USER MOD reduce.3.24.130724 H: found=0, std=0, add=448, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 450 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 Set 1.1: A 22 GLN : amide:sc= 2.31 K(o=3.3,f=1.3) USER MOD Set 1.2: A 62 SER OG : rot 180:sc= 0.995 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 83:sc= 1.22 USER MOD Single : A 12 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0245) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 166:sc= 0.845 (180deg=0.38) USER MOD Single : A 21 ASN : amide:sc= 0.789 K(o=0.79,f=0) USER MOD Single : A 24 SER OG : rot 77:sc= 1.25 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.416) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN :FLIP amide:sc= -0.283 F(o=-1.1,f=-0.28) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0.348 X(o=0.35,f=-0.097) USER MOD Single : A 67 GLN : amide:sc= 1.08 K(o=1.1,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 170:sc=-0.00833 (180deg=-0.122) USER MOD ----------------------------------------------------------------- ATOM 74 N PRO A 3 5.703 15.278 -3.494 1.00 0.00 N ATOM 75 CA PRO A 3 7.065 15.457 -3.977 1.00 0.00 C ATOM 76 C PRO A 3 7.626 16.851 -3.683 1.00 0.00 C ATOM 77 O PRO A 3 8.532 16.985 -2.868 1.00 0.00 O ATOM 78 CB PRO A 3 7.034 15.127 -5.475 1.00 0.00 C ATOM 79 CG PRO A 3 5.859 14.159 -5.583 1.00 0.00 C ATOM 80 CD PRO A 3 4.876 14.692 -4.541 1.00 0.00 C ATOM 0 HA PRO A 3 7.750 14.792 -3.451 1.00 0.00 H new ATOM 0 HB2 PRO A 3 6.881 16.019 -6.083 1.00 0.00 H new ATOM 0 HB3 PRO A 3 7.966 14.671 -5.808 1.00 0.00 H new ATOM 0 HG2 PRO A 3 5.426 14.160 -6.583 1.00 0.00 H new ATOM 0 HG3 PRO A 3 6.160 13.134 -5.367 1.00 0.00 H new ATOM 0 HD2 PRO A 3 4.207 15.435 -4.976 1.00 0.00 H new ATOM 0 HD3 PRO A 3 4.250 13.892 -4.146 1.00 0.00 H new ATOM 88 N ALA A 4 7.098 17.894 -4.332 1.00 0.00 N ATOM 89 CA ALA A 4 7.577 19.264 -4.156 1.00 0.00 C ATOM 90 C ALA A 4 7.591 19.718 -2.701 1.00 0.00 C ATOM 91 O ALA A 4 8.451 20.491 -2.289 1.00 0.00 O ATOM 92 CB ALA A 4 6.762 20.219 -5.030 1.00 0.00 C ATOM 0 H ALA A 4 6.326 17.809 -4.994 1.00 0.00 H new ATOM 0 HA ALA A 4 8.618 19.282 -4.478 1.00 0.00 H new ATOM 0 HB1 ALA A 4 7.125 21.237 -4.893 1.00 0.00 H new ATOM 0 HB2 ALA A 4 6.868 19.934 -6.077 1.00 0.00 H new ATOM 0 HB3 ALA A 4 5.711 20.167 -4.744 1.00 0.00 H new ATOM 98 N GLU A 5 6.637 19.221 -1.929 1.00 0.00 N ATOM 99 CA GLU A 5 6.489 19.532 -0.517 1.00 0.00 C ATOM 100 C GLU A 5 7.698 18.979 0.242 1.00 0.00 C ATOM 101 O GLU A 5 8.461 19.739 0.843 1.00 0.00 O ATOM 102 CB GLU A 5 5.152 18.975 -0.005 1.00 0.00 C ATOM 103 CG GLU A 5 4.888 19.276 1.478 1.00 0.00 C ATOM 104 CD GLU A 5 3.547 18.706 1.938 1.00 0.00 C ATOM 105 OE1 GLU A 5 3.164 17.643 1.402 1.00 0.00 O ATOM 106 OE2 GLU A 5 2.920 19.345 2.811 1.00 0.00 O ATOM 0 H GLU A 5 5.928 18.575 -2.276 1.00 0.00 H new ATOM 0 HA GLU A 5 6.465 20.609 -0.353 1.00 0.00 H new ATOM 0 HB2 GLU A 5 4.341 19.393 -0.602 1.00 0.00 H new ATOM 0 HB3 GLU A 5 5.136 17.896 -0.157 1.00 0.00 H new ATOM 0 HG2 GLU A 5 5.690 18.854 2.084 1.00 0.00 H new ATOM 0 HG3 GLU A 5 4.900 20.354 1.639 1.00 0.00 H new ATOM 113 N LEU A 6 7.883 17.652 0.211 1.00 0.00 N ATOM 114 CA LEU A 6 8.994 17.028 0.921 1.00 0.00 C ATOM 115 C LEU A 6 10.336 17.527 0.410 1.00 0.00 C ATOM 116 O LEU A 6 11.279 17.703 1.177 1.00 0.00 O ATOM 117 CB LEU A 6 8.845 15.502 1.016 1.00 0.00 C ATOM 118 CG LEU A 6 8.989 14.731 -0.306 1.00 0.00 C ATOM 119 CD1 LEU A 6 10.442 14.322 -0.585 1.00 0.00 C ATOM 120 CD2 LEU A 6 8.124 13.470 -0.251 1.00 0.00 C ATOM 0 H LEU A 6 7.282 17.001 -0.294 1.00 0.00 H new ATOM 0 HA LEU A 6 8.961 17.352 1.961 1.00 0.00 H new ATOM 0 HB2 LEU A 6 9.591 15.126 1.717 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.867 15.277 1.441 1.00 0.00 H new ATOM 0 HG LEU A 6 8.666 15.393 -1.109 1.00 0.00 H new ATOM 0 HD11 LEU A 6 10.493 13.780 -1.529 1.00 0.00 H new ATOM 0 HD12 LEU A 6 11.066 15.214 -0.644 1.00 0.00 H new ATOM 0 HD13 LEU A 6 10.801 13.681 0.220 1.00 0.00 H new ATOM 0 HD21 LEU A 6 8.223 12.920 -1.187 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.451 12.840 0.576 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.081 13.750 -0.104 1.00 0.00 H new ATOM 132 N LYS A 7 10.391 17.780 -0.891 1.00 0.00 N ATOM 133 CA LYS A 7 11.549 18.327 -1.581 1.00 0.00 C ATOM 134 C LYS A 7 11.881 19.684 -0.963 1.00 0.00 C ATOM 135 O LYS A 7 12.986 19.876 -0.464 1.00 0.00 O ATOM 136 CB LYS A 7 11.241 18.428 -3.081 1.00 0.00 C ATOM 137 CG LYS A 7 11.518 17.086 -3.771 1.00 0.00 C ATOM 138 CD LYS A 7 11.115 17.145 -5.248 1.00 0.00 C ATOM 139 CE LYS A 7 11.370 15.792 -5.920 1.00 0.00 C ATOM 140 NZ LYS A 7 10.984 15.817 -7.341 1.00 0.00 N ATOM 0 H LYS A 7 9.604 17.604 -1.515 1.00 0.00 H new ATOM 0 HA LYS A 7 12.420 17.681 -1.471 1.00 0.00 H new ATOM 0 HB2 LYS A 7 10.199 18.712 -3.227 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.851 19.210 -3.533 1.00 0.00 H new ATOM 0 HG2 LYS A 7 12.576 16.840 -3.687 1.00 0.00 H new ATOM 0 HG3 LYS A 7 10.965 16.292 -3.269 1.00 0.00 H new ATOM 0 HD2 LYS A 7 10.061 17.410 -5.335 1.00 0.00 H new ATOM 0 HD3 LYS A 7 11.682 17.925 -5.756 1.00 0.00 H new ATOM 0 HE2 LYS A 7 12.425 15.534 -5.833 1.00 0.00 H new ATOM 0 HE3 LYS A 7 10.808 15.015 -5.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 11.169 14.887 -7.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 9.971 16.040 -7.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 11.539 16.542 -7.839 1.00 0.00 H new ATOM 154 N SER A 8 10.926 20.618 -0.973 1.00 0.00 N ATOM 155 CA SER A 8 11.114 21.945 -0.405 1.00 0.00 C ATOM 156 C SER A 8 11.568 21.861 1.051 1.00 0.00 C ATOM 157 O SER A 8 12.550 22.499 1.420 1.00 0.00 O ATOM 158 CB SER A 8 9.832 22.775 -0.522 1.00 0.00 C ATOM 159 OG SER A 8 9.499 22.970 -1.881 1.00 0.00 O ATOM 0 H SER A 8 10.001 20.470 -1.377 1.00 0.00 H new ATOM 0 HA SER A 8 11.898 22.443 -0.975 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.014 22.269 -0.009 1.00 0.00 H new ATOM 0 HB3 SER A 8 9.968 23.739 -0.032 1.00 0.00 H new ATOM 0 HG SER A 8 9.018 22.185 -2.216 1.00 0.00 H new ATOM 165 N ILE A 9 10.866 21.082 1.881 1.00 0.00 N ATOM 166 CA ILE A 9 11.217 20.946 3.293 1.00 0.00 C ATOM 167 C ILE A 9 12.655 20.427 3.428 1.00 0.00 C ATOM 168 O ILE A 9 13.491 21.039 4.094 1.00 0.00 O ATOM 169 CB ILE A 9 10.192 20.041 4.008 1.00 0.00 C ATOM 170 CG1 ILE A 9 8.807 20.717 4.024 1.00 0.00 C ATOM 171 CG2 ILE A 9 10.641 19.741 5.447 