USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 416 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 13 TYR OH : rot -39:sc= 0.167 USER MOD Set 1.2: A 34 THR OG1 : rot 66:sc= 1.72 USER MOD Single : A 2 SER OG : rot 21:sc= 0.564 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0456) USER MOD Single : A 22 GLN : amide:sc= -0.61 K(o=-0.61,f=-0.026) USER MOD Single : A 24 SER OG : rot 180:sc= 0.0584 USER MOD Single : A 25 LYS NZ :NH3+ -155:sc= 0.379 (180deg=0.164) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -1.41 K(o=-1.4,f=-0.069) USER MOD Single : A 55 LYS NZ :NH3+ -143:sc= 0.965 (180deg=0.0991) USER MOD Single : A 62 SER OG : rot -72:sc= 1.12 USER MOD Single : A 67 GLN : amide:sc= -0.13 X(o=-0.13,f=-0.38) USER MOD ----------------------------------------------------------------- ATOM 25 N SER A 2 2.363 -0.358 -1.849 1.00 0.00 N ATOM 26 CA SER A 2 2.327 -1.593 -2.611 1.00 0.00 C ATOM 27 C SER A 2 1.866 -1.396 -4.055 1.00 0.00 C ATOM 28 O SER A 2 2.563 -1.862 -4.947 1.00 0.00 O ATOM 29 CB SER A 2 1.531 -2.674 -1.874 1.00 0.00 C ATOM 30 OG SER A 2 1.645 -2.485 -0.475 1.00 0.00 O ATOM 0 HA SER A 2 3.355 -1.946 -2.690 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.483 -2.633 -2.171 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.902 -3.662 -2.148 1.00 0.00 H new ATOM 0 HG SER A 2 1.900 -1.557 -0.290 1.00 0.00 H new ATOM 36 N PRO A 3 0.750 -0.699 -4.333 1.00 0.00 N ATOM 37 CA PRO A 3 0.319 -0.444 -5.700 1.00 0.00 C ATOM 38 C PRO A 3 1.440 0.131 -6.572 1.00 0.00 C ATOM 39 O PRO A 3 1.671 -0.341 -7.682 1.00 0.00 O ATOM 40 CB PRO A 3 -0.865 0.522 -5.582 1.00 0.00 C ATOM 41 CG PRO A 3 -1.443 0.186 -4.207 1.00 0.00 C ATOM 42 CD PRO A 3 -0.180 -0.087 -3.394 1.00 0.00 C ATOM 0 HA PRO A 3 0.034 -1.371 -6.199 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -0.545 1.562 -5.643 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -1.595 0.366 -6.376 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -2.024 1.011 -3.795 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -2.102 -0.681 -4.242 1.00 0.00 H new ATOM 0 HD2 PRO A 3 0.228 0.834 -2.978 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -0.387 -0.751 -2.555 1.00 0.00 H new ATOM 50 N GLU A 4 2.149 1.139 -6.056 1.00 0.00 N ATOM 51 CA GLU A 4 3.217 1.815 -6.774 1.00 0.00 C ATOM 52 C GLU A 4 4.394 0.862 -6.970 1.00 0.00 C ATOM 53 O GLU A 4 4.946 0.759 -8.065 1.00 0.00 O ATOM 54 CB GLU A 4 3.653 3.064 -5.996 1.00 0.00 C ATOM 55 CG GLU A 4 2.494 4.045 -5.764 1.00 0.00 C ATOM 56 CD GLU A 4 2.932 5.195 -4.865 1.00 0.00 C ATOM 57 OE1 GLU A 4 2.916 4.981 -3.632 1.00 0.00 O ATOM 58 OE2 GLU A 4 3.285 6.254 -5.424 1.00 0.00 O ATOM 0 H GLU A 4 1.991 1.507 -5.118 1.00 0.00 H new ATOM 0 HA GLU A 4 2.857 2.125 -7.755 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.068 2.763 -5.034 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.449 3.569 -6.543 1.00 0.00 H new ATOM 0 HG2 GLU A 4 2.146 4.437 -6.720 1.00 0.00 H new ATOM 0 HG3 GLU A 4 1.653 3.521 -5.309 1.00 0.00 H new ATOM 65 N GLU A 5 4.772 0.158 -5.901 1.00 0.00 N ATOM 66 CA GLU A 5 5.844 -0.824 -5.949 1.00 0.00 C ATOM 67 C GLU A 5 5.547 -1.854 -7.044 1.00 0.00 C ATOM 68 O GLU A 5 6.379 -2.125 -7.908 1.00 0.00 O ATOM 69 CB GLU A 5 5.980 -1.474 -4.566 1.00 0.00 C ATOM 70 CG GLU A 5 7.212 -2.379 -4.465 1.00 0.00 C ATOM 71 CD GLU A 5 7.318 -2.983 -3.069 1.00 0.00 C ATOM 72 OE1 GLU A 5 6.709 -4.055 -2.866 1.00 0.00 O ATOM 73 OE2 GLU A 5 7.983 -2.344 -2.225 1.00 0.00 O ATOM 0 H GLU A 5 4.341 0.256 -4.982 1.00 0.00 H new ATOM 0 HA GLU A 5 6.794 -0.350 -6.197 1.00 0.00 H new ATOM 0 HB2 GLU A 5 6.041 -0.695 -3.806 1.00 0.00 H new ATOM 0 HB3 GLU A 5 5.085 -2.058 -4.352 1.00 0.00 H new ATOM 0 HG2 GLU A 5 7.148 -3.174 -5.208 1.00 0.00 H new ATOM 0 HG3 GLU A 5 8.111 -1.805 -4.689 1.00 0.00 H new ATOM 80 N LEU A 6 4.339 -2.412 -7.008 1.00 0.00 N ATOM 81 CA LEU A 6 3.897 -3.446 -7.924 1.00 0.00 C ATOM 82 C LEU A 6 3.808 -2.891 -9.342 1.00 0.00 C ATOM 83 O LEU A 6 4.156 -3.600 -10.279 1.00 0.00 O ATOM 84 CB LEU A 6 2.563 -4.045 -7.467 1.00 0.00 C ATOM 85 CG LEU A 6 2.665 -4.723 -6.090 1.00 0.00 C ATOM 86 CD1 LEU A 6 1.272 -4.806 -5.465 1.00 0.00 C ATOM 87 CD2 LEU A 6 3.246 -6.132 -6.216 1.00 0.00 C ATOM 0 H LEU A 6 3.629 -2.148 -6.324 1.00 0.00 H new ATOM 0 HA LEU A 6 4.631 -4.252 -7.924 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.810 -3.258 -7.427 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.224 -4.774 -8.203 1.00 0.00 H new ATOM 0 HG LEU A 6 3.327 -4.130 -5.459 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.339 -5.286 -4.489 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.865 -3.802 -5.348 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.617 -5.390 -6.112 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.308 -6.590 -5.229 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.602 -6.735 -6.856 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.243 -6.077 -6.653 1.00 0.00 H new ATOM 99 N LYS A 7 3.374 -1.638 -9.519 1.00 0.00 N ATOM 100 CA LYS A 7 3.446 -0.971 -10.808 1.00 0.00 C ATOM 101 C LYS A 7 4.887 -0.947 -11.314 1.00 0.00 C ATOM 102 O LYS A 7 5.143 -1.340 -12.449 1.00 0.00 O ATOM 103 CB LYS A 7 2.863 0.439 -10.692 1.00 0.00 C ATOM 104 CG LYS A 7 2.569 1.039 -12.070 1.00 0.00 C ATOM 105 CD LYS A 7 1.901 2.410 -11.915 1.00 0.00 C ATOM 106 CE LYS A 7 2.901 3.490 -11.483 1.00 0.00 C ATOM 107 NZ LYS A 7 2.266 4.818 -11.433 1.00 0.00 N ATOM 0 H LYS A 7 2.968 -1.069 -8.776 1.00 0.00 H new ATOM 0 HA LYS A 7 2.854 -1.523 -11.538 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.946 0.407 -10.104 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.563 1.080 -10.156 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.495 1.139 -12.637 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.919 0.371 -12.635 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.441 2.699 -12.860 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.100 2.342 -11.179 1.00 0.00 H new ATOM 0 HE2 LYS A 7 3.307 3.241 -10.502 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.740 3.511 -12.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.967 5.527 -11.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.900 5.064 -12.