USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 555 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 12 CYS SG : rot 180:sc= -0.927 USER MOD Single : A 15 LYS NZ :NH3+ 156:sc= 0.0875 (180deg=-0.029) USER MOD Single : A 17 GLN :FLIP amide:sc= -2.31 F(o=-3.1,f=-2.3) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 157:sc= -0.868 (180deg=-1.71!) USER MOD Single : A 57 GLN : amide:sc= -1.58 K(o=-1.6,f=-6!) USER MOD Single : A 60 THR OG1 : rot 29:sc= 0.313 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.003) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.459 X(o=-0.46,f=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 CYS SG : rot -126:sc= -1.82 USER MOD Single : A 76 CYS SG : rot -120:sc= -1.89 USER MOD Single : A 84 LYS NZ :NH3+ -147:sc= -0.302 (180deg=-1.48!) USER MOD ----------------------------------------------------------------- ATOM 68 N ILE A 8 9.767 0.950 4.294 1.00 0.00 N ATOM 69 CA ILE A 8 8.596 1.616 4.850 1.00 0.00 C ATOM 70 C ILE A 8 7.617 0.606 5.440 1.00 0.00 C ATOM 71 O ILE A 8 7.597 -0.559 5.041 1.00 0.00 O ATOM 72 CB ILE A 8 7.867 2.458 3.785 1.00 0.00 C ATOM 73 CG1 ILE A 8 8.864 3.336 3.027 1.00 0.00 C ATOM 74 CG2 ILE A 8 6.786 3.310 4.431 1.00 0.00 C ATOM 75 CD1 ILE A 8 8.276 3.993 1.797 1.00 0.00 C ATOM 0 HA ILE A 8 8.955 2.276 5.640 1.00 0.00 H new ATOM 0 HB ILE A 8 7.392 1.783 3.073 1.00 0.00 H new ATOM 0 HG12 ILE A 8 9.239 4.109 3.698 1.00 0.00 H new ATOM 0 HG13 ILE A 8 9.719 2.729 2.731 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.281 3.899 3.665 1.00 0.00 H new ATOM 0 HG22 ILE A 8 6.063 2.664 4.929 1.00 0.00 H new ATOM 0 HG23 ILE A 8 7.239 3.979 5.163 1.00 0.00 H new ATOM 0 HD11 ILE A 8 9.039 4.600 1.309 1.00 0.00 H new ATOM 0 HD12 ILE A 8 7.927 3.225 1.106 1.00 0.00 H new ATOM 0 HD13 ILE A 8 7.439 4.627 2.088 1.00 0.00 H new ATOM 87 N ASP A 9 6.808 1.059 6.391 1.00 0.00 N ATOM 88 CA ASP A 9 5.826 0.194 7.035 1.00 0.00 C ATOM 89 C ASP A 9 4.644 1.006 7.557 1.00 0.00 C ATOM 90 O ASP A 9 4.502 2.187 7.239 1.00 0.00 O ATOM 91 CB ASP A 9 6.476 -0.581 8.183 1.00 0.00 C ATOM 92 CG ASP A 9 6.010 -2.023 8.244 1.00 0.00 C ATOM 93 OD1 ASP A 9 4.795 -2.247 8.429 1.00 0.00 O ATOM 94 OD2 ASP A 9 6.860 -2.928 8.105 1.00 0.00 O ATOM 0 H ASP A 9 6.813 2.020 6.733 1.00 0.00 H new ATOM 0 HA ASP A 9 5.456 -0.512 6.292 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.559 -0.557 8.066 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.246 -0.087 9.127 1.00 0.00 H new ATOM 99 N VAL A 10 3.799 0.366 8.358 1.00 0.00 N ATOM 100 CA VAL A 10 2.630 1.029 8.922 1.00 0.00 C ATOM 101 C VAL A 10 3.035 2.060 9.969 1.00 0.00 C ATOM 102 O VAL A 10 3.885 1.797 10.819 1.00 0.00 O ATOM 103 CB VAL A 10 1.663 0.015 9.562 1.00 0.00 C ATOM 104 CG1 VAL A 10 0.376 0.701 9.994 1.00 0.00 C ATOM 105 CG2 VAL A 10 1.369 -1.125 8.598 1.00 0.00 C ATOM 0 H VAL A 10 3.902 -0.611 8.631 1.00 0.00 H new ATOM 0 HA VAL A 10 2.123 1.532 8.098 1.00 0.00 H new ATOM 0 HB VAL A 10 2.140 -0.402 10.449 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.294 -0.032 10.444 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.605 1.478 10.723 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.107 1.149 9.125 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.684 -1.831 9.068 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.914 -0.727 7.691 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.298 -1.635 8.344 1.00 0.00 H new ATOM 115 N GLY A 11 2.420 3.236 9.900 1.00 0.00 N ATOM 116 CA GLY A 11 2.727 4.291 10.847 1.00 0.00 C ATOM 117 C GLY A 11 3.988 5.048 10.480 1.00 0.00 C ATOM 118 O GLY A 11 4.842 5.296 11.334 1.00 0.00 O ATOM 0 H GLY A 11 1.714 3.477 9.204 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.890 4.987 10.895 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.841 3.861 11.842 1.00 0.00 H new ATOM 122 N CYS A 12 4.109 5.417 9.210 1.00 0.00 N ATOM 123 CA CYS A 12 5.278 6.150 8.736 1.00 0.00 C ATOM 124 C CYS A 12 4.891 7.157 7.655 1.00 0.00 C ATOM 125 O CYS A 12 4.095 6.851 6.768 1.00 0.00 O ATOM 126 CB CYS A 12 6.327 5.178 8.192 1.00 0.00 C ATOM 127 SG CYS A 12 8.032 5.636 8.584 1.00 0.00 S ATOM 0 H CYS A 12 3.413 5.221 8.490 1.00 0.00 H new ATOM 0 HA CYS A 12 5.700 6.696 9.580 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.128 4.184 8.593 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.219 5.113 7.109 1.00 0.00 H new ATOM 0 HG CYS A 12 8.844 4.753 8.084 1.00 0.00 H new ATOM 133 N PRO A 13 5.451 8.381 7.714 1.00 0.00 N ATOM 134 CA PRO A 13 5.157 9.428 6.734 1.00 0.00 C ATOM 135 C PRO A 13 5.888 9.208 5.412 1.00 0.00 C ATOM 136 O PRO A 13 7.117 9.200 5.366 1.00 0.00 O ATOM 137 CB PRO A 13 5.666 10.694 7.420 1.00 0.00 C ATOM 138 CG PRO A 13 6.783 10.226 8.286 1.00 0.00 C ATOM 139 CD PRO A 13 6.412 8.837 8.738 1.00 0.00 C ATOM 0 HA PRO A 13 4.100 9.460 6.470 1.00 0.00 H new ATOM 0 HB2 PRO A 13 6.009 11.429 6.692 1.00 0.00 H new ATOM 0 HB3 PRO A 13 4.881 11.170 8.008 1.00 0.00 H new ATOM 0 HG2 PRO A 13 7.724 10.218 7.736 1.00 0.00 H new ATOM 0 HG3 PRO A 13 6.918 10.890 9.140 1.00 0.00 H new ATOM 0 HD2 PRO A 13 7.284 8.185 8.787 1.00 0.00 H new ATOM 0 HD3 PRO A 13 5.964 8.845 9.732 1.00 0.00 H new ATOM 147 N VAL A 14 5.122 9.028 4.341 1.00 0.00 N ATOM 148 CA VAL A 14 5.697 8.807 3.020 1.00 0.00 C ATOM 149 C VAL A 14 4.823 9.415 1.930 1.00 0.00 C ATOM 150 O VAL A 14 3.596 9.313 1.974 1.00 0.00 O ATOM 151 CB VAL A 14 5.886 7.306 2.733 1.00 0.00 C ATOM 152 CG1 VAL A 14 6.939 6.712 3.655 1.00 0.00 C ATOM 153 CG2 VAL A 14 4.565 6.566 2.873 1.00 0.00 C ATOM 0 H VAL A 14 4.102 9.031 4.362 1.00 0.00 H new ATOM 0 HA VAL A 14 6.671 9.296 3.015 1.00 0.00 H new ATOM 0 HB VAL A 14 6.233 7.193 1.706 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.057 5.651 3.436 1.00 0.00 H new ATOM 0 HG12 VAL A 14 7.889 7.223 3.499 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.626 6.836 4.692 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.718 5.507 2.667 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.186 6.687 3.888 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.843 6.973 2.165 1.00 0.00 H new ATOM 163 N LYS A 15 5.462 10.049 0.951 1.00 0.00 N ATOM 164 CA LYS A 15 4.742 10.675 -0.151 1.00 0.00 C ATOM 165 C LYS A 15 4.268 9.631 -1.156 1.00 0.00 C ATOM 166 O LYS A 15 5.046 8.789 -1.606 1.00 0.00 O ATOM 167 CB LYS A 15 5.632 11.705 -0.850 1.00 0.00 C ATOM 168 CG LYS A 15 6.169 12.778 0.084 1.00 0.00 C ATOM 169 CD LYS A 15 6.998 13.808 -0.667 1.00 0.00 C ATOM 170 CE LYS A 15 6.559 15.227 -0.339 1.00 0.00 C ATOM 171 NZ LYS A 15 5.603 15.759 -1.347 1.00 0.00 N ATOM 0 H LYS A 15 6.476 10.142 0.899 1.00 0.00 H new ATOM 0 HA LYS A 15 3.868 11.179 0.261 1.00 0.00 H new ATOM 0 HB2 LYS A 15 6.471 11.190 -1.319 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.064 12.181 -1.649 1.00 0.00 H new ATOM 0 HG2 LYS A 15 5.338 13.274 0.586 1.00 0.00 H new ATOM 0 HG3 LYS A 15 6.779 12.315 0.860 1.00 0.00 H new ATOM 0 HD2 LYS A 15 8.051 13.684 -0.413 1.00 0.00 H new ATOM 0 HD3 LYS A 15 6.907 13.637 -1.740 1.00 0.00 H new ATOM 0 HE2 LYS A 15 6.094 15.244 0.647 1.00 0.00 H new ATOM 0 HE3 LYS A 15 7.434 15.876 -0.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 5.028 16.511 -0.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 6.131 16.146 -2.