USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=8 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 USER MOD Single : A 15 LYS NZ :NH3+ -177:sc= -0.275 (180deg=-0.315) USER MOD Single : A 17 GLN : amide:sc= -2.7 X(o=-2.7,f=-2.7) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0391 USER MOD Single : A 24 LYS NZ :NH3+ -110:sc= -1.26 (180deg=-3.79!) USER MOD Single : A 57 GLN : amide:sc= -0.0584 X(o=-0.058,f=0.0023) USER MOD Single : A 60 THR OG1 : rot 57:sc= 0.344 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -3.61 K(o=-3.6,f=-5.9!) USER MOD Single : A 71 GLN : amide:sc= -0.528 K(o=-0.53,f=-6.7!) USER MOD Single : A 72 CYS SG : rot 107:sc= -2.43 USER MOD Single : A 76 CYS SG : rot 13:sc= -2.36 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 68 N ILE A 8 9.788 0.569 4.457 1.00 0.00 N ATOM 69 CA ILE A 8 8.622 1.317 4.912 1.00 0.00 C ATOM 70 C ILE A 8 7.555 0.382 5.471 1.00 0.00 C ATOM 71 O ILE A 8 7.165 -0.588 4.824 1.00 0.00 O ATOM 72 CB ILE A 8 8.010 2.154 3.773 1.00 0.00 C ATOM 73 CG1 ILE A 8 9.099 2.953 3.055 1.00 0.00 C ATOM 74 CG2 ILE A 8 6.935 3.083 4.317 1.00 0.00 C ATOM 75 CD1 ILE A 8 8.595 3.711 1.846 1.00 0.00 C ATOM 0 HA ILE A 8 8.964 1.988 5.700 1.00 0.00 H new ATOM 0 HB ILE A 8 7.548 1.478 3.053 1.00 0.00 H new ATOM 0 HG12 ILE A 8 9.543 3.659 3.757 1.00 0.00 H new ATOM 0 HG13 ILE A 8 9.891 2.273 2.743 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.512 3.668 3.500 1.00 0.00 H new ATOM 0 HG22 ILE A 8 6.148 2.493 4.786 1.00 0.00 H new ATOM 0 HG23 ILE A 8 7.374 3.755 5.055 1.00 0.00 H new ATOM 0 HD11 ILE A 8 9.421 4.254 1.387 1.00 0.00 H new ATOM 0 HD12 ILE A 8 8.177 3.009 1.125 1.00 0.00 H new ATOM 0 HD13 ILE A 8 7.823 4.416 2.154 1.00 0.00 H new ATOM 87 N ASP A 9 7.085 0.683 6.678 1.00 0.00 N ATOM 88 CA ASP A 9 6.061 -0.131 7.324 1.00 0.00 C ATOM 89 C ASP A 9 4.859 0.719 7.720 1.00 0.00 C ATOM 90 O ASP A 9 4.796 1.908 7.405 1.00 0.00 O ATOM 91 CB ASP A 9 6.638 -0.825 8.560 1.00 0.00 C ATOM 92 CG ASP A 9 7.852 -1.672 8.232 1.00 0.00 C ATOM 93 OD1 ASP A 9 7.734 -2.574 7.377 1.00 0.00 O ATOM 94 OD2 ASP A 9 8.921 -1.434 8.832 1.00 0.00 O ATOM 0 H ASP A 9 7.397 1.484 7.228 1.00 0.00 H new ATOM 0 HA ASP A 9 5.730 -0.886 6.611 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.912 -0.074 9.301 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.871 -1.454 9.012 1.00 0.00 H new ATOM 99 N VAL A 10 3.907 0.103 8.411 1.00 0.00 N ATOM 100 CA VAL A 10 2.705 0.801 8.851 1.00 0.00 C ATOM 101 C VAL A 10 3.044 1.890 9.864 1.00 0.00 C ATOM 102 O VAL A 10 3.854 1.682 10.767 1.00 0.00 O ATOM 103 CB VAL A 10 1.686 -0.170 9.478 1.00 0.00 C ATOM 104 CG1 VAL A 10 0.388 0.551 9.809 1.00 0.00 C ATOM 105 CG2 VAL A 10 1.426 -1.345 8.547 1.00 0.00 C ATOM 0 H VAL A 10 3.944 -0.880 8.679 1.00 0.00 H new ATOM 0 HA VAL A 10 2.261 1.256 7.965 1.00 0.00 H new ATOM 0 HB VAL A 10 2.107 -0.555 10.407 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.317 -0.153 10.251 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.589 1.355 10.517 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.039 0.968 8.897 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.704 -2.020 9.006 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.029 -0.978 7.600 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.359 -1.879 8.366 1.00 0.00 H new ATOM 115 N GLY A 11 2.420 3.053 9.705 1.00 0.00 N ATOM 116 CA GLY A 11 2.666 4.158 10.611 1.00 0.00 C ATOM 117 C GLY A 11 3.932 4.919 10.267 1.00 0.00 C ATOM 118 O GLY A 11 4.742 5.218 11.143 1.00 0.00 O ATOM 0 H GLY A 11 1.748 3.249 8.964 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.817 4.841 10.585 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.739 3.779 11.630 1.00 0.00 H new ATOM 122 N CYS A 12 4.102 5.234 8.986 1.00 0.00 N ATOM 123 CA CYS A 12 5.279 5.964 8.532 1.00 0.00 C ATOM 124 C CYS A 12 4.905 6.992 7.463 1.00 0.00 C ATOM 125 O CYS A 12 4.120 6.701 6.561 1.00 0.00 O ATOM 126 CB CYS A 12 6.326 4.993 7.980 1.00 0.00 C ATOM 127 SG CYS A 12 7.806 4.842 9.008 1.00 0.00 S ATOM 0 H CYS A 12 3.441 4.995 8.247 1.00 0.00 H new ATOM 0 HA CYS A 12 5.700 6.493 9.387 1.00 0.00 H new ATOM 0 HB2 CYS A 12 5.871 4.009 7.870 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.621 5.321 6.983 1.00 0.00 H new ATOM 0 HG CYS A 12 8.630 3.999 8.461 1.00 0.00 H new ATOM 133 N PRO A 13 5.465 8.214 7.551 1.00 0.00 N ATOM 134 CA PRO A 13 5.183 9.279 6.586 1.00 0.00 C ATOM 135 C PRO A 13 5.917 9.073 5.266 1.00 0.00 C ATOM 136 O PRO A 13 7.147 9.076 5.221 1.00 0.00 O ATOM 137 CB PRO A 13 5.697 10.531 7.294 1.00 0.00 C ATOM 138 CG PRO A 13 6.802 10.042 8.164 1.00 0.00 C ATOM 139 CD PRO A 13 6.413 8.651 8.595 1.00 0.00 C ATOM 0 HA PRO A 13 4.127 9.324 6.318 1.00 0.00 H new ATOM 0 HB2 PRO A 13 6.054 11.273 6.579 1.00 0.00 H new ATOM 0 HB3 PRO A 13 4.911 11.006 7.881 1.00 0.00 H new ATOM 0 HG2 PRO A 13 7.748 10.032 7.623 1.00 0.00 H new ATOM 0 HG3 PRO A 13 6.936 10.694 9.027 1.00 0.00 H new ATOM 0 HD2 PRO A 13 7.279 7.992 8.651 1.00 0.00 H new ATOM 0 HD3 PRO A 13 5.950 8.652 9.582 1.00 0.00 H new ATOM 147 N VAL A 14 5.154 8.894 4.193 1.00 0.00 N ATOM 148 CA VAL A 14 5.733 8.686 2.871 1.00 0.00 C ATOM 149 C VAL A 14 4.916 9.393 1.795 1.00 0.00 C ATOM 150 O VAL A 14 3.685 9.370 1.819 1.00 0.00 O ATOM 151 CB VAL A 14 5.826 7.188 2.528 1.00 0.00 C ATOM 152 CG1 VAL A 14 6.873 6.504 3.394 1.00 0.00 C ATOM 153 CG2 VAL A 14 4.470 6.518 2.688 1.00 0.00 C ATOM 0 H VAL A 14 4.134 8.889 4.213 1.00 0.00 H new ATOM 0 HA VAL A 14 6.738 9.108 2.896 1.00 0.00 H new ATOM 0 HB VAL A 14 6.132 7.092 1.486 1.00 0.00 H new ATOM 0 HG11 VAL A 14 6.924 5.446 3.136 1.00 0.00 H new ATOM 0 HG12 VAL A 14 7.845 6.966 3.223 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.601 6.609 4.444 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.556 5.460 2.441 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.131 6.624 3.719 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.750 6.989 2.019 1.00 0.00 H new ATOM 163 N LYS A 15 5.610 10.020 0.851 1.00 0.00 N ATOM 164 CA LYS A 15 4.951 10.735 -0.236 1.00 0.00 C ATOM 165 C LYS A 15 4.520 9.774 -1.339 1.00 0.00 C ATOM 166 O LYS A 15 5.298 8.927 -1.778 1.00 0.00 O ATOM 167 CB LYS A 15 5.884 11.803 -0.810 1.00 0.00 C ATOM 168 CG LYS A 15 6.535 12.676 0.251 1.00 0.00 C ATOM 169 CD LYS A 15 7.491 13.683 -0.366 1.00 0.00 C ATOM 170 CE LYS A 15 8.220 14.485 0.700 1.00 0.00 C ATOM 171 NZ LYS A 15 9.528 13.873 1.060 1.00 0.00 N ATOM 0 H LYS A 15 6.629 10.048 0.817 1.00 0.00 H new ATOM 0 HA LYS A 15 4.061 11.218 0.167 1.00 0.00 H new ATOM 0 HB2 LYS A 15 6.663 11.316 -1.396 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.320 12.437 -1.494 1.00 0.00 H new ATOM 0 HG2 LYS A 15 5.764 13.202 0.814 1.00 0.00 H new ATOM 0 HG3 LYS A 15 7.074 12.048 0.960 1.00 0.00 H new ATOM 0 HD2 LYS A 15 8.217 13.162 -0.991 1.00 0.00 H new ATOM 0 HD3 LYS A 15 6.938 14.360 -1.017 1.00 0.00 H new ATOM 0 HE2 LYS A 15 8.382 15.502 0.342 1.00 0.00 H new ATOM 0 HE3 LYS A 15 7.596 14.556 1.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 9.969 14.422 1.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.378 12.894 1.