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.481 4.802 -10.751 1.00 0.00 H new ATOM 121 N GLY A 8 5.826 -0.505 -10.473 1.00 0.00 N ATOM 122 CA GLY A 8 7.242 -0.464 -10.807 1.00 0.00 C ATOM 123 C GLY A 8 7.748 -1.838 -11.247 1.00 0.00 C ATOM 124 O GLY A 8 8.292 -1.989 -12.340 1.00 0.00 O ATOM 0 H GLY A 8 5.617 -0.164 -9.535 1.00 0.00 H new ATOM 0 HA2 GLY A 8 7.409 0.260 -11.604 1.00 0.00 H new ATOM 0 HA3 GLY A 8 7.812 -0.124 -9.943 1.00 0.00 H new ATOM 128 N ILE A 9 7.552 -2.848 -10.398 1.00 0.00 N ATOM 129 CA ILE A 9 7.897 -4.231 -10.708 1.00 0.00 C ATOM 130 C ILE A 9 7.291 -4.610 -12.064 1.00 0.00 C ATOM 131 O ILE A 9 8.008 -4.986 -12.991 1.00 0.00 O ATOM 132 CB ILE A 9 7.402 -5.135 -9.559 1.00 0.00 C ATOM 133 CG1 ILE A 9 8.221 -4.912 -8.274 1.00 0.00 C ATOM 134 CG2 ILE A 9 7.424 -6.622 -9.905 1.00 0.00 C ATOM 135 CD1 ILE A 9 7.660 -5.720 -7.098 1.00 0.00 C ATOM 0 H ILE A 9 7.146 -2.726 -9.470 1.00 0.00 H new ATOM 0 HA ILE A 9 8.976 -4.361 -10.790 1.00 0.00 H new ATOM 0 HB ILE A 9 6.364 -4.844 -9.395 1.00 0.00 H new ATOM 0 HG12 ILE A 9 9.258 -5.197 -8.449 1.00 0.00 H new ATOM 0 HG13 ILE A 9 8.220 -3.852 -8.021 1.00 0.00 H new ATOM 0 HG21 ILE A 9 7.064 -7.199 -9.053 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.780 -6.805 -10.766 1.00 0.00 H new ATOM 0 HG23 ILE A 9 8.444 -6.925 -10.144 1.00 0.00 H new ATOM 0 HD11 ILE A 9 8.264 -5.537 -6.209 1.00 0.00 H new ATOM 0 HD12 ILE A 9 6.631 -5.416 -6.906 1.00 0.00 H new ATOM 0 HD13 ILE A 9 7.686 -6.782 -7.341 1.00 0.00 H new ATOM 147 N PHE A 10 5.965 -4.506 -12.167 1.00 0.00 N ATOM 148 CA PHE A 10 5.194 -4.823 -13.358 1.00 0.00 C ATOM 149 C PHE A 10 5.834 -4.211 -14.605 1.00 0.00 C ATOM 150 O PHE A 10 6.161 -4.940 -15.539 1.00 0.00 O ATOM 151 CB PHE A 10 3.739 -4.370 -13.164 1.00 0.00 C ATOM 152 CG PHE A 10 2.899 -4.403 -14.422 1.00 0.00 C ATOM 153 CD1 PHE A 10 2.903 -3.297 -15.289 1.00 0.00 C ATOM 154 CD2 PHE A 10 2.143 -5.541 -14.749 1.00 0.00 C ATOM 155 CE1 PHE A 10 2.276 -3.385 -16.539 1.00 0.00 C ATOM 156 CE2 PHE A 10 1.476 -5.609 -15.981 1.00 0.00 C ATOM 157 CZ PHE A 10 1.591 -4.556 -16.899 1.00 0.00 C ATOM 0 H PHE A 10 5.383 -4.187 -11.393 1.00 0.00 H new ATOM 0 HA PHE A 10 5.192 -5.902 -13.512 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.271 -5.006 -12.413 1.00 0.00 H new ATOM 0 HB3 PHE A 10 3.738 -3.355 -12.768 1.00 0.00 H new ATOM 0 HD1 PHE A 10 3.389 -2.380 -14.992 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.075 -6.363 -14.052 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.320 -2.552 -17.225 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.874 -6.473 -16.222 1.00 0.00 H new ATOM 0 HZ PHE A 10 1.153 -4.646 -17.882 1.00 0.00 H new ATOM 167 N GLU A 11 6.019 -2.887 -14.637 1.00 0.00 N ATOM 168 CA GLU A 11 6.533 -2.235 -15.831 1.00 0.00 C ATOM 169 C GLU A 11 7.974 -2.675 -16.123 1.00 0.00 C ATOM 170 O GLU A 11 8.334 -2.870 -17.283 1.00 0.00 O ATOM 171 CB GLU A 11 6.343 -0.711 -15.784 1.00 0.00 C ATOM 172 CG GLU A 11 7.202 0.003 -14.737 1.00 0.00 C ATOM 173 CD GLU A 11 6.811 1.470 -14.604 1.00 0.00 C ATOM 174 OE1 GLU A 11 7.394 2.284 -15.351 1.00 0.00 O ATOM 175 OE2 GLU A 11 5.931 1.752 -13.759 1.00 0.00 O ATOM 0 H GLU A 11 5.822 -2.259 -13.858 1.00 0.00 H new ATOM 0 HA GLU A 11 5.938 -2.566 -16.683 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.572 -0.298 -16.767 1.00 0.00 H new ATOM 0 HB3 GLU A 11 5.294 -0.494 -15.584 1.00 0.00 H new ATOM 0 HG2 GLU A 11 7.091 -0.494 -13.773 1.00 0.00 H new ATOM 0 HG3 GLU A 11 8.253 -0.071 -15.015 1.00 0.00 H new ATOM 182 N LYS A 12 8.803 -2.861 -15.087 1.00 0.00 N ATOM 183 CA LYS A 12 10.169 -3.339 -15.277 1.00 0.00 C ATOM 184 C LYS A 12 10.180 -4.735 -15.909 1.00 0.00 C ATOM 185 O LYS A 12 10.965 -4.992 -16.819 1.00 0.00 O ATOM 186 CB LYS A 12 10.934 -3.316 -13.948 1.00 0.00 C ATOM 187 CG LYS A 12 11.234 -1.876 -13.514 1.00 0.00 C ATOM 188 CD LYS A 12 11.782 -1.862 -12.081 1.00 0.00 C ATOM 189 CE LYS A 12 11.963 -0.433 -11.557 1.00 0.00 C ATOM 190 NZ LYS A 12 12.942 0.328 -12.352 1.00 0.00 N ATOM 0 H LYS A 12 8.548 -2.687 -14.115 1.00 0.00 H new ATOM 0 HA LYS A 12 10.677 -2.667 -15.968 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.348 -3.818 -13.178 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.867 -3.871 -14.051 1.00 0.00 H new ATOM 0 HG2 LYS A 12 11.958 -1.426 -14.193 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.327 -1.274 -13.571 1.00 0.00 H new ATOM 0 HD2 LYS A 12 11.102 -2.406 -11.426 1.00 0.00 H new ATOM 0 HD3 LYS A 12 12.738 -2.384 -12.052 1.00 0.00 H new ATOM 0 HE2 LYS A 12 11.003 0.083 -11.574 1.00 0.00 H new ATOM 0 HE3 LYS A 12 12.289 -0.467 -10.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 13.097 1.258 -11.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 13.842 -0.193 -12.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.580 0.456 -13.318 1.00 0.00 H new ATOM 204 N TYR A 13 9.319 -5.641 -15.440 1.00 0.00 N ATOM 205 CA TYR A 13 9.132 -6.933 -16.082 1.00 0.00 C ATOM 206 C TYR A 13 8.657 -6.770 -17.519 1.00 0.00 C ATOM 207 O TYR A 13 9.314 -7.242 -18.444 1.00 0.00 O ATOM 208 CB TYR A 13 8.181 -7.795 -15.256 1.00 0.00 C ATOM 209 CG TYR A 13 8.918 -8.564 -14.189 1.00 0.00 C ATOM 210 CD1 TYR A 13 9.661 -9.699 -14.550 1.00 0.00 C ATOM 211 CD2 TYR A 13 8.860 -8.168 -12.844 1.00 0.00 C ATOM 212 CE1 TYR A 13 10.364 -10.419 -13.576 1.00 0.00 C ATOM 213 CE2 TYR A 13 9.600 -8.862 -11.877 1.00 0.00 C ATOM 214 CZ TYR A 13 10.357 -9.985 -12.242 1.00 0.00 C ATOM 215 OH TYR A 13 11.011 -10.689 -11.282 1.00 0.00 O ATOM 0 H TYR A 13 8.740 -5.497 -14.613 1.00 0.00 H new ATOM 0 HA TYR A 13 10.093 -7.446 -16.128 1.00 0.00 H new ATOM 0 HB2 TYR A 13 7.424 -7.162 -14.793 1.00 0.00 H new ATOM 0 HB3 TYR A 13 7.657 -8.491 -15.911 1.00 0.00 H new ATOM 0 HD1 TYR A 13 9.691 -10.018 -15.581 1.00 0.00 H new ATOM 0 HD2 TYR A 13 8.245 -7.329 -12.554 1.00 0.00 H new ATOM 0 HE1 TYR A 13 10.911 -11.308 -13.852 1.00 0.00 H new ATOM 0 HE2 TYR A 13 9.587 -8.531 -10.849 1.00 0.00 H new ATOM 0 HH TYR A 13 10.896 -11.649 -11.444 1.00 0.00 H new ATOM 225 N ALA A 14 7.521 -6.102 -17.702 1.00 0.00 N ATOM 226 CA ALA A 14 6.936 -5.827 -19.002 1.00 0.00 C ATOM 227 C ALA A 14 7.996 -5.385 -20.011 1.00 0.00 C ATOM 228 O ALA A 14 8.139 -5.996 -21.065 1.00 0.00 O ATOM 229 CB ALA A 14 5.857 -4.762 -18.849 1.00 0.00 C ATOM 0 H ALA A 14 6.971 -5.729 -16.928 1.00 0.00 H new ATOM 0 HA ALA A 14 6.490 -6.744 -19.388 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.414 -4.551 -19.822 1.00 0.00 H new ATOM 0 HB2 ALA A 14 5.085 -5.121 -18.169 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.300 -3.851 -18.447 1.00 0.00 H new ATOM 235 N ALA A 15 8.777 -4.362 -19.659 1.00 0.00 N ATOM 236 CA ALA A 15 9.857 -3.831 -20.484 1.00 0.00 