 1.993 16.246 -12.565 1.00 0.00 C ATOM 725 C GLY A 51 2.332 14.859 -12.054 1.00 0.00 C ATOM 726 O GLY A 51 1.726 14.388 -11.089 1.00 0.00 O ATOM 0 H GLY A 51 0.492 16.601 -11.147 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.365 16.161 -13.452 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.909 16.753 -12.870 1.00 0.00 H new ATOM 730 N GLU A 52 3.299 14.202 -12.696 1.00 0.00 N ATOM 731 CA GLU A 52 3.710 12.859 -12.291 1.00 0.00 C ATOM 732 C GLU A 52 5.102 12.515 -12.824 1.00 0.00 C ATOM 733 O GLU A 52 5.471 12.918 -13.927 1.00 0.00 O ATOM 734 CB GLU A 52 2.696 11.820 -12.784 1.00 0.00 C ATOM 735 CG GLU A 52 1.616 11.487 -11.763 1.00 0.00 C ATOM 736 CD GLU A 52 1.305 10.002 -11.702 1.00 0.00 C ATOM 737 OE1 GLU A 52 1.021 9.409 -12.764 1.00 0.00 O ATOM 738 OE2 GLU A 52 1.345 9.432 -10.592 1.00 0.00 O ATOM 0 H GLU A 52 3.810 14.577 -13.495 1.00 0.00 H new ATOM 0 HA GLU A 52 3.747 12.840 -11.202 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.222 12.190 -13.693 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.226 10.906 -13.050 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.935 11.828 -10.778 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.707 12.035 -12.010 1.00 0.00 H new ATOM 745 N LEU A 53 5.863 11.759 -12.031 1.00 0.00 N ATOM 746 CA LEU A 53 7.214 11.346 -12.419 1.00 0.00 C ATOM 747 C LEU A 53 7.790 10.338 -11.420 1.00 0.00 C ATOM 748 O LEU A 53 8.298 9.288 -11.815 1.00 0.00 O ATOM 749 CB LEU A 53 8.146 12.561 -12.529 1.00 0.00 C ATOM 750 CG LEU A 53 8.917 12.676 -13.849 1.00 0.00 C ATOM 751 CD1 LEU A 53 9.665 13.998 -13.917 1.00 0.00 C ATOM 752 CD2 LEU A 53 9.881 11.508 -14.014 1.00 0.00 C ATOM 0 H LEU A 53 5.567 11.420 -11.116 1.00 0.00 H new ATOM 0 HA LEU A 53 7.144 10.867 -13.395 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.554 13.466 -12.393 1.00 0.00 H new ATOM 0 HB3 LEU A 53 8.864 12.523 -11.710 1.00 0.00 H new ATOM 0 HG LEU A 53 8.198 12.644 -14.668 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.206 14.062 -14.861 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.955 14.822 -13.850 1.00 0.00 H new ATOM 0 HD13 LEU A 53 10.371 14.060 -13.089 1.00 0.00 H new ATOM 0 HD21 LEU A 53 10.418 11.610 -14.957 1.00 0.00 H new ATOM 0 HD22 LEU A 53 10.594 11.505 -13.189 1.00 0.00 H new ATOM 0 HD23 LEU A 53 9.322 10.572 -14.014 1.00 0.00 H new ATOM 764 N TYR A 54 7.706 10.666 -10.128 1.00 0.00 N ATOM 765 CA TYR A 54 8.218 9.791 -9.073 1.00 0.00 C ATOM 766 C TYR A 54 7.356 9.890 -7.812 1.00 0.00 C ATOM 767 O TYR A 54 6.899 10.975 -7.447 1.00 0.00 O ATOM 768 CB TYR A 54 9.670 10.148 -8.744 1.00 0.00 C ATOM 769 CG TYR A 54 10.682 9.454 -9.628 1.00 0.00 C ATOM 770 CD1 TYR A 54 10.898 8.084 -9.528 1.00 0.00 C ATOM 771 CD2 TYR A 54 11.421 10.168 -10.562 1.00 0.00 C ATOM 772 CE1 TYR A 54 11.823 7.448 -10.335 1.00 0.00 C ATOM 773 CE2 TYR A 54 12.347 9.539 -11.370 1.00 0.00 C ATOM 774 CZ TYR A 54 12.544 8.179 -11.254 1.00 0.00 C ATOM 775 OH TYR A 54 13.467 7.549 -12.058 1.00 0.00 O ATOM 0 H TYR A 54 7.288 11.532 -9.788 1.00 0.00 H new ATOM 0 HA TYR A 54 8.178 8.764 -9.437 1.00 0.00 H new ATOM 0 HB2 TYR A 54 9.799 11.226 -8.836 1.00 0.00 H new ATOM 0 HB3 TYR A 54 9.872 9.890 -7.704 1.00 0.00 H new ATOM 0 HD1 TYR A 54 10.335 7.508 -8.809 1.00 0.00 H new ATOM 