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 4.981 14.992 -1.674 1.00 0.00 H new ATOM 185 N VAL A 16 2.987 9.693 -1.506 1.00 0.00 N ATOM 186 CA VAL A 16 2.408 8.753 -2.459 1.00 0.00 C ATOM 187 C VAL A 16 2.161 9.423 -3.806 1.00 0.00 C ATOM 188 O VAL A 16 1.531 10.479 -3.878 1.00 0.00 O ATOM 189 CB VAL A 16 1.081 8.168 -1.938 1.00 0.00 C ATOM 190 CG1 VAL A 16 0.586 7.064 -2.859 1.00 0.00 C ATOM 191 CG2 VAL A 16 1.244 7.653 -0.514 1.00 0.00 C ATOM 0 H VAL A 16 2.330 10.384 -1.144 1.00 0.00 H new ATOM 0 HA VAL A 16 3.127 7.944 -2.583 1.00 0.00 H new ATOM 0 HB VAL A 16 0.335 8.963 -1.928 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.352 6.663 -2.475 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.426 7.469 -3.858 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.329 6.268 -2.905 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.296 7.244 -0.164 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.005 6.873 -0.494 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.548 8.473 0.137 1.00 0.00 H new ATOM 201 N GLN A 17 2.660 8.805 -4.870 1.00 0.00 N ATOM 202 CA GLN A 17 2.493 9.343 -6.215 1.00 0.00 C ATOM 203 C GLN A 17 1.319 8.677 -6.926 1.00 0.00 C ATOM 204 O GLN A 17 1.380 7.500 -7.277 1.00 0.00 O ATOM 205 CB GLN A 17 3.772 9.149 -7.029 1.00 0.00 C ATOM 206 CG GLN A 17 3.839 10.019 -8.274 1.00 0.00 C ATOM 207 CD GLN A 17 5.245 10.128 -8.834 1.00 0.00 C ATOM 208 OE1 GLN A 17 5.848 11.303 -8.689 1.00 0.00 O flip ATOM 209 NE2 GLN A 17 5.781 9.170 -9.389 1.00 0.00 N flip ATOM 0 H GLN A 17 3.184 7.931 -4.828 1.00 0.00 H new ATOM 0 HA GLN A 17 2.285 10.409 -6.128 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.632 9.368 -6.396 1.00 0.00 H new ATOM 0 HB3 GLN A 17 3.851 8.102 -7.323 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.179 9.607 -9.037 1.00 0.00 H new ATOM 0 HG3 GLN A 17 3.468 11.016 -8.037 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.280 8.286 -9.478 1.00 0.00 H new ATOM 0 HE22 GLN A 17 6.727 9.259 -9.760 1.00 0.00 H new ATOM 218 N LEU A 18 0.250 9.440 -7.135 1.00 0.00 N ATOM 219 CA LEU A 18 -0.938 8.924 -7.804 1.00 0.00 C ATOM 220 C LEU A 18 -0.754 8.931 -9.319 1.00 0.00 C ATOM 221 O LEU A 18 -1.074 7.955 -9.997 1.00 0.00 O ATOM 222 CB LEU A 18 -2.165 9.755 -7.423 1.00 0.00 C ATOM 223 CG LEU A 18 -2.583 9.658 -5.955 1.00 0.00 C ATOM 224 CD1 LEU A 18 -3.783 10.552 -5.682 1.00 0.00 C ATOM 225 CD2 LEU A 18 -2.894 8.216 -5.586 1.00 0.00 C ATOM 0 H LEU A 18 0.183 10.417 -6.851 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.090 7.895 -7.479 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.965 10.800 -7.659 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.004 9.443 -8.045 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.754 10.000 -5.336 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.066 10.470 -4.633 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.525 11.587 -5.909 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.619 10.241 -6.309 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.190 8.164 -4.538 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.707 7.848 -6.211 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.008 7.601 -5.744 1.00 0.00 H new ATOM 237 N ARG A 19 -0.239 10.038 -9.842 1.00 0.00 N ATOM 238 CA ARG A 19 -0.011 10.172 -11.275 1.00 0.00 C ATOM 239 C ARG A 19 1.304 9.516 -11.682 1.00 0.00 C ATOM 240 O ARG A 19 1.969 8.878 -10.866 1.00 0.00 O ATOM 241 CB ARG A 19 -0.002 11.649 -11.675 1.00 0.00 C ATOM 242 CG ARG A 19 -0.645 11.917 -13.026 1.00 0.00 C ATOM 243 CD ARG A 19 -2.027 12.533 -12.875 1.00 0.00 C ATOM 244 NE ARG A 19 -2.902 12.195 -13.994 1.00 0.00 N ATOM 245 CZ ARG A 19 -3.460 10.998 -14.164 1.00 0.00 C ATOM 246 NH1 ARG A 19 -3.237 10.024 -13.290 1.00 0.00 N ATOM 247 NH2 ARG A 19 -4.244 10.775 -15.210 1.00 0.00 N ATOM 0 H ARG A 19 0.028 10.856 -9.294 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.824 9.666 -11.795 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -0.524 12.227 -10.912 1.00 0.00 H new ATOM 0 HB3 ARG A 19 1.028 12.005 -11.695 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -0.009 12.586 -13.606 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -0.721 10.984 -13.585 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -2.478 12.188 -11.945 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -1.935 13.617 -12.801 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.097 12.918 -14.686 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -2.636 10.191 -12.483 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -3.667 9.109 -13.425 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.419 11.520 -15.884 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.672 9.858 -15.341 1.00 0.00 H new ATOM 261 N SER A 20 1.674 9.678 -12.948 1.00 0.00 N ATOM 262 CA SER A 20 2.910 9.101 -13.462 1.00 0.00 C ATOM 263 C SER A 20 4.055 10.106 -13.375 1.00 0.00 C ATOM 264 O SER A 20 4.356 10.804 -14.344 1.00 0.00 O ATOM 265 CB SER A 20 2.723 8.646 -14.912 1.00 0.00 C ATOM 266 OG SER A 20 2.527 7.244 -14.985 1.00 0.00 O ATOM 0 H SER A 20 1.136 10.204 -13.636 1.00 0.00 H new ATOM 0 HA SER A 20 3.161 8.236 -12.848 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.867 9.159 -15.350 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.597 8.925 -15.500 1.00 0.00 H new ATOM 0 HG SER A 20 2.408 6.979 -15.921 1.00 0.00 H new ATOM 272 N GLY A 21 4.687 10.176 -12.209 1.00 0.00 N ATOM 273 CA GLY A 21 5.789 11.099 -12.016 1.00 0.00 C ATOM 274 C GLY A 21 5.370 12.546 -12.179 1.00 0.00 C ATOM 275 O GLY A 21 5.944 13.280 -12.982 1.00 0.00 O ATOM 0 H GLY A 21 4.455 9.609 -11.393 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.208 10.956 -11.020 1.00 0.00 H new ATOM 0 HA3 GLY A 21 6.580 10.870 -12.731 1.00 0.00 H new ATOM 279 N GLU A 22 4.362 12.957 -11.415 1.00 0.00 N ATOM 280 CA GLU A 22 3.863 14.326 -11.478 1.00 0.00 C ATOM 281 C GLU A 22 4.056 15.038 -10.141 1.00 0.00 C ATOM 282 O GLU A 22 4.824 15.994 -10.042 1.00 0.00 O ATOM 283 CB GLU A 22 2.382 14.334 -11.863 1.00 0.00 C ATOM 284 CG GLU A 22 1.900 15.672 -12.399 1.00 0.00 C ATOM 285 CD GLU A 22 0.558 15.572 -13.095 1.00 0.00 C ATOM 286 OE1 GLU A 22 -0.470 15.480 -12.391 1.00 0.00 O ATOM 287 OE2 GLU A 22 0.533 15.585 -14.344 1.00 0.00 O ATOM 0 H GLU A 22 3.875 12.361 -10.745 1.00 0.00 H new ATOM 0 HA GLU A 22 4.433 14.859 -12.239 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.207 13.566 -12.616 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.787 14.066 -10.990 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.826 16.383 -11.576 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.638 16.067 -13.097 1.00 0.00 H new ATOM 294 N GLU A 23 3.354 14.563 -9.118 1.00 0.00 N ATOM 295 CA GLU A 23 3.449 15.152 -7.788 1.00 0.00 C ATOM 296 C GLU A 23 3.001 14.158 -6.720 1.00 0.00 C ATOM 297 O GLU A 23 1.880 13.650 -6.762 1.00 0.00 O ATOM 298 CB GLU A 23 2.600 16.423 -7.709 1.00 0.00 C ATOM 299 CG GLU A 23 3.409 17.703 -7.837 1.00 0.00 C ATOM 300 CD GLU A 23 2.700 18.763 -8.657 1.00 0.00 C ATOM 301 OE1 GLU A 23 1.624 19.228 -8.224 1.00 0.00 O ATOM 302 OE2 GLU A 23 3.219 19.128 -9.733 1.00 0.00 O ATOM 0 H GLU A 23 2.713 13.772 -9.185 1.00 0.00 H new ATOM 0 HA GLU A 23 4.492 15.409 -7.604 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.848 16.398 -8.498 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.065 16.434 -6.759 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.617 18.098 -6.842 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.371 17.476 -8.297 1.00 0.00 H new ATOM 309 N LYS A 24 3.884 13.883 -5.766 1.00 0.00 N ATOM 310 CA LYS A 24 3.580 12.949 -4.688 1.00 0.00 C ATOM 311 C LYS A 24 2.966 13.675 -3.496 1.00 0.00 C ATOM 312 O LYS A 24 3.338 14.806 -3.187 1.00 0.00 O ATOM 313 CB LYS A 24 4.846 12.209 -4.254 1.00 0.00 C ATOM 314 CG LYS A 24 5.687 11.707 -5.417 1.00 0.00 C ATOM 315 CD LYS A 24 6.506 10.488 -5.024 1.00 0.00 C ATOM 316 CE LYS A 24 7.245 9.906 -6.219 1.00 0.00 C ATOM 317 NZ LYS A 24 8.477 9.177 -5.810 1.00 0.00 N ATOM 0 H LYS A 24 4.816 14.294 -5.717 1.00 0.00 H new ATOM 0 HA LYS A 24 2.855 12.225 -5.061 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.452 12.874 -3.638 1.00 0.00 H new ATOM 0 HB3 LYS A 24 4.565 11.362 -3.628 1.00 0.00 H new ATOM 0 HG2 LYS A 24 5.038 11.456 -6.256 1.00 0.00 H new ATOM 0 HG3 LYS A 24 6.353 12.501 -5.756 1.00 0.00 H new ATOM 0 HD2 LYS A 24 7.223 10.764 -4.250 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.850 9.730 -4.596 1.00 0.00 H new ATOM 0 HE2 LYS A 24 6.584 9.228 -6.759 1.00 0.00 H new ATOM 0 HE3 LYS A 24 7.510 10.708 -6.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 8.734 8.489 -6.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 9.255 9.855 -5.