C ATOM 237 C ALA A 15 10.791 -4.905 -21.061 1.00 0.00 C ATOM 238 O ALA A 15 11.297 -4.730 -22.169 1.00 0.00 O ATOM 239 CB ALA A 15 10.649 -2.795 -19.684 1.00 0.00 C ATOM 0 H ALA A 15 8.671 -3.870 -18.772 1.00 0.00 H new ATOM 0 HA ALA A 15 9.389 -3.362 -21.349 1.00 0.00 H new ATOM 0 HB1 ALA A 15 11.456 -2.398 -20.300 1.00 0.00 H new ATOM 0 HB2 ALA A 15 9.987 -1.982 -19.386 1.00 0.00 H new ATOM 0 HB3 ALA A 15 11.069 -3.265 -18.795 1.00 0.00 H new ATOM 329 N GLN A 22 2.944 -4.300 -20.482 1.00 0.00 N ATOM 330 CA GLN A 22 2.152 -5.508 -20.665 1.00 0.00 C ATOM 331 C GLN A 22 2.976 -6.784 -20.463 1.00 0.00 C ATOM 332 O GLN A 22 4.133 -6.827 -20.873 1.00 0.00 O ATOM 333 CB GLN A 22 1.477 -5.449 -22.041 1.00 0.00 C ATOM 334 CG GLN A 22 -0.006 -5.781 -21.911 1.00 0.00 C ATOM 335 CD GLN A 22 -0.824 -5.512 -23.171 1.00 0.00 C ATOM 336 OE1 GLN A 22 -2.046 -5.576 -23.130 1.00 0.00 O ATOM 337 NE2 GLN A 22 -0.189 -5.169 -24.288 1.00 0.00 N ATOM 0 HA GLN A 22 1.381 -5.551 -19.896 1.00 0.00 H new ATOM 0 HB2 GLN A 22 1.599 -4.455 -22.472 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.957 -6.153 -22.721 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -0.109 -6.833 -21.643 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -0.425 -5.201 -21.089 1.00 0.00 H new ATOM 0 HE21 GLN A 22 0.830 -5.121 -24.301 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -0.721 -4.953 -25.131 1.00 0.00 H new ATOM 346 N LEU A 23 2.385 -7.805 -19.823 1.00 0.00 N ATOM 347 CA LEU A 23 3.051 -9.060 -19.470 1.00 0.00 C ATOM 348 C LEU A 23 2.448 -10.253 -20.229 1.00 0.00 C ATOM 349 O LEU A 23 1.313 -10.636 -19.952 1.00 0.00 O ATOM 350 CB LEU A 23 2.889 -9.344 -17.967 1.00 0.00 C ATOM 351 CG LEU A 23 3.382 -8.262 -17.000 1.00 0.00 C ATOM 352 CD1 LEU A 23 2.925 -8.644 -15.595 1.00 0.00 C ATOM 353 CD2 LEU A 23 4.896 -8.145 -16.938 1.00 0.00 C ATOM 0 H LEU A 23 1.408 -7.776 -19.532 1.00 0.00 H new ATOM 0 HA LEU A 23 4.102 -8.946 -19.737 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.832 -9.522 -17.767 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.417 -10.270 -17.738 1.00 0.00 H new ATOM 0 HG LEU A 23 2.978 -7.314 -17.356 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.263 -7.889 -14.885 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.837 -8.704 -15.570 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.348 -9.612 -15.325 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.172 -7.360 -16.234 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.321 -9.093 -16.609 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.283 -7.898 -17.927 1.00 0.00 H new ATOM 365 N SER A 24 3.182 -10.886 -21.146 1.00 0.00 N ATOM 366 CA SER A 24 2.763 -12.164 -21.726 1.00 0.00 C ATOM 367 C SER A 24 2.672 -13.231 -20.636 1.00 0.00 C ATOM 368 O SER A 24 3.237 -13.043 -19.567 1.00 0.00 O ATOM 369 CB SER A 24 3.780 -12.623 -22.778 1.00 0.00 C ATOM 370 OG SER A 24 5.050 -12.802 -22.172 1.00 0.00 O ATOM 0 H SER A 24 4.070 -10.534 -21.503 1.00 0.00 H new ATOM 0 HA SER A 24 1.787 -12.027 -22.191 1.00 0.00 H new ATOM 0 HB2 SER A 24 3.449 -13.556 -23.234 1.00 0.00 H new ATOM 0 HB3 SER A 24 3.849 -11.885 -23.577 1.00 0.00 H new ATOM 0 HG SER A 24 5.696 -13.097 -22.847 1.00 0.00 H new ATOM 376 N LYS A 25 2.024 -14.371 -20.903 1.00 0.00 N ATOM 377 CA LYS A 25 2.066 -15.554 -20.044 1.00 0.00 C ATOM 378 C LYS A 25 3.469 -15.802 -19.492 1.00 0.00 C ATOM 379 O LYS A 25 3.625 -16.050 -18.300 1.00 0.00 O ATOM 380 CB LYS A 25 1.627 -16.791 -20.829 1.00 0.00 C ATOM 381 CG LYS A 25 0.164 -16.767 -21.290 1.00 0.00 C ATOM 382 CD LYS A 25 -0.127 -17.973 -22.193 1.00 0.00 C ATOM 383 CE LYS A 25 -1.570 -17.964 -22.710 1.00 0.00 C ATOM 384 NZ LYS A 25 -2.545 -18.225 -21.637 1.00 0.00 N ATOM 0 H LYS A 25 1.448 -14.497 -21.735 1.00 0.00 H new ATOM 0 HA LYS A 25 1.387 -15.371 -19.211 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.268 -16.897 -21.704 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.785 -17.674 -20.209 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.498 -16.784 -20.424 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.040 -15.842 -21.829 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.562 -17.969 -23.038 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.054 -18.894 -21.639 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.785 -16.998 -23.167 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.680 -18.717 -23.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.414 -18.623 -22.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.141 -18.901 -20.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.770 -17.335 -21.148 1.00 0.00 H new ATOM 398 N GLU A 26 4.487 -15.738 -20.354 1.00 0.00 N ATOM 399 CA GLU A 26 5.867 -15.945 -19.949 1.00 0.00 C ATOM 400 C GLU A 26 6.268 -14.916 -18.891 1.00 0.00 C ATOM 401 O GLU A 26 6.767 -15.278 -17.828 1.00 0.00 O ATOM 402 CB GLU A 26 6.775 -15.889 -21.185 1.00 0.00 C ATOM 403 CG GLU A 26 8.230 -16.234 -20.840 1.00 0.00 C ATOM 404 CD GLU A 26 9.102 -16.239 -22.092 1.00 0.00 C ATOM 405 OE1 GLU A 26 9.546 -15.137 -22.479 1.00 0.00 O ATOM 406 OE2 GLU A 26 9.294 -17.343 -22.644 1.00 0.00 O ATOM 0 H GLU A 26 4.371 -15.541 -21.348 1.00 0.00 H new ATOM 0 HA GLU A 26 5.978 -16.930 -19.495 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.406 -16.584 -21.939 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.732 -14.892 -21.623 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.619 -15.510 -20.124 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.272 -17.211 -20.359 1.00 0.00 H new ATOM 413 N GLU A 27 6.051 -13.632 -19.181 1.00 0.00 N ATOM 414 CA GLU A 27 6.466 -12.564 -18.282 1.00 0.00 C ATOM 415 C GLU A 27 5.665 -12.637 -16.969 1.00 0.00 C ATOM 416 O GLU A 27 6.210 -12.448 -15.882 1.00 0.00 O ATOM 417 CB GLU A 27 6.315 -11.216 -19.006 1.00 0.00 C ATOM 418 CG GLU A 27 7.290 -10.149 -18.488 1.00 0.00 C ATOM 419 CD GLU A 27 8.723 -10.399 -18.949 1.00 0.00 C ATOM 420 OE1 GLU A 27 8.929 -10.438 -20.180 1.00 0.00 O ATOM 421 OE2 GLU A 27 9.586 -10.558 -18.060 1.00 0.00 O ATOM 0 H GLU A 27 5.590 -13.311 -20.032 1.00 0.00 H new ATOM 0 HA GLU A 27 7.515 -12.675 -18.009 1.00 0.00 H new ATOM 0 HB2 GLU A 27 6.478 -11.362 -20.074 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.293 -10.857 -18.886 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.966 -9.167 -18.832 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.259 -10.131 -17.399 1.00 0.00 H new ATOM 428 N LEU A 28 4.368 -12.940 -17.079 1.00 0.00 N ATOM 429 CA LEU A 28 3.434 -13.087 -15.978 1.00 0.00 C ATOM 430 C LEU A 28 3.899 -14.226 -15.071 1.00 0.00 C ATOM 431 O LEU A 28 4.008 -14.073 -13.856 1.00 0.00 O ATOM 432 CB LEU A 28 2.025 -13.286 -16.565 1.00 0.00 C ATOM 433 CG LEU A 28 0.849 -13.363 -15.576 1.00 0.00 C ATOM 434 CD1 LEU A 28 0.681 -14.765 -14.977 1.00 0.00 C ATOM 435 CD2 LEU A 28 0.925 -12.288 -14.489 1.00 0.00 C ATOM 0 H LEU A 28 3.928 -13.095 -17.986 1.00 0.00 H new ATOM 0 HA LEU A 28 3.397 -12.197 -15.349 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.830 -12.467 -17.257 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.032 -14.204 -17.152 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.048 -13.157 -16.159 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.162 -14.767 -14.286 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.496 -15.482 -15.776 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.589 -15.044 -14.442 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.072 -12.388 -13.818 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.848 -12.409 -13.922 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.910 -11.301 -14.952 1.00 0.00 H new ATOM 447 N LYS A 29 4.215 -15.378 -15.655 1.00 0.00 N ATOM 448 CA LYS A 29 4.798 -16.470 -14.905 1.00 0.00 C ATOM 449 C LYS A 29 6.115 -16.026 -14.254 1.00 0.00 C ATOM 450 O LYS A 29 6.359 -16.305 -13.081 1.00 0.00 O ATOM 451 CB LYS A 29 4.983 -17.647 -15.868 1.00 0.00 C ATOM 452 CG LYS A 29 5.349 -18.936 -15.137 1.00 0.00 C ATOM 453 CD LYS A 29 5.670 -20.055 -16.132 1.00 0.00 C ATOM 454 CE LYS A 29 7.098 -19.938 -16.682 1.00 0.00 C ATOM 455 NZ LYS A 29 7.391 -21.015 -17.644 1.00 0.00 N ATOM 0 H LYS A 29 4.075 -15.573 -16.646 1.00 0.00 H new ATOM 0 HA LYS A 29 4.147 -16.781 -14.088 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.064 -17.800 -16.433 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.764 -17.405 -16.589 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.209 -18.761 -14.491 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.524 -19.241 -14.494 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.547 -21.022 -15.644 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.959 -20.022 -16.957 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.225 -18.970 -17.167 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.811 -19.979 -15.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.363 -20.909 -17.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.292 -21.937 -17.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.724 -20.960 -18.440 1.00 0.00 H new ATOM 469 N LEU A 30 6.993 -15.361 -15.008 1.00 0.00 N ATOM 470 CA LEU A 30 8.281 -14.884 -14.510 1.00 0.00 C ATOM 471 C LEU A 30 8.125 -14.051 -13.232 1.00 0.00 C ATOM 472 O LEU A 30 8.703 -14.395 -12.195 1.00 0.00 O ATOM 473 CB LEU A 30 9.062 -14.143 -15.607 1.00 0.00 C ATOM 474 CG LEU A 30 10.544 -13.929 -15.245 1.00 0.00 C ATOM 475 CD1 LEU A 30 11.336 -15.243 -15.221 1.00 0.00 C ATOM 476 CD2 LEU A 30 11.189 -12.998 -16.275 1.00 0.00 C ATOM 0 H LEU A 30 6.827 -15.138 -15.989 1.00 0.00 H new ATOM 0 HA LEU A 30 8.874 -15.756 -14.234 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.998 -14.708 -16.537 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.594 -13.176 -15.789 1.00 0.00 H new ATOM 0 HG LEU A 30 10.572 -13.495 -14.245 1.00 0.00 H new ATOM 0 HD11 LEU A 30 12.374 -15.037 -14.961 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.903 -15.915 -14.481 1.00 0.00 H new ATOM 0 HD13 LEU A 30 11.294 -15.711 -16.205 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.238 -12.845 -16.021 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.117 -13.446 -17.266 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.672 -12.039 -16.273 1.00 0.00 H new ATOM 488 N LEU A 31 7.360 -12.954 -13.274 1.00 0.00 N ATOM 489 CA LEU A 31 7.266 -12.103 -12.089 1.00 0.00 C ATOM 490 C LEU A 31 6.490 -12.774 -10.961 1.00 0.00 C ATOM 491 O LEU A 31 6.860 -12.597 -9.803 1.00 0.00 O ATOM 492 CB LEU A 31 6.857 -10.652 -12.380 1.00 0.00 C ATOM 493 CG LEU A 31 5.375 -10.277 -12.419 1.00 0.00 C ATOM 494 CD1 LEU A 31 5.232 -8.768 -12.635 1.00 0.00 C ATOM 495 CD2 LEU A 31 4.712 -10.967 -13.590 1.00 0.00 C ATOM 0 H LEU A 31 6.818 -12.645 -14.081 1.00 0.00 H new ATOM 0 HA LEU A 31 8.284 -11.993 -11.716 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.333 -10.022 -11.628 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.288 -10.379 -13.343 1.00 0.00 H new ATOM 0 HG LEU A 31 4.913 -10.577 -11.479 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.175 -8.503 -12.662 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.718 -8.236 -11.818 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.701 -8.490 -13.579 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.655 -10.700 -13.619 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.191 -10.652 -14.517 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.811 -12.047 -13.480 1.00 0.00 H new ATOM 507 N LEU A 32 5.459 -13.575 -11.255 1.00 0.00 N ATOM 508 CA LEU A 32 4.775 -14.295 -10.186 1.00 0.00 C ATOM 509 C LEU A 32 5.726 -15.279 -9.509 1.00 0.00 C ATOM 510 O LEU A 32 5.754 -15.326 -8.282 1.00 0.00 O ATOM 511 CB LEU A 32 3.446 -14.908 -10.660 1.00 0.00 C ATOM 512 CG LEU A 32 2.279 -13.922 -10.477 1.00 0.00 C ATOM 513 CD1 LEU A 32 2.612 -12.516 -10.986 1.00 0.00 C ATOM 514 CD2 LEU A 32 1.051 -14.418 -11.234 1.00 0.00 C ATOM 0 H LEU A 32 5.093 -13.735 -12.193 1.00 0.00 H new ATOM 0 HA LEU A 32 4.480 -13.584 -9.414 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.527 -15.189 -11.710 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.244 -15.821 -10.101 1.00 0.00 H new ATOM 0 HG LEU A 32 2.086 -13.868 -9.406 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.754 -11.861 -10.833 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.470 -12.125 -10.439 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.849 -12.561 -12.049 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.231 -13.713 -11.098 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.286 -14.501 -12.295 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.757 -15.395 -10.850 1.00 0.00 H new ATOM 526 N GLN A 33 6.557 -16.007 -10.262 1.00 0.00 N ATOM 527 CA GLN A 33 7.596 -16.824 -9.646 1.00 0.00 C ATOM 528 C GLN A 33 8.513 -15.972 -8.772 1.00 0.00 C ATOM 529 O GLN A 33 8.748 -16.314 -7.616 1.00 0.00 O ATOM 530 CB GLN A 33 8.440 -17.552 -10.701 1.00 0.00 