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 10.153 13.875 0.228 1.00 0.00 H new ATOM 185 N VAL A 16 3.275 9.914 -1.782 1.00 0.00 N ATOM 186 CA VAL A 16 2.737 9.061 -2.835 1.00 0.00 C ATOM 187 C VAL A 16 2.460 9.863 -4.101 1.00 0.00 C ATOM 188 O VAL A 16 1.841 10.926 -4.052 1.00 0.00 O ATOM 189 CB VAL A 16 1.438 8.366 -2.386 1.00 0.00 C ATOM 190 CG1 VAL A 16 1.000 7.335 -3.414 1.00 0.00 C ATOM 191 CG2 VAL A 16 1.620 7.724 -1.020 1.00 0.00 C ATOM 0 H VAL A 16 2.619 10.611 -1.428 1.00 0.00 H new ATOM 0 HA VAL A 16 3.491 8.303 -3.045 1.00 0.00 H new ATOM 0 HB VAL A 16 0.654 9.119 -2.306 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.081 6.855 -3.079 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.825 7.827 -4.371 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.780 6.583 -3.530 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.692 7.238 -0.720 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.418 6.983 -1.070 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.881 8.490 -0.290 1.00 0.00 H new ATOM 201 N GLN A 17 2.921 9.347 -5.235 1.00 0.00 N ATOM 202 CA GLN A 17 2.722 10.016 -6.516 1.00 0.00 C ATOM 203 C GLN A 17 1.388 9.616 -7.138 1.00 0.00 C ATOM 204 O GLN A 17 1.194 8.465 -7.527 1.00 0.00 O ATOM 205 CB GLN A 17 3.866 9.681 -7.474 1.00 0.00 C ATOM 206 CG GLN A 17 4.288 10.849 -8.351 1.00 0.00 C ATOM 207 CD GLN A 17 5.753 10.791 -8.734 1.00 0.00 C ATOM 208 OE1 GLN A 17 6.244 9.763 -9.201 1.00 0.00 O ATOM 209 NE2 GLN A 17 6.461 11.897 -8.538 1.00 0.00 N ATOM 0 H GLN A 17 3.435 8.468 -5.294 1.00 0.00 H new ATOM 0 HA GLN A 17 2.711 11.091 -6.337 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.726 9.343 -6.896 1.00 0.00 H new ATOM 0 HB3 GLN A 17 3.564 8.850 -8.111 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.680 10.858 -9.256 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.090 11.783 -7.825 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.013 12.727 -8.148 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.452 11.917 -8.777 1.00 0.00 H new ATOM 218 N LEU A 18 0.472 10.575 -7.228 1.00 0.00 N ATOM 219 CA LEU A 18 -0.844 10.323 -7.802 1.00 0.00 C ATOM 220 C LEU A 18 -0.864 10.671 -9.287 1.00 0.00 C ATOM 221 O LEU A 18 -1.384 9.912 -10.106 1.00 0.00 O ATOM 222 CB LEU A 18 -1.911 11.131 -7.062 1.00 0.00 C ATOM 223 CG LEU A 18 -2.442 10.484 -5.782 1.00 0.00 C ATOM 224 CD1 LEU A 18 -3.524 11.348 -5.156 1.00 0.00 C ATOM 225 CD2 LEU A 18 -2.974 9.088 -6.073 1.00 0.00 C ATOM 0 H LEU A 18 0.617 11.533 -6.911 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.063 9.261 -7.692 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.497 12.108 -6.812 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.748 11.303 -7.738 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.619 10.398 -5.072 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.889 10.871 -4.246 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.112 12.327 -4.912 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.348 11.466 -5.860 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.348 8.642 -5.152 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.784 9.151 -6.800 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.172 8.470 -6.476 1.00 0.00 H new ATOM 237 N ARG A 19 -0.294 11.822 -9.628 1.00 0.00 N ATOM 238 CA ARG A 19 -0.245 12.270 -11.014 1.00 0.00 C ATOM 239 C ARG A 19 0.899 11.597 -11.764 1.00 0.00 C ATOM 240 O ARG A 19 1.641 10.796 -11.194 1.00 0.00 O ATOM 241 CB ARG A 19 -0.085 13.791 -11.075 1.00 0.00 C ATOM 242 CG ARG A 19 -0.780 14.428 -12.269 1.00 0.00 C ATOM 243 CD ARG A 19 -1.910 15.349 -11.835 1.00 0.00 C ATOM 244 NE ARG A 19 -3.097 15.190 -12.670 1.00 0.00 N ATOM 245 CZ ARG A 19 -3.140 15.492 -13.966 1.00 0.00 C ATOM 246 NH1 ARG A 19 -2.063 15.967 -14.579 1.00 0.00 N ATOM 247 NH2 ARG A 19 -4.261 15.317 -14.651 1.00 0.00 N ATOM 0 H ARG A 19 0.141 12.461 -8.963 1.00 0.00 H new ATOM 0 HA ARG A 19 -1.183 11.990 -11.493 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -0.482 14.227 -10.158 1.00 0.00 H new ATOM 0 HB3 ARG A 19 0.977 14.035 -11.110 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -0.054 14.993 -12.854 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.176 13.648 -12.919 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -2.167 15.142 -10.796 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -1.571 16.384 -11.880 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.944 14.826 -12.234 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -1.197 16.102 -14.057 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.101 16.197 -15.572 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -5.091 14.951 -14.185 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.293 15.549 -15.644 1.00 0.00 H new ATOM 261 N SER A 20 1.035 11.925 -13.044 1.00 0.00 N ATOM 262 CA SER A 20 2.090 11.351 -13.872 1.00 0.00 C ATOM 263 C SER A 20 3.441 11.977 -13.543 1.00 0.00 C ATOM 264 O SER A 20 3.946 12.818 -14.286 1.00 0.00 O ATOM 265 CB SER A 20 1.768 11.551 -15.355 1.00 0.00 C ATOM 266 OG SER A 20 1.220 12.837 -15.589 1.00 0.00 O ATOM 0 H SER A 20 0.428 12.585 -13.531 1.00 0.00 H new ATOM 0 HA SER A 20 2.144 10.283 -13.660 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.674 11.425 -15.947 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.064 10.787 -15.684 1.00 0.00 H new ATOM 0 HG SER A 20 1.025 12.941 -16.544 1.00 0.00 H new ATOM 272 N GLY A 21 4.022 11.559 -12.422 1.00 0.00 N ATOM 273 CA GLY A 21 5.310 12.089 -12.012 1.00 0.00 C ATOM 274 C GLY A 21 5.282 13.591 -11.813 1.00 0.00 C ATOM 275 O GLY A 21 6.263 14.280 -12.097 1.00 0.00 O ATOM 0 H GLY A 21 3.624 10.863 -11.791 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.618 11.608 -11.084 1.00 0.00 H new ATOM 0 HA3 GLY A 21 6.058 11.839 -12.764 1.00 0.00 H new ATOM 279 N GLU A 22 4.158 14.101 -11.322 1.00 0.00 N ATOM 280 CA GLU A 22 4.007 15.533 -11.085 1.00 0.00 C ATOM 281 C GLU A 22 4.455 15.901 -9.675 1.00 0.00 C ATOM 282 O GLU A 22 5.403 16.666 -9.494 1.00 0.00 O ATOM 283 CB GLU A 22 2.553 15.955 -11.297 1.00 0.00 C ATOM 284 CG GLU A 22 2.387 17.441 -11.579 1.00 0.00 C ATOM 285 CD GLU A 22 1.448 18.119 -10.600 1.00 0.00 C ATOM 286 OE1 GLU A 22 1.888 18.432 -9.474 1.00 0.00 O ATOM 287 OE2 GLU A 22 0.272 18.339 -10.960 1.00 0.00 O ATOM 0 H GLU A 22 3.338 13.545 -11.080 1.00 0.00 H new ATOM 0 HA GLU A 22 4.639 16.063 -11.797 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.136 15.387 -12.128 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.975 15.695 -10.411 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.362 17.926 -11.537 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.008 17.575 -12.592 1.00 0.00 H new ATOM 294 N GLU A 23 3.769 15.352 -8.678 1.00 0.00 N ATOM 295 CA GLU A 23 4.097 15.625 -7.284 1.00 0.00 C ATOM 296 C GLU A 23 3.632 14.486 -6.382 1.00 0.00 C ATOM 297 O GLU A 23 2.569 13.903 -6.598 1.00 0.00 O ATOM 298 CB GLU A 23 3.456 16.940 -6.836 1.00 0.00 C ATOM 299 CG GLU A 23 4.334 17.758 -5.903 1.00 0.00 C ATOM 300 CD GLU A 23 5.142 18.811 -6.637 1.00 0.00 C ATOM 301 OE1 GLU A 23 4.529 19.723 -7.230 1.00 0.00 O ATOM 302 OE2 GLU A 23 6.388 18.724 -6.617 1.00 0.00 O ATOM 0 H GLU A 23 2.983 14.716 -8.810 1.00 0.00 H new ATOM 0 HA GLU A 23 5.181 15.710 -7.202 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.220 17.538 -7.716 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.512 16.723 -6.336 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.709 18.242 -5.153 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.012 17.091 -5.370 1.00 0.00 H new ATOM 309 N LYS A 24 4.435 14.174 -5.369 1.00 0.00 N ATOM 310 CA LYS A 24 4.106 13.104 -4.435 1.00 0.00 C ATOM 311 C LYS A 24 3.480 13.669 -3.163 1.00 0.00 C ATOM 312 O LYS A 24 4.126 14.400 -2.412 1.00 0.00 O ATOM 313 CB LYS A 24 5.360 12.301 -4.084 1.00 0.00 C ATOM 314 CG LYS A 24 5.908 11.489 -5.247 1.00 0.00 C ATOM 315 CD LYS A 24 6.726 10.304 -4.761 1.00 0.00 C ATOM 316 CE LYS A 24 7.306 9.511 -5.922 1.00 0.00 C ATOM 317 NZ LYS A 24 6.610 8.208 -6.110 1.00 0.00 N ATOM 0 H LYS A 24 5.318 14.647 -5.175 1.00 0.00 H new ATOM 0 HA LYS A 24 3.383 12.445 -4.916 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.133 12.985 -3.733 1.00 0.00 H new ATOM 0 HB3 LYS A 24 5.131 11.628 -3.258 1.00 0.00 H new ATOM 0 HG2 LYS A 24 5.083 11.134 -5.865 1.00 0.00 H new ATOM 0 HG3 LYS A 24 6.528 12.127 -5.877 1.00 0.00 H new ATOM 0 HD2 LYS A 24 7.534 10.657 -4.121 1.00 0.00 H new ATOM 0 HD3 LYS A 24 6.099 9.653 -4.152 1.00 0.00 H new ATOM 0 HE2 LYS A 24 7.229 10.099 -6.837 1.00 0.00 H new ATOM 0 HE3 LYS A 24 8.367 9.333 -5.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.247 7.432 -5.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.758 8.180 -5.