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 8.303 8.677 -4.915 1.00 0.00 H new ATOM 331 N PHE A 25 2.024 13.015 -2.830 1.00 0.00 N ATOM 332 CA PHE A 25 1.357 13.597 -1.670 1.00 0.00 C ATOM 333 C PHE A 25 1.814 12.915 -0.380 1.00 0.00 C ATOM 334 O PHE A 25 1.769 11.690 -0.272 1.00 0.00 O ATOM 335 CB PHE A 25 -0.160 13.474 -1.815 1.00 0.00 C ATOM 336 CG PHE A 25 -0.693 14.078 -3.084 1.00 0.00 C ATOM 337 CD1 PHE A 25 -0.827 15.451 -3.209 1.00 0.00 C ATOM 338 CD2 PHE A 25 -1.059 13.271 -4.150 1.00 0.00 C ATOM 339 CE1 PHE A 25 -1.316 16.009 -4.376 1.00 0.00 C ATOM 340 CE2 PHE A 25 -1.549 13.823 -5.318 1.00 0.00 C ATOM 341 CZ PHE A 25 -1.678 15.194 -5.431 1.00 0.00 C ATOM 0 H PHE A 25 1.705 12.077 -3.073 1.00 0.00 H new ATOM 0 HA PHE A 25 1.626 14.652 -1.617 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -0.436 12.420 -1.780 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -0.639 13.957 -0.963 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -0.547 16.092 -2.387 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.960 12.199 -4.067 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.415 17.081 -4.463 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.831 13.184 -6.142 1.00 0.00 H new ATOM 0 HZ PHE A 25 -2.061 15.628 -6.343 1.00 0.00 H new ATOM 351 N PRO A 26 2.262 13.699 0.618 1.00 0.00 N ATOM 352 CA PRO A 26 2.725 13.153 1.900 1.00 0.00 C ATOM 353 C PRO A 26 1.587 12.545 2.714 1.00 0.00 C ATOM 354 O PRO A 26 0.535 13.160 2.884 1.00 0.00 O ATOM 355 CB PRO A 26 3.307 14.372 2.619 1.00 0.00 C ATOM 356 CG PRO A 26 2.607 15.540 2.016 1.00 0.00 C ATOM 357 CD PRO A 26 2.351 15.171 0.581 1.00 0.00 C ATOM 0 HA PRO A 26 3.441 12.343 1.763 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.133 14.318 3.694 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.385 14.439 2.474 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.673 15.748 2.538 1.00 0.00 H new ATOM 0 HG3 PRO A 26 3.218 16.440 2.085 1.00 0.00 H new ATOM 0 HD2 PRO A 26 1.430 15.620 0.209 1.00 0.00 H new ATOM 0 HD3 PRO A 26 3.157 15.509 -0.071 1.00 0.00 H new ATOM 365 N GLY A 27 1.808 11.335 3.216 1.00 0.00 N ATOM 366 CA GLY A 27 0.793 10.663 4.005 1.00 0.00 C ATOM 367 C GLY A 27 1.385 9.684 5.000 1.00 0.00 C ATOM 368 O GLY A 27 2.546 9.294 4.881 1.00 0.00 O ATOM 0 H GLY A 27 2.672 10.808 3.090 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.202 11.406 4.540 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.112 10.133 3.339 1.00 0.00 H new ATOM 372 N VAL A 28 0.583 9.284 5.982 1.00 0.00 N ATOM 373 CA VAL A 28 1.033 8.343 7.000 1.00 0.00 C ATOM 374 C VAL A 28 0.487 6.944 6.730 1.00 0.00 C ATOM 375 O VAL A 28 -0.720 6.756 6.582 1.00 0.00 O ATOM 376 CB VAL A 28 0.604 8.793 8.411 1.00 0.00 C ATOM 377 CG1 VAL A 28 -0.912 8.847 8.524 1.00 0.00 C ATOM 378 CG2 VAL A 28 1.193 7.870 9.469 1.00 0.00 C ATOM 0 H VAL A 28 -0.381 9.597 6.094 1.00 0.00 H new ATOM 0 HA VAL A 28 2.122 8.319 6.954 1.00 0.00 H new ATOM 0 HB VAL A 28 0.990 9.798 8.581 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.191 9.167 9.528 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.306 9.555 7.795 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.327 7.858 8.330 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.879 8.203 10.458 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.841 6.852 9.301 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.281 7.893 9.407 1.00 0.00 H new ATOM 388 N VAL A 29 1.385 5.967 6.666 1.00 0.00 N ATOM 389 CA VAL A 29 0.990 4.585 6.412 1.00 0.00 C ATOM 390 C VAL A 29 0.039 4.079 7.491 1.00 0.00 C ATOM 391 O VAL A 29 0.335 4.163 8.682 1.00 0.00 O ATOM 392 CB VAL A 29 2.214 3.650 6.344 1.00 0.00 C ATOM 393 CG1 VAL A 29 1.817 2.294 5.780 1.00 0.00 C ATOM 394 CG2 VAL A 29 3.324 4.278 5.512 1.00 0.00 C ATOM 0 H VAL A 29 2.388 6.105 6.786 1.00 0.00 H new ATOM 0 HA VAL A 29 0.482 4.575 5.447 1.00 0.00 H new ATOM 0 HB VAL A 29 2.592 3.502 7.356 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.693 1.646 5.739 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.060 1.841 6.421 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.413 2.422 4.776 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.179 3.602 5.476 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.962 4.459 4.500 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.627 5.223 5.963 1.00 0.00 H new ATOM 404 N ARG A 30 -1.106 3.556 7.065 1.00 0.00 N ATOM 405 CA ARG A 30 -2.102 3.037 7.997 1.00 0.00 C ATOM 406 C ARG A 30 -2.268 1.529 7.838 1.00 0.00 C ATOM 407 O ARG A 30 -2.559 0.823 8.804 1.00 0.00 O ATOM 408 CB ARG A 30 -3.447 3.735 7.778 1.00 0.00 C ATOM 409 CG ARG A 30 -3.361 5.252 7.831 1.00 0.00 C ATOM 410 CD ARG A 30 -2.747 5.730 9.136 1.00 0.00 C ATOM 411 NE ARG A 30 -3.389 6.946 9.631 1.00 0.00 N ATOM 412 CZ ARG A 30 -2.927 7.665 10.651 1.00 0.00 C ATOM 413 NH1 ARG A 30 -1.822 7.296 11.286 1.00 0.00 N ATOM 414 NH2 ARG A 30 -3.572 8.758 11.036 1.00 0.00 N ATOM 0 H ARG A 30 -1.368 3.480 6.082 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.753 3.239 9.010 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -3.849 3.436 6.810 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.152 3.393 8.535 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -2.764 5.613 6.993 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.358 5.678 7.719 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.833 4.944 9.886 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -1.683 5.916 8.989 1.00 0.00 H new ATOM 0 HE ARG A 30 -4.241 7.262 9.168 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.321 6.457 10.993 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -1.473 7.851 12.067 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -4.421 9.047 10.550 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -3.219 9.310 11.818 1.00 0.00 H new ATOM 428 N PHE A 31 -2.084 1.041 6.617 1.00 0.00 N ATOM 429 CA PHE A 31 -2.216 -0.384 6.335 1.00 0.00 C ATOM 430 C PHE A 31 -1.177 -0.836 5.314 1.00 0.00 C ATOM 431 O PHE A 31 -0.525 -0.013 4.672 1.00 0.00 O ATOM 432 CB PHE A 31 -3.623 -0.694 5.820 1.00 0.00 C ATOM 433 CG PHE A 31 -3.986 -2.150 5.903 1.00 0.00 C ATOM 434 CD1 PHE A 31 -4.427 -2.701 7.096 1.00 0.00 C ATOM 435 CD2 PHE A 31 -3.887 -2.965 4.788 1.00 0.00 C ATOM 436 CE1 PHE A 31 -4.761 -4.039 7.175 1.00 0.00 C ATOM 437 CE2 PHE A 31 -4.221 -4.305 4.860 1.00 0.00 C ATOM 438 CZ PHE A 31 -4.659 -4.842 6.055 1.00 0.00 C ATOM 0 H PHE A 31 -1.843 1.611 5.806 1.00 0.00 H new ATOM 0 HA PHE A 31 -2.047 -0.930 7.263 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -4.347 -0.114 6.393 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.702 -0.367 4.783 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -4.510 -2.077 7.974 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.545 -2.550 3.852 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -5.101 -4.457 8.111 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.140 -4.931 3.983 1.00 0.00 H new ATOM 0 HZ PHE A 31 -4.921 -5.888 6.114 1.00 0.00 H new ATOM 448 N ARG A 32 -1.028 -2.149 5.171 1.00 0.00 N ATOM 449 CA ARG A 32 -0.068 -2.710 4.228 1.00 0.00 C ATOM 450 C ARG A 32 -0.428 -4.150 3.877 1.00 0.00 C ATOM 451 O ARG A 32 -0.655 -4.977 4.759 1.00 0.00 O ATOM 452 CB ARG A 32 1.346 -2.654 4.812 1.00 0.00 C ATOM 453 CG ARG A 32 2.413 -3.212 3.885 1.00 0.00 C ATOM 454 CD ARG A 32 3.619 -3.711 4.661 1.00 0.00 C ATOM 455 NE ARG A 32 3.458 -5.098 5.094 1.00 0.00 N ATOM 456 CZ ARG A 32 4.464 -5.875 5.486 1.00 0.00 C ATOM 457 NH1 ARG A 32 5.706 -5.405 5.503 1.00 0.00 N ATOM 458 NH2 ARG A 32 4.229 -7.124 5.863 1.00 0.00 N ATOM 0 H ARG A 32 -1.559 -2.844 5.696 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.101 -2.113 3.317 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.590 -1.619 5.051 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.365 -3.210 5.749 1.00 0.00 H new ATOM 0 HG2 ARG A 32 1.994 -4.029 3.297 1.00 0.00 H new ATOM 0 HG3 ARG A 32 2.725 -2.440 3.182 1.00 0.00 H new ATOM 0 HD2 ARG A 32 4.510 -3.627 4.039 1.00 0.00 H new ATOM 0 HD3 ARG A 32 3.777 -3.076 5.532 1.00 0.00 H new ATOM 0 HE ARG A 32 2.518 -5.494 5.096 1.00 0.00 H new ATOM 0 HH11 ARG A 32 5.892 -4.444 5.215 1.00 0.00 H new ATOM 0 HH12 ARG A 32 6.474 -6.005 5.804 1.00 0.00 H new ATOM 0 HH21 ARG A 32 3.277 -7.489 5.852 1.00 0.00 H new ATOM 0 HH22 ARG A 32 5.000 -7.720 6.164 1.00 0.00 H new ATOM 472 N GLY A 33 -0.478 -4.442 2.581 1.00 0.00 N ATOM 473 CA GLY A 33 -0.812 -5.782 2.135 1.00 0.00 C ATOM 474 C GLY A 33 -1.317 -5.809 0.704 1.00 0.00 C ATOM 475 O GLY A 33 -1.945 -4.853 0.249 1.00 0.00 O ATOM 0 H GLY A 33 -0.293 -3.775 1.832 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.068 -6.419 2.218 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.573 -6.202 2.793 1.00 0.00 H new ATOM 479 N PRO A 34 -1.056 -6.900 -0.037 1.00 0.00 N ATOM 480 CA PRO A 34 -1.496 -7.032 -1.429 1.00 0.00 C ATOM 481 C PRO A 34 -3.004 -7.237 -1.542 1.00 0.00 C ATOM 482 O PRO A 34 -3.623 -7.848 -0.673 1.00 0.00 O ATOM 483 CB PRO A 34 -0.750 -8.273 -1.919 1.00 