C ATOM 531 CG GLN A 33 7.711 -18.696 -11.415 1.00 0.00 C ATOM 532 CD GLN A 33 8.461 -19.097 -12.676 1.00 0.00 C ATOM 533 OE1 GLN A 33 9.010 -20.187 -12.782 1.00 0.00 O ATOM 534 NE2 GLN A 33 8.483 -18.193 -13.645 1.00 0.00 N ATOM 0 H GLN A 33 6.529 -16.045 -11.281 1.00 0.00 H new ATOM 0 HA GLN A 33 7.091 -17.566 -9.027 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.772 -16.828 -11.445 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.334 -17.950 -10.222 1.00 0.00 H new ATOM 0 HG2 GLN A 33 7.624 -19.553 -10.747 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.697 -18.387 -11.670 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.013 -17.297 -13.517 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.970 -18.394 -14.519 1.00 0.00 H new ATOM 543 N THR A 34 9.063 -14.891 -9.335 1.00 0.00 N ATOM 544 CA THR A 34 10.075 -14.121 -8.622 1.00 0.00 C ATOM 545 C THR A 34 9.495 -13.525 -7.332 1.00 0.00 C ATOM 546 O THR A 34 10.077 -13.664 -6.259 1.00 0.00 O ATOM 547 CB THR A 34 10.670 -13.007 -9.504 1.00 0.00 C ATOM 548 OG1 THR A 34 10.924 -13.416 -10.841 1.00 0.00 O ATOM 549 CG2 THR A 34 11.999 -12.542 -8.898 1.00 0.00 C ATOM 0 H THR A 34 8.828 -14.539 -10.263 1.00 0.00 H new ATOM 0 HA THR A 34 10.881 -14.807 -8.362 1.00 0.00 H new ATOM 0 HB THR A 34 9.927 -12.210 -9.534 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.075 -13.612 -11.290 1.00 0.00 H new ATOM 0 HG21 THR A 34 12.425 -11.753 -9.518 1.00 0.00 H new ATOM 0 HG22 THR A 34 11.826 -12.159 -7.892 1.00 0.00 H new ATOM 0 HG23 THR A 34 12.692 -13.382 -8.853 1.00 0.00 H new ATOM 557 N GLU A 35 8.367 -12.825 -7.457 1.00 0.00 N ATOM 558 CA GLU A 35 7.800 -12.003 -6.405 1.00 0.00 C ATOM 559 C GLU A 35 6.845 -12.778 -5.493 1.00 0.00 C ATOM 560 O GLU A 35 6.790 -12.482 -4.299 1.00 0.00 O ATOM 561 CB GLU A 35 7.104 -10.795 -7.053 1.00 0.00 C ATOM 562 CG GLU A 35 8.015 -10.020 -8.016 1.00 0.00 C ATOM 563 CD GLU A 35 9.315 -9.558 -7.368 1.00 0.00 C ATOM 564 OE1 GLU A 35 9.219 -8.876 -6.324 1.00 0.00 O ATOM 565 OE2 GLU A 35 10.379 -9.893 -7.929 1.00 0.00 O ATOM 0 H GLU A 35 7.815 -12.818 -8.315 1.00 0.00 H new ATOM 0 HA GLU A 35 8.608 -11.665 -5.756 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.222 -11.138 -7.594 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.756 -10.121 -6.270 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.248 -10.651 -8.874 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.477 -9.152 -8.396 1.00 0.00 H new ATOM 572 N PHE A 36 6.083 -13.742 -6.028 1.00 0.00 N ATOM 573 CA PHE A 36 4.978 -14.373 -5.304 1.00 0.00 C ATOM 574 C PHE A 36 5.084 -15.905 -5.220 1.00 0.00 C ATOM 575 O PHE A 36 4.389 -16.610 -5.957 1.00 0.00 O ATOM 576 CB PHE A 36 3.664 -13.925 -5.959 1.00 0.00 C ATOM 577 CG PHE A 36 3.510 -12.412 -6.046 1.00 0.00 C ATOM 578 CD1 PHE A 36 3.805 -11.604 -4.930 1.00 0.00 C ATOM 579 CD2 PHE A 36 3.258 -11.799 -7.286 1.00 0.00 C ATOM 580 CE1 PHE A 36 4.020 -10.226 -5.093 1.00 0.00 C ATOM 581 CE2 PHE A 36 3.432 -10.414 -7.445 1.00 0.00 C ATOM 582 CZ PHE A 36 3.878 -9.641 -6.362 1.00 0.00 C ATOM 0 H PHE A 36 6.217 -14.103 -6.972 1.00 0.00 H new ATOM 0 HA PHE A 36 5.017 -14.045 -4.265 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.606 -14.346 -6.963 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.828 -14.335 -5.393 1.00 0.00 H new ATOM 0 HD1 PHE A 36 3.866 -12.046 -3.946 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.928 -12.397 -8.122 1.00 0.00 H new ATOM 0 HE1 PHE A 36 4.294 -9.617 -4.244 1.00 0.00 H new ATOM 0 HE2 PHE A 36 3.224 -9.947 -8.396 1.00 0.00 H new ATOM 0 HZ PHE A 36 4.112 -8.596 -6.504 1.00 0.00 H new ATOM 726 N LEU A 46 -1.862 -22.240 -15.284 1.00 0.00 N ATOM 727 CA LEU A 46 -1.404 -20.909 -15.678 1.00 0.00 C ATOM 728 C LEU A 46 -2.272 -20.415 -16.829 1.00 0.00 C ATOM 729 O LEU A 46 -2.654 -19.254 -16.852 1.00 0.00 O ATOM 730 CB LEU A 46 0.064 -20.919 -16.137 1.00 0.00 C ATOM 731 CG LEU A 46 0.570 -19.523 -16.580 1.00 0.00 C ATOM 732 CD1 LEU A 46 0.894 -18.653 -15.359 1.00 0.00 C ATOM 733 CD2 LEU A 46 1.833 -19.692 -17.430 1.00 0.00 C ATOM 0 HA LEU A 46 -1.483 -20.253 -14.811 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.691 -21.285 -15.324 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.175 -21.619 -16.965 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.212 -19.034 -17.161 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.248 -17.677 -15.691 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.004 -18.527 -14.754 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.669 -19.136 -14.763 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.194 -18.713 -17.745 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.603 -20.191 -16.842 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.602 -20.293 -18.309 1.00 0.00 H new ATOM 745 N ASP A 47 -2.586 -21.295 -17.783 1.00 0.00 N ATOM 746 CA ASP A 47 -3.442 -20.949 -18.901 1.00 0.00 C ATOM 747 C ASP A 47 -4.773 -20.370 -18.413 1.00 0.00 C ATOM 748 O ASP A 47 -5.168 -19.288 -18.835 1.00 0.00 O ATOM 749 CB ASP A 47 -3.658 -22.185 -19.774 1.00 0.00 C ATOM 750 CG ASP A 47 -4.540 -21.844 -20.969 1.00 0.00 C ATOM 751 OD1 ASP A 47 -4.048 -21.089 -21.835 1.00 0.00 O ATOM 752 OD2 ASP A 47 -5.690 -22.331 -20.983 1.00 0.00 O ATOM 0 H ASP A 47 -2.253 -22.259 -17.795 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.957 -20.177 -19.499 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -2.697 -22.566 -20.120 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.122 -22.977 -19.186 1.00 0.00 H new ATOM 757 N GLU A 48 -5.449 -21.083 -17.509 1.00 0.00 N ATOM 758 CA GLU A 48 -6.737 -20.675 -16.970 1.00 0.00 C ATOM 759 C GLU A 48 -6.588 -19.373 -16.181 1.00 0.00 C ATOM 760 O GLU A 48 -7.295 -18.400 -16.436 1.00 0.00 O ATOM 761 CB GLU A 48 -7.288 -21.810 -16.098 1.00 0.00 C ATOM 762 CG GLU A 48 -8.696 -21.512 -15.565 1.00 0.00 C ATOM 763 CD GLU A 48 -9.216 -22.668 -14.713 1.00 0.00 C ATOM 764 OE1 GLU A 48 -8.515 -23.010 -13.736 1.00 0.00 O ATOM 765 OE2 GLU A 48 -10.298 -23.191 -15.058 1.00 0.00 O ATOM 0 H GLU A 48 -5.110 -21.967 -17.131 1.00 0.00 H new ATOM 0 HA GLU A 48 -7.443 -20.483 -17.778 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -7.311 -22.732 -16.679 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -6.614 -21.979 -15.259 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.678 -20.598 -14.972 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -9.375 -21.337 -16.400 1.00 0.00 H new ATOM 772 N LEU A 