0 HD2 TYR A 54 11.269 11.233 -10.658 1.00 0.00 H new ATOM 0 HE1 TYR A 54 11.980 6.383 -10.246 1.00 0.00 H new ATOM 0 HE2 TYR A 54 12.915 10.110 -12.090 1.00 0.00 H new ATOM 0 HH TYR A 54 13.888 8.207 -12.651 1.00 0.00 H new ATOM 785 N ASP A 55 7.140 8.749 -7.152 1.00 0.00 N ATOM 786 CA ASP A 55 6.331 8.703 -5.933 1.00 0.00 C ATOM 787 C ASP A 55 7.208 8.517 -4.697 1.00 0.00 C ATOM 788 O ASP A 55 7.916 7.514 -4.572 1.00 0.00 O ATOM 789 CB ASP A 55 5.310 7.564 -6.012 1.00 0.00 C ATOM 790 CG ASP A 55 4.178 7.855 -6.980 1.00 0.00 C ATOM 791 OD1 ASP A 55 3.578 8.947 -6.886 1.00 0.00 O ATOM 792 OD2 ASP A 55 3.889 6.987 -7.830 1.00 0.00 O ATOM 0 H ASP A 55 7.514 7.846 -7.442 1.00 0.00 H new ATOM 0 HA ASP A 55 5.806 9.654 -5.848 1.00 0.00 H new ATOM 0 HB2 ASP A 55 5.817 6.649 -6.317 1.00 0.00 H new ATOM 0 HB3 ASP A 55 4.896 7.384 -5.020 1.00 0.00 H new ATOM 797 N HIS A 56 7.152 9.486 -3.784 1.00 0.00 N ATOM 798 CA HIS A 56 7.939 9.426 -2.554 1.00 0.00 C ATOM 799 C HIS A 56 7.128 8.812 -1.410 1.00 0.00 C ATOM 800 O HIS A 56 6.344 9.498 -0.751 1.00 0.00 O ATOM 801 CB HIS A 56 8.450 10.825 -2.158 1.00 0.00 C ATOM 802 CG HIS A 56 7.436 11.929 -2.299 1.00 0.00 C ATOM 803 ND1 HIS A 56 6.087 11.757 -2.064 1.00 0.00 N ATOM 804 CD2 HIS A 56 7.591 13.227 -2.649 1.00 0.00 C ATOM 805 CE1 HIS A 56 5.457 12.901 -2.266 1.00 0.00 C ATOM 806 NE2 HIS A 56 6.346 13.809 -2.621 1.00 0.00 N ATOM 0 H HIS A 56 6.571 10.320 -3.873 1.00 0.00 H new ATOM 0 HA HIS A 56 8.800 8.786 -2.744 1.00 0.00 H new ATOM 0 HB2 HIS A 56 8.790 10.793 -1.123 1.00 0.00 H new ATOM 0 HB3 HIS A 56 9.318 11.067 -2.772 1.00 0.00 H new ATOM 0 HD1 HIS A 56 5.645 10.883 -1.779 1.00 0.00 H new ATOM 0 HD2 HIS A 56 8.520 13.715 -2.903 1.00 0.00 H new ATOM 0 HE1 HIS A 56 4.395 13.065 -2.159 1.00 0.00 H new ATOM 815 N ILE A 57 7.325 7.512 -1.180 1.00 0.00 N ATOM 816 CA ILE A 57 6.621 6.794 -0.116 1.00 0.00 C ATOM 817 C ILE A 57 7.312 5.473 0.201 1.00 0.00 C ATOM 818 O ILE A 57 7.536 4.650 -0.689 1.00 0.00 O ATOM 819 CB ILE A 57 5.144 6.499 -0.479 1.00 0.00 C ATOM 820 CG1 ILE A 57 5.018 6.078 -1.947 1.00 0.00 C ATOM 821 CG2 ILE A 57 4.262 7.705 -0.185 1.00 0.00 C ATOM 822 CD1 ILE A 57 4.127 4.872 -2.150 1.00 0.00 C ATOM 0 H ILE A 57 7.969 6.933 -1.719 1.00 0.00 H new ATOM 0 HA ILE A 57 6.643 7.449 0.755 1.00 0.00 H new ATOM 0 HB ILE A 57 4.802 5.671 0.142 1.00 0.00 H new ATOM 0 HG12 ILE A 57 4.623 6.914 -2.525 1.00 0.00 H new ATOM 0 HG13 ILE A 57 6.010 5.858 -2.341 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.230 7.474 -0.448 1.00 0.00 H new ATOM 0 HG22 ILE A 57 4.320 7.948 0.876 1.00 0.00 H new ATOM 0 HG23 ILE A 57 4.604 8.557 -0.772 1.00 0.00 H new ATOM 0 HD11 ILE A 57 4.082 4.628 -3.211 1.00 0.00 H new ATOM 0 HD12 ILE A 57 4.532 4.023 -1.599 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.124 5.095 -1.786 1.00 0.00 H new ATOM 834 N ASN A 58 7.638 5.270 1.475 1.00 0.00 N ATOM 835 CA ASN A 58 8.294 4.041 1.911 1.00 0.00 C ATOM 836 C ASN A 58 7.258 2.956 2.205 1.00 0.00 C ATOM 837 O ASN A 58 6.165 3.245 2.696 1.00 0.00 O ATOM 838 CB ASN A 58 9.151 4.300 3.155 1.00 0.00 C ATOM 839 CG ASN A 58 10.563 4.752 2.817 1.00 0.00 C ATOM 840 OD1 ASN A 58 11.002 4.663 1.669 1.00 0.00 O ATOM 841 ND2 ASN A 58 11.286 5.238 3.822 1.00 0.00 N ATOM 0 H ASN A 58 7.459 