1.00 0.00 C ATOM 172 CD1 ILE A 9 7.679 19.747 4.394 1.00 0.00 C ATOM 0 H ILE A 9 10.052 20.537 1.596 1.00 0.00 H new ATOM 0 HA ILE A 9 11.179 21.921 3.779 1.00 0.00 H new ATOM 0 HB ILE A 9 10.127 19.101 3.461 1.00 0.00 H new ATOM 0 HG12 ILE A 9 8.819 21.543 4.736 1.00 0.00 H new ATOM 0 HG13 ILE A 9 8.605 21.145 3.042 1.00 0.00 H new ATOM 0 HG21 ILE A 9 9.904 19.102 5.932 1.00 0.00 H new ATOM 0 HG22 ILE A 9 11.606 19.234 5.429 1.00 0.00 H new ATOM 0 HG23 ILE A 9 10.733 20.675 6.002 1.00 0.00 H new ATOM 0 HD11 ILE A 9 6.727 20.278 4.390 1.00 0.00 H new ATOM 0 HD12 ILE A 9 7.645 18.935 3.668 1.00 0.00 H new ATOM 0 HD13 ILE A 9 7.862 19.338 5.388 1.00 0.00 H new ATOM 184 N PHE A 10 12.938 19.292 2.784 1.00 0.00 N ATOM 185 CA PHE A 10 14.245 18.656 2.806 1.00 0.00 C ATOM 186 C PHE A 10 15.328 19.663 2.418 1.00 0.00 C ATOM 187 O PHE A 10 16.287 19.868 3.159 1.00 0.00 O ATOM 188 CB PHE A 10 14.235 17.442 1.866 1.00 0.00 C ATOM 189 CG PHE A 10 15.560 16.715 1.790 1.00 0.00 C ATOM 190 CD1 PHE A 10 16.588 17.212 0.970 1.00 0.00 C ATOM 191 CD2 PHE A 10 15.805 15.604 2.617 1.00 0.00 C ATOM 192 CE1 PHE A 10 17.875 16.664 1.052 1.00 0.00 C ATOM 193 CE2 PHE A 10 17.062 14.979 2.601 1.00 0.00 C ATOM 194 CZ PHE A 10 18.111 15.537 1.857 1.00 0.00 C ATOM 0 H PHE A 10 12.250 18.786 2.226 1.00 0.00 H new ATOM 0 HA PHE A 10 14.471 18.307 3.814 1.00 0.00 H new ATOM 0 HB2 PHE A 10 13.467 16.744 2.198 1.00 0.00 H new ATOM 0 HB3 PHE A 10 13.955 17.772 0.866 1.00 0.00 H new ATOM 0 HD1 PHE A 10 16.386 18.016 0.277 1.00 0.00 H new ATOM 0 HD2 PHE A 10 15.025 15.231 3.265 1.00 0.00 H new ATOM 0 HE1 PHE A 10 18.687 17.109 0.496 1.00 0.00 H new ATOM 0 HE2 PHE A 10 17.221 14.069 3.161 1.00 0.00 H new ATOM 0 HZ PHE A 10 19.098 15.102 1.903 1.00 0.00 H new ATOM 204 N GLU A 11 15.169 20.294 1.252 1.00 0.00 N ATOM 205 CA GLU A 11 16.109 21.270 0.729 1.00 0.00 C ATOM 206 C GLU A 11 16.284 22.428 1.708 1.00 0.00 C ATOM 207 O GLU A 11 17.412 22.816 1.992 1.00 0.00 O ATOM 208 CB GLU A 11 15.640 21.757 -0.647 1.00 0.00 C ATOM 209 CG GLU A 11 15.793 20.652 -1.703 1.00 0.00 C ATOM 210 CD GLU A 11 15.108 21.029 -3.012 1.00 0.00 C ATOM 211 OE1 GLU A 11 15.445 22.113 -3.536 1.00 0.00 O ATOM 212 OE2 GLU A 11 14.260 20.229 -3.465 1.00 0.00 O ATOM 0 H GLU A 11 14.369 20.134 0.640 1.00 0.00 H new ATOM 0 HA GLU A 11 17.085 20.799 0.608 1.00 0.00 H new ATOM 0 HB2 GLU A 11 14.597 22.069 -0.590 1.00 0.00 H new ATOM 0 HB3 GLU A 11 16.219 22.632 -0.944 1.00 0.00 H new ATOM 0 HG2 GLU A 11 16.851 20.466 -1.886 1.00 0.00 H new ATOM 0 HG3 GLU A 11 15.367 19.723 -1.323 1.00 0.00 H new ATOM 219 N LYS A 12 15.185 22.980 2.230 1.00 0.00 N ATOM 220 CA LYS A 12 15.234 24.084 3.180 1.00 0.00 C ATOM 221 C LYS A 12 16.097 23.707 4.387 1.00 0.00 C ATOM 222 O LYS A 12 16.875 24.528 4.869 1.00 0.00 O ATOM 223 CB LYS A 12 13.809 24.494 3.583 1.00 0.00 C ATOM 224 CG LYS A 12 13.752 25.655 4.588 1.00 0.00 C ATOM 225 CD LYS A 12 14.422 26.926 4.045 1.00 0.00 C ATOM 226 CE LYS A 12 14.191 28.128 4.968 1.00 0.00 C ATOM 227 NZ LYS A 12 14.803 27.926 6.293 1.00 0.00 N ATOM 0 H LYS A 12 14.240 22.671 2.003 1.00 0.00 H new ATOM 0 HA LYS A 12 15.701 24.950 2.711 1.00 0.00 H new ATOM 0 HB2 LYS A 12 13.256 24.776 2.687 1.00 0.00 H new ATOM 0 HB3 LYS A 12 13.301 23.630 4.012 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.712 25.871 4.833 1.00 0.00 H new ATOM 0 HG3 LYS A 12 14.242 25.356 5.515 1.00 0.00 H new ATOM 0 HD2 LYS A 12 15.492 26.754 3.933 1.00 0.00 H new ATOM 0 HD3 LYS A 12 14.030 27.149 3.053 1.00 0.00 H new ATOM 0 HE2 LYS A 12 14.607 29.024 4.508 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.120 28.297 5.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.669 28.780 6.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 14.352 27.115 6.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 15.820 27.740 6.181 1.00 0.00 H new ATOM 241 N TYR A 13 15.974 22.468 4.871 1.00 0.00 N ATOM 242 CA TYR A 13 16.775 22.020 5.999 1.00 0.00 C ATOM 243 C TYR A 13 18.224 21.825 5.559 1.00 0.00 C ATOM 244 O TYR A 13 19.131 22.472 6.081 1.00 0.00 O ATOM 245 CB TYR A 13 16.227 20.702 6.567 1.00 0.00 C ATOM 246 CG TYR A 13 15.252 20.864 7.712 1.00 0.00 C ATOM 247 CD1 TYR A 13 14.023 21.516 7.508 1.00 0.00 C ATOM 248 CD2 TYR A 13 15.587 20.392 8.996 1.00 0.00 C ATOM 249 CE1 TYR A 13 13.133 21.691 8.581 1.00 0.00 C ATOM 250 CE2 TYR A 13 14.726 20.626 10.072 1.00 0.00 C ATOM 251 CZ TYR A 13 13.489 21.254 9.868 1.00 0.00 C ATOM 252 OH TYR A 13 12.639 21.426 10.919 1.00 0.00 O ATOM 0 H TYR A 13 15.332 21.768 4.499 1.00 0.00 H new ATOM 0 HA TYR A 13 16.728 22.781 6.778 1.00 0.00 H new ATOM 0 HB2 TYR A 13 15.735 20.153 5.764 1.00 0.00 H new ATOM 0 HB3 TYR A 13 17.065 20.092 6.905 1.00 0.00 H new ATOM 0 HD1 TYR A 13 13.763 21.882 6.526 1.00 0.00 H new ATOM 0 HD2 TYR A 13 16.508 19.850 9.149 1.00 0.00 H new ATOM 0 HE1 TYR A 13 12.175 22.162 8.416 1.00 0.00 H new ATOM 0 HE2 TYR A 13 15.015 20.321 11.067 1.00 0.00 H new ATOM 0 HH TYR A 13 13.047 21.063 11.733 1.00 0.00 H new ATOM 262 N ALA A 14 18.438 20.921 4.603 1.00 0.00 N ATOM 263 CA ALA A 14 19.754 20.567 4.101 1.00 0.00 C ATOM 264 C ALA A 14 20.573 21.785 3.674 1.00 0.00 C ATOM 265 O ALA A 14 21.782 21.812 3.873 1.00 0.00 O ATOM 266 CB ALA A 14 19.613 19.535 2.986 1.00 0.00 C ATOM 0 H ALA A 14 17.682 20.407 4.150 1.00 0.00 H new ATOM 0 HA ALA A 14 20.322 20.120 4.917 1.00 0.00 H new ATOM 0 HB1 ALA A 14 20.601 19.269 2.609 1.00 0.00 H new ATOM 0 HB2 ALA A 14 19.121 18.644 3.375 1.00 0.00 H new ATOM 0 HB3 ALA A 14 19.016 19.954 2.176 1.00 0.00 H new ATOM 272 N ALA A 15 19.939 22.812 3.107 1.00 0.00 N ATOM 273 CA ALA A 15 20.627 24.031 2.705 1.00 0.00 C ATOM 274 C ALA A 15 21.440 24.631 3.861 1.00 0.00 C ATOM 275 O ALA A 15 22.485 25.228 3.617 1.00 0.00 O ATOM 276 CB ALA A 15 19.623 25.036 2.141 1.00 0.00 C ATOM 0 H ALA A 15 18.937 22.819 2.916 1.00 0.00 H new ATOM 0 HA ALA A 15 21.340 23.780 1.920 1.00 0.00 H new ATOM 0 HB1 ALA A 15 20.146 25.945 1.843 1.00 0.00 H new ATOM 0 HB2 ALA A 15 19.124 24.604 1.274 1.00 0.00 H new ATOM 0 HB3 ALA A 15 18.882 25.277 2.903 1.00 0.00 H new ATOM 282 N LYS A 16 20.999 24.462 5.116 1.00 0.00 N ATOM 283 CA LYS A 16 21.739 24.972 6.269 1.00 0.00 C ATOM 284 C LYS A 16 23.142 24.352 6.345 1.00 0.00 C ATOM 285 O LYS A 16 24.063 24.962 6.881 1.00 0.00 O ATOM 286 CB LYS A 16 20.962 24.716 7.566 1.00 0.00 C ATOM 287 CG LYS A 16 19.615 25.458 7.580 1.00 0.00 C ATOM 288 CD LYS A 16 18.936 25.404 8.959 1.00 0.00 C ATOM 289 CE LYS A 16 17.960 24.231 9.120 1.00 0.00 C ATOM 290 NZ LYS A 16 18.602 22.927 8.890 1.00 0.00 N ATOM 0 H LYS A 16 20.134 23.976 5.354 1.00 0.00 H new ATOM 0 HA LYS A 16 21.855 26.049 6.144 1.00 0.00 H new ATOM 0 HB2 LYS A 16 20.789 23.646 7.681 1.00 0.00 H new ATOM 0 HB3 LYS A 16 21.562 25.035 8.418 1.00 0.00 H new ATOM 0 HG2 LYS A 16 19.772 26.498 7.295 1.00 0.00 H new ATOM 0 HG3 LYS A 16 18.953 25.019 6.833 1.00 0.00 H new ATOM 0 HD2 LYS A 16 19.704 25.335 9.730 1.00 0.00 H new ATOM 0 HD3 LYS A 16 18.399 26.338 9.127 1.00 0.00 H new ATOM 0 HE2 LYS A 16 17.535 24.251 10.124 1.00 0.00 H new ATOM 0 HE3 LYS A 16 17.132 24.353 8.