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 6.338 8.100 -7.108 1.00 0.00 H new ATOM 331 N PHE A 25 2.219 13.324 -2.927 1.00 0.00 N ATOM 332 CA PHE A 25 1.506 13.796 -1.745 1.00 0.00 C ATOM 333 C PHE A 25 1.963 13.040 -0.496 1.00 0.00 C ATOM 334 O PHE A 25 1.975 11.809 -0.479 1.00 0.00 O ATOM 335 CB PHE A 25 -0.003 13.624 -1.934 1.00 0.00 C ATOM 336 CG PHE A 25 -0.570 14.471 -3.038 1.00 0.00 C ATOM 337 CD1 PHE A 25 -0.300 15.829 -3.096 1.00 0.00 C ATOM 338 CD2 PHE A 25 -1.372 13.908 -4.018 1.00 0.00 C ATOM 339 CE1 PHE A 25 -0.820 16.610 -4.111 1.00 0.00 C ATOM 340 CE2 PHE A 25 -1.894 14.685 -5.035 1.00 0.00 C ATOM 341 CZ PHE A 25 -1.618 16.037 -5.081 1.00 0.00 C ATOM 0 H PHE A 25 1.670 12.720 -3.538 1.00 0.00 H new ATOM 0 HA PHE A 25 1.732 14.854 -1.612 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -0.218 12.576 -2.144 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -0.508 13.872 -1.001 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.324 16.282 -2.340 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -1.591 12.851 -3.987 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.602 17.667 -4.145 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -2.517 14.235 -5.793 1.00 0.00 H new ATOM 0 HZ PHE A 25 -2.026 16.645 -5.875 1.00 0.00 H new ATOM 351 N PRO A 26 2.348 13.767 0.569 1.00 0.00 N ATOM 352 CA PRO A 26 2.804 13.150 1.819 1.00 0.00 C ATOM 353 C PRO A 26 1.658 12.530 2.610 1.00 0.00 C ATOM 354 O PRO A 26 0.572 13.101 2.699 1.00 0.00 O ATOM 355 CB PRO A 26 3.413 14.323 2.587 1.00 0.00 C ATOM 356 CG PRO A 26 2.679 15.518 2.089 1.00 0.00 C ATOM 357 CD PRO A 26 2.367 15.242 0.643 1.00 0.00 C ATOM 0 HA PRO A 26 3.501 12.331 1.642 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.288 14.200 3.663 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.483 14.408 2.398 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.765 15.681 2.661 1.00 0.00 H new ATOM 0 HG3 PRO A 26 3.284 16.419 2.192 1.00 0.00 H new ATOM 0 HD2 PRO A 26 1.409 15.671 0.350 1.00 0.00 H new ATOM 0 HD3 PRO A 26 3.122 15.667 -0.019 1.00 0.00 H new ATOM 365 N GLY A 27 1.907 11.357 3.184 1.00 0.00 N ATOM 366 CA GLY A 27 0.885 10.680 3.959 1.00 0.00 C ATOM 367 C GLY A 27 1.458 9.623 4.882 1.00 0.00 C ATOM 368 O GLY A 27 2.561 9.124 4.658 1.00 0.00 O ATOM 0 H GLY A 27 2.798 10.864 3.126 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.336 11.414 4.549 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.168 10.216 3.281 1.00 0.00 H new ATOM 372 N VAL A 28 0.707 9.281 5.924 1.00 0.00 N ATOM 373 CA VAL A 28 1.144 8.278 6.887 1.00 0.00 C ATOM 374 C VAL A 28 0.569 6.906 6.547 1.00 0.00 C ATOM 375 O VAL A 28 -0.612 6.781 6.220 1.00 0.00 O ATOM 376 CB VAL A 28 0.733 8.660 8.323 1.00 0.00 C ATOM 377 CG1 VAL A 28 -0.781 8.750 8.443 1.00 0.00 C ATOM 378 CG2 VAL A 28 1.297 7.662 9.325 1.00 0.00 C ATOM 0 H VAL A 28 -0.208 9.685 6.123 1.00 0.00 H new ATOM 0 HA VAL A 28 2.232 8.236 6.832 1.00 0.00 H new ATOM 0 HB VAL A 28 1.149 9.642 8.549 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.050 9.021 9.464 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.156 9.509 7.756 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.224 7.785 8.195 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.996 7.949 10.333 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.914 6.666 9.101 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.385 7.656 9.259 1.00 0.00 H new ATOM 388 N VAL A 29 1.409 5.880 6.628 1.00 0.00 N ATOM 389 CA VAL A 29 0.983 4.519 6.330 1.00 0.00 C ATOM 390 C VAL A 29 0.036 3.993 7.404 1.00 0.00 C ATOM 391 O VAL A 29 0.320 4.091 8.598 1.00 0.00 O ATOM 392 CB VAL A 29 2.187 3.565 6.211 1.00 0.00 C ATOM 393 CG1 VAL A 29 1.738 2.193 5.730 1.00 0.00 C ATOM 394 CG2 VAL A 29 3.241 4.144 5.277 1.00 0.00 C ATOM 0 H VAL A 29 2.389 5.966 6.898 1.00 0.00 H new ATOM 0 HA VAL A 29 0.462 4.553 5.373 1.00 0.00 H new ATOM 0 HB VAL A 29 2.633 3.452 7.199 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.603 1.534 5.652 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.025 1.774 6.440 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.265 2.287 4.753 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.083 3.455 5.207 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.809 4.291 4.287 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.587 5.101 5.668 1.00 0.00 H new ATOM 404 N ARG A 30 -1.092 3.438 6.973 1.00 0.00 N ATOM 405 CA ARG A 30 -2.081 2.898 7.900 1.00 0.00 C ATOM 406 C ARG A 30 -2.212 1.385 7.748 1.00 0.00 C ATOM 407 O ARG A 30 -2.534 0.682 8.705 1.00 0.00 O ATOM 408 CB ARG A 30 -3.440 3.564 7.671 1.00 0.00 C ATOM 409 CG ARG A 30 -3.418 5.072 7.852 1.00 0.00 C ATOM 410 CD ARG A 30 -2.899 5.461 9.228 1.00 0.00 C ATOM 411 NE ARG A 30 -3.358 6.788 9.631 1.00 0.00 N ATOM 412 CZ ARG A 30 -2.818 7.490 10.624 1.00 0.00 C ATOM 413 NH1 ARG A 30 -1.800 6.996 11.317 1.00 0.00 N ATOM 414 NH2 ARG A 30 -3.298 8.689 10.925 1.00 0.00 N ATOM 0 H ARG A 30 -1.344 3.350 5.989 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.742 3.111 8.914 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -3.783 3.333 6.663 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.166 3.134 8.361 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -2.789 5.522 7.084 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.423 5.471 7.715 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -3.229 4.725 9.961 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -1.809 5.440 9.224 1.00 0.00 H new ATOM 0 HE ARG A 30 -4.139 7.201 9.121 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.428 6.074 11.089 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -1.390 7.538 12.077 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -4.081 9.073 10.395 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -2.884 9.228 11.686 1.00 0.00 H new ATOM 428 N PHE A 31 -1.961 0.889 6.539 1.00 0.00 N ATOM 429 CA PHE A 31 -2.053 -0.542 6.268 1.00 0.00 C ATOM 430 C PHE A 31 -1.054 -0.957 5.193 1.00 0.00 C ATOM 431 O PHE A 31 -0.473 -0.114 4.511 1.00 0.00 O ATOM 432 CB PHE A 31 -3.471 -0.908 5.830 1.00 0.00 C ATOM 433 CG PHE A 31 -3.773 -2.376 5.937 1.00 0.00 C ATOM 434 CD1 PHE A 31 -4.129 -2.936 7.154 1.00 0.00 C ATOM 435 CD2 PHE A 31 -3.701 -3.195 4.822 1.00 0.00 C ATOM 436 CE1 PHE A 31 -4.407 -4.286 7.256 1.00 0.00 C ATOM 437 CE2 PHE A 31 -3.977 -4.546 4.918 1.00 0.00 C ATOM 438 CZ PHE A 31 -4.332 -5.091 6.137 1.00 0.00 C ATOM 0 H PHE A 31 -1.693 1.455 5.734 1.00 0.00 H new ATOM 0 HA PHE A 31 -1.814 -1.077 7.187 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -4.185 -0.353 6.439 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.617 -0.590 4.798 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -4.190 -2.310 8.032 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.426 -2.773 3.867 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.683 -4.711 8.210 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.915 -5.174 4.042 1.00 0.00 H new ATOM 0 HZ PHE A 31 -4.551 -6.146 6.214 1.00 0.00 H new ATOM 448 N ARG A 32 -0.858 -2.264 5.048 1.00 0.00 N ATOM 449 CA ARG A 32 0.070 -2.794 4.056 1.00 0.00 C ATOM 450 C ARG A 32 -0.193 -4.275 3.803 1.00 0.00 C ATOM 451 O ARG A 32 -0.319 -5.062 4.741 1.00 0.00 O ATOM 452 CB ARG A 32 1.514 -2.591 4.520 1.00 0.00 C ATOM 453 CG ARG A 32 2.549 -3.096 3.528 1.00 0.00 C ATOM 454 CD ARG A 32 3.830 -3.522 4.228 1.00 0.00 C ATOM 455 NE ARG A 32 3.852 -4.956 4.506 1.00 0.00 N ATOM 456 CZ ARG A 32 4.956 -5.636 4.805 1.00 0.00 C ATOM 457 NH1 ARG A 32 6.129 -5.017 4.868 1.00 0.00 N ATOM 458 NH2 ARG A 32 4.888 -6.938 5.044 1.00 0.00 N ATOM 0 H ARG A 32 -1.330 -2.976 5.606 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.084 -2.252 3.123 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.683 -1.529 4.700 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.656 -3.102 5.472 1.00 0.00 H new ATOM 0 HG2 ARG A 32 2.140 -3.939 2.971 1.00 0.00 H new ATOM 0 HG3 ARG A 32 2.772 -2.313 2.803 1.00 0.00 H new ATOM 0 HD2 ARG A 32 4.687 -3.260 3.607 1.00 0.00 H new ATOM 0 HD3 ARG A 32 3.933 -2.970 5.162 1.00 0.00 H new ATOM 0 HE ARG A 32 2.969 -5.466 4.469 1.00 0.00 