5.940 2.223 1.00 0.00 H new ATOM 0 HA ASN A 58 8.943 3.697 1.105 1.00 0.00 H new ATOM 0 HB2 ASN A 58 8.669 5.060 3.770 1.00 0.00 H new ATOM 0 HB3 ASN A 58 9.200 3.390 3.753 1.00 0.00 H new ATOM 0 HD21 ASN A 58 12.242 5.554 3.657 1.00 0.00 H new ATOM 0 HD22 ASN A 58 10.885 5.295 4.758 1.00 0.00 H new ATOM 848 N VAL A 59 7.604 1.710 1.891 1.00 0.00 N ATOM 849 CA VAL A 59 6.698 0.584 2.112 1.00 0.00 C ATOM 850 C VAL A 59 7.451 -0.643 2.632 1.00 0.00 C ATOM 851 O VAL A 59 8.614 -0.862 2.286 1.00 0.00 O ATOM 852 CB VAL A 59 5.950 0.218 0.809 1.00 0.00 C ATOM 853 CG1 VAL A 59 6.927 -0.249 -0.263 1.00 0.00 C ATOM 854 CG2 VAL A 59 4.887 -0.839 1.072 1.00 0.00 C ATOM 0 H VAL A 59 8.503 1.454 1.483 1.00 0.00 H new ATOM 0 HA VAL A 59 5.974 0.893 2.866 1.00 0.00 H new ATOM 0 HB VAL A 59 5.450 1.115 0.443 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.378 -0.501 -1.170 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.639 0.548 -0.479 1.00 0.00 H new ATOM 0 HG13 VAL A 59 7.464 -1.128 0.092 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.375 -1.080 0.140 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.358 -1.738 1.470 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.166 -0.458 1.795 1.00 0.00 H new ATOM 864 N LEU A 60 6.779 -1.445 3.461 1.00 0.00 N ATOM 865 CA LEU A 60 7.377 -2.649 4.026 1.00 0.00 C ATOM 866 C LEU A 60 6.786 -3.903 3.383 1.00 0.00 C ATOM 867 O LEU A 60 5.584 -4.155 3.482 1.00 0.00 O ATOM 868 CB LEU A 60 7.167 -2.687 5.544 1.00 0.00 C ATOM 869 CG LEU A 60 8.402 -3.068 6.364 1.00 0.00 C ATOM 870 CD1 LEU A 60 9.377 -1.900 6.440 1.00 0.00 C ATOM 871 CD2 LEU A 60 7.998 -3.523 7.761 1.00 0.00 C ATOM 0 H LEU A 60 5.817 -1.278 3.755 1.00 0.00 H new ATOM 0 HA LEU A 60 8.447 -2.626 3.817 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.822 -1.706 5.871 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.370 -3.396 5.767 1.00 0.00 H new ATOM 0 HG LEU A 60 8.902 -3.898 5.865 1.00 0.00 H new ATOM 0 HD11 LEU A 60 10.248 -2.191 7.027 1.00 0.00 H new ATOM 0 HD12 LEU A 60 9.693 -1.624 5.434 1.00 0.00 H new ATOM 0 HD13 LEU A 60 8.888 -1.048 6.913 1.00 0.00 H new ATOM 0 HD21 LEU A 60 8.889 -3.790 8.329 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.472 -2.715 8.269 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.343 -4.391 7.686 1.00 0.00 H new ATOM 883 N ARG A 61 7.642 -4.681 2.724 1.00 0.00 N ATOM 884 CA ARG A 61 7.218 -5.913 2.061 1.00 0.00 C ATOM 885 C ARG A 61 8.309 -6.978 2.173 1.00 0.00 C ATOM 886 O ARG A 61 9.147 -7.119 1.281 1.00 0.00 O ATOM 887 CB ARG A 61 6.896 -5.636 0.586 1.00 0.00 C ATOM 888 CG ARG A 61 5.892 -6.604 -0.018 1.00 0.00 C ATOM 889 CD ARG A 61 6.577 -7.681 -0.846 1.00 0.00 C ATOM 890 NE ARG A 61 5.749 -8.878 -0.981 1.00 0.00 N ATOM 891 CZ ARG A 61 5.562 -9.771 -0.005 1.00 0.00 C ATOM 892 NH1 ARG A 61 6.123 -9.591 1.188 1.00 0.00 N ATOM 893 NH2 ARG A 61 4.805 -10.839 -0.218 1.00 0.00 N ATOM 0 H ARG A 61 8.638 -4.479 2.635 1.00 0.00 H new ATOM 0 HA ARG A 61 6.318 -6.283 2.553 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.509 -4.621 0.493 1.00 0.00 H new ATOM 0 HB3 ARG A 61 7.820 -5.679 0.009 1.00 0.00 H new ATOM 0 HG2 ARG A 61 5.312 -7.071 0.778 1.00 0.00 H new ATOM 0 HG3 ARG A 61 5.189 -6.055 -0.645 1.00 0.00 H new ATOM 0 HD2 ARG