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 17.981 22.168 9.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 18.772 22.798 7.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 19.508 22.892 9.399 1.00 0.00 H new ATOM 304 N GLU A 17 23.306 23.146 5.794 1.00 0.00 N ATOM 305 CA GLU A 17 24.565 22.417 5.750 1.00 0.00 C ATOM 306 C GLU A 17 25.453 22.917 4.606 1.00 0.00 C ATOM 307 O GLU A 17 26.573 22.440 4.432 1.00 0.00 O ATOM 308 CB GLU A 17 24.269 20.937 5.489 1.00 0.00 C ATOM 309 CG GLU A 17 23.147 20.330 6.346 1.00 0.00 C ATOM 310 CD GLU A 17 23.480 20.262 7.828 1.00 0.00 C ATOM 311 OE1 GLU A 17 23.616 21.340 8.446 1.00 0.00 O ATOM 312 OE2 GLU A 17 23.556 19.119 8.324 1.00 0.00 O ATOM 0 H GLU A 17 22.538 22.639 5.354 1.00 0.00 H new ATOM 0 HA GLU A 17 25.078 22.566 6.700 1.00 0.00 H new ATOM 0 HB2 GLU A 17 24.007 20.816 4.438 1.00 0.00 H new ATOM 0 HB3 GLU A 17 25.182 20.366 5.658 1.00 0.00 H new ATOM 0 HG2 GLU A 17 22.240 20.920 6.213 1.00 0.00 H new ATOM 0 HG3 GLU A 17 22.929 19.325 5.985 1.00 0.00 H new ATOM 319 N GLY A 18 24.948 23.839 3.788 1.00 0.00 N ATOM 320 CA GLY A 18 25.644 24.381 2.636 1.00 0.00 C ATOM 321 C GLY A 18 25.225 23.558 1.427 1.00 0.00 C ATOM 322 O GLY A 18 24.688 24.095 0.464 1.00 0.00 O ATOM 0 H GLY A 18 24.018 24.237 3.917 1.00 0.00 H new ATOM 0 HA2 GLY A 18 25.390 25.431 2.493 1.00 0.00 H new ATOM 0 HA3 GLY A 18 26.723 24.331 2.780 1.00 0.00 H new ATOM 326 N ASP A 19 25.457 22.244 1.489 1.00 0.00 N ATOM 327 CA ASP A 19 25.078 21.318 0.430 1.00 0.00 C ATOM 328 C ASP A 19 23.581 20.991 0.547 1.00 0.00 C ATOM 329 O ASP A 19 23.197 20.332 1.514 1.00 0.00 O ATOM 330 CB ASP A 19 25.899 20.028 0.550 1.00 0.00 C ATOM 331 CG ASP A 19 25.381 18.969 -0.420 1.00 0.00 C ATOM 332 OD1 ASP A 19 25.378 19.265 -1.634 1.00 0.00 O ATOM 333 OD2 ASP A 19 24.964 17.898 0.069 1.00 0.00 O ATOM 0 H ASP A 19 25.916 21.795 2.282 1.00 0.00 H new ATOM 0 HA ASP A 19 25.274 21.778 -0.539 1.00 0.00 H new ATOM 0 HB2 ASP A 19 26.948 20.238 0.342 1.00 0.00 H new ATOM 0 HB3 ASP A 19 25.846 19.651 1.571 1.00 0.00 H new ATOM 338 N PRO A 20 22.720 21.399 -0.401 1.00 0.00 N ATOM 339 CA PRO A 20 21.297 21.103 -0.344 1.00 0.00 C ATOM 340 C PRO A 20 21.066 19.647 -0.775 1.00 0.00 C ATOM 341 O PRO A 20 20.402 19.380 -1.778 1.00 0.00 O ATOM 342 CB PRO A 20 20.657 22.111 -1.304 1.00 0.00 C ATOM 343 CG PRO A 20 21.721 22.253 -2.392 1.00 0.00 C ATOM 344 CD PRO A 20 23.029 22.162 -1.604 1.00 0.00 C ATOM 0 HA PRO A 20 20.865 21.194 0.653 1.00 0.00 H new ATOM 0 HB2 PRO A 20 19.712 21.745 -1.706 1.00 0.00 H new ATOM 0 HB3 PRO A 20 20.448 23.062 -0.814 1.00 0.00 H new ATOM 0 HG2 PRO A 20 21.643 21.463 -3.139 1.00 0.00 H new ATOM 0 HG3 PRO A 20 21.633 23.202 -2.922 1.00 0.00 H new ATOM 0 HD2 PRO A 20 23.804 21.669 -2.190 1.00 0.00 H new ATOM 0 HD3 PRO A 20 23.403 23.154 -1.352 1.00 0.00 H new ATOM 352 N ASN A 21 21.624 18.681 -0.034 1.00 0.00 N ATOM 353 CA ASN A 21 21.461 17.271 -0.376 1.00 0.00 C ATOM 354 C ASN A 21 21.521 16.300 0.798 1.00 0.00 C ATOM 355 O ASN A 21 21.377 15.098 0.582 1.00 0.00 O ATOM 356 CB ASN A 21 22.410 16.868 -1.516 1.00 0.00 C ATOM 357 CG ASN A 21 21.628 16.206 -2.646 1.00 0.00 C ATOM 358 OD1 ASN A 21 21.827 15.038 -2.961 1.00 0.00 O ATOM 359 ND2 ASN A 21 20.717 16.959 -3.256 1.00 0.00 N ATOM 0 H ASN A 21 22.187 18.853 0.799 1.00 0.00 H new ATOM 0 HA ASN A 21 20.433 17.182 -0.727 1.00 0.00 H new ATOM 0 HB2 ASN A 21 22.932 17.748 -1.892 1.00 0.00 H new ATOM 0 HB3 ASN A 21 23.170 16.183 -1.141 1.00 0.00 H new ATOM 0 HD21 ASN A 21 20.156 16.568 -4.013 1.00 0.00 H new ATOM 0 HD22 ASN A 21 20.579 17.927 -2.967 1.00 0.00 H new ATOM 366 N GLN A 22 21.703 16.779 2.033 1.00 0.00 N ATOM 367 CA GLN A 22 21.720 15.929 3.212 1.00 0.00 C ATOM 368 C GLN A 22 21.368 16.730 4.432 1.00 0.00 C ATOM 369 O GLN A 22 21.524 17.947 4.425 1.00 0.00 O ATOM 370 CB GLN A 22 23.134 15.451 3.592 1.00 0.00 C ATOM 371 CG GLN A 22 24.120 15.251 2.434 1.00 0.00 C ATOM 372 CD GLN A 22 25.485 14.825 2.961 1.00 0.00 C ATOM 373 OE1 GLN A 22 26.378 15.649 3.130 1.00 0.00 O ATOM 374 NE2 GLN A 22 25.661 13.536 3.226 1.00 0.00 N ATOM 0 H GLN A 22 21.842 17.769 2.236 1.00 0.00 H new ATOM 0 HA GLN A 22 21.042 15.113 2.961 1.00 0.00 H new ATOM 0 HB2 GLN A 22 23.564 16.173 4.286 1.00 0.00 H new ATOM 0 HB3 GLN A 22 23.043 14.507 4.130 1.00 0.00 H new ATOM 0 HG2 GLN A 22 23.736 14.495 1.749 1.00 0.00 H new ATOM 0 HG3 GLN A 22 24.216 16.177 1.866 1.00 0.00 H new ATOM 0 HE21 GLN A 22 24.899 12.876 3.075 1.00 0.00 H new ATOM 0 HE22 GLN A 22 26.559 13.206 3.581 1.00 0.00 H new ATOM 383 N LEU A 23 21.002 16.009 5.489 1.00 0.00 N ATOM 384 CA LEU A 23 20.913 16.565 6.805 1.00 0.00 C ATOM 385 C LEU A 23 21.903 15.806 7.681 1.00 0.00 C ATOM 386 O LEU A 23 21.950 14.576 7.610 1.00 0.00 O ATOM 387 CB LEU A 23 19.519 16.384 7.425 1.00 0.00 C ATOM 388 CG LEU A 23 18.365 16.834 6.530 1.00 0.00 C ATOM 389 CD1 LEU A 23 17.805 15.684 5.691 1.00 0.00 C ATOM 390 CD2 LEU A 23 17.228 17.399 7.382 1.00 0.00 C ATOM 0 H LEU A 23 20.761 15.019 5.439 1.00 0.00 H new ATOM 0 HA LEU A 23 21.121 17.633 6.742 1.00 0.00 H new ATOM 0 HB2 LEU A 23 19.380 15.332 7.675 1.00 0.00 H new ATOM 0 HB3 LEU A 23 19.476 16.942 8.360 1.00 0.00 H new ATOM 0 HG LEU A 23 18.764 17.596 5.861 1.00 0.00 H new ATOM 0 HD11 LEU A 23 16.987 16.051 5.071 1.00 0.00 H new ATOM 0 HD12 LEU A 23 18.592 15.282 5.053 1.00 0.00 H new ATOM 0 HD13 LEU A 23 17.436 14.898 6.351 1.00 0.00 H new ATOM 0 HD21 LEU A 23 16.411 17.717 6.734 1.00 0.00 H new ATOM 0 HD22 LEU A 23 16.870 16.630 8.067 1.00 0.00 H new ATOM 0 HD23 LEU A 23 17.591 18.253 7.953 1.00 0.00 H new ATOM 402 N SER A 24 22.677 16.502 8.515 1.00 0.00 N ATOM 403 CA SER A 24 23.535 15.815 9.471 1.00 0.00 