H new ATOM 0 HH11 ARG A 32 6.187 -4.015 4.687 1.00 0.00 H new ATOM 0 HH12 ARG A 32 6.972 -5.544 5.098 1.00 0.00 H new ATOM 0 HH21 ARG A 32 3.989 -7.419 4.999 1.00 0.00 H new ATOM 0 HH22 ARG A 32 5.734 -7.459 5.273 1.00 0.00 H new ATOM 472 N GLY A 33 -0.273 -4.647 2.530 1.00 0.00 N ATOM 473 CA GLY A 33 -0.521 -6.032 2.177 1.00 0.00 C ATOM 474 C GLY A 33 -1.113 -6.182 0.788 1.00 0.00 C ATOM 475 O GLY A 33 -1.819 -5.292 0.315 1.00 0.00 O ATOM 0 H GLY A 33 -0.171 -4.014 1.737 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.414 -6.590 2.232 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.199 -6.473 2.907 1.00 0.00 H new ATOM 479 N PRO A 34 -0.842 -7.307 0.103 1.00 0.00 N ATOM 480 CA PRO A 34 -1.362 -7.556 -1.245 1.00 0.00 C ATOM 481 C PRO A 34 -2.883 -7.457 -1.307 1.00 0.00 C ATOM 482 O PRO A 34 -3.563 -7.556 -0.286 1.00 0.00 O ATOM 483 CB PRO A 34 -0.908 -8.986 -1.550 1.00 0.00 C ATOM 484 CG PRO A 34 0.262 -9.215 -0.657 1.00 0.00 C ATOM 485 CD PRO A 34 -0.009 -8.422 0.590 1.00 0.00 C ATOM 0 HA PRO A 34 -0.998 -6.819 -1.961 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.704 -9.704 -1.351 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -0.633 -9.098 -2.599 1.00 0.00 H new ATOM 0 HG2 PRO A 34 0.377 -10.275 -0.429 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.187 -8.889 -1.134 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -0.530 -9.017 1.340 1.00 0.00 H new ATOM 0 HD3 PRO A 34 0.913 -8.066 1.049 1.00 0.00 H new ATOM 628 N ILE A 44 2.996 -5.776 -3.141 1.00 0.00 N ATOM 629 CA ILE A 44 2.306 -5.493 -1.888 1.00 0.00 C ATOM 630 C ILE A 44 1.789 -4.058 -1.858 1.00 0.00 C ATOM 631 O ILE A 44 2.538 -3.113 -2.105 1.00 0.00 O ATOM 632 CB ILE A 44 3.228 -5.721 -0.675 1.00 0.00 C ATOM 633 CG1 ILE A 44 3.892 -7.097 -0.764 1.00 0.00 C ATOM 634 CG2 ILE A 44 2.444 -5.588 0.623 1.00 0.00 C ATOM 635 CD1 ILE A 44 5.213 -7.083 -1.502 1.00 0.00 C ATOM 0 HA ILE A 44 1.463 -6.181 -1.828 1.00 0.00 H new ATOM 0 HB ILE A 44 4.008 -4.959 -0.683 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.052 -7.480 0.244 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.213 -7.788 -1.264 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.111 -5.752 1.469 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.015 -4.588 0.688 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.644 -6.328 0.642 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.627 -8.091 -1.527 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.057 -6.730 -2.521 1.00 0.00 H new ATOM 0 HD13 ILE A 44 5.909 -6.418 -0.990 1.00 0.00 H new ATOM 647 N PHE A 45 0.505 -3.903 -1.552 1.00 0.00 N ATOM 648 CA PHE A 45 -0.112 -2.583 -1.490 1.00 0.00 C ATOM 649 C PHE A 45 0.149 -1.924 -0.139 1.00 0.00 C ATOM 650 O PHE A 45 0.094 -2.578 0.902 1.00 0.00 O ATOM 651 CB PHE A 45 -1.618 -2.688 -1.736 1.00 0.00 C ATOM 652 CG PHE A 45 -1.977 -2.920 -3.176 1.00 0.00 C ATOM 653 CD1 PHE A 45 -2.057 -4.206 -3.684 1.00 0.00 C ATOM 654 CD2 PHE A 45 -2.232 -1.852 -4.021 1.00 0.00 C ATOM 655 CE1 PHE A 45 -2.387 -4.423 -5.009 1.00 0.00 C ATOM 656 CE2 PHE A 45 -2.562 -2.062 -5.346 1.00 0.00 C ATOM 657 CZ PHE A 45 -2.640 -3.350 -5.841 1.00 0.00 C ATOM 0 H PHE A 45 -0.128 -4.675 -1.343 1.00 0.00 H new ATOM 0 HA PHE A 45 0.334 -1.964 -2.269 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.020 -3.503 -1.134 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.098 -1.772 -1.393 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.859 -5.049 -3.038 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.172 -0.843 -3.639 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.447 -5.431 -5.393 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.759 -1.221 -5.994 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.898 -3.517 -6.876 1.00 0.00 H new ATOM 667 N PHE A 46 0.434 -0.626 -0.165 1.00 0.00 N ATOM 668 CA PHE A 46 0.703 0.122 1.057 1.00 0.00 C ATOM 669 C PHE A 46 -0.328 1.227 1.259 1.00 0.00 C ATOM 670 O PHE A 46 -0.389 2.181 0.483 1.00 0.00 O ATOM 671 CB PHE A 46 2.109 0.724 1.011 1.00 0.00 C ATOM 672 CG PHE A 46 3.204 -0.298 1.133 1.00 0.00 C ATOM 673 CD1 PHE A 46 3.337 -1.304 0.189 1.00 0.00 C ATOM 674 CD2 PHE A 46 4.098 -0.252 2.190 1.00 0.00 C ATOM 675 CE1 PHE A 46 4.344 -2.245 0.298 1.00 0.00 C ATOM 676 CE2 PHE A 46 5.107 -1.190 2.304 1.00 0.00 C ATOM 677 CZ PHE A 46 5.230 -2.188 1.356 1.00 0.00 C ATOM 0 H PHE A 46 0.485 -0.071 -1.019 1.00 0.00 H new ATOM 0 HA PHE A 46 0.637 -0.569 1.897 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.233 1.267 0.074 1.00 0.00 H new ATOM 0 HB3 PHE A 46 2.211 1.451 1.816 1.00 0.00 H new ATOM 0 HD1 PHE A 46 2.647 -1.353 -0.640 1.00 0.00 H new ATOM 0 HD2 PHE A 46 4.006 0.526 2.934 1.00 0.00 H new ATOM 0 HE1 PHE A 46 4.438 -3.024 -0.444 1.00 0.00 H new ATOM 0 HE2 PHE A 46 5.798 -1.143 3.133 1.00 0.00 H new ATOM 0 HZ PHE A 46 6.018 -2.922 1.442 1.00 0.00 H new ATOM 687 N GLY A 47 -1.138 1.092 2.304 1.00 0.00 N ATOM 688 CA GLY A 47 -2.155 2.086 2.589 1.00 0.00 C ATOM 689 C GLY A 47 -1.586 3.323 3.255 1.00 0.00 C ATOM 690 O GLY A 47 -1.045 3.247 4.359 1.00 0.00 O ATOM 0 H GLY A 47 -1.108 0.311 2.959 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.650 2.372 1.661 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.917 1.648 3.234 1.00 0.00 H new ATOM 694 N VAL A 48 -1.705 4.463 2.585 1.00 0.00 N ATOM 695 CA VAL A 48 -1.199 5.722 3.117 1.00 0.00 C ATOM 696 C VAL A 48 -2.306 6.768 3.198 1.00 0.00 C ATOM 697 O VAL A 48 -3.178 6.830 2.332 1.00 0.00 O ATOM 698 CB VAL A 48 -0.047 6.273 2.256 1.00 0.00 C ATOM 699 CG1 VAL A 48 0.609 7.464 2.938 1.00 0.00 C ATOM 700 CG2 VAL A 48 0.975 5.184 1.970 1.00 0.00 C ATOM 0 H VAL A 48 -2.149 4.541 1.670 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.825 5.515 4.120 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.459 6.611 1.305 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.420 7.839 2.314 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.130 8.252 3.085 1.00 0.00 H new ATOM 0 HG13 VAL A 48 1.007 7.156 3.905 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.781 5.593 1.361 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.383 4.812 2.910 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.494 4.365 1.434 1.00 0.00 H new ATOM 710 N GLU A 49 -2.264 7.587 4.243 1.00 0.00 N ATOM 711 CA GLU A 49 -3.265 8.630 4.437 1.00 0.00 C ATOM 712 C GLU A 49 -2.755 9.975 3.932 1.00 0.00 C ATOM 713 O GLU A 49 -1.796 10.528 4.470 1.00 0.00 O ATOM 714 CB GLU A 49 -3.640 8.734 5.916 1.00 0.00 C ATOM 715 CG GLU A 49 -4.792 9.688 6.186 1.00 0.00 C ATOM 716 CD GLU A 49 -4.999 9.947 7.665 1.00 0.00 C ATOM 717 OE1 GLU A 49 -4.115 10.573 8.288 1.00 0.00 O ATOM 718 OE2 GLU A 49 -6.044 9.524 8.202 1.00 0.00 O ATOM 0 H GLU A 49 -1.548 7.549 4.969 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.151 8.361 3.862 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.905 7.743 6.285 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.768 9.062 6.481 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.603 10.634 5.678 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -5.707 9.276 5.761 1.00 0.00 H new ATOM 725 N LEU A 50 -3.404 10.497 2.895 1.00 0.00 N ATOM 726 CA LEU A 50 -3.016 11.779 2.317 1.00 0.00 C ATOM 727 C LEU A 50 -3.091 12.893 3.356 1.00 0.00 C ATOM 728 O LEU A 50 -4.112 13.065 4.024 1.00 0.00 O ATOM 729 CB LEU A 50 -3.913 12.116 1.124 1.00 0.00 C ATOM 730 CG LEU A 50 -3.875 11.102 -0.021 1.00 0.00 C ATOM 731 CD1 LEU A 50 -5.221 11.044 -0.727 1.00 0.00 C ATOM 732 CD2 LEU A 50 -2.768 11.453 -1.005 1.00 0.00 C ATOM 0 H LEU A 50 -4.200 10.052 2.438 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.984 11.697 1.976 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.941 12.206 1.476 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.623 13.092 0.735 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.665 10.117 0.396 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.175 10.318 -1.538 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.992 10.746 -0.016 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.462 12.027 -1.133 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.754 10.722 -1.813 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.949 12.446 -1.417 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.807 11.443 -0.490 1.00 0.00 H new ATOM 744 N LEU A 51 -2.005 13.648 3.487 1.00 0.00 N ATOM 745 CA LEU A 51 -1.948 14.747 4.444 1.00 0.00 C ATOM 746 C LEU A 51 -2.639 15.988 3.888 1.00 0.00 C ATOM 747 O LEU A 51 -3.154 15.976 2.771 1.00 0.00 O ATOM 748 CB LEU A 51 -0.494 15.072 4.794 1.00 0.00 C ATOM 749 CG LEU A 51 0.106 14.220 5.913 1.00 0.00 C ATOM 750 CD1 LEU A 51 1.616 14.123 5.757 1.00 0.00 C ATOM 751 CD2 LEU A 51 -0.256 14.796 7.274 1.00 0.00 C ATOM 0 H LEU A 51 -1.152 13.519 2.942 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.471 14.436 5.348 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.116 14.951 3.899 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.431 16.121 5.083 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.311 13.215 5.844 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.026 13.513 6.562 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.854 13.665 4.797 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.051 15.121 5.800 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.179 14.177 8.059 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.133 15.811 7.355 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.340 14.813 7.385 1.00 0.00 H new ATOM 763 N GLU A 52 -2.648 17.059 4.677 1.00 0.00 N ATOM 764 CA GLU A 52 -3.277 18.310 4.264 1.00 0.00 C ATOM 765 C GLU A 52 -2.718 18.790 2.928 1.00 0.00 C ATOM 766 O GLU A 52 -3.410 19.457 2.158 1.00 0.00 O ATOM 767 CB GLU A 52 -3.068 19.386 5.331 1.00 0.00 C ATOM 768 CG GLU A 52 -1.607 19.621 5.681 1.00 0.00 C ATOM 769 CD GLU A 52 -1.313 21.071 6.007 1.00 0.00 C ATOM 770 OE1 GLU A 52 -1.703 21.524 7.105 1.00 0.00 O ATOM 771 OE2 GLU A 52 -0.692 21.755 5.167 1.00 0.00 O ATOM 0 H GLU A 52 -2.227 17.086 5.606 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.345 18.126 4.144 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.504 20.322 4.982 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.608 19.100 6.234 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.337 18.998 6.534 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.982 19.306 4.846 1.00 0.00 H new ATOM 778 N GLU A 53 -1.463 18.447 2.658 1.00 0.00 N ATOM 779 CA GLU A 53 -0.812 18.843 1.414 1.00 0.00 C ATOM 780 C GLU A 53 -1.520 18.229 0.210 1.00 0.00 C ATOM 781 O GLU A 53 -1.717 18.890 -0.809 1.00 0.00 O ATOM 782 CB GLU A 53 0.658 18.421 1.426 1.00 0.00 C ATOM 783 CG GLU A 53 1.557 19.325 0.598 1.00 0.00 C ATOM 784 CD GLU A 53 2.552 18.548 -0.242 1.00 0.00 C ATOM 785 OE1 GLU A 53 3.482 17.951 0.341 1.00 0.00 O ATOM 786 OE2 GLU A 53 2.401 18.535 -1.481 1.00 0.00 O ATOM 0 H GLU A 53 -0.876 17.896 3.284 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.870 19.928 1.332 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.016 18.411 2.455 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.738 17.401 1.051 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.941 19.944 -0.055 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.097 20.001 1.262 1.00 0.00 H new ATOM 793 N GLY A 54 -1.900 16.962 0.336 1.00 0.00 N ATOM 794 CA GLY A 54 -2.582 16.280 -0.749 1.00 0.00 C ATOM 795 C GLY A 54 -3.884 15.643 -0.308 1.00 0.00 C ATOM 796 O GLY A 54 -4.261 14.580 -0.800 1.00 0.00 O ATOM 0 H GLY A 54 -1.748 16.395 1.170 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.782 16.990 -1.551 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -1.927 15.512 -1.160 1.00 0.00 H new ATOM 800 N ARG A 55 -4.573 16.293 0.624 1.00 0.00 N ATOM 801 CA ARG A 55 -5.841 15.783 1.133 1.00 0.00 C ATOM 802 C ARG A 55 -6.944 15.927 0.090 1.00 0.00 C ATOM 803 O ARG A 55 -6.972 16.898 -0.668 1.00 0.00 O ATOM 804 CB ARG A 55 -6.234 16.520 2.416 1.00 0.00 C ATOM 805 CG ARG A 55 -6.844 15.617 3.474 1.00 0.00 C ATOM 806 CD ARG A 55 -6.885 16.299 4.832 1.00 0.00 C ATOM 807 NE ARG A 55 -8.057 15.901 5.608 1.00 0.00 N ATOM 808 CZ ARG A 55 -8.334 16.366 6.825 1.00 0.00 C ATOM 809 NH1 ARG A 55 -7.525 17.245 7.407 1.00 0.00 N ATOM 810 NH2 ARG A 55 -9.420 15.953 7.462 1.00 0.00 N ATOM 0 H ARG A 55 -4.275 17.174 1.042 1.00 0.00 H new ATOM 0 HA ARG A 55 -5.714 14.724 1.356 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.351 17.006 2.831 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -6.945 17.308 2.169 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -7.854 15.336 3.176 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -6.265 14.696 3.545 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -5.981 16.053 5.389 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -6.891 17.380 4.695 1.00 0.00 H new ATOM 0 HE ARG A 55 -8.701 15.227 5.193 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -6.688 17.567 6.922 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -7.742 17.598 8.339 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -10.045 15.278 7.020 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -9.631 16.310 8.394 1.00 0.00 H new ATOM 824 N GLY A 56 -7.852 14.958 0.057 1.00 0.00 N ATOM 825 CA GLY A 56 -8.945 14.997 -0.897 1.00 0.00 C ATOM 826 C GLY A 56 -8.600 14.306 -2.202 1.00 0.00 C ATOM 827 O GLY A 56 -9.093 14.688 -3.263 1.00 0.00 O ATOM 0 H GLY A 56 -7.851 14.146 0.674 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.823 14.522 -0.459 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.211 16.035 -1.098 1.00 0.00 H new ATOM 831 N GLN A 57 -7.753 13.286 -2.124 1.00 0.00 N ATOM 832 CA GLN A 57 -7.343 12.540 -3.308 1.00 0.00 C ATOM 833 C GLN A 57 -7.333 11.040 -3.030 1.00 0.00 C ATOM 834 O GLN A 57 -6.521 10.301 -3.585 1.00 0.00 O ATOM 835 CB GLN A 57 -5.957 12.995 -3.768 1.00 0.00 C ATOM 836 CG GLN A 57 -5.863 14.489 -4.028 1.00 0.00 C ATOM 837 CD GLN A 57 -6.358 14.872 -5.409 1.00 0.00 C ATOM 838 OE1 GLN A 57 -7.315 15.633 -5.550 1.00 0.00 O ATOM 839 NE2 GLN A 57 -5.705 14.346 -6.439 1.00 0.00 N ATOM 0 H GLN A 57 -7.337 12.957 -1.253 1.00 0.00 H new ATOM 0 HA GLN A 57 -8.065 12.739 -4.100 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -5.223 12.720 -3.010 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.691 12.459 -4.679 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -6.445 15.022 -3.276 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -4.827 14.809 -3.915 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -4.917 13.719 -6.277 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -5.992 14.569 -7.392 1.00 0.00 H new ATOM 848 N GLY A 58 -8.242 10.597 -2.167 1.00 0.00 N ATOM 849 CA GLY A 58 -8.320 9.188 -1.830 1.00 0.00 C ATOM 850 C GLY A 58 -9.503 8.501 -2.484 1.00 0.00 C ATOM 851 O GLY A 58 -10.574 9.092 -2.620 1.00 0.00 O ATOM 0 H GLY A 58 -8.926 11.189 -1.695 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -7.400 8.692 -2.138 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.393 9.080 -0.748 1.00 0.00 H new ATOM 855 N PHE A 59 -9.309 7.250 -2.889 1.00 0.00 N ATOM 856 CA PHE A 59 -10.370 6.483 -3.531 1.00 0.00 C ATOM 857 C PHE A 59 -10.866 5.366 -2.618 1.00 0.00 C ATOM 858 O PHE A 59 -12.070 5.189 -2.435 1.00 0.00 O ATOM 859 CB PHE A 59 -9.874 5.895 -4.853 1.00 0.00 C ATOM 860 CG PHE A 59 -8.679 4.996 -4.701 1.00 0.00 C ATOM 861 CD1 PHE A 59 -7.397 5.522 -4.688 1.00 0.00 C ATOM 862 CD2 PHE A 59 -8.840 3.626 -4.571 1.00 0.00 C ATOM 863 CE1 PHE A 59 -6.298 4.697 -4.549 1.00 0.00 C ATOM 864 CE2 PHE A 59 -7.744 2.797 -4.430 1.00 0.00 C ATOM 865 CZ PHE A 59 -6.471 3.332 -4.419 1.00 0.00 C ATOM 0 H PHE A 59 -8.428 6.747 -2.784 1.00 0.00 H new ATOM 0 HA PHE A 59 -11.202 7.159 -3.731 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -10.684 5.333 -5.318 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -9.621 6.710 -5.531 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -7.256 6.588 -4.788 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -9.833 