49 -5.660 -19.358 -15.218 1.00 0.00 N ATOM 773 CA LEU A 49 -5.373 -18.194 -14.395 1.00 0.00 C ATOM 774 C LEU A 49 -5.168 -16.982 -15.298 1.00 0.00 C ATOM 775 O LEU A 49 -5.887 -15.993 -15.186 1.00 0.00 O ATOM 776 CB LEU A 49 -4.141 -18.475 -13.518 1.00 0.00 C ATOM 777 CG LEU A 49 -3.652 -17.261 -12.708 1.00 0.00 C ATOM 778 CD1 LEU A 49 -4.732 -16.726 -11.762 1.00 0.00 C ATOM 779 CD2 LEU A 49 -2.416 -17.663 -11.895 1.00 0.00 C ATOM 0 H LEU A 49 -5.083 -20.168 -14.991 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.209 -17.980 -13.729 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.377 -19.286 -12.829 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.328 -18.824 -14.155 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.407 -16.466 -13.412 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.342 -15.870 -11.211 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.603 -16.419 -12.341 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.021 -17.508 -11.060 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.065 -16.807 -11.319 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.675 -18.475 -11.216 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.627 -17.993 -12.571 1.00 0.00 H new ATOM 791 N PHE A 50 -4.209 -17.082 -16.219 1.00 0.00 N ATOM 792 CA PHE A 50 -3.918 -16.053 -17.196 1.00 0.00 C ATOM 793 C PHE A 50 -5.166 -15.665 -17.985 1.00 0.00 C ATOM 794 O PHE A 50 -5.418 -14.483 -18.159 1.00 0.00 O ATOM 795 CB PHE A 50 -2.807 -16.521 -18.134 1.00 0.00 C ATOM 796 CG PHE A 50 -2.229 -15.403 -18.971 1.00 0.00 C ATOM 797 CD1 PHE A 50 -2.761 -15.095 -20.236 1.00 0.00 C ATOM 798 CD2 PHE A 50 -1.124 -14.683 -18.484 1.00 0.00 C ATOM 799 CE1 PHE A 50 -2.135 -14.129 -21.040 1.00 0.00 C ATOM 800 CE2 PHE A 50 -0.533 -13.684 -19.267 1.00 0.00 C ATOM 801 CZ PHE A 50 -1.028 -13.414 -20.549 1.00 0.00 C ATOM 0 H PHE A 50 -3.605 -17.900 -16.302 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.579 -15.164 -16.664 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.010 -16.976 -17.546 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -3.198 -17.296 -18.793 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.648 -15.600 -20.588 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.730 -14.901 -17.503 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.504 -13.935 -22.036 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.305 -13.121 -18.882 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.560 -12.657 -21.160 1.00 0.00 H new ATOM 811 N GLU A 51 -5.948 -16.633 -18.469 1.00 0.00 N ATOM 812 CA GLU A 51 -7.152 -16.339 -19.237 1.00 0.00 C ATOM 813 C GLU A 51 -8.122 -15.471 -18.428 1.00 0.00 C ATOM 814 O GLU A 51 -8.685 -14.509 -18.946 1.00 0.00 O ATOM 815 CB GLU A 51 -7.799 -17.650 -19.703 1.00 0.00 C ATOM 816 CG GLU A 51 -8.991 -17.417 -20.640 1.00 0.00 C ATOM 817 CD GLU A 51 -9.575 -18.739 -21.129 1.00 0.00 C ATOM 818 OE1 GLU A 51 -9.978 -19.538 -20.255 1.00 0.00 O ATOM 819 OE2 GLU A 51 -9.604 -18.931 -22.363 1.00 0.00 O ATOM 0 H GLU A 51 -5.765 -17.628 -18.340 1.00 0.00 H new ATOM 0 HA GLU A 51 -6.882 -15.762 -20.122 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.053 -18.258 -20.214 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.130 -18.217 -18.833 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.760 -16.847 -20.119 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.674 -16.818 -21.494 1.00 0.00 H new ATOM 826 N GLU A 52 -8.319 -15.817 -17.155 1.00 0.00 N ATOM 827 CA GLU A 52 -9.270 -15.118 -16.299 1.00 0.00 C ATOM 828 C GLU A 52 -8.731 -13.738 -15.930 1.00 0.00 C ATOM 829 O GLU A 52 -9.452 -12.745 -15.983 1.00 0.00 O ATOM 830 CB GLU A 52 -9.562 -15.955 -15.045 1.00 0.00 C ATOM 831 CG GLU A 52 -10.342 -17.238 -15.375 1.00 0.00 C ATOM 832 CD GLU A 52 -11.715 -16.952 -15.979 1.00 0.00 C ATOM 833 OE1 GLU A 52 -12.415 -16.080 -15.418 1.00 0.00 O ATOM 834 OE2 GLU A 52 -12.040 -17.609 -16.993 1.00 0.00 O ATOM 0 H GLU A 52 -7.827 -16.583 -16.694 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.206 -14.980 -16.840 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.623 -16.217 -14.558 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -10.133 -15.357 -14.335 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -9.761 -17.843 -16.072 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -10.465 -17.828 -14.467 1.00 0.00 H new ATOM 841 N LEU A 53 -7.459 -13.694 -15.539 1.00 0.00 N ATOM 842 CA LEU A 53 -6.725 -12.487 -15.197 1.00 0.00 C ATOM 843 C LEU A 53 -6.782 -11.515 -16.380 1.00 0.00 C ATOM 844 O LEU A 53 -7.273 -10.392 -16.271 1.00 0.00 O ATOM 845 CB LEU A 53 -5.288 -12.930 -14.873 1.00 0.00 C ATOM 846 CG LEU A 53 -4.369 -11.920 -14.180 1.00 0.00 C ATOM 847 CD1 LEU A 53 -2.974 -12.562 -14.116 1.00 0.00 C ATOM 848 CD2 LEU A 53 -4.287 -10.561 -14.870 1.00 0.00 C ATOM 0 H LEU A 53 -6.891 -14.537 -15.449 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.147 -11.965 -14.338 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.345 -13.818 -14.243 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.812 -13.231 -15.806 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.782 -11.706 -13.194 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.280 -11.877 -13.628 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.027 -13.491 -13.548 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.624 -12.774 -15.126 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.615 -9.909 -14.312 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.908 -10.690 -15.884 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.279 -10.112 -14.908 1.00 0.00 H new ATOM 860 N ASP A 54 -6.273 -11.960 -17.526 1.00 0.00 N ATOM 861 CA ASP A 54 -6.087 -11.179 -18.736 1.00 0.00 C ATOM 862 C ASP A 54 -7.405 -11.061 -19.508 1.00 0.00 C ATOM 863 O ASP A 54 -7.445 -11.281 -20.718 1.00 0.00 O ATOM 864 CB ASP A 54 -5.026 -11.878 -19.601 1.00 0.00 C ATOM 865 CG ASP A 54 -4.438 -10.969 -20.672 1.00 0.00 C ATOM 866 OD1 ASP A 54 -4.879 -9.806 -20.758 1.00 0.00 O ATOM 867 OD2 ASP A 54 -3.553 -11.459 -21.404 1.00 0.00 O ATOM 0 H ASP A 54 -5.965 -12.926 -17.637 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.759 -10.172 -18.479 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -4.223 -12.240 -18.959 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.472 -12.751 -20.078 1.00 0.00 H new ATOM 872 N LYS A 55 -8.487 -10.721 -18.810 1.00 0.00 N ATOM 873 CA LYS A 55 -9.841 -10.819 -19.337 1.00 0.00 C