0.00 C ATOM 484 CG PRO A 34 -0.509 -9.079 -0.691 1.00 0.00 C ATOM 485 CD PRO A 34 -0.312 -8.087 0.424 1.00 0.00 C ATOM 0 HA PRO A 34 -1.286 -6.134 -2.011 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.341 -8.828 -2.647 1.00 0.00 H new ATOM 0 HB3 PRO A 34 0.187 -8.005 -2.407 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -1.353 -9.736 -0.484 1.00 0.00 H new ATOM 0 HG3 PRO A 34 0.369 -9.715 -0.807 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -0.702 -8.463 1.370 1.00 0.00 H new ATOM 0 HD3 PRO A 34 0.743 -7.864 0.581 1.00 0.00 H new ATOM 628 N ILE A 44 2.435 -6.054 -3.671 1.00 0.00 N ATOM 629 CA ILE A 44 2.011 -5.626 -2.344 1.00 0.00 C ATOM 630 C ILE A 44 1.663 -4.142 -2.329 1.00 0.00 C ATOM 631 O ILE A 44 2.390 -3.319 -2.885 1.00 0.00 O ATOM 632 CB ILE A 44 3.102 -5.897 -1.291 1.00 0.00 C ATOM 633 CG1 ILE A 44 3.618 -7.332 -1.415 1.00 0.00 C ATOM 634 CG2 ILE A 44 2.565 -5.640 0.109 1.00 0.00 C ATOM 635 CD1 ILE A 44 4.929 -7.568 -0.698 1.00 0.00 C ATOM 0 HA ILE A 44 1.123 -6.206 -2.094 1.00 0.00 H new ATOM 0 HB ILE A 44 3.934 -5.216 -1.470 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.868 -8.015 -1.017 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.742 -7.575 -2.470 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.349 -5.836 0.841 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.244 -4.602 0.191 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.717 -6.298 0.300 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.234 -8.606 -0.829 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.694 -6.911 -1.112 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.806 -7.357 0.364 1.00 0.00 H new ATOM 647 N PHE A 45 0.546 -3.806 -1.691 1.00 0.00 N ATOM 648 CA PHE A 45 0.103 -2.420 -1.604 1.00 0.00 C ATOM 649 C PHE A 45 0.310 -1.868 -0.198 1.00 0.00 C ATOM 650 O PHE A 45 0.266 -2.609 0.785 1.00 0.00 O ATOM 651 CB PHE A 45 -1.372 -2.310 -1.995 1.00 0.00 C ATOM 652 CG PHE A 45 -1.616 -2.474 -3.469 1.00 0.00 C ATOM 653 CD1 PHE A 45 -1.433 -3.701 -4.083 1.00 0.00 C ATOM 654 CD2 PHE A 45 -2.026 -1.397 -4.239 1.00 0.00 C ATOM 655 CE1 PHE A 45 -1.656 -3.855 -5.438 1.00 0.00 C ATOM 656 CE2 PHE A 45 -2.251 -1.544 -5.596 1.00 0.00 C ATOM 657 CZ PHE A 45 -2.065 -2.774 -6.195 1.00 0.00 C ATOM 0 H PHE A 45 -0.068 -4.475 -1.227 1.00 0.00 H new ATOM 0 HA PHE A 45 0.702 -1.830 -2.297 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.940 -3.067 -1.454 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -1.752 -1.339 -1.678 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.112 -4.549 -3.496 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.171 -0.433 -3.775 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.511 -4.818 -5.904 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.572 -0.698 -6.186 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.239 -2.891 -7.254 1.00 0.00 H new ATOM 667 N PHE A 46 0.538 -0.561 -0.108 1.00 0.00 N ATOM 668 CA PHE A 46 0.752 0.092 1.178 1.00 0.00 C ATOM 669 C PHE A 46 -0.250 1.221 1.390 1.00 0.00 C ATOM 670 O PHE A 46 -0.241 2.217 0.667 1.00 0.00 O ATOM 671 CB PHE A 46 2.178 0.640 1.262 1.00 0.00 C ATOM 672 CG PHE A 46 3.216 -0.418 1.511 1.00 0.00 C ATOM 673 CD1 PHE A 46 3.392 -1.458 0.613 1.00 0.00 C ATOM 674 CD2 PHE A 46 4.014 -0.372 2.643 1.00 0.00 C ATOM 675 CE1 PHE A 46 4.345 -2.434 0.839 1.00 0.00 C ATOM 676 CE2 PHE A 46 4.969 -1.344 2.874 1.00 0.00 C ATOM 677 CZ PHE A 46 5.134 -2.376 1.972 1.00 0.00 C ATOM 0 H PHE A 46 0.579 0.066 -0.911 1.00 0.00 H new ATOM 0 HA PHE A 46 0.606 -0.650 1.963 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.415 1.158 0.332 1.00 0.00 H new ATOM 0 HB3 PHE A 46 2.227 1.380 2.060 1.00 0.00 H new ATOM 0 HD1 PHE A 46 2.778 -1.507 -0.274 1.00 0.00 H new ATOM 0 HD2 PHE A 46 3.888 0.432 3.353 1.00 0.00 H new ATOM 0 HE1 PHE A 46 4.472 -3.240 0.132 1.00 0.00 H new ATOM 0 HE2 PHE A 46 5.586 -1.296 3.759 1.00 0.00 H new ATOM 0 HZ PHE A 46 5.879 -3.137 2.152 1.00 0.00 H new ATOM 687 N GLY A 47 -1.115 1.059 2.386 1.00 0.00 N ATOM 688 CA GLY A 47 -2.112 2.074 2.675 1.00 0.00 C ATOM 689 C GLY A 47 -1.520 3.289 3.364 1.00 0.00 C ATOM 690 O GLY A 47 -0.925 3.174 4.435 1.00 0.00 O ATOM 0 H GLY A 47 -1.144 0.244 2.998 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.590 2.384 1.746 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.890 1.645 3.306 1.00 0.00 H new ATOM 694 N VAL A 48 -1.686 4.454 2.747 1.00 0.00 N ATOM 695 CA VAL A 48 -1.164 5.696 3.305 1.00 0.00 C ATOM 696 C VAL A 48 -2.239 6.777 3.340 1.00 0.00 C ATOM 697 O VAL A 48 -2.957 6.985 2.361 1.00 0.00 O ATOM 698 CB VAL A 48 0.039 6.213 2.493 1.00 0.00 C ATOM 699 CG1 VAL A 48 0.693 7.392 3.197 1.00 0.00 C ATOM 700 CG2 VAL A 48 1.045 5.096 2.260 1.00 0.00 C ATOM 0 H VAL A 48 -2.178 4.564 1.860 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.840 5.475 4.322 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.321 6.555 1.523 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.540 7.743 2.608 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.032 8.199 3.306 1.00 0.00 H new ATOM 0 HG13 VAL A 48 1.040 7.081 4.182 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.888 5.480 1.685 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.401 4.721 3.220 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.568 4.286 1.708 1.00 0.00 H new ATOM 710 N GLU A 49 -2.345 7.464 4.472 1.00 0.00 N ATOM 711 CA GLU A 49 -3.333 8.524 4.633 1.00 0.00 C ATOM 712 C GLU A 49 -2.760 9.871 4.204 1.00 0.00 C ATOM 713 O GLU A 49 -1.812 10.375 4.809 1.00 0.00 O ATOM 714 CB GLU A 49 -3.804 8.597 6.087 1.00 0.00 C ATOM 715 CG GLU A 49 -5.027 9.476 6.287 1.00 0.00 C ATOM 716 CD GLU A 49 -5.247 9.847 7.740 1.00 0.00 C ATOM 717 OE1 GLU A 49 -4.260 10.204 8.417 1.00 0.00 O ATOM 718 OE2 GLU A 49 -6.406 9.781 8.201 1.00 0.00 O ATOM 0 H GLU A 49 -1.759 7.306 5.292 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.185 8.291 3.994 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.029 7.590 6.438 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.990 8.975 6.705 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.917 10.385 5.696 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -5.908 8.957 5.911 1.00 0.00 H new ATOM 725 N LEU A 50 -3.338 10.449 3.156 1.00 0.00 N ATOM 726 CA LEU A 50 -2.883 11.737 2.645 1.00 0.00 C ATOM 727 C LEU A 50 -2.974 12.815 3.721 1.00 0.00 C ATOM 728 O LEU A 50 -3.986 12.934 4.411 1.00 0.00 O ATOM 729 CB LEU A 50 -3.710 12.145 1.424 1.00 0.00 C ATOM 730 CG LEU A 50 -3.646 11.175 0.245 1.00 0.00 C ATOM 731 CD1 LEU A 50 -4.774 11.451 -0.735 1.00 0.00 C ATOM 732 CD2 LEU A 50 -2.296 11.272 -0.451 1.00 0.00 C ATOM 0 H LEU A 50 -4.123 10.046 2.644 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.839 11.634 2.350 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.751 12.254 1.729 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.373 13.125 1.087 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.764 10.161 0.626 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.712 10.750 -1.568 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.732 11.330 -0.230 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.688 12.470 -1.111 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.267 10.575 -1.288 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.149 12.287 -0.819 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.504 11.024 0.255 1.00 0.00 H new ATOM 744 N LEU A 51 -1.910 13.600 3.856 1.00 0.00 N ATOM 745 CA LEU A 51 -1.868 14.669 4.845 1.00 0.00 C ATOM 746 C LEU A 51 -2.586 15.913 4.333 1.00 0.00 C ATOM 747 O LEU A 51 -3.108 15.925 3.218 1.00 0.00 O ATOM 748 CB LEU A 51 -0.418 15.010 5.197 1.00 0.00 C ATOM 749 CG LEU A 51 0.177 14.193 6.347 1.00 0.00 C ATOM 750 CD1 LEU A 51 1.610 13.791 6.033 1.00 0.00 C ATOM 751 CD2 LEU A 51 0.115 14.980 7.648 1.00 0.00 C ATOM 0 H LEU A 51 -1.065 13.515 3.292 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.380 14.320 5.742 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.199 14.865 4.310 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.361 16.068 5.455 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.415 13.285 6.465 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.015 13.211 6.862 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.628 13.188 5.125 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.215 