3.202 -4.580 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.304 5.119 -4.542 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -7.883 1.731 -4.328 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.613 2.685 -4.309 1.00 0.00 H new ATOM 875 N THR A 60 -9.930 4.613 -2.049 1.00 0.00 N ATOM 876 CA THR A 60 -10.272 3.512 -1.155 1.00 0.00 C ATOM 877 C THR A 60 -10.916 4.030 0.128 1.00 0.00 C ATOM 878 O THR A 60 -11.900 3.470 0.610 1.00 0.00 O ATOM 879 CB THR A 60 -9.027 2.689 -0.820 1.00 0.00 C ATOM 880 OG1 THR A 60 -9.336 1.672 0.116 1.00 0.00 O ATOM 881 CG2 THR A 60 -7.897 3.515 -0.246 1.00 0.00 C ATOM 0 H THR A 60 -8.929 4.745 -2.191 1.00 0.00 H new ATOM 0 HA THR A 60 -10.991 2.874 -1.668 1.00 0.00 H new ATOM 0 HB THR A 60 -8.697 2.266 -1.769 1.00 0.00 H new ATOM 0 HG1 THR A 60 -10.054 1.107 -0.240 1.00 0.00 H new ATOM 0 HG21 THR A 60 -7.046 2.868 -0.031 1.00 0.00 H new ATOM 0 HG22 THR A 60 -7.601 4.277 -0.967 1.00 0.00 H new ATOM 0 HG23 THR A 60 -8.229 3.995 0.674 1.00 0.00 H new ATOM 889 N ASP A 61 -10.355 5.104 0.676 1.00 0.00 N ATOM 890 CA ASP A 61 -10.875 5.698 1.902 1.00 0.00 C ATOM 891 C ASP A 61 -10.839 4.699 3.054 1.00 0.00 C ATOM 892 O ASP A 61 -11.658 4.763 3.971 1.00 0.00 O ATOM 893 CB ASP A 61 -12.307 6.191 1.685 1.00 0.00 C ATOM 894 CG ASP A 61 -12.616 7.441 2.484 1.00 0.00 C ATOM 895 OD1 ASP A 61 -12.409 7.425 3.716 1.00 0.00 O ATOM 896 OD2 ASP A 61 -13.064 8.437 1.878 1.00 0.00 O ATOM 0 H ASP A 61 -9.540 5.580 0.290 1.00 0.00 H new ATOM 0 HA ASP A 61 -10.239 6.544 2.162 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -12.462 6.393 0.625 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -13.006 5.403 1.965 1.00 0.00 H new ATOM 901 N GLY A 62 -9.883 3.777 3.003 1.00 0.00 N ATOM 902 CA GLY A 62 -9.757 2.780 4.051 1.00 0.00 C ATOM 903 C GLY A 62 -10.648 1.574 3.819 1.00 0.00 C ATOM 904 O GLY A 62 -11.038 0.892 4.766 1.00 0.00 O ATOM 0 H GLY A 62 -9.193 3.702 2.255 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.719 2.453 4.114 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.007 3.233 5.010 1.00 0.00 H new ATOM 908 N VAL A 63 -10.970 1.310 2.557 1.00 0.00 N ATOM 909 CA VAL A 63 -11.820 0.178 2.207 1.00 0.00 C ATOM 910 C VAL A 63 -11.723 -0.143 0.718 1.00 0.00 C ATOM 911 O VAL A 63 -11.795 0.751 -0.125 1.00 0.00 O ATOM 912 CB VAL A 63 -13.293 0.444 2.577 1.00 0.00 C ATOM 913 CG1 VAL A 63 -13.837 1.636 1.804 1.00 0.00 C ATOM 914 CG2 VAL A 63 -14.142 -0.796 2.328 1.00 0.00 C ATOM 0 H VAL A 63 -10.656 1.864 1.760 1.00 0.00 H new ATOM 0 HA VAL A 63 -11.462 -0.677 2.781 1.00 0.00 H new ATOM 0 HB VAL A 63 -13.340 0.681 3.640 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -14.878 1.805 2.081 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -13.249 2.523 2.042 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -13.774 1.435 0.734 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -15.178 -0.587 2.595 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -14.087 -1.069 1.274 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -13.769 -1.620 2.936 1.00 0.00 H new ATOM 924 N TYR A 64 -11.559 -1.424 0.404 1.00 0.00 N ATOM 925 CA TYR A 64 -11.453 -1.863 -0.982 1.00 0.00 C ATOM 926 C TYR A 64 -12.510 -2.915 -1.300 1.00 0.00 C ATOM 927 O TYR A 64 -12.515 -4.001 -0.717 1.00 0.00 O ATOM 928 CB TYR A 64 -10.057 -2.428 -1.255 1.00 0.00 C ATOM 929 CG TYR A 64 -9.702 -2.482 -2.724 1.00 0.00 C ATOM 930 CD1 TYR A 64 -10.116 -3.544 -3.519 1.00 0.00 C ATOM 931 CD2 TYR A 64 -8.954 -1.472 -3.316 1.00 0.00 C ATOM 932 CE1 TYR A 64 -9.793 -3.597 -4.862 1.00 0.00 C ATOM 933 CE2 TYR A 64 -8.627 -1.519 -4.658 1.00 0.00 C ATOM 934 CZ TYR A 64 -9.049 -2.583 -5.427 1.00 0.00 C ATOM 935 OH TYR A 64 -8.727 -2.633 -6.763 1.00 0.00 O ATOM 0 H TYR A 64 -11.497 -2.176 1.091 1.00 0.00 H new ATOM 0 HA TYR A 64 -11.620 -0.999 -1.625 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -9.319 -1.818 -0.734 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -9.993 -3.433 -0.837 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -10.699 -4.340 -3.081 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -8.623 -0.636 -2.718 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -10.122 -4.429 -5.466 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -8.044 -0.726 -5.102 1.00 0.00 H new ATOM 0 HH TYR A 64 -8.201 -1.842 -7.003 1.00 0.00 H new ATOM 945 N GLN A 65 -13.405 -2.588 -2.225 1.00 0.00 N ATOM 946 CA GLN A 65 -14.468 -3.504 -2.620 1.00 0.00 C ATOM 947 C GLN A 65 -15.372 -3.832 -1.434 1.00 0.00 C ATOM 948 O GLN A 65 -15.957 -4.913 -1.366 1.00 0.00 O ATOM 949 CB GLN A 65 -13.871 -4.791 -3.198 1.00 0.00 C ATOM 950 CG GLN A 65 -13.987 -4.888 -4.710 1.00 0.00 C ATOM 951 CD GLN A 65 -13.729 -6.290 -5.225 1.00 0.00 C ATOM 952 OE1 GLN A 65 -14.651 -7.095 -5.358 1.00 0.00 O ATOM 953 NE2 GLN A 65 -12.468 -6.590 -5.518 1.00 0.00 N ATOM 0 H GLN A 65 -13.415 -1.694 -2.716 1.00 0.00 H new ATOM 0 HA GLN A 65 -15.070 -3.016 -3.386 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -12.819 -4.852 -2.918 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -14.371 -5.648 -2.748 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -14.984 -4.570 -5.015 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -13.278 -4.200 -5.170 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -11.735 -5.892 -5.392 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -12.233 -7.519 -5.868 1.00 0.00 H new ATOM 962 N GLY A 66 -15.482 -2.891 -0.501 1.00 0.00 N ATOM 963 CA GLY A 66 -16.315 -3.099 0.667 1.00 0.00 C ATOM 964 C GLY A 66 -15.520 -3.555 1.874 1.00 0.00 C ATOM 965 O GLY A 66 -15.919 -3.317 3.015 1.00 0.00 O ATOM 0 H GLY A 66 -15.008 -1.988 -0.534 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -16.835 -2.172 0.908 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -17.078 -3.842 0.437 1.00 0.00 H new ATOM 969 N LYS A 67 -14.393 -4.213 1.625 1.00 0.00 N ATOM 970 CA LYS A 67 -13.540 -4.705 2.701 1.00 0.00 C ATOM 971 C LYS A 67 -12.729 -3.568 3.315 1.00 0.00 C ATOM 972 O LYS A 67 -11.839 -3.009 2.673 1.00 0.00 O ATOM 973 CB LYS A 67 -12.601 -5.793 2.180 1.00 0.00 C ATOM 974 CG LYS A 67 -11.916 -6.584 3.282 1.00 0.00 C ATOM 975 CD LYS A 67 -12.928 -7.212 4.228 1.00 0.00 C ATOM 976 CE LYS A 67 -12.311 -8.344 5.032 1.00 0.00 C ATOM 977 NZ LYS A 67 -13.328 -9.350 5.447 1.00 0.00 N ATOM 0 H LYS A 67 -14.049 -4.418 0.687 1.00 0.00 H new ATOM 0 HA LYS A 67 -14.181 -5.129 3.474 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.167 -6.479 1.550 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.841 -5.333 1.548 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -11.296 -7.364 2.840 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -11.250 -5.928 3.843 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -13.314 -6.451 4.906 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -13.776 -7.590 3.657 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -11.539 -8.832 4.438 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.822 -7.936 5.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -12.866 -10.105 5.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -14.051 -8.890 6.