ATOM 874 C LYS A 55 -10.051 -10.024 -20.631 1.00 0.00 C ATOM 875 O LYS A 55 -10.832 -10.441 -21.484 1.00 0.00 O ATOM 876 CB LYS A 55 -10.843 -10.423 -18.243 1.00 0.00 C ATOM 877 CG LYS A 55 -12.210 -11.073 -18.496 1.00 0.00 C ATOM 878 CD LYS A 55 -13.229 -10.773 -17.386 1.00 0.00 C ATOM 879 CE LYS A 55 -12.798 -11.243 -15.987 1.00 0.00 C ATOM 880 NZ LYS A 55 -12.344 -12.646 -15.976 1.00 0.00 N ATOM 0 H LYS A 55 -8.445 -10.367 -17.854 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.014 -11.857 -19.620 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.464 -10.730 -17.268 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.950 -9.339 -18.217 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -12.604 -10.720 -19.449 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -12.083 -12.152 -18.584 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -13.410 -9.699 -17.356 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -14.176 -11.249 -17.640 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -11.995 -10.602 -15.624 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -13.633 -11.130 -15.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -12.651 -13.103 -15.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -12.754 -13.150 -16.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.306 -12.676 -16.038 1.00 0.00 H new ATOM 923 N GLY A 59 -3.770 -12.369 -24.001 1.00 0.00 N ATOM 924 CA GLY A 59 -2.533 -12.483 -24.752 1.00 0.00 C ATOM 925 C GLY A 59 -1.394 -11.888 -23.931 1.00 0.00 C ATOM 926 O GLY A 59 -0.429 -12.582 -23.611 1.00 0.00 O ATOM 0 HA2 GLY A 59 -2.326 -13.529 -24.979 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.622 -11.961 -25.705 1.00 0.00 H new ATOM 930 N GLU A 60 -1.533 -10.611 -23.558 1.00 0.00 N ATOM 931 CA GLU A 60 -0.635 -9.917 -22.648 1.00 0.00 C ATOM 932 C GLU A 60 -1.476 -9.179 -21.600 1.00 0.00 C ATOM 933 O GLU A 60 -2.478 -8.559 -21.944 1.00 0.00 O ATOM 934 CB GLU A 60 0.279 -8.945 -23.410 1.00 0.00 C ATOM 935 CG GLU A 60 1.172 -9.604 -24.473 1.00 0.00 C ATOM 936 CD GLU A 60 0.432 -9.978 -25.755 1.00 0.00 C ATOM 937 OE1 GLU A 60 -0.335 -9.122 -26.245 1.00 0.00 O ATOM 938 OE2 GLU A 60 0.647 -11.116 -26.225 1.00 0.00 O ATOM 0 H GLU A 60 -2.295 -10.022 -23.893 1.00 0.00 H new ATOM 0 HA GLU A 60 0.013 -10.639 -22.151 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.340 -8.189 -23.893 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.914 -8.426 -22.692 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.988 -8.925 -24.721 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.622 -10.502 -24.050 1.00 0.00 H new ATOM 945 N VAL A 61 -1.052 -9.227 -20.335 1.00 0.00 N ATOM 946 CA VAL A 61 -1.738 -8.665 -19.180 1.00 0.00 C ATOM 947 C VAL A 61 -1.295 -7.214 -19.010 1.00 0.00 C ATOM 948 O VAL A 61 -0.124 -6.964 -18.723 1.00 0.00 O ATOM 949 CB VAL A 61 -1.372 -9.506 -17.938 1.00 0.00 C ATOM 950 CG1 VAL A 61 -1.783 -8.850 -16.613 1.00 0.00 C ATOM 951 CG2 VAL A 61 -2.055 -10.868 -18.024 1.00 0.00 C ATOM 0 H VAL A 61 -0.176 -9.683 -20.081 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.820 -8.686 -19.313 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.286 -9.597 -17.941 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.495 -9.495 -15.783 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.283 -7.886 -16.514 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.863 -8.702 -16.600 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.796 -11.461 -17.147 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.136 -10.731 -18.063 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.722 -11.386 -18.923 1.00 0.00 H new ATOM 961 N SER A 62 -2.220 -6.267 -19.182 1.00 0.00 N ATOM 962 CA SER A 62 -1.994 -4.853 -18.902 1.00 0.00 C ATOM 963 C SER A 62 -2.034 -4.592 -17.399 1.00 0.00 C ATOM 964 O SER A 62 -2.590 -5.394 -16.653 1.00 0.00 O ATOM 965 CB SER A 62 -3.020 -4.017 -19.675 1.00 0.00 C ATOM 966 OG SER A 62 -4.327 -4.321 -19.226 1.00 0.00 O ATOM 0 H SER A 62 -3.160 -6.467 -19.525 1.00 0.00 H new ATOM 0 HA SER A 62 -1.000 -4.558 -19.239 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.816 -2.955 -19.535 1.00 0.00 H new ATOM 0 HB3 SER A 62 -2.937 -4.220 -20.743 1.00 0.00 H new ATOM 0 HG SER A 62 -4.583 -5.212 -19.543 1.00 0.00 H new ATOM 972 N PHE A 63 -1.451 -3.480 -16.939 1.00 0.00 N ATOM 973 CA PHE A 63 -1.413 -3.157 -15.512 1.00 0.00 C ATOM 974 C PHE A 63 -2.822 -3.143 -14.910 1.00 0.00 C ATOM 975 O PHE A 63 -3.034 -3.528 -13.760 1.00 0.00 O ATOM 976 CB PHE A 63 -0.705 -1.818 -15.263 1.00 0.00 C ATOM 977 CG PHE A 63 -0.484 -1.521 -13.789 1.00 0.00 C ATOM 978 CD1 PHE A 63 0.229 -2.435 -12.990 1.00 0.00 C ATOM 979 CD2 PHE A 63 -1.063 -0.384 -13.194 1.00 0.00 C ATOM 980 CE1 PHE A 63 0.294 -2.259 -11.598 1.00 0.00 C ATOM 981 CE2 PHE A 63 -0.964 -0.188 -11.805 1.00 0.00 C ATOM 982 CZ PHE A 63 -0.302 -1.134 -11.004 1.00 0.00 C ATOM 0 H PHE A 63 -0.999 -2.788 -17.537 1.00 0.00 H new ATOM 0 HA PHE A 63 -0.840 -3.939 -15.015 1.00 0.00 H new ATOM 0 HB2 PHE A 63 0.258 -1.823 -15.774 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -1.296 -1.015 -15.704 1.00 0.00 H new ATOM 0 HD1 PHE A 63 0.728 -3.275 -13.449 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -1.584 0.338 -13.805 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.802 -2.988 -10.984 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -1.398 0.692 -11.353 1.00 0.00 H new ATOM 0 HZ PHE A 63 -0.252 -0.996 -9.934 1.00 0.00 H new ATOM 992 N GLU A 64 -3.801 -2.705 -15.698 1.00 0.00 N ATOM 993 CA GLU A 64 -5.210 -2.738 -15.342 1.00 0.00 C ATOM 994 C GLU A 64 -5.623 -4.149 -14.938 1.00 0.00 C ATOM 995 O GLU A 64 -6.226 -4.356 -13.888 1.00 0.00 O ATOM 996 CB GLU A 64 -6.067 -2.222 -16.511 1.00 0.00 C ATOM 997 CG GLU A 64 -5.646 -0.831 -17.017 1.00 0.00 C ATOM 998 CD GLU A 64 -4.623 -0.895 -18.153 1.00 0.00 C ATOM 999 OE1 GLU A 64 -3.423 -1.048 -17.835 1.00 0.00 O ATOM 1000 OE2 GLU A 64 -5.058 -0.802 -19.320 1.00 0.00 O ATOM 0 H GLU A 64 -3.629 -2.309 -16.622 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.373 -2.082 -14.487 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.007 -2.933 -17.335 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.110 -2.185 -16.197 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.529 -0.292 -17.360 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.226 -0.260 -16.189 1.00 0.00 H new ATOM 1007 N GLU A 65 -5.272 -5.126 -15.769 1.00 0.00 N ATOM 1008 CA GLU A 