14.686 5.886 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.542 14.384 8.454 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.682 15.905 7.541 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.923 15.216 7.882 1.00 0.00 H new ATOM 763 N GLU A 52 -2.610 16.959 5.154 1.00 0.00 N ATOM 764 CA GLU A 52 -3.266 18.210 4.786 1.00 0.00 C ATOM 765 C GLU A 52 -2.758 18.722 3.441 1.00 0.00 C ATOM 766 O GLU A 52 -3.485 19.389 2.705 1.00 0.00 O ATOM 767 CB GLU A 52 -3.034 19.268 5.866 1.00 0.00 C ATOM 768 CG GLU A 52 -1.566 19.566 6.123 1.00 0.00 C ATOM 769 CD GLU A 52 -1.331 20.994 6.574 1.00 0.00 C ATOM 770 OE1 GLU A 52 -1.727 21.922 5.837 1.00 0.00 O ATOM 771 OE2 GLU A 52 -0.752 21.184 7.664 1.00 0.00 O ATOM 0 H GLU A 52 -2.182 16.965 6.080 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.335 18.015 4.698 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.537 20.190 5.573 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.496 18.934 6.795 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.188 18.882 6.883 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.996 19.378 5.213 1.00 0.00 H new ATOM 778 N GLU A 53 -1.506 18.405 3.125 1.00 0.00 N ATOM 779 CA GLU A 53 -0.905 18.833 1.868 1.00 0.00 C ATOM 780 C GLU A 53 -1.674 18.269 0.678 1.00 0.00 C ATOM 781 O GLU A 53 -2.169 19.017 -0.166 1.00 0.00 O ATOM 782 CB GLU A 53 0.558 18.390 1.799 1.00 0.00 C ATOM 783 CG GLU A 53 1.363 19.109 0.730 1.00 0.00 C ATOM 784 CD GLU A 53 2.816 18.677 0.705 1.00 0.00 C ATOM 785 OE1 GLU A 53 3.578 19.105 1.597 1.00 0.00 O ATOM 786 OE2 GLU A 53 3.192 17.911 -0.208 1.00 0.00 O ATOM 0 H GLU A 53 -0.889 17.854 3.722 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.950 19.921 1.826 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.026 18.559 2.769 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.595 17.317 1.610 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.915 18.920 -0.246 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.310 20.184 0.902 1.00 0.00 H new ATOM 793 N GLY A 54 -1.771 16.945 0.616 1.00 0.00 N ATOM 794 CA GLY A 54 -2.482 16.302 -0.473 1.00 0.00 C ATOM 795 C GLY A 54 -3.769 15.641 -0.015 1.00 0.00 C ATOM 796 O GLY A 54 -4.174 14.614 -0.558 1.00 0.00 O ATOM 0 H GLY A 54 -1.369 16.305 1.302 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.710 17.041 -1.241 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -1.836 15.554 -0.933 1.00 0.00 H new ATOM 800 N ARG A 55 -4.409 16.232 0.989 1.00 0.00 N ATOM 801 CA ARG A 55 -5.656 15.696 1.521 1.00 0.00 C ATOM 802 C ARG A 55 -6.793 15.865 0.518 1.00 0.00 C ATOM 803 O ARG A 55 -6.973 16.940 -0.055 1.00 0.00 O ATOM 804 CB ARG A 55 -6.010 16.389 2.840 1.00 0.00 C ATOM 805 CG ARG A 55 -6.092 15.437 4.023 1.00 0.00 C ATOM 806 CD ARG A 55 -6.147 16.193 5.341 1.00 0.00 C ATOM 807 NE ARG A 55 -7.030 15.543 6.307 1.00 0.00 N ATOM 808 CZ ARG A 55 -7.532 16.152 7.379 1.00 0.00 C ATOM 809 NH1 ARG A 55 -7.242 17.424 7.626 1.00 0.00 N ATOM 810 NH2 ARG A 55 -8.327 15.488 8.207 1.00 0.00 N ATOM 0 H ARG A 55 -4.084 17.082 1.450 1.00 0.00 H new ATOM 0 HA ARG A 55 -5.517 14.631 1.705 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.263 17.154 3.051 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -6.967 16.899 2.728 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -6.977 14.808 3.925 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -5.227 14.773 4.018 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -5.143 16.266 5.759 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -6.493 17.211 5.161 1.00 0.00 H new ATOM 0 HE ARG A 55 -7.276 14.566 6.151 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -6.631 17.940 6.993 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -7.630 17.885 8.449 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -8.554 14.511 8.022 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -8.712 15.954 9.028 1.00 0.00 H new ATOM 824 N GLY A 56 -7.556 14.797 0.311 1.00 0.00 N ATOM 825 CA GLY A 56 -8.665 14.848 -0.623 1.00 0.00 C ATOM 826 C GLY A 56 -8.318 14.246 -1.970 1.00 0.00 C ATOM 827 O GLY A 56 -8.774 14.725 -3.008 1.00 0.00 O ATOM 0 H GLY A 56 -7.426 13.897 0.773 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.517 14.316 -0.200 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -8.973 15.885 -0.760 1.00 0.00 H new ATOM 831 N GLN A 57 -7.508 13.192 -1.953 1.00 0.00 N ATOM 832 CA GLN A 57 -7.100 12.523 -3.183 1.00 0.00 C ATOM 833 C GLN A 57 -7.045 11.011 -2.987 1.00 0.00 C ATOM 834 O GLN A 57 -6.238 10.323 -3.612 1.00 0.00 O ATOM 835 CB GLN A 57 -5.734 13.040 -3.639 1.00 0.00 C ATOM 836 CG GLN A 57 -5.659 14.554 -3.738 1.00 0.00 C ATOM 837 CD GLN A 57 -4.947 15.023 -4.993 1.00 0.00 C ATOM 838 OE1 GLN A 57 -4.411 14.217 -5.752 1.00 0.00 O ATOM 839 NE2 GLN A 57 -4.938 16.331 -5.214 1.00 0.00 N ATOM 0 H GLN A 57 -7.122 12.783 -1.102 1.00 0.00 H new ATOM 0 HA GLN A 57 -7.840 12.745 -3.952 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -4.972 12.692 -2.942 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.498 12.608 -4.612 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -6.668 14.966 -3.722 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -5.141 14.946 -2.863 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -5.396 16.962 -4.557 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -4.473 16.705 -6.041 1.00 0.00 H new ATOM 848 N GLY A 58 -7.909 10.501 -2.116 1.00 0.00 N ATOM 849 CA GLY A 58 -7.944 9.074 -1.853 1.00 0.00 C ATOM 850 C GLY A 58 -9.115 8.388 -2.528 1.00 0.00 C ATOM 851 O GLY A 58 -10.183 8.980 -2.685 1.00 0.00 O ATOM 0 H GLY A 58 -8.586 11.051 -1.587 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -7.014 8.621 -2.197 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.000 8.907 -0.777 1.00 0.00 H new ATOM 855 N PHE A 59 -8.915 7.137 -2.929 1.00 0.00 N ATOM 856 CA PHE A 59 -9.964 6.370 -3.591 1.00 0.00 C ATOM 857 C PHE A 59 -10.500 5.277 -2.672 1.00 0.00 C ATOM 858 O PHE A 59 -11.711 5.133 -2.505 1.00 0.00 O ATOM 859 CB PHE A 59 -9.431 5.749 -4.884 1.00 0.00 C ATOM 860 CG PHE A 59 -8.146 4.994 -4.703 1.00 0.00 C ATOM 861 CD1 PHE A 59 -6.927 5.650 -4.763 1.00 0.00 C ATOM 862 CD2 PHE A 59 -8.157 3.627 -4.473 1.00 0.00 C ATOM 863 CE1 PHE A 59 -5.743 4.957 -4.596 1.00 0.00 C ATOM 864 CE2 PHE A 59 -6.976 2.929 -4.307 1.00 0.00 C ATOM 865 CZ PHE A 59 -5.767 3.595 -4.368 1.00 0.00 C ATOM 0 H PHE A 59 -8.037 6.633 -2.807 1.00 0.00 H new ATOM 0 HA PHE A 59 -10.781 7.050 -3.832 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -10.185 5.075 -5.291 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -9.278 6.538 -5.620 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -6.902 6.715 -4.942 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -9.099 3.102 -4.423 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.799 5.480 -4.644 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -6.998 1.864 -4.130 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.843 3.052 -4.238 1.00 0.00 H new ATOM 875 N THR A 60 -9.592 4.508 -2.080 1.00 0.00 N ATOM 876 CA THR A 60 -9.976 3.428 -1.178 1.00 0.00 C ATOM 877 C THR A 60 -10.777 3.963 0.003 1.00 0.00 C ATOM 878 O THR A 60 -11.790 3.383 0.392 1.00 0.00 O ATOM 879 CB THR A 60 -8.733 2.689 -0.676 1.00 0.00 C ATOM 880 OG1 THR A 60 -9.085 1.721 0.297 1.00 0.00 O ATOM 881 CG2 THR A 60 -7.700 3.605 -0.057 1.00 0.00 C ATOM 0 H THR A 60 -8.586 4.613 -2.209 1.00 0.00 H new ATOM 0 HA THR A 60 -10.605 2.731 -1.732 1.00 0.00 H new ATOM 0 HB THR A 60 -8.298 2.223 -1.560 1.00 0.00 H new ATOM 0 HG1 THR A 60 -9.995 1.401 0.126 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.846 3.017 0.277 1.00 0.00 H new ATOM 0 HG22 THR A 60 -7.371 4.335 -0.797 1.00 0.00 H new ATOM 0 HG23 THR A 60 -8.138 4.125 0.795 1.00 0.00 H new ATOM 889 N ASP A 61 -10.318 5.074 0.569 1.00 0.00 N ATOM 890 CA ASP A 61 -10.993 5.688 1.706 1.00 0.00 C ATOM 891 C ASP A 61 -11.058 4.727 2.889 1.00 0.00 C ATOM 892 O ASP A 61 -11.980 4.788 3.702 1.00 0.00 O ATOM 893 CB ASP A 61 -12.406 6.123 1.311 1.00 0.00 C ATOM 894 CG ASP A 61 -12.837 7.395 2.014 1.00 0.00 C ATOM 895 OD1 ASP A 61 -12.750 7.446 3.258 1.00 0.00 O ATOM 896 OD2 ASP A 61 -13.262 8.342 1.319 1.00 0.00 O ATOM 0 H ASP A 61 -9.481 5.568 0.259 1.00 0.00 H new ATOM 0 HA ASP A 61 -10.418 6.564 2.006 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -12.448 