C ATOM 404 C SER A 24 22.635 15.418 10.645 1.00 0.00 C ATOM 405 O SER A 24 21.517 15.925 10.761 1.00 0.00 O ATOM 406 CB SER A 24 24.706 16.697 9.918 1.00 0.00 C ATOM 407 OG SER A 24 25.392 17.192 8.787 1.00 0.00 O ATOM 0 H SER A 24 22.726 17.520 8.546 1.00 0.00 H new ATOM 0 HA SER A 24 23.996 14.935 9.022 1.00 0.00 H new ATOM 0 HB2 SER A 24 24.338 17.526 10.523 1.00 0.00 H new ATOM 0 HB3 SER A 24 25.387 16.122 10.545 1.00 0.00 H new ATOM 0 HG SER A 24 24.879 17.926 8.389 1.00 0.00 H new ATOM 413 N LYS A 25 23.101 14.515 11.509 1.00 0.00 N ATOM 414 CA LYS A 25 22.358 14.017 12.666 1.00 0.00 C ATOM 415 C LYS A 25 21.507 15.088 13.374 1.00 0.00 C ATOM 416 O LYS A 25 20.334 14.859 13.658 1.00 0.00 O ATOM 417 CB LYS A 25 23.331 13.326 13.631 1.00 0.00 C ATOM 418 CG LYS A 25 22.585 12.505 14.691 1.00 0.00 C ATOM 419 CD LYS A 25 23.584 11.780 15.599 1.00 0.00 C ATOM 420 CE LYS A 25 22.836 10.957 16.652 1.00 0.00 C ATOM 421 NZ LYS A 25 23.767 10.173 17.481 1.00 0.00 N ATOM 0 H LYS A 25 24.029 14.100 11.421 1.00 0.00 H new ATOM 0 HA LYS A 25 21.630 13.294 12.299 1.00 0.00 H new ATOM 0 HB2 LYS A 25 24.000 12.674 13.069 1.00 0.00 H new ATOM 0 HB3 LYS A 25 23.953 14.075 14.121 1.00 0.00 H new ATOM 0 HG2 LYS A 25 21.949 13.159 15.287 1.00 0.00 H new ATOM 0 HG3 LYS A 25 21.931 11.780 14.206 1.00 0.00 H new ATOM 0 HD2 LYS A 25 24.223 11.128 15.003 1.00 0.00 H new ATOM 0 HD3 LYS A 25 24.236 12.504 16.088 1.00 0.00 H new ATOM 0 HE2 LYS A 25 22.251 11.622 17.288 1.00 0.00 H new ATOM 0 HE3 LYS A 25 22.132 10.286 16.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 23.230 9.627 18.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 24.307 9.522 16.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 24.423 10.816 17.969 1.00 0.00 H new ATOM 435 N GLU A 26 22.079 16.258 13.663 1.00 0.00 N ATOM 436 CA GLU A 26 21.379 17.341 14.346 1.00 0.00 C ATOM 437 C GLU A 26 20.179 17.826 13.519 1.00 0.00 C ATOM 438 O GLU A 26 19.035 17.810 13.973 1.00 0.00 O ATOM 439 CB GLU A 26 22.351 18.498 14.639 1.00 0.00 C ATOM 440 CG GLU A 26 23.464 18.139 15.640 1.00 0.00 C ATOM 441 CD GLU A 26 24.500 17.142 15.115 1.00 0.00 C ATOM 442 OE1 GLU A 26 24.691 17.101 13.878 1.00 0.00 O ATOM 443 OE2 GLU A 26 25.068 16.420 15.961 1.00 0.00 O ATOM 0 H GLU A 26 23.046 16.480 13.427 1.00 0.00 H new ATOM 0 HA GLU A 26 20.996 16.963 15.294 1.00 0.00 H new ATOM 0 HB2 GLU A 26 22.808 18.822 13.704 1.00 0.00 H new ATOM 0 HB3 GLU A 26 21.786 19.345 15.028 1.00 0.00 H new ATOM 0 HG2 GLU A 26 23.978 19.054 15.935 1.00 0.00 H new ATOM 0 HG3 GLU A 26 23.006 17.727 16.539 1.00 0.00 H new ATOM 450 N GLU A 27 20.443 18.257 12.286 1.00 0.00 N ATOM 451 CA GLU A 27 19.423 18.762 11.383 1.00 0.00 C ATOM 452 C GLU A 27 18.358 17.694 11.129 1.00 0.00 C ATOM 453 O GLU A 27 17.175 18.015 11.028 1.00 0.00 O ATOM 454 CB GLU A 27 20.065 19.269 10.083 1.00 0.00 C ATOM 455 CG GLU A 27 20.846 20.578 10.291 1.00 0.00 C ATOM 456 CD GLU A 27 22.129 20.429 11.109 1.00 0.00 C ATOM 457 OE1 GLU A 27 22.683 19.307 11.117 1.00 0.00 O ATOM 458 OE2 GLU A 27 22.522 21.438 11.730 1.00 0.00 O ATOM 0 H GLU A 27 21.382 18.263 11.887 1.00 0.00 H new ATOM 0 HA GLU A 27 18.920 19.611 11.847 1.00 0.00 H new ATOM 0 HB2 GLU A 27 20.737 18.506 9.690 1.00 0.00 H new ATOM 0 HB3 GLU A 27 19.289 19.426 9.334 1.00 0.00 H new ATOM 0 HG2 GLU A 27 21.098 20.994 9.316 1.00 0.00 H new ATOM 0 HG3 GLU A 27 20.196 21.299 10.787 1.00 0.00 H new ATOM 465 N LEU A 28 18.758 16.422 11.034 1.00 0.00 N ATOM 466 CA LEU A 28 17.799 15.351 10.830 1.00 0.00 C ATOM 467 C LEU A 28 16.928 15.255 12.070 1.00 0.00 C ATOM 468 O LEU A 28 15.712 15.289 11.952 1.00 0.00 O ATOM 469 CB LEU A 28 18.492 14.041 10.424 1.00 0.00 C ATOM 470 CG LEU A 28 18.595 12.915 11.466 1.00 0.00 C ATOM 471 CD1 LEU A 28 17.271 12.214 11.806 1.00 0.00 C ATOM 472 CD2 LEU A 28 19.476 11.833 10.865 1.00 0.00 C ATOM 0 H LEU A 28 19.730 16.119 11.095 1.00 0.00 H new ATOM 0 HA LEU A 28 17.144 15.568 9.986 1.00 0.00 H new ATOM 0 HB2 LEU A 28 17.967 13.643 9.556 1.00 0.00 H new ATOM 0 HB3 LEU A 28 19.503 14.287 10.100 1.00 0.00 H new ATOM 0 HG LEU A 28 18.968 13.382 12.378 1.00 0.00 H new ATOM 0 HD11 LEU A 28 17.451 11.437 12.549 1.00 0.00 H new ATOM 0 HD12 LEU A 28 16.566 12.943 12.206 1.00 0.00 H new ATOM 0 HD13 LEU A 28 16.855 11.764 10.904 1.00 0.00 H new ATOM 0 HD21 LEU A 28 19.577 11.011 11.573 1.00 0.00 H new ATOM 0 HD22 LEU A 28 19.023 11.465 9.944 1.00 0.00 H new ATOM 0 HD23 LEU A 28 20.461 12.246 10.646 1.00 0.00 H new ATOM 484 N LYS A 29 17.535 15.148 13.257 1.00 0.00 N ATOM 485 CA LYS A 29 16.813 15.077 14.526 1.00 0.00 C ATOM 486 C LYS A 29 15.744 16.170 14.541 1.00 0.00 C ATOM 487 O LYS A 29 14.572 15.903 14.820 1.00 0.00 O ATOM 488 CB LYS A 29 17.817 15.201 15.688 1.00 0.00 C ATOM 489 CG LYS A 29 17.245 15.719 17.018 1.00 0.00 C ATOM 490 CD LYS A 29 16.224 14.751 17.625 1.00 0.00 C ATOM 491 CE LYS A 29 15.888 15.124 19.074 1.00 0.00 C ATOM 492 NZ LYS A 29 15.441 16.523 19.200 1.00 0.00 N ATOM 0 H LYS A 29 18.549 15.108 13.362 1.00 0.00 H new ATOM 0 HA LYS A 29 16.306 14.119 14.644 1.00 0.00 H new ATOM 0 HB2 LYS A 29 18.263 14.222 15.863 1.00 0.00 H new ATOM 0 HB3 LYS A 29 18.622 15.867 15.377 1.00 0.00 H new ATOM 0 HG2 LYS A 29 18.059 15.876 17.725 1.00 0.00 H new ATOM 0 HG3 LYS A 29 16.773 16.688 16.856 1.00 0.00 H new ATOM 0 HD2 LYS A 29 15.313 14.758 17.026 1.00 0.00 H new ATOM 0 HD3 LYS A 29 16.619 13.736 17.592 1.00 0.00 H new ATOM 0 HE2 LYS A 29 15.108 14.460 19.447 1.00 0.00 H new ATOM 0 HE3 LYS A 29 16.766 14.967 19.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 14.944 16.648 20.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 16.266 17.155 19.