A 61 6.807 -7.286 -1.835 1.00 0.00 H new ATOM 0 HD3 ARG A 61 7.526 -7.947 -0.381 1.00 0.00 H new ATOM 0 HE ARG A 61 5.286 -9.041 -1.875 1.00 0.00 H new ATOM 0 HH11 ARG A 61 6.700 -8.768 1.361 1.00 0.00 H new ATOM 0 HH12 ARG A 61 5.976 -10.276 1.929 1.00 0.00 H new ATOM 0 HH21 ARG A 61 4.365 -10.979 -1.128 1.00 0.00 H new ATOM 0 HH22 ARG A 61 4.663 -11.520 0.528 1.00 0.00 H new ATOM 907 N ASN A 62 8.299 -7.718 3.285 1.00 0.00 N ATOM 908 CA ASN A 62 9.287 -8.772 3.540 1.00 0.00 C ATOM 909 C ASN A 62 10.709 -8.207 3.662 1.00 0.00 C ATOM 910 O ASN A 62 11.686 -8.955 3.576 1.00 0.00 O ATOM 911 CB ASN A 62 9.240 -9.839 2.437 1.00 0.00 C ATOM 912 CG ASN A 62 8.693 -11.165 2.938 1.00 0.00 C ATOM 913 OD1 ASN A 62 8.814 -11.495 4.117 1.00 0.00 O ATOM 914 ND2 ASN A 62 8.087 -11.936 2.040 1.00 0.00 N ATOM 0 H ASN A 62 7.611 -7.605 4.030 1.00 0.00 H new ATOM 0 HA ASN A 62 9.026 -9.231 4.493 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.621 -9.481 1.615 1.00 0.00 H new ATOM 0 HB3 ASN A 62 10.243 -9.990 2.038 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.702 -12.838 2.319 1.00 0.00 H new ATOM 0 HD22 ASN A 62 8.008 -11.625 1.072 1.00 0.00 H new ATOM 921 N GLY A 63 10.825 -6.892 3.862 1.00 0.00 N ATOM 922 CA GLY A 63 12.132 -6.271 3.988 1.00 0.00 C ATOM 923 C GLY A 63 12.674 -5.779 2.656 1.00 0.00 C ATOM 924 O GLY A 63 13.887 -5.641 2.488 1.00 0.00 O ATOM 0 H GLY A 63 10.037 -6.249 3.938 1.00 0.00 H new ATOM 0 HA2 GLY A 63 12.067 -5.433 4.682 1.00 0.00 H new ATOM 0 HA3 GLY A 63 12.831 -6.988 4.419 1.00 0.00 H new ATOM 928 N GLU A 64 11.773 -5.519 1.707 1.00 0.00 N ATOM 929 CA GLU A 64 12.158 -5.044 0.383 1.00 0.00 C ATOM 930 C GLU A 64 11.724 -3.595 0.178 1.00 0.00 C ATOM 931 O GLU A 64 10.867 -3.083 0.903 1.00 0.00 O ATOM 932 CB GLU A 64 11.527 -5.923 -0.693 1.00 0.00 C ATOM 933 CG GLU A 64 12.405 -6.121 -1.921 1.00 0.00 C ATOM 934 CD GLU A 64 12.885 -7.551 -2.073 1.00 0.00 C ATOM 935 OE1 GLU A 64 12.031 -8.460 -2.162 1.00 0.00 O ATOM 936 OE2 GLU A 64 14.115 -7.764 -2.104 1.00 0.00 O ATOM 0 H GLU A 64 10.767 -5.631 1.835 1.00 0.00 H new ATOM 0 HA GLU A 64 13.244 -5.098 0.306 1.00 0.00 H new ATOM 0 HB2 GLU A 64 11.296 -6.897 -0.263 1.00 0.00 H new ATOM 0 HB3 GLU A 64 10.581 -5.479 -1.003 1.00 0.00 H new ATOM 0 HG2 GLU A 64 11.847 -5.833 -2.812 1.00 0.00 H new ATOM 0 HG3 GLU A 64 13.267 -5.458 -1.857 1.00 0.00 H new ATOM 943 N ALA A 65 12.316 -2.944 -0.820 1.00 0.00 N ATOM 944 CA ALA A 65 11.989 -1.557 -1.135 1.00 0.00 C ATOM 945 C ALA A 65 11.031 -1.465 -2.325 1.00 0.00 C ATOM 946 O ALA A 65 11.448 -1.598 -3.476 1.00 0.00 O ATOM 947 CB ALA A 65 13.258 -0.755 -1.399 1.00 0.00 C ATOM 0 H ALA A 65 13.026 -3.356 -1.425 1.00 0.00 H new ATOM 0 HA ALA A 65 11.482 -1.129 -0.270 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.995 0.277 -1.632 1.00 0.00 H new ATOM 0 HB2 ALA A 65 13.893 -0.776 -0.513 1.00 0.00 H new ATOM 0 HB3 ALA A 65 13.796 -1.191 -2.241 1.00 0.00 H new ATOM 953 N ALA A 66 9.749 -1.220 -2.030 1.00 0.00 N ATOM 954 CA ALA A 66 8.711 -1.087 -3.059 1.00 0.00 C ATOM 955 C ALA A 66 8.573 -2.351 -3.912 1.00 0.00 C ATOM 956 O ALA A 66 9.440 -2.661 -4.731 1.00 0.00 O ATOM 957 CB ALA A 66 8.990 0.123 -3.940 1.00 0.00 C ATOM 0 H ALA A 66 9.403 -1.109 -1.077 1.00 0.00 H new ATOM 0 HA ALA A 66 