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -13.777 -9.758 4.603 1.00 0.00 H new ATOM 991 N GLN A 68 -13.040 -3.232 4.563 1.00 0.00 N ATOM 992 CA GLN A 68 -12.339 -2.164 5.265 1.00 0.00 C ATOM 993 C GLN A 68 -11.014 -2.665 5.831 1.00 0.00 C ATOM 994 O GLN A 68 -10.990 -3.435 6.792 1.00 0.00 O ATOM 995 CB GLN A 68 -13.211 -1.606 6.392 1.00 0.00 C ATOM 996 CG GLN A 68 -12.756 -0.246 6.895 1.00 0.00 C ATOM 997 CD GLN A 68 -13.430 0.900 6.167 1.00 0.00 C ATOM 998 OE1 GLN A 68 -14.487 0.729 5.560 1.00 0.00 O ATOM 999 NE2 GLN A 68 -12.821 2.079 6.226 1.00 0.00 N ATOM 0 H GLN A 68 -13.773 -3.685 5.109 1.00 0.00 H new ATOM 0 HA GLN A 68 -12.131 -1.368 4.550 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -14.240 -1.529 6.040 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -13.211 -2.311 7.224 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.967 -0.168 7.962 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.676 -0.162 6.777 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -11.946 2.176 6.741 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -13.229 2.888 5.757 1.00 0.00 H new ATOM 1008 N LEU A 69 -9.914 -2.226 5.229 1.00 0.00 N ATOM 1009 CA LEU A 69 -8.586 -2.631 5.674 1.00 0.00 C ATOM 1010 C LEU A 69 -8.080 -1.720 6.787 1.00 0.00 C ATOM 1011 O LEU A 69 -7.329 -2.151 7.662 1.00 0.00 O ATOM 1012 CB LEU A 69 -7.605 -2.613 4.499 1.00 0.00 C ATOM 1013 CG LEU A 69 -7.817 -3.716 3.460 1.00 0.00 C ATOM 1014 CD1 LEU A 69 -6.740 -3.654 2.388 1.00 0.00 C ATOM 1015 CD2 LEU A 69 -7.826 -5.082 4.129 1.00 0.00 C ATOM 0 H LEU A 69 -9.916 -1.590 4.432 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.657 -3.646 6.066 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.677 -1.647 4.000 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.591 -2.694 4.891 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.785 -3.559 2.984 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.907 -4.446 1.658 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.779 -2.686 1.889 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.761 -3.786 2.848 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.978 -5.855 3.376 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.873 -5.247 4.632 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.634 -5.124 4.860 1.00 0.00 H new ATOM 1027 N PHE A 70 -8.496 -0.458 6.748 1.00 0.00 N ATOM 1028 CA PHE A 70 -8.084 0.513 7.754 1.00 0.00 C ATOM 1029 C PHE A 70 -9.022 1.716 7.765 1.00 0.00 C ATOM 1030 O PHE A 70 -9.777 1.936 6.817 1.00 0.00 O ATOM 1031 CB PHE A 70 -6.649 0.973 7.491 1.00 0.00 C ATOM 1032 CG PHE A 70 -6.471 1.652 6.164 1.00 0.00 C ATOM 1033 CD1 PHE A 70 -6.587 0.936 4.983 1.00 0.00 C ATOM 1034 CD2 PHE A 70 -6.188 3.007 6.095 1.00 0.00 C ATOM 1035 CE1 PHE A 70 -6.425 1.557 3.760 1.00 0.00 C ATOM 1036 CE2 PHE A 70 -6.024 3.634 4.874 1.00 0.00 C ATOM 1037 CZ PHE A 70 -6.143 2.908 3.706 1.00 0.00 C ATOM 0 H PHE A 70 -9.118 -0.085 6.031 1.00 0.00 H new ATOM 0 HA PHE A 70 -8.130 0.030 8.730 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -6.344 1.656 8.284 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -5.985 0.110 7.541 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -6.807 -0.121 5.019 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.095 3.580 7.006 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -6.519 0.987 2.847 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -5.803 4.690 4.834 1.00 0.00 H new ATOM 0 HZ PHE A 70 -6.016 3.396 2.751 1.00 0.00 H new ATOM 1047 N GLN A 71 -8.970 2.493 8.842 1.00 0.00 N ATOM 1048 CA GLN A 71 -9.814 3.673 8.974 1.00 0.00 C ATOM 1049 C GLN A 71 -9.043 4.938 8.611 1.00 0.00 C ATOM 1050 O GLN A 71 -7.918 5.145 9.068 1.00 0.00 O ATOM 1051 CB GLN A 71 -10.353 3.784 10.402 1.00 0.00 C ATOM 1052 CG GLN A 71 -11.584 4.668 10.521 1.00 0.00 C ATOM 1053 CD GLN A 71 -11.246 6.082 10.951 1.00 0.00 C ATOM 1054 OE1 GLN A 71 -10.596 6.828 10.218 1.00 0.00 O ATOM 1055 NE2 GLN A 71 -11.686 6.458 12.147 1.00 0.00 N ATOM 0 H GLN A 71 -8.352 2.326 9.636 1.00 0.00 H new ATOM 0 HA GLN A 71 -10.651 3.568 8.284 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -10.596 2.786 10.768 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -9.569 4.179 11.048 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -12.100 4.697 9.561 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -12.274 4.228 11.241 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -12.221 5.807 12.721 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -11.489 7.398 12.491 1.00 0.00 H new ATOM 1064 N CYS A 72 -9.656 5.782 7.787 1.00 0.00 N ATOM 1065 CA CYS A 72 -9.028 7.027 7.362 1.00 0.00 C ATOM 1066 C CYS A 72 -10.080 8.094 7.074 1.00 0.00 C ATOM 1067 O CYS A 72 -11.276 7.807 7.039 1.00 0.00 O ATOM 1068 CB CYS A 72 -8.167 6.790 6.119 1.00 0.00 C ATOM 1069 SG CYS A 72 -6.390 6.748 6.450 1.00 0.00 S ATOM 0 H CYS A 72 -10.587 5.626 7.401 1.00 0.00 H new ATOM 0 HA CYS A 72 -8.391 7.381 8.172 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -8.463 5.847 5.660 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -8.372 7.576 5.393 1.00 0.00 H new ATOM 0 HG CYS A 72 -5.961 5.524 6.361 1.00 0.00 H new ATOM 1075 N ASP A 73 -9.625 9.325 6.866 1.00 0.00 N ATOM 1076 CA ASP A 73 -10.528 10.434 6.581 1.00 0.00 C ATOM 1077 C ASP A 73 -11.143 10.289 5.192 1.00 0.00 C ATOM 1078 O ASP A 73 -10.860 9.331 4.474 1.00 0.00 O ATOM 1079 CB ASP A 73 -9.783 11.766 6.685 1.00 0.00 C ATOM 1080 CG ASP A 73 -9.726 12.286 8.108 1.00 0.00 C ATOM 1081 OD1 ASP A 73 -10.761 12.224 8.804 1.00 0.00 O ATOM 1082 OD2 ASP A 73 -8.648 12.756 8.526 1.00 0.00 O ATOM 0 H ASP A 73 -8.638 9.580 6.889 1.00 0.00 H new ATOM 0 HA ASP A 73 -11.330 10.417 7.319 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -8.769 11.643 6.305 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.274 12.504 6.051 1.00 0.00 H new ATOM 1087 N GLU A 74 -11.987 11.246 4.822 1.00 0.00 N ATOM 1088 CA GLU A 74 -12.643 11.224 3.519 1.00 0.00 C ATOM 1089 C GLU A 74 -11.665 11.599 2.411 1.00 0.00 C ATOM 1090 O GLU A 74 -11.122 12.703 2.395 1.00 0.00 O ATOM 1091 CB GLU A 74 -13.836 12.182 3.509 1.00 0.00 C ATOM 1092 CG GLU A 74 -15.060 11.622 2.804 1.00 0.00 C ATOM 1093 CD GLU A 74 -16.332 12.363 3.167 1.00 0.00 C ATOM 1094 OE1 GLU A 74 -16.775 12.248 4.330 1.00 0.00 O ATOM 1095 OE2 GLU A 74 -16.887 13.059 2.290 1.00 0.00 O ATOM 0 H GLU A 74 -12.233 12.046 5.405 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.999 10.210 3.336 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -14.101 12.430 4.537 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -13.541 13.112 3.023 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -14.909 11.674 1.726 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -15.172 10.568 3.060 1.00 0.00 H new ATOM 1102 N ASP A 75 -11.447 10.672 1.483 1.00 0.00 N ATOM 1103 CA ASP A 75 -10.534 10.904 0.369 1.00 0.00 C ATOM 1104 C ASP A 75 -9.116 11.164 0.870 1.00 0.00 C ATOM 1105 O ASP A 75 -8.486 12.156 0.501 1.00 0.00 O ATOM 1106 CB ASP A 75 -11.017 12.087 -0.473 1.00 0.00 C ATOM 1107 CG ASP A 75 -11.990 11.666 -1.558 1.00 0.00 C ATOM 1108 OD1 ASP A 75 -13.122 11.263 -1.217 1.00 0.00 O ATOM 1109 OD2 ASP A 75 -11.619 11.738 -2.749 1.00 0.00 O ATOM 0 H ASP A 75 -11.890 9.753 1.480 1.00 0.00 H new ATOM 0 HA ASP A 75 -10.520 10.007 -0.250 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -11.496 12.820 0.176 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -10.158 12.579 -0.930 1.00 0.00 H new ATOM 1114 N CYS A 76 -8.618 10.265 1.713 1.00 0.00 N ATOM 1115 CA CYS A 76 -7.274 10.396 2.264 1.00 0.00 C ATOM 1116 C CYS A 76 -6.488 9.100 2.099 1.00 0.00 C ATOM 1117 O CYS A 76 -5.369 9.102 1.585 1.00 0.00 O ATOM 1118 CB CYS A 76 -7.343 10.780 3.744 1.00 0.00 C ATOM 1119 SG CYS A 76 -7.716 12.525 4.036 1.00 0.00 S ATOM 0 H CYS A 76 -9.125 9.438 2.029 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.758 11.183 1.714 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -8.104 10.170 4.232 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -6.390 10.539 4.216 1.00 0.00 H new ATOM 0 HG CYS A 76 -8.124 13.073 2.930 1.00 0.00 H new ATOM 1125 N GLY A 77 -7.080 7.994 2.539 1.00 0.00 N ATOM 1126 CA GLY A 77 -6.420 6.707 2.430 1.00 0.00 C ATOM 1127 C GLY A 77 -6.197 6.289 0.990 1.00 0.00 C ATOM 1128 O GLY A 77 -7.074 6.460 0.144 1.00 0.00 O ATOM 0 H GLY A 77 -8.005 7.967 2.969 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.460 6.750 2.945 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -7.020 5.951 2.936 1.00 0.00 H new ATOM 1132 N VAL A 78 -5.019 5.740 0.712 1.00 0.00 N ATOM 1133 CA VAL A 78 -4.683 5.295 -0.636 1.00 0.00 C ATOM 1134 C VAL A 78 -3.709 4.122 -0.603 1.00 0.00 C ATOM 1135 O VAL A 78 -2.787 4.092 0.212 1.00 0.00 O ATOM 1136 CB VAL A 78 -4.066 6.436 -1.467 1.00 0.00 C ATOM 1137 CG1 VAL A 78 -5.105 