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 14.797 16.754 18.416 1.00 0.00 H new ATOM 506 N GLN A 30 16.168 17.396 14.222 1.00 0.00 N ATOM 507 CA GLN A 30 15.270 18.532 14.149 1.00 0.00 C ATOM 508 C GLN A 30 14.128 18.212 13.171 1.00 0.00 C ATOM 509 O GLN A 30 12.965 18.263 13.565 1.00 0.00 O ATOM 510 CB GLN A 30 16.045 19.797 13.755 1.00 0.00 C ATOM 511 CG GLN A 30 17.033 20.231 14.848 1.00 0.00 C ATOM 512 CD GLN A 30 18.114 21.157 14.298 1.00 0.00 C ATOM 513 OE1 GLN A 30 19.304 20.902 14.449 1.00 0.00 O ATOM 514 NE2 GLN A 30 17.714 22.247 13.648 1.00 0.00 N ATOM 0 H GLN A 30 17.140 17.620 14.010 1.00 0.00 H new ATOM 0 HA GLN A 30 14.828 18.726 15.126 1.00 0.00 H new ATOM 0 HB2 GLN A 30 16.588 19.615 12.827 1.00 0.00 H new ATOM 0 HB3 GLN A 30 15.342 20.607 13.560 1.00 0.00 H new ATOM 0 HG2 GLN A 30 16.492 20.738 15.647 1.00 0.00 H new ATOM 0 HG3 GLN A 30 17.499 19.349 15.288 1.00 0.00 H new ATOM 0 HE21 GLN A 30 16.718 22.437 13.536 1.00 0.00 H new ATOM 0 HE22 GLN A 30 18.403 22.892 13.262 1.00 0.00 H new ATOM 523 N LEU A 31 14.441 17.876 11.910 1.00 0.00 N ATOM 524 CA LEU A 31 13.434 17.526 10.908 1.00 0.00 C ATOM 525 C LEU A 31 12.407 16.519 11.418 1.00 0.00 C ATOM 526 O LEU A 31 11.197 16.731 11.344 1.00 0.00 O ATOM 527 CB LEU A 31 14.103 17.023 9.615 1.00 0.00 C ATOM 528 CG LEU A 31 13.092 16.695 8.501 1.00 0.00 C ATOM 529 CD1 LEU A 31 12.256 17.912 8.087 1.00 0.00 C ATOM 530 CD2 LEU A 31 13.817 16.158 7.263 1.00 0.00 C ATOM 0 H LEU A 31 15.399 17.841 11.561 1.00 0.00 H new ATOM 0 HA LEU A 31 12.884 18.441 10.688 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.799 17.780 9.255 1.00 0.00 H new ATOM 0 HB3 LEU A 31 14.690 16.132 9.839 1.00 0.00 H new ATOM 0 HG LEU A 31 12.420 15.940 8.909 1.00 0.00 H new ATOM 0 HD11 LEU A 31 11.560 17.624 7.299 1.00 0.00 H new ATOM 0 HD12 LEU A 31 11.698 18.280 8.948 1.00 0.00 H new ATOM 0 HD13 LEU A 31 12.915 18.698 7.719 1.00 0.00 H new ATOM 0 HD21 LEU A 31 13.088 15.931 6.485 1.00 0.00 H new ATOM 0 HD22 LEU A 31 14.517 16.909 6.897 1.00 0.00 H new ATOM 0 HD23 LEU A 31 14.362 15.251 7.525 1.00 0.00 H new ATOM 542 N ILE A 32 12.926 15.414 11.934 1.00 0.00 N ATOM 543 CA ILE A 32 12.155 14.299 12.463 1.00 0.00 C ATOM 544 C ILE A 32 11.120 14.833 13.436 1.00 0.00 C ATOM 545 O ILE A 32 9.917 14.714 13.224 1.00 0.00 O ATOM 546 CB ILE A 32 13.068 13.186 13.035 1.00 0.00 C ATOM 547 CG1 ILE A 32 13.963 12.553 11.957 1.00 0.00 C ATOM 548 CG2 ILE A 32 12.321 12.034 13.724 1.00 0.00 C ATOM 549 CD1 ILE A 32 13.246 11.773 10.854 1.00 0.00 C ATOM 0 H ILE A 32 13.933 15.264 11.998 1.00 0.00 H new ATOM 0 HA ILE A 32 11.612 13.802 11.659 1.00 0.00 H new ATOM 0 HB ILE A 32 13.660 13.717 13.781 1.00 0.00 H new ATOM 0 HG12 ILE A 32 14.549 13.345 11.491 1.00 0.00 H new ATOM 0 HG13 ILE A 32 14.668 11.882 12.448 1.00 0.00 H new ATOM 0 HG21 ILE A 32 13.040 11.303 14.093 1.00 0.00 H new ATOM 0 HG22 ILE A 32 11.740 12.425 14.559 1.00 0.00 H new ATOM 0 HG23 ILE A 32 11.651 11.555 13.009 1.00 0.00 H new ATOM 0 HD11 ILE A 32 13.980 11.374 10.154 1.00 0.00 H new ATOM 0 HD12 ILE A 32 12.683 10.951 11.297 1.00 0.00 H new ATOM 0 HD13 ILE A 32 12.563 12.437 10.324 1.00 0.00 H new ATOM 561 N GLN A 33 11.609 15.447 14.497 1.00 0.00 N ATOM 562 CA GLN A 33 10.745 16.003 15.529 1.00 0.00 C ATOM 563 C GLN A 33 9.810 17.089 14.982 1.00 0.00 C ATOM 564 O GLN A 33 8.687 17.211 15.462 1.00 0.00 O ATOM 565 CB GLN A 33 11.560 16.482 16.737 1.00 0.00 C ATOM 566 CG GLN A 33 12.294 15.337 17.455 1.00 0.00 C ATOM 567 CD GLN A 33 11.342 14.281 18.012 1.00 0.00 C ATOM 568 OE1 GLN A 33 10.994 13.295 17.192 1.00 0.00 O flip ATOM 569 NE2 GLN A 33 10.928 14.353 19.162 1.00 0.00 N flip ATOM 0 H GLN A 33 12.606 15.575 14.670 1.00 0.00 H new ATOM 0 HA GLN A 33 10.097 15.199 15.879 1.00 0.00 H new ATOM 0 HB2 GLN A 33 12.288 17.223 16.407 1.00 0.00 H new ATOM 0 HB3 GLN A 33 10.895 16.980 17.443 1.00 0.00 H new ATOM 0 HG2 GLN A 33 12.988 14.864 16.760 1.00 0.00 H new ATOM 0 HG3 GLN A 33 12.890 15.748 18.270 1.00 0.00 H new ATOM 0 HE21 GLN A 33 11.218 15.126 19.761 1.00 0.00 H new ATOM 0 HE22 GLN A 33 10.293 13.640 19.521 1.00 0.00 H new ATOM 578 N ALA A 34 10.247 17.873 13.992 1.00 0.00 N ATOM 579 CA ALA A 34 9.409 18.903 13.394 1.00 0.00 C ATOM 580 C ALA A 34 8.192 18.284 12.694 1.00 0.00 C ATOM 581 O ALA A 34 7.098 18.840 12.774 1.00 0.00 O ATOM 582 CB ALA A 34 10.229 19.770 12.434 1.00 0.00 C ATOM 0 H ALA A 34 11.182 17.809 13.590 1.00 0.00 H new ATOM 0 HA ALA A 34 9.033 19.547 14.189 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.587 20.535 11.996 1.00 0.00 H new ATOM 0 HB2 ALA A 34 11.042 20.248 12.980 1.00 0.00 H new ATOM 0 HB3 ALA A 34 10.642 19.145 11.642 1.00 0.00 H new ATOM 588 N GLU A 35 8.376 17.150 12.007 1.00 0.00 N ATOM 589 CA GLU A 35 7.282 16.461 11.326 1.00 0.00 C ATOM 590 C GLU A 35 6.514 15.567 12.324 1.00 0.00 C ATOM 591 O GLU A 35 6.421 15.867 13.514 1.00 0.00 O ATOM 592 CB GLU A 35 7.831 15.681 10.115 1.00 0.00 C ATOM 593 CG GLU A 35 8.540 16.568 9.086 1.00 0.00 C ATOM 594 CD GLU A 35 8.896 15.755 7.843 1.00 0.00 C ATOM 595 OE1 GLU A 35 7.976 15.539 7.025 1.00 0.00 O ATOM 596 OE2 GLU A 35 10.069 15.334 7.747 1.00 0.00 O ATOM 0 H GLU A 35 9.281 16.690 11.910 1.00 0.00 H new ATOM 0 HA GLU A 35 6.565 17.185 10.940 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.527 14.920 10.468 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.009 15.158 9.627 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.896 17.403 8.811 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.444 16.993 9.523 1.00 0.00 H new ATOM 603 N PHE A 36 5.974 14.436 11.846 1.00 0.00 N ATOM 604 CA PHE A 36 5.194 13.470 12.630 1.00 0.00 C ATOM 605 C PHE A 36 5.871 12.681 13.765 1.00 0.00 C ATOM 606 O PHE A 36 5.263 12.471 14.812 1.00 0.00 O ATOM 607 CB PHE A 36 4.294 12.597 11.733 1.00 0.00 C ATOM 608 CG PHE A 36 4.189 13.079 10.295 1.00 0.00 C ATOM 609 CD1 PHE A 36 3.439 14.236 10.011 1.00 0.00 C ATOM 610 CD2 PHE A 36 5.101 12.589 9.338 1.00 0.00 C ATOM 611 CE1 PHE A 36 3.637 14.925 8.801 1.00 0.00 C ATOM 612 CE2 PHE A 36 5.288 13.274 8.126 1.00 0.00 C ATOM 613 CZ PHE A 36 4.551 14.438 7.853 1.00 0.00 C ATOM 0 H PHE A 36 6.072 14.160 10.869 1.00 0.00 H new ATOM 0 HA PHE A 36 4.579 14.139 13.231 1.00 0.00 H new ATOM 0 HB2 PHE A 36 4.679 11.577 11.735 1.00 0.00 H new ATOM 0 HB3 PHE A 36 3.294 12.561 12.166 1.00 0.00 H new ATOM 0 HD1 PHE A 36 2.711 14.595 10.723 1.00 0.00 H new ATOM 0 HD2 PHE A 36 5.657 11.685 9.537 1.00 0.00 H new ATOM 0 HE1 PHE A 36 3.085 15.831 8.601 1.00 0.00 H new ATOM 0 HE2 PHE A 36 6.000 12.905 7.403 1.00 0.00 H new ATOM 0 HZ PHE A 36 4.687 14.957 6.916 1.00 0.00 H new ATOM 753 N THR A 45 12.787 3.518 15.223 1.00 0.00 N ATOM 754 CA THR A 45 13.347 4.457 16.157 1.00 0.00 C ATOM 755 C THR A 45 14.025 5.619 15.449 1.00 0.00 C ATOM 756 O THR A 45 14.515 5.489 14.336 1.00 0.00 O ATOM 757 CB THR A 45 14.173 3.731 17.241 1.00 0.00 C ATOM 758 OG1 THR A 45 13.276 3.150 18.162 1.00 0.00 O ATOM 759 CG2 THR A 45 15.143 4.628 18.015 1.00 0.00 C ATOM 0 HA THR A 45 12.547 4.942 16.716 1.00 0.00 H new ATOM 0 HB THR A 45 14.786 2.996 16.720 1.00 0.00 H new ATOM 0 HG1 THR A 45 