7.762 -0.943 -2.543 1.00 0.00 H new ATOM 0 HB1 ALA A 66 8.212 0.208 -4.698 1.00 0.00 H new ATOM 0 HB2 ALA A 66 9.000 1.025 -3.327 1.00 0.00 H new ATOM 0 HB3 ALA A 66 9.958 0.004 -4.426 1.00 0.00 H new ATOM 963 N ALA A 67 7.464 -3.068 -3.718 1.00 0.00 N ATOM 964 CA ALA A 67 7.190 -4.295 -4.467 1.00 0.00 C ATOM 965 C ALA A 67 6.127 -4.057 -5.540 1.00 0.00 C ATOM 966 O ALA A 67 5.229 -3.233 -5.363 1.00 0.00 O ATOM 967 CB ALA A 67 6.740 -5.402 -3.519 1.00 0.00 C ATOM 0 H ALA A 67 6.739 -2.818 -3.046 1.00 0.00 H new ATOM 0 HA ALA A 67 8.111 -4.603 -4.962 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.539 -6.309 -4.089 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.526 -5.598 -2.789 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.833 -5.091 -3.001 1.00 0.00 H new ATOM 973 N LEU A 68 6.229 -4.793 -6.646 1.00 0.00 N ATOM 974 CA LEU A 68 5.269 -4.671 -7.742 1.00 0.00 C ATOM 975 C LEU A 68 4.914 -6.038 -8.313 1.00 0.00 C ATOM 976 O LEU A 68 3.776 -6.495 -8.179 1.00 0.00 O ATOM 977 CB LEU A 68 5.817 -3.769 -8.854 1.00 0.00 C ATOM 978 CG LEU A 68 4.779 -3.283 -9.874 1.00 0.00 C ATOM 979 CD1 LEU A 68 5.342 -2.147 -10.709 1.00 0.00 C ATOM 980 CD2 LEU A 68 4.315 -4.426 -10.771 1.00 0.00 C ATOM 0 H LEU A 68 6.966 -5.479 -6.807 1.00 0.00 H new ATOM 0 HA LEU A 68 4.365 -4.217 -7.336 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.287 -2.899 -8.395 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.599 -4.310 -9.386 1.00 0.00 H new ATOM 0 HG LEU A 68 3.914 -2.913 -9.323 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.591 -1.816 -11.426 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.613 -1.316 -10.058 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.227 -2.492 -11.243 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.580 -4.053 -11.484 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.169 -4.835 -11.311 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.864 -5.208 -10.160 1.00 0.00 H new ATOM 992 N GLY A 69 5.889 -6.687 -8.952 1.00 0.00 N ATOM 993 CA GLY A 69 5.657 -7.995 -9.541 1.00 0.00 C ATOM 994 C GLY A 69 5.661 -9.114 -8.513 1.00 0.00 C ATOM 995 O GLY A 69 6.378 -10.102 -8.672 1.00 0.00 O ATOM 0 H GLY A 69 6.836 -6.328 -9.071 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.699 -7.989 -10.061 1.00 0.00 H new ATOM 0 HA3 GLY A 69 6.425 -8.193 -10.289 1.00 0.00 H new ATOM 999 N GLU A 70 4.852 -8.962 -7.460 1.00 0.00 N ATOM 1000 CA GLU A 70 4.764 -9.971 -6.410 1.00 0.00 C ATOM 1001 C GLU A 70 3.322 -10.445 -6.202 1.00 0.00 C ATOM 1002 O GLU A 70 2.969 -10.929 -5.124 1.00 0.00 O ATOM 1003 CB GLU A 70 5.339 -9.426 -5.102 1.00 0.00 C ATOM 1004 CG GLU A 70 6.689 -10.021 -4.750 1.00 0.00 C ATOM 1005 CD GLU A 70 7.752 -9.681 -5.775 1.00 0.00 C ATOM 1006 OE1 GLU A 70 7.945 -8.478 -6.055 1.00 0.00 O ATOM 1007 OE2 GLU A 70 8.387 -10.617 -6.305 1.00 0.00 O ATOM 0 H GLU A 70 4.251 -8.150 -7.316 1.00 0.00 H new ATOM 0 HA GLU A 70 5.353 -10.832 -6.726 1.00 0.00 H new ATOM 0 HB2 GLU A 70 5.435 -8.343 -5.178 1.00 0.00 H new ATOM 0 HB3 GLU A 70 4.638 -9.628 -4.292 1.00 0.00 H new ATOM 0 HG2 GLU A 70 7.001 -9.655 -3.772 1.00 0.00 H new ATOM 0 HG3 GLU A 70 6.597 -11.104 -4.671 1.00 0.00 H new ATOM 1014 N ALA A 71 2.496 -10.316 -7.242 1.00 0.00 N ATOM 1015 CA ALA A 71 1.098 -10.745 -7.176 1.00 0.00 C ATOM 1016 C ALA A 71 0.988 -12.234 -6.827 1.00 0.00 C ATOM 1017 O ALA A 71 0.010 -12.663 -6.214 1.00 0.00 O ATOM 1018 CB ALA A 71 0.400 -10.468 -8.500 1.00 0.00 C ATOM 0 H ALA A 71 2.771 -9.918 -8.140 1.00 0.00 H new ATOM 0 HA ALA A 71 0.610 -10.175 -6.386 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.639 -10.791 -8.438 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.435 -9.400 -8.713 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.903 -11.014 -9.298 1.00 0.00 H new ATOM 1024 N THR A 72 1.998 -13.016 -7.226 1.00 0.00 N ATOM 1025 CA THR A 72 2.015 -14.458 -6.956 1.00 0.00 C ATOM 1026 C THR A 72 2.708 -14.786 -5.626 1.00 0.00 C ATOM 1027 O THR A 72 2.828 -15.957 -5.259 1.00 0.00 O ATOM 1028 CB THR A 72 2.715 -15.209 -8.097 1.00 0.00 C ATOM 1029 OG1 THR A 72 3.649 -14.372 -8.768 1.00 0.00 O ATOM 1030 CG2 THR A 72 1.755 -15.761 -9.132 1.00 0.00 C ATOM 0 H THR A 72 2.813 -12.675 -7.736 1.00 0.00 H new ATOM 0 HA THR A 72 0.977 -14.782 -6.885 1.00 0.00 H new ATOM 0 HB THR A 72 3.222 -16.045 -7.615 1.00 0.00 H new ATOM 0 HG1 THR A 72 4.081 -14.876 -9.489 1.00 0.00 H new ATOM 0 HG21 THR A 72 2.317 -16.279 -9.909 1.00 0.00 H new ATOM 0 HG22 THR A 72 1.067 -16.459 -8.655 1.00 0.00 H new ATOM 0 HG23 THR A 72 1.190 -14.942 -9.578 1.00 0.00 H new ATOM 1038 N ALA A 73 3.160 -13.758 -4.904 1.00 0.00 N ATOM 1039 CA ALA A 73 3.835 -13.953 -3.622 1.00 0.00 C ATOM 1040 C ALA A 73 2.848 -14.364 -2.530 1.00 0.00 C ATOM 1041 O ALA A 73 1.638 -14.406 -2.756 1.00 0.00 O ATOM 1042 CB ALA A 73 4.570 -12.683 -3.219 1.00 0.00 C ATOM 0 H ALA A 73 3.070 -12.782 -5.187 1.00 0.00 H new ATOM 0 HA ALA A 73 4.557 -14.761 -3.740 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.069 -12.839 -2.263 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.311 -12.435 -3.979 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.857 -11.864 -3.126 1.00 0.00 H new ATOM 1048 N ALA A 74 3.376 -14.662 -1.343 1.00 0.00 N ATOM 1049 CA ALA A 74 2.547 -15.067 -0.210 1.00 0.00 C ATOM 1050 C ALA A 74 2.082 -13.852 0.599 1.00 0.00 C ATOM 1051 O ALA A 74 2.276 -13.790 1.817 1.00 0.00 O ATOM 1052 CB ALA A 74 3.311 -16.045 0.676 1.00 0.00 C ATOM 0 H ALA A 74 4.375 -14.630 -1.142 1.00 0.00 H new ATOM 0 HA ALA A 74 1.658 -15.565 -0.598 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.684 -16.340 1.517 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.579 -16.928 0.096 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.217 -15.567 1.049 1.00 0.00 H new ATOM 1058 N GLY A 75 1.465 -12.887 -0.084 1.00 0.00 N ATOM 1059 CA GLY A 75 0.980 -11.692 0.584 1.00 0.00 C ATOM 1060 C GLY A 75 1.246 -10.425 -0.207 1.00 0.00 C ATOM 1061 O GLY A 75 2.068 -10.420 -1.126 1.00 0.00 O ATOM 0 H GLY A 75 1.293 -12.914 -1.089 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.092 -11.788 0.757 1.00 0.00 H new ATOM 0 HA3 GLY A 75 1.455 -11.610 1.562 1.00 0.00 H new ATOM 1065 N ASP A 76 0.549 -9.350 0.157 1.00 0.00 N ATOM 1066 CA ASP A 76 0.710 -8.062 -0.518 1.00 0.00 C ATOM 1067 C ASP A 76 1.887 -7.289 0.076 1.00 0.00 C ATOM 1068 O ASP A 76 2.909 -7.096 -0.581 1.00 0.00 O ATOM 1069 CB ASP A 76 -0.581 -7.237 -0.411 1.00 0.00 C ATOM 1070 CG ASP A 76 -1.708 -7.770 -1.285 1.00 0.00 C ATOM 1071 OD1 ASP A 76 -1.794 -9.003 -1.466 1.00 0.00 O ATOM 1072 OD2 ASP A 76 -2.509 -6.951 -1.779 1.00 0.00 O ATOM 0 H ASP A 76 -0.133 -9.345 0.916 1.00 0.00 H new ATOM 0 HA ASP A 76 0.917 -8.248 -1.572 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.911 -7.224 0.628 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.369 -6.205 -0.692 1.00 0.00 H new ATOM 1077 N GLU A 77 1.730 -6.861 1.328 1.00 0.00 N ATOM 1078 CA GLU A 77 2.775 -6.115 2.036 1.00 0.00 C ATOM 1079 C GLU A 77 2.508 -6.106 3.543 1.00 0.00 C ATOM 1080 O GLU A 77 1.607 -6.796 4.025 1.00 0.00 O ATOM 1081 CB GLU A 77 2.874 -4.677 1.504 1.00 0.00 C ATOM 1082 CG GLU A 77 1.527 -4.026 1.224 1.00 0.00 C ATOM 1083 CD GLU A 77 1.370 -3.610 -0.226 1.00 0.00 C ATOM 1084 OE1 GLU A 77 2.181 -2.787 -0.700 1.00 0.00 O ATOM 1085 OE2 GLU A 77 0.434 -4.105 -0.888 1.00 0.00 O ATOM 0 H GLU A 77 0.885 -7.018 1.877 1.00 0.00 H new ATOM 0 HA GLU A 77 3.726 -6.616 1.856 1.00 0.00 H new ATOM 0 HB2 GLU A 77 3.416 -4.069 2.228 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.462 -4.680 0.586 1.00 0.00 H new ATOM 0 HG2 GLU A 77 0.730 -4.722 1.487 1.00 0.00 H new ATOM 0 HG3 GLU A 77 1.411 -3.151 1.864 1.00 0.00 H new ATOM 1092 N LEU A 78 3.298 -5.328 4.285 1.00 0.00 N ATOM 1093 CA LEU A 78 3.142 -5.237 5.734 1.00 0.00 C ATOM 1094 C LEU A 78 2.576 -3.872 6.139 1.00 0.00 C ATOM 1095 O LEU A 78 1.582 -3.793 6.863 1.00 0.00 O ATOM 1096 CB LEU A 78 4.490 -5.468 6.425 1.00 0.00 C ATOM 1097 CG LEU A 78 4.840 -6.932 6.740 1.00 0.00 C ATOM 1098 CD1 LEU A 78 3.887 -7.505 7.778 1.00 0.00 C ATOM 1099 CD2 LEU A 78 4.828 -7.781 5.473 1.00 0.00 C ATOM 0 H LEU A 78 4.050 -4.754 3.905 1.00 0.00 H new ATOM 0 HA LEU A 78 2.440 -6.009 6.049 1.00 0.00 H new ATOM 0 HB2 LEU A 78 5.276 -5.054 5.793 1.00 0.00 H new ATOM 0 HB3 LEU A 78 4.500 -4.903 7.357 1.00 0.00 H new ATOM 0 HG LEU A 78 5.848 -6.954 7.153 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.154 -8.541 7.985 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.956 -6.922 8.697 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.866 -7.462 7.398 1.00 0.00 H new ATOM 0 HD21 LEU A 78 5.079 -8.812 5.723 1.00 0.00 H new ATOM 0 HD22 LEU A 78 3.836 -7.748 5.022 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.561 -7.391 4.767 1.00 0.00 H new ATOM 1111 N ALA A 79 3.222 -2.802 5.666 1.00 0.00 N ATOM 1112 CA ALA A 79 2.798 -1.435 5.974 1.00 0.00 C ATOM 1113 C ALA A 79 3.327 -0.448 4.927 1.00 0.00 C ATOM 1114 O ALA A 79 4.153 -0.810 4.091 1.00 0.00 O ATOM 1115 CB ALA A 79 3.283 -1.045 7.365 1.00 0.00 C ATOM 0 H ALA A 79 4.045 -2.858 5.065 1.00 0.00 H new ATOM 0 HA ALA A 79 1.709 -1.396 5.952 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.965 -0.027 7.589 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.861 -1.728 8.102 1.00 0.00 H new ATOM 0 HB3 ALA A 79 4.371 -1.101 7.400 1.00 0.00 H new ATOM 1121 N LEU A 80 2.846 0.798 4.976 1.00 0.00 N ATOM 1122 CA LEU A 80 3.279 1.827 4.025 1.00 0.00 C ATOM 1123 C LEU A 80 3.270 3.215 4.673 1.00 0.00 C ATOM 1124 O LEU A 80 2.211 3.751 5.003 1.00 0.00 O ATOM 1125 CB LEU A 80 2.378 1.810 2.783 1.00 0.00 C ATOM 1126 CG LEU A 80 3.015 2.371 1.507 1.00 0.00 C ATOM 1127 CD1 LEU A 80 2.669 1.501 0.307 1.00 0.00 C ATOM 1128 CD2 LEU A 80 2.565 3.807 1.274 1.00 0.00 C ATOM 0 H LEU A 80 2.160 1.118 5.660 