65 -5.593 -6.516 -15.510 1.00 0.00 C ATOM 1009 C GLU A 65 -4.725 -7.026 -14.358 1.00 0.00 C ATOM 1010 O GLU A 65 -5.205 -7.723 -13.471 1.00 0.00 O ATOM 1011 CB GLU A 65 -5.403 -7.306 -16.805 1.00 0.00 C ATOM 1012 CG GLU A 65 -6.415 -6.825 -17.855 1.00 0.00 C ATOM 1013 CD GLU A 65 -6.062 -7.325 -19.244 1.00 0.00 C ATOM 1014 OE1 GLU A 65 -4.971 -6.939 -19.721 1.00 0.00 O ATOM 1015 OE2 GLU A 65 -6.902 -8.059 -19.807 1.00 0.00 O ATOM 0 H GLU A 65 -4.759 -4.972 -16.637 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.631 -6.639 -15.200 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.387 -7.174 -17.177 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -5.538 -8.371 -16.616 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -7.412 -7.173 -17.585 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.447 -5.735 -17.857 1.00 0.00 H new ATOM 1022 N PHE A 66 -3.451 -6.635 -14.332 1.00 0.00 N ATOM 1023 CA PHE A 66 -2.533 -7.021 -13.271 1.00 0.00 C ATOM 1024 C PHE A 66 -3.095 -6.632 -11.907 1.00 0.00 C ATOM 1025 O PHE A 66 -3.036 -7.420 -10.973 1.00 0.00 O ATOM 1026 CB PHE A 66 -1.153 -6.403 -13.489 1.00 0.00 C ATOM 1027 CG PHE A 66 -0.087 -6.990 -12.588 1.00 0.00 C ATOM 1028 CD1 PHE A 66 0.475 -8.247 -12.883 1.00 0.00 C ATOM 1029 CD2 PHE A 66 0.354 -6.280 -11.456 1.00 0.00 C ATOM 1030 CE1 PHE A 66 1.505 -8.764 -12.080 1.00 0.00 C ATOM 1031 CE2 PHE A 66 1.413 -6.780 -10.681 1.00 0.00 C ATOM 1032 CZ PHE A 66 2.001 -8.013 -11.002 1.00 0.00 C ATOM 0 H PHE A 66 -3.030 -6.042 -15.048 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.421 -8.105 -13.297 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.859 -6.545 -14.529 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.212 -5.328 -13.318 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.114 -8.814 -13.728 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.122 -5.350 -11.183 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.916 -9.740 -12.292 1.00 0.00 H new ATOM 0 HE2 PHE A 66 1.776 -6.214 -9.836 1.00 0.00 H new ATOM 0 HZ PHE A 66 2.833 -8.383 -10.421 1.00 0.00 H new ATOM 1042 N GLN A 67 -3.684 -5.445 -11.779 1.00 0.00 N ATOM 1043 CA GLN A 67 -4.314 -5.041 -10.528 1.00 0.00 C ATOM 1044 C GLN A 67 -5.412 -6.022 -10.082 1.00 0.00 C ATOM 1045 O GLN A 67 -5.585 -6.244 -8.883 1.00 0.00 O ATOM 1046 CB GLN A 67 -4.810 -3.597 -10.633 1.00 0.00 C ATOM 1047 CG GLN A 67 -3.614 -2.637 -10.565 1.00 0.00 C ATOM 1048 CD GLN A 67 -3.977 -1.267 -11.117 1.00 0.00 C ATOM 1049 OE1 GLN A 67 -4.180 -0.312 -10.375 1.00 0.00 O ATOM 1050 NE2 GLN A 67 -4.056 -1.171 -12.438 1.00 0.00 N ATOM 0 H GLN A 67 -3.737 -4.750 -12.524 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.563 -5.077 -9.739 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -5.351 -3.455 -11.568 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -5.509 -3.382 -9.825 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -3.281 -2.539 -9.532 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -2.779 -3.051 -11.131 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.880 -1.990 -13.020 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -4.293 -0.278 -12.871 1.00 0.00 H new ATOM 1059 N VAL A 68 -6.114 -6.666 -11.022 1.00 0.00 N ATOM 1060 CA VAL A 68 -7.048 -7.742 -10.682 1.00 0.00 C ATOM 1061 C VAL A 68 -6.307 -8.935 -10.054 1.00 0.00 C ATOM 1062 O VAL A 68 -6.870 -9.653 -9.232 1.00 0.00 O ATOM 1063 CB VAL A 68 -7.900 -8.161 -11.898 1.00 0.00 C ATOM 1064 CG1 VAL A 68 -8.984 -9.162 -11.481 1.00 0.00 C ATOM 1065 CG2 VAL A 68 -8.581 -6.946 -12.545 1.00 0.00 C ATOM 0 H VAL A 68 -6.053 -6.461 -12.019 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.742 -7.360 -9.933 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.225 -8.623 -12.619 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -9.573 -9.444 -12.353 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.515 -10.050 -11.057 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.635 -8.704 -10.736 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.174 -7.273 -13.399 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.231 -6.462 -11.816 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.822 -6.239 -12.880 1.00 0.00 H new ATOM 1075 N LEU A 69 -5.038 -9.149 -10.404 1.00 0.00 N ATOM 1076 CA LEU A 69 -4.180 -10.106 -9.718 1.00 0.00 C ATOM 1077 C LEU A 69 -3.778 -9.516 -8.355 1.00 0.00 C ATOM 1078 O LEU A 69 -3.867 -10.191 -7.331 1.00 0.00 O ATOM 1079 CB LEU A 69 -2.984 -10.450 -10.629 1.00 0.00 C ATOM 1080 CG LEU A 69 -2.263 -11.787 -10.383 1.00 0.00 C ATOM 1081 CD1 LEU A 69 -1.469 -11.783 -9.080 1.00 0.00 C ATOM 1082 CD2 LEU A 69 -3.192 -13.008 -10.426 1.00 0.00 C ATOM 0 H LEU A 69 -4.579 -8.661 -11.173 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.695 -11.045 -9.516 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.335 -10.442 -11.661 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.250 -9.650 -10.536 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.569 -11.882 -11.218 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.978 -12.747 -8.950 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.717 -10.995 -9.115 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.144 -11.604 -8.243 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.612 -13.913 -10.244 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.960 -12.908 -9.659 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.665 -13.071 -11.406 1.00 0.00 H new ATOM 1094 N VAL A 70 -3.378 -8.240 -8.313 1.00 0.00 N ATOM 1095 CA VAL A 70 -2.951 -7.582 -7.076 1.00 0.00 C ATOM 1096 C VAL A 70 -4.012 -7.693 -5.979 1.00 0.00 C ATOM 1097 O VAL A 70 -3.687 -8.022 -4.841 1.00 0.00 O ATOM 1098 CB VAL A 70 -2.530 -6.118 -7.297 1.00 0.00 C ATOM 1099 CG1 VAL A 70 -2.160 -5.444 -5.968 1.00 0.00 C ATOM 1100 CG2 VAL A 70 -1.323 -6.034 -8.244 1.00 0.00 C ATOM 0 H VAL A 70 -3.342 -7.637 -9.135 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.064 -8.117 -6.738 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.381 -5.601 -7.741 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.866 -4.411 -6.153 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.020 -5.462 -5.299 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.330 -5.980 -5.507 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.043 -4.990 -8.385 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.484 -6.579 -7.813 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.585 -6.473 -9.207 1.00 0.00 H new