13.781 2.682 18.859 1.00 0.00 H new ATOM 0 HG21 THR A 45 15.679 4.032 18.754 1.00 0.00 H new ATOM 0 HG22 THR A 45 15.856 5.075 17.323 1.00 0.00 H new ATOM 0 HG23 THR A 45 14.585 5.416 18.520 1.00 0.00 H new ATOM 767 N LEU A 46 14.057 6.765 16.114 1.00 0.00 N ATOM 768 CA LEU A 46 14.727 7.962 15.609 1.00 0.00 C ATOM 769 C LEU A 46 16.178 7.574 15.313 1.00 0.00 C ATOM 770 O LEU A 46 16.692 7.773 14.215 1.00 0.00 O ATOM 771 CB LEU A 46 14.594 9.103 16.628 1.00 0.00 C ATOM 772 CG LEU A 46 15.128 10.450 16.104 1.00 0.00 C ATOM 773 CD1 LEU A 46 14.355 11.599 16.762 1.00 0.00 C ATOM 774 CD2 LEU A 46 16.625 10.646 16.384 1.00 0.00 C ATOM 0 H LEU A 46 13.617 6.895 17.025 1.00 0.00 H new ATOM 0 HA LEU A 46 14.273 8.333 14.690 1.00 0.00 H new ATOM 0 HB2 LEU A 46 13.545 9.217 16.901 1.00 0.00 H new ATOM 0 HB3 LEU A 46 15.133 8.835 17.537 1.00 0.00 H new ATOM 0 HG LEU A 46 14.987 10.447 15.023 1.00 0.00 H new ATOM 0 HD11 LEU A 46 14.733 12.552 16.391 1.00 0.00 H new ATOM 0 HD12 LEU A 46 13.296 11.510 16.520 1.00 0.00 H new ATOM 0 HD13 LEU A 46 14.486 11.553 17.843 1.00 0.00 H new ATOM 0 HD21 LEU A 46 16.945 11.612 15.993 1.00 0.00 H new ATOM 0 HD22 LEU A 46 16.801 10.614 17.459 1.00 0.00 H new ATOM 0 HD23 LEU A 46 17.193 9.852 15.899 1.00 0.00 H new ATOM 786 N ASP A 47 16.831 6.980 16.315 1.00 0.00 N ATOM 787 CA ASP A 47 18.189 6.479 16.192 1.00 0.00 C ATOM 788 C ASP A 47 18.311 5.383 15.122 1.00 0.00 C ATOM 789 O ASP A 47 19.303 5.308 14.400 1.00 0.00 O ATOM 790 CB ASP A 47 18.730 6.008 17.546 1.00 0.00 C ATOM 791 CG ASP A 47 20.197 5.608 17.430 1.00 0.00 C ATOM 792 OD1 ASP A 47 21.034 6.537 17.386 1.00 0.00 O ATOM 793 OD2 ASP A 47 20.451 4.386 17.380 1.00 0.00 O ATOM 0 H ASP A 47 16.423 6.835 17.239 1.00 0.00 H new ATOM 0 HA ASP A 47 18.808 7.311 15.857 1.00 0.00 H new ATOM 0 HB2 ASP A 47 18.622 6.804 18.283 1.00 0.00 H new ATOM 0 HB3 ASP A 47 18.144 5.161 17.903 1.00 0.00 H new ATOM 798 N ASP A 48 17.286 4.539 15.027 1.00 0.00 N ATOM 799 CA ASP A 48 17.194 3.427 14.099 1.00 0.00 C ATOM 800 C ASP A 48 17.203 3.954 12.663 1.00 0.00 C ATOM 801 O ASP A 48 18.116 3.649 11.899 1.00 0.00 O ATOM 802 CB ASP A 48 15.936 2.617 14.465 1.00 0.00 C ATOM 803 CG ASP A 48 15.502 1.638 13.381 1.00 0.00 C ATOM 804 OD1 ASP A 48 16.392 1.101 12.689 1.00 0.00 O ATOM 805 OD2 ASP A 48 14.274 1.431 13.289 1.00 0.00 O ATOM 0 H ASP A 48 16.463 4.620 15.624 1.00 0.00 H new ATOM 0 HA ASP A 48 18.051 2.757 14.170 1.00 0.00 H new ATOM 0 HB2 ASP A 48 16.125 2.066 15.386 1.00 0.00 H new ATOM 0 HB3 ASP A 48 15.117 3.307 14.669 1.00 0.00 H new ATOM 810 N LEU A 49 16.204 4.758 12.294 1.00 0.00 N ATOM 811 CA LEU A 49 16.120 5.345 10.968 1.00 0.00 C ATOM 812 C LEU A 49 17.374 6.179 10.706 1.00 0.00 C ATOM 813 O LEU A 49 17.963 6.072 9.634 1.00 0.00 O ATOM 814 CB LEU A 49 14.784 6.076 10.748 1.00 0.00 C ATOM 815 CG LEU A 49 14.520 7.305 11.633 1.00 0.00 C ATOM 816 CD1 LEU A 49 14.979 8.612 10.980 1.00 0.00 C ATOM 817 CD2 LEU A 49 13.023 7.415 11.948 1.00 0.00 C ATOM 0 H LEU A 49 15.434 5.017 12.911 1.00 0.00 H new ATOM 0 HA LEU A 49 16.107 4.563 10.209 1.00 0.00 H new ATOM 0 HB2 LEU A 49 14.735 6.390 9.705 1.00 0.00 H new ATOM 0 HB3 LEU A 49 13.975 5.363 10.905 1.00 0.00 H new ATOM 0 HG LEU A 49 15.098 7.161 12.546 1.00 0.00 H new ATOM 0 HD11 LEU A 49 14.768 9.446 11.649 1.00 0.00 H new ATOM 0 HD12 LEU A 49 16.050 8.565 10.785 1.00 0.00 H new ATOM 0 HD13 LEU A 49 14.445 8.756 10.041 1.00 0.00 H new ATOM 0 HD21 LEU A 49 12.846 8.289 12.575 1.00 0.00 H new ATOM 0 HD22 LEU A 49 12.462 7.516 11.019 1.00 0.00 H new ATOM 0 HD23 LEU A 49 12.695 6.518 12.474 1.00 0.00 H new ATOM 829 N PHE A 50 17.805 6.983 11.690 1.00 0.00 N ATOM 830 CA PHE A 50 19.030 7.766 11.579 1.00 0.00 C ATOM 831 C PHE A 50 20.148 6.864 11.062 1.00 0.00 C ATOM 832 O PHE A 50 20.753 7.145 10.028 1.00 0.00 O ATOM 833 CB PHE A 50 19.421 8.345 12.953 1.00 0.00 C ATOM 834 CG PHE A 50 20.896 8.680 13.139 1.00 0.00 C ATOM 835 CD1 PHE A 50 21.618 9.317 12.111 1.00 0.00 C ATOM 836 CD2 PHE A 50 21.597 8.138 14.235 1.00 0.00 C ATOM 837 CE1 PHE A 50 23.014 9.415 12.179 1.00 0.00 C ATOM 838 CE2 PHE A 50 22.999 8.220 14.294 1.00 0.00 C ATOM 839 CZ PHE A 50 23.709 8.857 13.263 1.00 0.00 C ATOM 0 H PHE A 50 17.314 7.103 12.576 1.00 0.00 H new ATOM 0 HA PHE A 50 18.870 8.593 10.887 1.00 0.00 H new ATOM 0 HB2 PHE A 50 18.838 9.250 13.123 1.00 0.00 H new ATOM 0 HB3 PHE A 50 19.131 7.630 13.723 1.00 0.00 H new ATOM 0 HD1 PHE A 50 21.092 9.733 11.264 1.00 0.00 H new ATOM 0 HD2 PHE A 50 21.054 7.657 15.035 1.00 0.00 H new ATOM 0 HE1 PHE A 50 23.557 9.922 11.395 1.00 0.00 H new ATOM 0 HE2 PHE A 50 23.530 7.793 15.132 1.00 0.00 H new ATOM 0 HZ PHE A 50 24.787 8.917 13.304 1.00 0.00 H new ATOM 849 N GLN A 51 20.425 5.783 11.791 1.00 0.00 N ATOM 850 CA GLN A 51 21.506 4.893 11.436 1.00 0.00 C ATOM 851 C GLN A 51 21.274 4.169 10.114 1.00 0.00 C ATOM 852 O GLN A 51 22.209 4.082 9.318 1.00 0.00 O ATOM 853 CB GLN A 51 21.802 3.946 12.608 1.00 0.00 C ATOM 854 CG GLN A 51 23.141 3.203 12.473 1.00 0.00 C ATOM 855 CD GLN A 51 23.019 1.823 11.826 1.00 0.00 C ATOM 856 OE1 GLN A 51 22.906 0.820 12.521 1.00 0.00 O ATOM 857 NE2 GLN A 51 23.042 1.745 10.500 1.00 0.00 N ATOM 0 H GLN A 51 19.910 5.511 12.629 1.00 0.00 H new ATOM 0 HA GLN A 51 22.399 5.492 11.257 1.00 0.00 H new ATOM 0 HB2 GLN A 51 21.805 4.519 13.535 1.00 0.00 H new ATOM 0 HB3 GLN A 51 20.997 3.216 12.687 1.00 0.00 H new ATOM 0 HG2 GLN A 51 23.826 3.812 11.882 1.00 0.00 H new ATOM 0 HG3 GLN A 51 23.586 3.092 13.462 1.00 0.00 H new ATOM 0 HE21 GLN A 51 23.137 2.593 9.941 1.00 0.00 H new ATOM 0 HE22 GLN A 51 22.965 0.837 10.041 1.00 0.00 H new ATOM 866 N GLU A 52 20.070 3.640 9.863 1.00 0.00 N ATOM 867 CA GLU A 52 19.807 2.932 8.613 1.00 0.00 C ATOM 868 C GLU A 52 20.105 3.853 7.425 1.00 0.00 C ATOM 869 O GLU A 52 20.626 3.414 6.404 1.00 0.00 O ATOM 870 CB GLU A 52 18.401 2.296 8.586 1.00 0.00 C ATOM 871 CG GLU A 52 17.306 3.145 7.917 1.00 0.00 C ATOM 872 CD GLU A 52 15.906 2.545 8.061 1.00 0.00 C ATOM 873 OE1 GLU A 52 15.820 1.301 8.142 1.00 0.00 O ATOM 874 OE2 GLU A 52 14.943 3.344 8.078 1.00 0.00 O ATOM 0 H GLU A 52 19.276 3.689 10.501 1.00 0.00 H new ATOM 0 HA GLU A 52 20.484 2.082 8.533 1.00 0.00 H new ATOM 0 HB2 GLU A 52 18.463 1.339 8.067 1.00 0.00 H new ATOM 0 HB3 GLU A 52 18.097 2.084 9.611 1.00 0.00 H new ATOM 0 HG2 GLU A 52 17.313 4.144 8.353 1.00 0.00 H new ATOM 0 HG3 GLU A 52 17.539 3.258 6.858 