1.00 0.00 H new ATOM 0 HA LEU A 80 4.302 1.604 3.723 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.067 0.783 2.593 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.475 2.381 3.001 1.00 0.00 H new ATOM 0 HG LEU A 80 4.098 2.365 1.633 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.131 1.916 -0.589 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.041 0.490 0.471 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.587 1.473 0.178 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.027 4.190 0.364 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.480 3.836 1.171 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.865 4.424 2.121 1.00 0.00 H new ATOM 1140 N PHE A 81 4.461 3.787 4.856 1.00 0.00 N ATOM 1141 CA PHE A 81 4.598 5.111 5.471 1.00 0.00 C ATOM 1142 C PHE A 81 5.508 6.015 4.634 1.00 0.00 C ATOM 1143 O PHE A 81 6.560 5.583 4.167 1.00 0.00 O ATOM 1144 CB PHE A 81 5.158 4.987 6.894 1.00 0.00 C ATOM 1145 CG PHE A 81 4.464 3.952 7.740 1.00 0.00 C ATOM 1146 CD1 PHE A 81 3.084 3.954 7.878 1.00 0.00 C ATOM 1147 CD2 PHE A 81 5.196 2.974 8.396 1.00 0.00 C ATOM 1148 CE1 PHE A 81 2.449 3.003 8.652 1.00 0.00 C ATOM 1149 CE2 PHE A 81 4.566 2.021 9.173 1.00 0.00 C ATOM 1150 CZ PHE A 81 3.191 2.034 9.300 1.00 0.00 C ATOM 0 H PHE A 81 5.345 3.355 4.588 1.00 0.00 H new ATOM 0 HA PHE A 81 3.607 5.562 5.515 1.00 0.00 H new ATOM 0 HB2 PHE A 81 6.218 4.741 6.835 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.082 5.955 7.389 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.499 4.709 7.374 1.00 0.00 H new ATOM 0 HD2 PHE A 81 6.271 2.957 8.298 1.00 0.00 H new ATOM 0 HE1 PHE A 81 1.374 3.017 8.751 1.00 0.00 H new ATOM 0 HE2 PHE A 81 5.148 1.266 9.681 1.00 0.00 H new ATOM 0 HZ PHE A 81 2.696 1.288 9.905 1.00 0.00 H new ATOM 1160 N PRO A 82 5.114 7.290 4.436 1.00 0.00 N ATOM 1161 CA PRO A 82 5.904 8.251 3.654 1.00 0.00 C ATOM 1162 C PRO A 82 7.181 8.689 4.379 1.00 0.00 C ATOM 1163 O PRO A 82 7.202 8.794 5.605 1.00 0.00 O ATOM 1164 CB PRO A 82 4.950 9.436 3.482 1.00 0.00 C ATOM 1165 CG PRO A 82 4.033 9.356 4.653 1.00 0.00 C ATOM 1166 CD PRO A 82 3.870 7.893 4.959 1.00 0.00 C ATOM 0 HA PRO A 82 6.249 7.823 2.713 1.00 0.00 H new ATOM 0 HB2 PRO A 82 5.492 10.382 3.467 1.00 0.00 H new ATOM 0 HB3 PRO A 82 4.400 9.369 2.543 1.00 0.00 H new ATOM 0 HG2 PRO A 82 4.447 9.889 5.509 1.00 0.00 H new ATOM 0 HG3 PRO A 82 3.071 9.816 4.426 1.00 0.00 H new ATOM 0 HD2 PRO A 82 3.758 7.717 6.029 1.00 0.00 H new ATOM 0 HD3 PRO A 82 2.987 7.477 4.473 1.00 0.00 H new ATOM 1174 N PRO A 83 8.268 8.950 3.622 1.00 0.00 N ATOM 1175 CA PRO A 83 9.553 9.376 4.194 1.00 0.00 C ATOM 1176 C PRO A 83 9.519 10.815 4.708 1.00 0.00 C ATOM 1177 O PRO A 83 8.978 11.702 4.049 1.00 0.00 O ATOM 1178 CB PRO A 83 10.523 9.253 3.015 1.00 0.00 C ATOM 1179 CG PRO A 83 9.672 9.431 1.806 1.00 0.00 C ATOM 1180 CD PRO A 83 8.330 8.846 2.150 1.00 0.00 C ATOM 0 HA PRO A 83 9.830 8.775 5.060 1.00 0.00 H new ATOM 0 HB2 PRO A 83 11.305 10.011 3.064 1.00 0.00 H new ATOM 0 HB3 PRO A 83 11.020 8.283 3.010 1.00 0.00 H new ATOM 0 HG2 PRO A 83 9.582 10.485 1.545 1.00 0.00 H new ATOM 0 HG3 PRO A 83 10.108 8.925 0.945 1.00 0.00 H new ATOM 0 HD2 PRO A 83 7.519 9.398 1.675 1.00 0.00 H new ATOM 0 HD3 PRO A 83 8.248 7.811 1.818 1.00 0.00 H new