6.275 0.232 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -13.109 5.324 1.548 1.00 0.00 H new ATOM 901 N GLY A 62 -10.072 3.840 2.981 1.00 0.00 N ATOM 902 CA GLY A 62 -10.037 2.881 4.071 1.00 0.00 C ATOM 903 C GLY A 62 -10.647 1.544 3.694 1.00 0.00 C ATOM 904 O GLY A 62 -10.388 0.533 4.346 1.00 0.00 O ATOM 0 H GLY A 62 -9.297 3.768 2.321 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.004 2.729 4.383 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.572 3.291 4.928 1.00 0.00 H new ATOM 908 N VAL A 63 -11.461 1.537 2.641 1.00 0.00 N ATOM 909 CA VAL A 63 -12.108 0.312 2.186 1.00 0.00 C ATOM 910 C VAL A 63 -11.794 0.035 0.719 1.00 0.00 C ATOM 911 O VAL A 63 -11.754 0.951 -0.102 1.00 0.00 O ATOM 912 CB VAL A 63 -13.637 0.384 2.372 1.00 0.00 C ATOM 913 CG1 VAL A 63 -14.225 1.522 1.549 1.00 0.00 C ATOM 914 CG2 VAL A 63 -14.288 -0.943 2.007 1.00 0.00 C ATOM 0 H VAL A 63 -11.687 2.364 2.089 1.00 0.00 H new ATOM 0 HA VAL A 63 -11.714 -0.501 2.796 1.00 0.00 H new ATOM 0 HB VAL A 63 -13.844 0.583 3.423 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -15.305 1.556 1.694 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -13.786 2.467 1.869 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -14.006 1.359 0.494 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -15.367 -0.869 2.146 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -14.071 -1.180 0.965 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -13.893 -1.731 2.648 1.00 0.00 H new ATOM 924 N TYR A 64 -11.571 -1.236 0.397 1.00 0.00 N ATOM 925 CA TYR A 64 -11.262 -1.637 -0.970 1.00 0.00 C ATOM 926 C TYR A 64 -12.262 -2.672 -1.473 1.00 0.00 C ATOM 927 O TYR A 64 -12.268 -3.816 -1.019 1.00 0.00 O ATOM 928 CB TYR A 64 -9.843 -2.201 -1.051 1.00 0.00 C ATOM 929 CG TYR A 64 -9.396 -2.521 -2.460 1.00 0.00 C ATOM 930 CD1 TYR A 64 -9.672 -3.755 -3.033 1.00 0.00 C ATOM 931 CD2 TYR A 64 -8.700 -1.586 -3.217 1.00 0.00 C ATOM 932 CE1 TYR A 64 -9.266 -4.050 -4.320 1.00 0.00 C ATOM 933 CE2 TYR A 64 -8.291 -1.873 -4.505 1.00 0.00 C ATOM 934 CZ TYR A 64 -8.575 -3.106 -5.052 1.00 0.00 C ATOM 935 OH TYR A 64 -8.170 -3.396 -6.334 1.00 0.00 O ATOM 0 H TYR A 64 -11.599 -2.006 1.066 1.00 0.00 H new ATOM 0 HA TYR A 64 -11.331 -0.753 -1.605 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -9.150 -1.482 -0.614 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -9.786 -3.106 -0.447 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -10.213 -4.496 -2.463 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -8.475 -0.619 -2.791 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -9.488 -5.015 -4.751 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -7.752 -1.135 -5.080 1.00 0.00 H new ATOM 0 HH TYR A 64 -7.697 -2.624 -6.710 1.00 0.00 H new ATOM 945 N GLN A 65 -13.107 -2.262 -2.413 1.00 0.00 N ATOM 946 CA GLN A 65 -14.113 -3.154 -2.979 1.00 0.00 C ATOM 947 C GLN A 65 -15.064 -3.661 -1.899 1.00 0.00 C ATOM 948 O GLN A 65 -15.645 -4.739 -2.028 1.00 0.00 O ATOM 949 CB GLN A 65 -13.441 -4.336 -3.679 1.00 0.00 C ATOM 950 CG GLN A 65 -12.908 -4.001 -5.063 1.00 0.00 C ATOM 951 CD GLN A 65 -13.378 -4.978 -6.123 1.00 0.00 C ATOM 952 OE1 GLN A 65 -13.850 -4.578 -7.187 1.00 0.00 O ATOM 953 NE2 GLN A 65 -13.249 -6.268 -5.837 1.00 0.00 N ATOM 0 H GLN A 65 -13.115 -1.318 -2.799 1.00 0.00 H new ATOM 0 HA GLN A 65 -14.692 -2.589 -3.709 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -12.619 -4.695 -3.059 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -14.158 -5.153 -3.763 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -13.225 -2.995 -5.336 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -11.818 -3.996 -5.037 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -12.852 -6.555 -4.942 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -13.547 -6.972 -6.512 1.00 0.00 H new ATOM 962 N GLY A 66 -15.222 -2.880 -0.836 1.00 0.00 N ATOM 963 CA GLY A 66 -16.106 -3.270 0.247 1.00 0.00 C ATOM 964 C GLY A 66 -15.351 -3.699 1.489 1.00 0.00 C ATOM 965 O GLY A 66 -15.838 -3.531 2.607 1.00 0.00 O ATOM 0 H GLY A 66 -14.754 -1.983 -0.705 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -16.761 -2.435 0.495 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -16.744 -4.088 -0.087 1.00 0.00 H new ATOM 969 N LYS A 67 -14.160 -4.254 1.294 1.00 0.00 N ATOM 970 CA LYS A 67 -13.338 -4.708 2.410 1.00 0.00 C ATOM 971 C LYS A 67 -12.656 -3.531 3.098 1.00 0.00 C ATOM 972 O LYS A 67 -11.857 -2.820 2.491 1.00 0.00 O ATOM 973 CB LYS A 67 -12.288 -5.708 1.921 1.00 0.00 C ATOM 974 CG LYS A 67 -12.662 -7.159 2.178 1.00 0.00 C ATOM 975 CD LYS A 67 -12.594 -7.498 3.658 1.00 0.00 C ATOM 976 CE LYS A 67 -13.976 -7.511 4.293 1.00 0.00 C ATOM 977 NZ LYS A 67 -13.983 -6.831 5.618 1.00 0.00 N ATOM 0 H LYS A 67 -13.742 -4.400 0.375 1.00 0.00 H new ATOM 0 HA LYS A 67 -13.989 -5.199 3.133 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.133 -5.566 0.851 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.339 -5.494 2.412 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -13.669 -7.348 1.806 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -11.990 -7.813 1.623 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -12.124 -8.473 3.787 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -11.964 -6.770 4.170 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -14.686 -7.019 3.628 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -14.312 -8.541 4.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -14.942 -6.861 6.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -13.324 -7.316 6.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -13.687 -5.841 5.502 1.00 0.00 H new ATOM 991 N GLN A 68 -12.980 -3.334 4.371 1.00 0.00 N ATOM 992 CA GLN A 68 -12.399 -2.242 5.147 1.00 0.00 C ATOM 993 C GLN A 68 -11.053 -2.651 5.737 1.00 0.00 C ATOM 994 O GLN A 68 -10.989 -3.221 6.826 1.00 0.00 O ATOM 995 CB GLN A 68 -13.353 -1.821 6.266 1.00 0.00 C ATOM 996 CG GLN A 68 -12.949 -0.527 6.953 1.00 0.00 C ATOM 997 CD GLN A 68 -13.827 0.644 6.556 1.00 0.00 C ATOM 998 OE1 GLN A 68 -15.008 0.693 6.900 1.00 0.00 O ATOM 999 NE2 GLN A 68 -13.253 1.595 5.828 1.00 0.00 N ATOM 0 H GLN A 68 -13.641 -3.914 4.888 1.00 0.00 H new ATOM 0 HA GLN A 68 -12.240 -1.397 4.477 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -14.356 -1.706 5.854 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -13.403 -2.617 7.009 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.998 -0.663 8.033 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.912 -0.298 6.707 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -12.271 1.513 5.565 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -13.794 2.407 5.531 1.00 0.00 H new ATOM 1008 N LEU A 69 -9.981 -2.356 5.010 1.00 0.00 N ATOM 1009 CA LEU A 69 -8.635 -2.692 5.462 1.00 0.00 C ATOM 1010 C LEU A 69 -8.233 -1.836 6.658 1.00 0.00 C ATOM 1011 O LEU A 69 -7.678 -2.338 7.636 1.00 0.00 O ATOM 1012 CB LEU A 69 -7.631 -2.504 4.324 1.00 0.00 C ATOM 1013 CG LEU A 69 -7.701 -3.556 3.217 1.00 0.00 C ATOM 1014 CD1 LEU A 69 -6.739 -3.211 2.090 1.00 0.00 C ATOM 1015 CD2 LEU A 69 -7.394 -4.937 3.776 1.00 0.00 C ATOM 0 H LEU A 69 -10.017 -1.885 4.106 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.632 -3.738 5.770 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.788 -1.521 3.880 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.625 -2.507 4.744 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.713 -3.564 2.813 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.803 -3.971 1.311 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.002 -2.240 1.671 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.721 -3.175 2.479 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.448 -5.674 2.975 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.392 -4.941 4.206 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.121 -5.187 4.549 1.00 0.00 H new ATOM 1027 N PHE A 70 -8.514 -0.540 6.573 1.00 0.00 N ATOM 1028 CA PHE A 70 -8.181 0.387 7.648 1.00 0.00 C ATOM 1029 C PHE A 70 -9.203 1.516 7.731 1.00 0.00 C ATOM 1030 O PHE A 70 -10.131 1.586 6.926 1.00 0.00 O ATOM 1031 CB PHE A 70 -6.780 0.964 7.435 1.00 0.00 C ATOM 1032 CG PHE A 70 -6.652 1.785 6.183 1.00 0.00 C ATOM 1033 CD1 PHE A 70 -6.829 1.205 4.937 1.00 0.00 C ATOM 1034 CD2 PHE A 70 -6.357 3.137 6.253 1.00 0.00 C ATOM 1035 CE1 PHE A 70 -6.712 1.957 3.784 1.00 0.00 C ATOM 1036 CE2 PHE A 70 -6.239 3.895 5.103 1.00 0.00 C ATOM 1037 CZ PHE A 70 -6.417 3.304 3.867 1.00 0.00 C ATOM 0 H PHE A 70 -8.972 -0.108 5.770 1.00 0.00 H new ATOM 0 HA PHE A 70 -8.201 -0.164 8.588 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -6.516 1.582 8.293 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.061 0.146 7.398 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -7.061 0.153 4.866 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.218 3.604 7.217 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -6.851 1.492 2.819 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -6.008 4.948 5.171 1.00 0.00 H new ATOM 0 HZ PHE A 70 -6.326 3.894 2.967 1.00 0.00 H new ATOM 1047 N GLN A 71 -9.024 2.398 8.708 1.00 0.00 N ATOM 1048 CA GLN A 71 -9.930 3.526 8.897 1.00 0.00 C ATOM 1049 C GLN A 71 -9.217 4.847 8.628 1.00 0.00 C ATOM 1050 O GLN A 71 -8.193 5.147 9.240 1.00 0.00 O ATOM 1051 CB GLN A 71 -10.498 3.517 10.318 1.00 0.00 C ATOM 1052 CG GLN A 71 -11.869 2.867 10.422 1.00 0.00 C ATOM 1053 CD GLN A 71 -12.996 3.880 10.414 1.00 0.00 C ATOM 1054 OE1 GLN A 71 -13.673 4.064 9.402 1.00 0.00 O ATOM 1055 NE2 GLN A 71 -13.204 4.544 11.545 1.00 0.00 N ATOM 0 H GLN A 71 -8.260 2.354 9.382 1.00 0.00 H new ATOM 0 HA GLN A 71 -10.750 3.426 8.185 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -9.805 2.990 10.974 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.563 4.543 10.681 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -12.002 2.174 9.591 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -11.920 2.279 11.339 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -12.619 4.360 12.360 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -13.949 5.238 11.599 1.00 0.00 H new ATOM 1064 N CYS A 72 -9.767 5.634 7.709 1.00 0.00 N ATOM 1065 CA CYS A 72 -9.184 6.923 7.359 1.00 0.00 C ATOM 1066 C CYS A 72 -10.263 7.905 6.913 1.00 0.00 C ATOM 1067 O CYS A 72 -11.381 7.508 6.585 1.00 0.00 O ATOM 1068 CB CYS A 72 -8.145 6.752 6.250 1.00 0.00 C ATOM 1069 SG CYS A 72 -8.766 5.899 4.782 1.00 0.00 S ATOM 0 H CYS A 72 -10.616 5.401 7.193 1.00 0.00 H new ATOM 0 HA CYS A 72 -8.696 7.326 8.246 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -7.777 7.735 5.957 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -7.294 6.198 6.646 1.00 0.00 H new ATOM 0 HG CYS A 72 -7.993 4.891 4.507 1.00 0.00 H new ATOM 1075 N ASP A 73 -9.920 9.189 6.904 1.00 0.00 N ATOM 1076 CA ASP A 73 -10.859 10.228 6.498 1.00 0.00 C ATOM 1077 C ASP A 73 -11.323 10.012 5.062 1.00 0.00 C ATOM 1078 O ASP A 73 -10.888 9.074 4.393 1.00 0.00 O ATOM 1079 CB ASP A 73 -10.215 11.609 6.636 1.00 0.00 C ATOM 1080 CG ASP A 73 -10.343 12.169 8.039 1.00 0.00 C ATOM 1081 OD1 ASP A 73 -11.482 12.248 8.545 1.00 0.00 O ATOM 1082 OD2 ASP A 73 -9.304 12.531 8.631 1.00 0.00 O ATOM 0 H ASP A 73 -8.999 9.535 7.173 1.00 0.00 H new ATOM 0 HA ASP A 73 -11.728 10.173 7.153 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.160 11.543 6.369 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.681 12.296 5.930 1.00 0.00 H new ATOM 1087 N GLU A 74 -12.209 10.886 4.593 1.00 0.00 N ATOM 1088 CA GLU A 74 -12.732 10.790 3.236 1.00 0.00 C ATOM 1089 C GLU A 74 -11.700 11.269 2.220 1.00 0.00 C ATOM 1090 O GLU A 74 -11.202 12.392 2.309 1.00 0.00 O ATOM 1091 CB GLU A 74 -14.015 11.611 3.102 1.00 0.00 C ATOM 1092 CG GLU A 74 -15.059 10.967 2.204 1.00 0.00 C ATOM 1093 CD GLU A 74 -16.378 11.714 2.214 1.00 0.00 C ATOM 1094 OE1 GLU A 74 -16.624 12.473 3.175 1.00 0.00 O ATOM 1095 OE2 GLU A 74 -17.165 11.541 1.259 1.00 0.00 O ATOM 0 H GLU A 74 -12.579 11.668 5.133 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.956 9.743 3.033 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -14.444 11.763 4.092 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -13.766 12.596 2.707 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -14.678 10.924 1.184 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -15.225 9.939 2.526 1.00 0.00 H new ATOM 1102 N ASP A 75 -11.383 10.412 1.255 1.00 0.00 N ATOM 1103 CA ASP A 75 -10.412 10.749 0.222 1.00 0.00 C ATOM 1104 C ASP A 75 -9.045 11.041 0.834 1.00 0.00 C ATOM 1105 O ASP A 75 -8.423 12.061 0.536 1.00 0.00 O ATOM 1106 CB ASP A 75 -10.893 11.955 -0.586 1.00 0.00 C ATOM 1107 CG ASP A 75 -12.324 11.798 -1.063 1.00 0.00 C ATOM 1108 OD1 ASP A 75 -12.524 11.261 -2.173 1.00 0.00 O ATOM 1109 OD2 ASP A 75 -13.245 12.211 -0.327 1.00 0.00 O ATOM 0 H ASP A 75 -11.785 9.479 1.167 1.00 0.00 H new ATOM 0 HA ASP A 75 -10.315 9.892 -0.444 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -10.813 12.854 0.026 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -10.239 12.096 -1.447 1.00 0.00 H new ATOM 1114 N CYS A 76 -8.582 10.138 1.693 1.00 0.00 N ATOM 1115 CA CYS A 76 -7.288 10.299 2.348 1.00 0.00 C ATOM 1116 C CYS A 76 -6.449 9.034 2.213 1.00 0.00 C ATOM 1117 O CYS A 76 -5.263 9.095 1.888 1.00 0.00 O ATOM 1118 CB CYS A 76 -7.481 10.643 3.827 1.00 0.00 C ATOM 1119 SG CYS A 76 -7.984 12.353 4.128 1.00 0.00 S ATOM 0 H CYS A 76 -9.083 9.288 1.952 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.760 11.117 1.858 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -8.232 9.975 4.249 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -6.549 10.451 4.358 1.00 0.00 H new ATOM 0 HG CYS A 76 -7.095 12.942 4.871 1.00 0.00 H new ATOM 1125 N GLY A 77 -7.071 7.887 2.465 1.00 0.00 N ATOM 1126 CA GLY A 77 -6.366 6.623 2.365 1.00 0.00 C ATOM 1127 C GLY A 77 -6.016 6.265 0.934 1.00 0.00 C ATOM 1128 O GLY A 77 -6.862 6.341 0.043 1.00 0.00 O ATOM 0 H GLY A 77 -8.051 7.810 2.737 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.452 6.672 2.958 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -6.982 5.832 2.794 1.00 0.00 H new ATOM 1132 N VAL A 78 -4.765 5.873 0.714 1.00 0.00 N ATOM 1133 CA VAL A 78 -4.304 5.501 -0.619 1.00 0.00 C ATOM 1134 C VAL A 78 -3.341 4.321 -0.557 1.00 0.00 C ATOM 1135 O VAL A 78 -2.397 4.317 0.232 1.00 0.00 O ATOM 1136 CB VAL A 78 -3.609 6.681 -1.321 1.00 0.00 C ATOM 1137 CG1 VAL A 78 -4.628 7.719 -1.760 1.00 0.00 C ATOM 1138 CG2 VAL A 78 -2.562 7.304 -0.410 1.00 0.00 C ATOM 0 H VAL A 78 -4.053 5.805 1.441 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.186 5.216 -1.192 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.105 6.303 -2.210 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.116 8.545 -2.254 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.336 7.264 -2.453 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.164 8.094 -0.888 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.082 8.137 -0.924 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.041 7.667 0.500 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.813 6.556 -0.152 1.00 0.00 H new ATOM 1148 N PHE A 79 -3.587 3.319 -1.395 1.00 0.00 N ATOM 1149 CA PHE A 79 -2.741 2.132 -1.436 1.00 0.00 C ATOM 1150 C PHE A 79 -1.782 2.187 -2.621 1.00 0.00 C ATOM 1151 O PHE A 79 -2.199 2.384 -3.762 1.00 0.00 O ATOM 1152 CB PHE A 79 -3.602 0.869 -1.520 1.00 0.00 C ATOM 1153 CG PHE A 79 -3.960 0.296 -0.179 1.00 0.00 C ATOM 1154 CD1 PHE A 79 -2.982 -0.243 0.643 1.00 0.00 C ATOM 1155 CD2 PHE A 79 -5.273 0.296 0.261 1.00 0.00 C ATOM 1156 CE1 PHE A 79 -3.309 -0.771 1.877 1.00 0.00 C ATOM 1157 CE2 PHE A 79 -5.607 -0.231 1.494 1.00 0.00 C ATOM 1158 CZ PHE A 79 -4.623 -0.765 2.304 1.00 0.00 C ATOM 0 H PHE A 79 -4.365 3.306 -2.054 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.154 2.103 -0.518 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -4.518 1.099 -2.064 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -3.069 0.114 -2.098 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.953 -0.250 0.315 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -6.046 0.713 -0.368 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -2.538 -1.188 2.508 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -6.635 -0.226 1.824 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.880 -1.177 3.269 1.00 0.00 H new ATOM 1168 N VAL A 80 -0.494 2.013 -2.342 1.00 0.00 N ATOM 1169 CA VAL A 80 0.525 2.042 -3.384 1.00 0.00 C ATOM 1170 C VAL A 80 1.724 1.181 -3.005 1.00 0.00 C ATOM 1171 O VAL A 80 1.891 0.808 -1.843 1.00 0.00 O ATOM 1172 CB VAL A 80 1.006 3.480 -3.658 1.00 0.00 C ATOM 1173 CG1 VAL A 80 -0.121 4.319 -4.239 1.00 0.00 C ATOM 1174 CG2 VAL A 80 1.553 4.113 -2.388 1.00 0.00 C ATOM 0 H VAL A 80 -0.132 1.850 -1.403 1.00 0.00 H new ATOM 0 HA VAL A 80 0.065 1.641 -4.287 1.00 0.00 H new ATOM 0 HB VAL A 80 1.812 3.440 -4.391 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.238 5.331 -4.426 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.459 3.875 -5.175 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.951 4.353 -3.533 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.888 5.128 -2.602 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.771 4.141 -1.629 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.393 3.524 -2.021 1.00 0.00 H new ATOM 1184 N ALA A 81 2.558 0.867 -3.992 1.00 0.00 N ATOM 1185 CA ALA A 81 3.742 0.049 -3.761 1.00 0.00 C ATOM 1186 C ALA A 81 4.887 0.883 -3.197 1.00 0.00 C ATOM 1187 O ALA A 81 4.876 2.111 -3.286 1.00 0.00 O ATOM 1188 CB ALA A 81 4.171 -0.633 -5.052 1.00 0.00 C ATOM 0 H ALA A 81 2.435 1.167 -4.959 1.00 0.00 H new ATOM 0 HA ALA A 81 3.487 -0.714 -3.025 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.056 -1.241 -4.866 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.363 -1.270 -5.413 1.00 0.00 H new ATOM 0 HB3 ALA A 81 4.401 0.122 -5.803 1.00 0.00 H new ATOM 1194 N LEU A 82 5.874 0.207 -2.614 1.00 0.00 N ATOM 1195 CA LEU A 82 7.029 0.884 -2.033 1.00 0.00 C ATOM 1196 C LEU A 82 7.657 1.845 -3.036 1.00 0.00 C ATOM 1197 O LEU A 82 7.907 3.010 -2.724 1.00 0.00 O ATOM 1198 CB LEU A 82 8.067 -0.140 -1.570 1.00 0.00 C ATOM 1199 CG LEU A 82 9.098 0.389 -0.572 1.00 0.00 C ATOM 1200 CD1 LEU A 82 8.520 0.406 0.833 1.00 0.00 C ATOM 1201 CD2 LEU A 82 10.365 -0.453 -0.619 1.00 0.00 C ATOM 0 H LEU A 82 5.896 -0.809 -2.532 1.00 0.00 H new ATOM 0 HA LEU A 82 6.687 1.459 -1.172 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.546 -0.984 -1.118 1.00 0.00 H new ATOM 0 HB3 LEU A 82 8.593 -0.522 -2.445 1.00 0.00 H new ATOM 0 HG LEU A 82 9.354 1.411 -0.850 1.00 0.00 H new ATOM 0 HD11 LEU A 82 9.268 0.785 1.529 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.641 1.051 0.857 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.236 -0.606 1.122 1.00 0.00 H new ATOM 0 HD21 LEU A 82 11.088 -0.063 0.097 1.00 0.00 H new ATOM 0 HD22 LEU A 82 10.125 -1.486 -0.366 1.00 0.00 H new ATOM 0 HD23 LEU A 82 10.791 -0.414 -1.622 1.00 0.00 H new ATOM 1213 N ASP A 83 7.905 1.350 -4.245 1.00 0.00 N ATOM 1214 CA ASP A 83 8.498 2.167 -5.297 1.00 0.00 C ATOM 1215 C ASP A 83 7.650 3.407 -5.558 1.00 0.00 C ATOM 1216 O ASP A 83 8.164 4.445 -5.976 1.00 0.00 O ATOM 1217 CB ASP A 83 8.644 1.351 -6.583 1.00 0.00 C ATOM 1218 CG ASP A 83 7.373 0.607 -6.944 1.00 0.00 C ATOM 1219 OD1 ASP A 83 6.285 1.216 -6.863 1.00 0.00 O ATOM 1220 OD2 ASP A 83 7.465 -0.584 -7.309 1.00 0.00 O ATOM 0 H ASP A 83 7.705 0.388 -4.520 1.00 0.00 H new ATOM 0 HA ASP A 83 9.486 2.486 -4.966 1.00 0.00 H new ATOM 0 HB2 ASP A 83 8.918 2.016 -7.402 1.00 0.00 H new ATOM 0 HB3 ASP A 83 9.459 0.637 -6.466 1.00 0.00 H new ATOM 1225 N LYS A 84 6.350 3.292 -5.305 1.00 0.00 N ATOM 1226 CA LYS A 84 5.433 4.407 -5.508 1.00 0.00 C ATOM 1227 C LYS A 84 5.500 5.384 -4.338 1.00 0.00 C ATOM 1228 O LYS A 84 5.203 6.569 -4.489 1.00 0.00 O ATOM 1229 CB LYS A 84 4.001 3.894 -5.679 1.00 0.00 C ATOM 1230 CG LYS A 84 3.795 3.077 -6.945 1.00 0.00 C ATOM 1231 CD LYS A 84 2.411 3.300 -7.535 1.00 0.00 C ATOM 1232 CE LYS A 84 1.562 2.040 -7.463 1.00 0.00 C ATOM 1233 NZ LYS A 84 2.291 0.848 -7.978 1.00 0.00 N ATOM 0 H LYS A 84 5.909 2.440 -4.960 1.00 0.00 H new ATOM 0 HA LYS A 84 5.733 4.932 -6.415 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.737 3.284 -4.815 1.00 0.00 H new ATOM 0 HB3 LYS A 84 3.318 4.744 -5.690 1.00 0.00 H new ATOM 0 HG2 LYS A 84 4.553 3.347 -7.681 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.930 2.019 -6.722 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.912 4.107 -6.998 1.00 0.00 H new ATOM 0 HD3 LYS A 84 2.504 3.618 -8.573 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.262 1.863 -6.430 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.649 2.184 -8.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 1.617 0.199 -8.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.003 1.150 -8.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.762 0.361 -7.189 1.00 0.00 H new ATOM 1247 N LEU A 85 5.890 4.879 -3.171 1.00 0.00 N ATOM 1248 CA LEU A 85 5.997 5.708 -1.976 1.00 0.00 C ATOM 1249 C LEU A 85 7.328 6.450 -1.946 1.00 0.00 C ATOM 1250 O LEU A 85 8.278 6.073 -2.633 1.00 0.00 O ATOM 1251 CB LEU A 85 5.850 4.849 -0.718 1.00 0.00 C ATOM 1252 CG LEU A 85 4.444 4.300 -0.470 1.00 0.00 C ATOM 1253 CD1 LEU A 85 4.435 3.382 0.742 1.00 0.00 C ATOM 1254 CD2 LEU A 85 3.453 5.440 -0.287 1.00 0.00 C ATOM 0 H LEU A 85 6.137 3.900 -3.028 1.00 0.00 H new ATOM 0 HA LEU A 85 5.192 6.443 -2.001 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.544 4.011 -0.785 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.150 5.442 0.146 1.00 0.00 H new ATOM 0 HG LEU A 85 4.142 3.718 -1.341 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.426 3.001 0.903 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.115 2.547 0.571 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.757 3.938 1.622 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.458 5.032 -0.112 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.752 6.048 0.567 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.439 6.058 -1.185 1.00 0.00 H new ATOM 1266 N GLU A 86 7.392 7.509 -1.144 1.00 0.00 N ATOM 1267 CA GLU A 86 8.607 8.305 -1.022 1.00 0.00 C ATOM 1268 C GLU A 86 8.869 8.676 0.435 1.00 0.00 C ATOM 1269 O GLU A 86 8.207 9.553 0.991 1.00 0.00 O ATOM 1270 CB GLU A 86 8.500 9.572 -1.874 1.00 0.00 C ATOM 1271 CG GLU A 86 9.757 9.876 -2.673 1.00 0.00 C ATOM 1272 CD GLU A 86 10.114 11.350 -2.656 1.00 0.00 C ATOM 1273 OE1 GLU A 86 9.233 12.178 -2.967 1.00 0.00 O ATOM 1274 OE2 GLU A 86 11.277 11.675 -2.333 1.00 0.00 O ATOM 0 H GLU A 86 6.615 7.835 -0.569 1.00 0.00 H new ATOM 0 HA GLU A 86 9.443 7.705 -1.381 1.00 0.00 H new ATOM 0 HB2 GLU A 86 7.660 9.468 -2.560 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.279 10.419 -1.225 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.589 9.299 -2.269 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.616 9.552 -3.704 1.00 0.00 H new ATOM 1281 N LEU A 87 9.837 8.001 1.047 1.00 0.00 N ATOM 1282 CA LEU A 87 10.186 8.259 2.440 1.00 0.00 C ATOM 1283 C LEU A 87 10.625 9.707 2.634 1.00 0.00 C ATOM 1284 O LEU A 87 11.364 10.257 1.818 1.00 0.00 O ATOM 1285 CB LEU A 87 11.299 7.312 2.891 1.00 0.00 C ATOM 1286 CG LEU A 87 11.519 7.248 4.404 1.00 0.00 C ATOM 1287 CD1 LEU A 87 10.245 6.816 5.112 1.00 0.00 C ATOM 1288 CD2 LEU A 87 12.663 6.300 4.735 1.00 0.00 C ATOM 0 H LEU A 87 10.393 7.272 0.601 1.00 0.00 H new ATOM 0 HA LEU A 87 9.299 8.084 3.049 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.071 6.309 2.529 1.00 0.00 H new ATOM 0 HB3 LEU A 87 12.231 7.618 2.416 1.00 0.00 H new ATOM 0 HG LEU A 87 11.784 8.245 4.756 1.00 0.00 H new ATOM 0 HD11 LEU A 87 10.422 6.776 6.187 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.451 7.532 4.901 1.00 0.00 H new ATOM 0 HD13 LEU A 87 9.948 5.829 4.757 1.00 0.00 H new ATOM 0 HD21 LEU A 87 12.806 6.266 5.815 1.00 0.00 H new ATOM 0 HD22 LEU A 87 12.425 5.301 4.369 1.00 0.00 H new ATOM 0 HD23 LEU A 87 13.578 6.653 4.259 1.00 0.00 H new ATOM 1300 N ILE A 88 10.162 10.319 3.720 1.00 0.00 N ATOM 1301 CA ILE A 88 10.506 11.702 4.023 1.00 0.00 C ATOM 1302 C ILE A 88 11.497 11.781 5.180 1.00 0.00 C ATOM 1303 O ILE A 88 11.572 10.873 6.009 1.00 0.00 O ATOM 1304 CB ILE A 88 9.254 12.527 4.378 1.00 0.00 C ATOM 1305 CG1 ILE A 88 8.159 12.308 3.332 1.00 0.00 C ATOM 1306 CG2 ILE A 88 9.604 14.003 4.486 1.00 0.00 C ATOM 1307 CD1 ILE A 88 6.856 13.000 3.668 1.00 0.00 C ATOM 0 H ILE A 88 9.548 9.878 4.404 1.00 0.00 H new ATOM 0 HA ILE A 88 10.964 12.118 3.126 1.00 0.00 H new ATOM 0 HB ILE A 88 8.879 12.192 5.345 1.00 0.00 H new ATOM 0 HG12 ILE A 88 8.513 12.667 2.366 1.00 0.00 H new ATOM 0 HG13 ILE A 88 7.977 11.239 3.227 1.00 0.00 H new ATOM 0 HG21 ILE A 88 8.709 14.572 4.737 1.00 0.00 H new ATOM 0 HG22 ILE A 88 10.353 14.143 5.265 1.00 0.00 H new ATOM 0 HG23 ILE A 88 10.001 14.353 3.533 1.00 0.00 H new ATOM 0 HD11 ILE A 88 6.126 12.802 2.883 1.00 0.00 H new ATOM 0 HD12 ILE A 88 6.479 12.623 4.619 1.00 0.00 H new ATOM 0 HD13 ILE A 88 7.024 14.074 3.744 1.00 0.00 H new