1.00 0.00 H new ATOM 881 N LEU A 53 19.775 5.139 7.576 1.00 0.00 N ATOM 882 CA LEU A 53 20.024 6.146 6.564 1.00 0.00 C ATOM 883 C LEU A 53 21.523 6.456 6.471 1.00 0.00 C ATOM 884 O LEU A 53 22.087 6.417 5.382 1.00 0.00 O ATOM 885 CB LEU A 53 19.218 7.401 6.893 1.00 0.00 C ATOM 886 CG LEU A 53 17.699 7.184 6.788 1.00 0.00 C ATOM 887 CD1 LEU A 53 16.919 8.243 7.575 1.00 0.00 C ATOM 888 CD2 LEU A 53 17.266 7.241 5.327 1.00 0.00 C ATOM 0 H LEU A 53 19.324 5.504 8.415 1.00 0.00 H new ATOM 0 HA LEU A 53 19.707 5.771 5.591 1.00 0.00 H new ATOM 0 HB2 LEU A 53 19.464 7.730 7.903 1.00 0.00 H new ATOM 0 HB3 LEU A 53 19.513 8.203 6.216 1.00 0.00 H new ATOM 0 HG LEU A 53 17.479 6.204 7.212 1.00 0.00 H new ATOM 0 HD11 LEU A 53 15.850 8.056 7.476 1.00 0.00 H new ATOM 0 HD12 LEU A 53 17.200 8.195 8.627 1.00 0.00 H new ATOM 0 HD13 LEU A 53 17.152 9.233 7.182 1.00 0.00 H new ATOM 0 HD21 LEU A 53 16.189 7.086 5.260 1.00 0.00 H new ATOM 0 HD22 LEU A 53 17.519 8.216 4.910 1.00 0.00 H new ATOM 0 HD23 LEU A 53 17.780 6.461 4.765 1.00 0.00 H new ATOM 900 N ASP A 54 22.163 6.761 7.604 1.00 0.00 N ATOM 901 CA ASP A 54 23.586 7.080 7.749 1.00 0.00 C ATOM 902 C ASP A 54 24.427 5.822 7.521 1.00 0.00 C ATOM 903 O ASP A 54 25.095 5.335 8.430 1.00 0.00 O ATOM 904 CB ASP A 54 23.773 7.643 9.167 1.00 0.00 C ATOM 905 CG ASP A 54 25.199 8.047 9.517 1.00 0.00 C ATOM 906 OD1 ASP A 54 25.890 8.622 8.648 1.00 0.00 O ATOM 907 OD2 ASP A 54 25.569 7.836 10.690 1.00 0.00 O ATOM 0 H ASP A 54 21.672 6.794 8.497 1.00 0.00 H new ATOM 0 HA ASP A 54 23.913 7.815 7.013 1.00 0.00 H new ATOM 0 HB2 ASP A 54 23.126 8.512 9.285 1.00 0.00 H new ATOM 0 HB3 ASP A 54 23.436 6.896 9.886 1.00 0.00 H new ATOM 974 N GLU A 60 25.456 11.394 8.835 1.00 0.00 N ATOM 975 CA GLU A 60 24.916 11.967 7.614 1.00 0.00 C ATOM 976 C GLU A 60 23.617 11.292 7.216 1.00 0.00 C ATOM 977 O GLU A 60 23.532 10.078 7.328 1.00 0.00 O ATOM 978 CB GLU A 60 25.884 11.594 6.487 1.00 0.00 C ATOM 979 CG GLU A 60 27.261 12.240 6.685 1.00 0.00 C ATOM 980 CD GLU A 60 28.203 11.912 5.535 1.00 0.00 C ATOM 981 OE1 GLU A 60 27.902 12.369 4.410 1.00 0.00 O ATOM 982 OE2 GLU A 60 29.199 11.203 5.795 1.00 0.00 O ATOM 0 HA GLU A 60 24.771 13.036 7.770 1.00 0.00 H new ATOM 0 HB2 GLU A 60 25.993 10.510 6.445 1.00 0.00 H new ATOM 0 HB3 GLU A 60 25.468 11.910 5.530 1.00 0.00 H new ATOM 0 HG2 GLU A 60 27.148 13.321 6.767 1.00 0.00 H new ATOM 0 HG3 GLU A 60 27.695 11.893 7.623 1.00 0.00 H new ATOM 989 N VAL A 61 22.631 12.035 6.722 1.00 0.00 N ATOM 990 CA VAL A 61 21.405 11.461 6.195 1.00 0.00 C ATOM 991 C VAL A 61 21.088 12.224 4.905 1.00 0.00 C ATOM 992 O VAL A 61 20.421 13.259 4.897 1.00 0.00 O ATOM 993 CB VAL A 61 20.338 11.391 7.304 1.00 0.00 C ATOM 994 CG1 VAL A 61 18.949 11.052 6.773 1.00 0.00 C ATOM 995 CG2 VAL A 61 20.756 10.285 8.292 1.00 0.00 C ATOM 0 H VAL A 61 22.663 13.054 6.677 1.00 0.00 H new ATOM 0 HA VAL A 61 21.474 10.414 5.898 1.00 0.00 H new ATOM 0 HB VAL A 61 20.280 12.373 7.773 1.00 0.00 H new ATOM 0 HG11 VAL A 61 18.241 11.017 7.601 1.00 0.00 H new ATOM 0 HG12 VAL A 61 18.636 11.815 6.060 1.00 0.00 H new ATOM 0 HG13 VAL A 61 18.976 10.081 6.278 1.00 0.00 H new ATOM 0 HG21 VAL A 61 20.017 10.212 9.090 1.00 0.00 H new ATOM 0 HG22 VAL A 61 20.818 9.332 7.767 1.00 0.00 H new ATOM 0 HG23 VAL A 61 21.729 10.527 8.719 1.00 0.00 H new ATOM 1005 N SER A 62 21.640 11.692 3.809 1.00 0.00 N ATOM 1006 CA SER A 62 21.585 12.195 2.447 1.00 0.00 C ATOM 1007 C SER A 62 20.235 11.947 1.772 1.00 0.00 C ATOM 1008 O SER A 62 19.499 11.044 2.161 1.00 0.00 O ATOM 1009 CB SER A 62 22.696 11.502 1.663 1.00 0.00 C ATOM 1010 OG SER A 62 23.912 11.537 2.385 1.00 0.00 O ATOM 0 H SER A 62 22.179 10.828 3.865 1.00 0.00 H new ATOM 0 HA SER A 62 21.716 13.277 2.467 1.00 0.00 H new ATOM 0 HB2 SER A 62 22.416 10.468 1.462 1.00 0.00 H new ATOM 0 HB3 SER A 62 22.826 11.991 0.697 1.00 0.00 H new ATOM 0 HG SER A 62 24.613 11.087 1.868 1.00 0.00 H new ATOM 1016 N PHE A 63 19.911 12.738 0.745 1.00 0.00 N ATOM 1017 CA PHE A 63 18.659 12.638 0.003 1.00 0.00 C ATOM 1018 C PHE A 63 18.386 11.225 -0.522 1.00 0.00 C ATOM 1019 O PHE A 63 17.311 10.671 -0.299 1.00 0.00 O ATOM 1020 CB PHE A 63 18.629 13.652 -1.147 1.00 0.00 C ATOM 1021 CG PHE A 63 17.295 13.662 -1.870 1.00 0.00 C ATOM 1022 CD1 PHE A 63 16.165 14.213 -1.236 1.00 0.00 C ATOM 1023 CD2 PHE A 63 17.141 12.963 -3.083 1.00 0.00 C ATOM 1024 CE1 PHE A 63 14.893 14.084 -1.819 1.00 0.00 C ATOM 1025 CE2 PHE A 63 15.867 12.823 -3.659 1.00 0.00 C ATOM 1026 CZ PHE A 63 14.743 13.386 -3.029 1.00 0.00 C ATOM 0 H PHE A 63 20.525 13.477 0.403 1.00 0.00 H new ATOM 0 HA PHE A 63 17.861 12.871 0.708 1.00 0.00 H new ATOM 0 HB2 PHE A 63 18.835 14.648 -0.756 1.00 0.00 H new ATOM 0 HB3 PHE A 63 19.423 13.417 -1.856 1.00 0.00 H new ATOM 0 HD1 PHE A 63 16.276 14.737 -0.298 1.00 0.00 H new ATOM 0 HD2 PHE A 63 18.004 12.534 -3.571 1.00 0.00 H new ATOM 0 HE1 PHE A 63 14.031 14.521 -1.337 1.00 0.00 H new ATOM 0 HE2 PHE A 63 15.751 12.282 -4.587 1.00 0.00 H new ATOM 0 HZ PHE A 63 13.765 13.282 -3.475 1.00 0.00 H new ATOM 1036 N GLU A 64 19.349 10.623 -1.225 1.00 0.00 N ATOM 1037 CA GLU A 64 19.169 9.294 -1.785 1.00 0.00 C ATOM 1038 C GLU A 64 18.816 8.270 -0.700 1.00 0.00 C ATOM 1039 O GLU A 64 18.058 7.335 -0.958 1.00 0.00 O ATOM 1040 CB GLU A 64 20.368 8.893 -2.662 1.00 0.00 C ATOM 1041 CG GLU A 64 21.693 8.621 -1.930 1.00 0.00 C ATOM 1042 CD GLU A 64 22.422 9.847 -1.384 1.00 0.00 C ATOM 1043 OE1 GLU A 64 21.992 10.981 -1.691 1.00 0.00 O ATOM 1044 OE2 GLU A 64 23.404 9.623 -0.644 1.00 0.00 O ATOM 0 H GLU A 64 20.260 11.041 -1.416 1.00 0.00 H new ATOM 0 HA GLU A 64 18.309 9.312 -2.454 1.00 0.00 H new ATOM 0 HB2 GLU A 64 20.097 7.998 -3.221 1.00 0.00 H new ATOM 0 HB3 GLU A 64 20.537 9.685 -3.391 1.00 0.00 H new ATOM 0 HG2 GLU A 64 21.494 7.942 -1.101 1.00 0.00 H new ATOM 0 HG3 GLU A 64 22.363 8.100 -2.614 1.00 0.00 H new ATOM 1051 N GLU A 65 19.348 8.460 0.511 1.00 0.00 N ATOM 1052 CA GLU A 65 19.087 7.597 1.652 1.00 0.00 C ATOM 1053 C GLU A 65 17.664 7.910 2.144 1.00 0.00 C ATOM 1054 O GLU A 65 16.835 7.010 2.277 1.00 0.00 O ATOM 1055 CB GLU A 65 20.180 7.811 2.724 1.00 0.00 C ATOM 1056 CG GLU A 65 21.596 7.598 2.150 1.00 0.00 C ATOM 1057 CD GLU A 65 22.714 8.020 3.105 1.00 0.00 C ATOM 1058 OE1 GLU A 65 22.521 9.041 3.801 1.00 0.00 O ATOM 1059 OE2 GLU A 65 23.763 7.340 3.085 1.00 0.00 O ATOM 0 H GLU A 65 19.981 9.231 0.723 1.00 0.00 H new ATOM 0 HA GLU A 65 19.131 6.539 1.393 1.00 0.00 H new ATOM 0 HB2 GLU A 65 20.100 8.820 3.128 1.00 0.00 H new ATOM 0 HB3 GLU A 65 20.016 7.122 3.552 1.00 0.00 H new ATOM 0 HG2 GLU A 65 21.722 6.545 1.899 1.00 0.00 H new ATOM 0 HG3 GLU A 65 21.691 8.161 1.221 1.00 0.00 H new ATOM 1066 N PHE A 66 17.387 9.201 2.384 1.00 0.00 N ATOM 1067 CA PHE A 66 16.117 9.770 2.846 1.00 0.00 C ATOM 1068 C PHE A 66 14.903 9.130 2.165 1.00 0.00 C ATOM 1069 O PHE A 66 13.861 8.959 2.793 1.00 0.00 O ATOM 1070 CB PHE A 66 16.148 11.295 2.652 1.00 0.00 C ATOM 1071 CG PHE A 66 14.967 12.069 3.206 1.00 0.00 C ATOM 1072 CD1 PHE A 66 14.852 12.280 4.590 1.00 0.00 C ATOM 1073 CD2 PHE A 66 14.063 12.699 2.327 1.00 0.00 C ATOM 1074 CE1 PHE A 66 13.812 13.079 5.099 1.00 0.00 C ATOM 1075 CE2 PHE A 66 13.025 13.501 2.836 1.00 0.00 C ATOM 1076 CZ PHE A 66 12.887 13.676 4.224 1.00 0.00 C ATOM 0 H PHE A 66 18.095 9.923 2.250 1.00 0.00 H new ATOM 0 HA PHE A 66 16.005 9.547 3.907 1.00 0.00 H new ATOM 0 HB2 PHE A 66 17.056 11.680 3.115 1.00 0.00 H new ATOM 0 HB3 PHE A 66 16.222 11.502 1.584 1.00 0.00 H new ATOM 0 HD1 PHE A 66 15.564 11.828 5.265 1.00 0.00 H new ATOM 0 HD2 PHE A 66 14.167 12.566 1.260 1.00 0.00 H new ATOM 0 HE1 PHE A 66 13.724 13.234 6.164 1.00 0.00 H new ATOM 0 HE2 PHE A 66 12.334 13.982 2.160 1.00 0.00 H new ATOM 0 HZ PHE A 66 12.073 14.267 4.617 1.00 0.00 H new ATOM 1086 N GLN A 67 15.029 8.753 0.890 1.00 0.00 N ATOM 1087 CA GLN A 67 13.972 8.073 0.150 1.00 0.00 C ATOM 1088 C GLN A 67 13.332 6.932 0.965 1.00 0.00 C ATOM 1089 O GLN A 67 12.108 6.808 0.991 1.00 0.00 O ATOM 1090 CB GLN A 67 14.532 7.523 -1.167 1.00 0.00 C ATOM 1091 CG GLN A 67 14.999 8.641 -2.110 1.00 0.00 C ATOM 1092 CD GLN A 67 15.529 8.078 -3.423 1.00 0.00 C ATOM 1093 OE1 GLN A 67 14.967 8.325 -4.484 1.00 0.00 O ATOM 1094 NE2 GLN A 67 16.616 7.315 -3.367 1.00 0.00 N ATOM 0 H GLN A 67 15.874 8.914 0.342 1.00 0.00 H new ATOM 0 HA GLN A 67 13.191 8.805 -0.055 1.00 0.00 H new ATOM 0 HB2 GLN A 67 15.368 6.857 -0.954 1.00 0.00 H new ATOM 0 HB3 GLN A 67 13.767 6.926 -1.664 1.00 0.00 H new ATOM 0 HG2 GLN A 67 14.169 9.319 -2.312 1.00 0.00 H new ATOM 0 HG3 GLN A 67 15.778 9.227 -1.623 1.00 0.00 H new ATOM 0 HE21 GLN A 67 17.062 7.127 -2.469 1.00 0.00 H new ATOM 0 HE22 GLN A 67 17.005 6.917 -4.222 1.00 0.00 H new ATOM 1103 N VAL A 68 14.136 6.098 1.640 1.00 0.00 N ATOM 1104 CA VAL A 68 13.589 4.976 2.409 1.00 0.00 C ATOM 1105 C VAL A 68 12.782 5.461 3.621 1.00 0.00 C ATOM 1106 O VAL A 68 11.901 4.751 4.107 1.00 0.00 O ATOM 1107 CB VAL A 68 14.687 3.954 2.767 1.00 0.00 C ATOM 1108 CG1 VAL A 68 15.504 4.365 3.997 1.00 0.00 C ATOM 1109 CG2 VAL A 68 14.089 2.564 3.015 1.00 0.00 C ATOM 0 H VAL A 68 15.152 6.178 1.668 1.00 0.00 H new ATOM 0 HA VAL A 68 12.878 4.444 1.777 1.00 0.00 H new ATOM 0 HB VAL A 68 15.356 3.925 1.907 1.00 0.00 H new ATOM 0 HG11 VAL A 68 16.261 3.608 4.201 1.00 0.00 H new ATOM 0 HG12 VAL A 68 15.990 5.322 3.808 1.00 0.00 H new ATOM 0 HG13 VAL A 68 14.843 4.458 4.859 1.00 0.00 H new ATOM 0 HG21 VAL A 68 14.886 1.864 3.265 1.00 0.00 H new ATOM 0 HG22 VAL A 68 13.379 2.615 3.840 1.00 0.00 H new ATOM 0 HG23 VAL A 68 13.576 2.223 2.116 1.00 0.00 H new ATOM 1119 N LEU A 69 13.066 6.672 4.108 1.00 0.00 N ATOM 1120 CA LEU A 69 12.353 7.269 5.223 1.00 0.00 C ATOM 1121 C LEU A 69 11.040 7.827 4.680 1.00 0.00 C ATOM 1122 O LEU A 69 9.978 7.539 5.218 1.00 0.00 O ATOM 1123 CB LEU A 69 13.223 8.336 5.904 1.00 0.00 C ATOM 1124 CG LEU A 69 12.513 9.086 7.039 1.00 0.00 C ATOM 1125 CD1 LEU A 69 12.079 8.152 8.174 1.00 0.00 C ATOM 1126 CD2 LEU A 69 13.427 10.186 7.575 1.00 0.00 C ATOM 0 H LEU A 69 13.805 7.265 3.731 1.00 0.00 H new ATOM 0 HA LEU A 69 12.129 6.533 5.995 1.00 0.00 H new ATOM 0 HB2 LEU A 69 14.120 7.860 6.301 1.00 0.00 H new ATOM 0 HB3 LEU A 69 13.550 9.057 5.154 1.00 0.00 H new ATOM 0 HG LEU A 69 11.605 9.527 6.628 1.00 0.00 H new ATOM 0 HD11 LEU A 69 11.582 8.731 8.952 1.00 0.00 H new ATOM 0 HD12 LEU A 69 11.391 7.402 7.785 1.00 0.00 H new ATOM 0 HD13 LEU A 69 12.955 7.658 8.594 1.00 0.00 H new ATOM 0 HD21 LEU A 69 12.922 10.718 8.381 1.00 0.00 H new ATOM 0 HD22 LEU A 69 14.347 9.742 7.954 1.00 0.00 H new ATOM 0 HD23 LEU A 69 13.665 10.884 6.773 1.00 0.00 H new ATOM 1138 N VAL A 70 11.109 8.613 3.598 1.00 0.00 N ATOM 1139 CA VAL A 70 9.942 9.205 2.939 1.00 0.00 C ATOM 1140 C VAL A 70 8.829 8.171 2.778 1.00 0.00 C ATOM 1141 O VAL A 70 7.659 8.491 3.001 1.00 0.00 O ATOM 1142 CB VAL A 70 10.368 9.798 1.585 1.00 0.00 C ATOM 1143 CG1 VAL A 70 9.185 10.080 0.650 1.00 0.00 C ATOM 1144 CG2 VAL A 70 11.159 11.085 1.817 1.00 0.00 C ATOM 0 H VAL A 70 11.992 8.858 3.150 1.00 0.00 H new ATOM 0 HA VAL A 70 9.543 10.009 3.558 1.00 0.00 H new ATOM 0 HB VAL A 70 10.988 9.050 1.091 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.553 10.497 -0.287 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.651 9.151 0.449 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.509 10.792 1.123 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.461 11.505 0.857 1.00 0.00 H new ATOM 0 HG22 VAL A 70 10.536 11.804 2.348 1.00 0.00 H new ATOM 0 HG23 VAL A 70 12.046 10.865 2.411 1.00 0.00 H new ATOM 1154 N LYS A 71 9.193 6.940 2.402 1.00 0.00 N ATOM 1155 CA LYS A 71 8.248 5.841 2.292 1.00 0.00 C ATOM 1156 C LYS A 71 7.675 5.569 3.691 1.00 0.00 C ATOM 1157 O LYS A 71 8.236 4.788 4.455 1.00 0.00 O ATOM 1158 CB LYS A 71 8.954 4.603 1.717 1.00 0.00 C ATOM 1159 CG LYS A 71 9.453 4.790 0.277 1.00 0.00 C ATOM 1160 CD LYS A 71 8.310 4.785 -0.751 1.00 0.00 C ATOM 1161 CE LYS A 71 8.835 4.999 -2.177 1.00 0.00 C ATOM 1162 NZ LYS A 71 9.726 3.909 -2.612 1.00 0.00 N ATOM 0 H LYS A 71 10.152 6.685 2.167 1.00 0.00 H new ATOM 0 HA LYS A 71 7.432 6.092 1.614 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.800 4.349 2.355 1.00 0.00 H new ATOM 0 HB3 LYS A 71 8.267 3.757 1.747 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.997 5.732 0.205 1.00 0.00 H new ATOM 0 HG3 LYS A 71 10.158 3.995 0.035 1.00 0.00 H new ATOM 0 HD2 LYS A 71 7.775 3.837 -0.698 1.00 0.00 H new ATOM 0 HD3 LYS A 71 7.594 5.569 -0.504 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.993 5.074 -2.865 1.00 0.00 H new ATOM 0 HE3 LYS A 71 9.372 5.946 -2.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 9.920 4.005 -3.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.620 3.959 -2.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.268 2.993 -2.432 1.00 0.00 H new