7.505 -1.762 1.00 0.00 C ATOM 1138 CG2 VAL A 78 -2.867 7.034 -0.745 1.00 0.00 C ATOM 0 H VAL A 78 -4.282 5.593 1.401 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.615 4.977 -1.104 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.723 6.024 -2.416 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.650 8.302 -2.350 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.930 7.066 -2.323 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.482 7.915 -0.825 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.444 7.838 -1.347 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.184 7.430 0.220 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.113 6.262 -0.590 1.00 0.00 H new ATOM 1148 N PHE A 79 -3.920 3.159 -1.493 1.00 0.00 N ATOM 1149 CA PHE A 79 -3.061 1.983 -1.566 1.00 0.00 C ATOM 1150 C PHE A 79 -2.114 2.076 -2.758 1.00 0.00 C ATOM 1151 O PHE A 79 -2.550 2.203 -3.902 1.00 0.00 O ATOM 1152 CB PHE A 79 -3.907 0.712 -1.670 1.00 0.00 C ATOM 1153 CG PHE A 79 -4.169 0.055 -0.345 1.00 0.00 C ATOM 1154 CD1 PHE A 79 -3.119 -0.326 0.475 1.00 0.00 C ATOM 1155 CD2 PHE A 79 -5.466 -0.182 0.080 1.00 0.00 C ATOM 1156 CE1 PHE A 79 -3.358 -0.931 1.694 1.00 0.00 C ATOM 1157 CE2 PHE A 79 -5.711 -0.787 1.298 1.00 0.00 C ATOM 1158 CZ PHE A 79 -4.656 -1.162 2.106 1.00 0.00 C ATOM 0 H PHE A 79 -4.679 3.170 -2.174 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.466 1.941 -0.654 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -4.860 0.957 -2.140 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -3.402 0.002 -2.325 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -2.102 -0.148 0.158 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -6.295 0.109 -0.548 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -2.531 -1.223 2.324 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -6.727 -0.966 1.618 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.845 -1.635 3.058 1.00 0.00 H new ATOM 1168 N VAL A 80 -0.816 2.008 -2.482 1.00 0.00 N ATOM 1169 CA VAL A 80 0.194 2.082 -3.531 1.00 0.00 C ATOM 1170 C VAL A 80 1.399 1.209 -3.199 1.00 0.00 C ATOM 1171 O VAL A 80 1.570 0.779 -2.058 1.00 0.00 O ATOM 1172 CB VAL A 80 0.669 3.530 -3.755 1.00 0.00 C ATOM 1173 CG1 VAL A 80 -0.377 4.324 -4.520 1.00 0.00 C ATOM 1174 CG2 VAL A 80 0.992 4.199 -2.428 1.00 0.00 C ATOM 0 H VAL A 80 -0.439 1.902 -1.540 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.275 1.717 -4.445 1.00 0.00 H new ATOM 0 HB VAL A 80 1.580 3.504 -4.353 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -0.023 5.344 -4.668 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.552 3.856 -5.489 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.307 4.342 -3.952 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.326 5.221 -2.607 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.100 4.213 -1.801 1.00 0.00 H new ATOM 0 HG23 VAL A 80 1.782 3.643 -1.923 1.00 0.00 H new ATOM 1184 N ALA A 81 2.229 0.949 -4.202 1.00 0.00 N ATOM 1185 CA ALA A 81 3.418 0.125 -4.016 1.00 0.00 C ATOM 1186 C ALA A 81 4.525 0.905 -3.315 1.00 0.00 C ATOM 1187 O ALA A 81 4.562 2.134 -3.366 1.00 0.00 O ATOM 1188 CB ALA A 81 3.908 -0.401 -5.357 1.00 0.00 C ATOM 0 H ALA A 81 2.101 1.297 -5.152 1.00 0.00 H new ATOM 0 HA ALA A 81 3.149 -0.719 -3.381 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.796 -1.015 -5.205 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.126 -1.003 -5.819 1.00 0.00 H new ATOM 0 HB3 ALA A 81 4.154 0.437 -6.009 1.00 0.00 H new ATOM 1194 N LEU A 82 5.427 0.179 -2.659 1.00 0.00 N ATOM 1195 CA LEU A 82 6.538 0.801 -1.944 1.00 0.00 C ATOM 1196 C LEU A 82 7.268 1.797 -2.841 1.00 0.00 C ATOM 1197 O LEU A 82 7.649 2.882 -2.400 1.00 0.00 O ATOM 1198 CB LEU A 82 7.514 -0.269 -1.449 1.00 0.00 C ATOM 1199 CG LEU A 82 8.751 0.268 -0.726 1.00 0.00 C ATOM 1200 CD1 LEU A 82 8.423 0.594 0.723 1.00 0.00 C ATOM 1201 CD2 LEU A 82 9.889 -0.738 -0.805 1.00 0.00 C ATOM 0 H LEU A 82 5.410 -0.840 -2.608 1.00 0.00 H new ATOM 0 HA LEU A 82 6.134 1.339 -1.086 1.00 0.00 H new ATOM 0 HB2 LEU A 82 6.982 -0.941 -0.776 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.840 -0.864 -2.302 1.00 0.00 H new ATOM 0 HG LEU A 82 9.069 1.187 -1.219 1.00 0.00 H new ATOM 0 HD11 LEU A 82 9.315 0.975 1.221 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.638 1.349 0.757 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.081 -0.308 1.230 1.00 0.00 H new ATOM 0 HD21 LEU A 82 10.762 -0.342 -0.286 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.582 -1.673 -0.336 1.00 0.00 H new ATOM 0 HD23 LEU A 82 10.140 -0.922 -1.850 1.00 0.00 H new ATOM 1213 N ASP A 83 7.452 1.422 -4.102 1.00 0.00 N ATOM 1214 CA ASP A 83 8.128 2.282 -5.065 1.00 0.00 C ATOM 1215 C ASP A 83 7.401 3.616 -5.194 1.00 0.00 C ATOM 1216 O ASP A 83 8.014 4.645 -5.473 1.00 0.00 O ATOM 1217 CB ASP A 83 8.208 1.596 -6.429 1.00 0.00 C ATOM 1218 CG ASP A 83 9.173 2.289 -7.370 1.00 0.00 C ATOM 1219 OD1 ASP A 83 10.199 2.814 -6.889 1.00 0.00 O ATOM 1220 OD2 ASP A 83 8.902 2.308 -8.589 1.00 0.00 O ATOM 0 H ASP A 83 7.142 0.527 -4.481 1.00 0.00 H new ATOM 0 HA ASP A 83 9.140 2.469 -4.705 1.00 0.00 H new ATOM 0 HB2 ASP A 83 8.518 0.560 -6.294 1.00 0.00 H new ATOM 0 HB3 ASP A 83 7.216 1.575 -6.881 1.00 0.00 H new ATOM 1225 N LYS A 84 6.088 3.589 -4.984 1.00 0.00 N ATOM 1226 CA LYS A 84 5.277 4.797 -5.072 1.00 0.00 C ATOM 1227 C LYS A 84 5.413 5.637 -3.804 1.00 0.00 C ATOM 1228 O LYS A 84 5.183 6.845 -3.822 1.00 0.00 O ATOM 1229 CB LYS A 84 3.809 4.438 -5.306 1.00 0.00 C ATOM 1230 CG LYS A 84 3.508 4.006 -6.732 1.00 0.00 C ATOM 1231 CD LYS A 84 2.772 5.092 -7.502 1.00 0.00 C ATOM 1232 CE LYS A 84 2.916 4.905 -9.004 1.00 0.00 C ATOM 1233 NZ LYS A 84 2.388 6.073 -9.761 1.00 0.00 N ATOM 0 H LYS A 84 5.565 2.745 -4.752 1.00 0.00 H new ATOM 0 HA LYS A 84 5.637 5.385 -5.916 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.527 3.635 -4.625 1.00 0.00 H new ATOM 0 HB3 LYS A 84 3.189 5.299 -5.058 1.00 0.00 H new ATOM 0 HG2 LYS A 84 4.439 3.764 -7.244 1.00 0.00 H new ATOM 0 HG3 LYS A 84 2.906 3.097 -6.718 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.716 5.079 -7.232 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.162 6.069 -7.217 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.967 4.756 -9.252 1.00 0.00 H new ATOM 0 HE3 LYS A 84 2.385 4.004 -9.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.504 5.907 -10.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.379 6.200 -9.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.911 6.929 -9.488 1.00 0.00 H new ATOM 1247 N LEU A 85 5.789 4.987 -2.704 1.00 0.00 N ATOM 1248 CA LEU A 85 5.955 5.678 -1.431 1.00 0.00 C ATOM 1249 C LEU A 85 7.325 6.344 -1.347 1.00 0.00 C ATOM 1250 O LEU A 85 8.318 5.805 -1.836 1.00 0.00 O ATOM 1251 CB LEU A 85 5.781 4.698 -0.268 1.00 0.00 C ATOM 1252 CG LEU A 85 4.435 3.973 -0.231 1.00 0.00 C ATOM 1253 CD1 LEU A 85 4.355 3.062 0.985 1.00 0.00 C ATOM 1254 CD2 LEU A 85 3.291 4.974 -0.226 1.00 0.00 C ATOM 0 H LEU A 85 5.983 3.986 -2.670 1.00 0.00 H new ATOM 0 HA LEU A 85 5.190 6.451 -1.364 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.576 3.954 -0.317 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.910 5.241 0.668 1.00 0.00 H new ATOM 0 HG LEU A 85 4.349 3.358 -1.127 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.391 2.554 0.996 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.154 2.323 0.939 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.462 3.656 1.892 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.341 4.441 -0.200 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.372 5.615 0.652 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.339 5.586 -1.127 1.00 0.00 H new ATOM 1266 N GLU A 86 7.371 7.516 -0.723 1.00 0.00 N ATOM 1267 CA GLU A 86 8.619 8.255 -0.575 1.00 0.00 C ATOM 1268 C GLU A 86 8.824 8.688 0.873 1.00 0.00 C ATOM 1269 O GLU A 86 8.282 9.703 1.311 1.00 0.00 O ATOM 1270 CB GLU A 86 8.625 9.480 -1.492 1.00 0.00 C ATOM 1271 CG GLU A 86 9.972 9.744 -2.145 1.00 0.00 C ATOM 1272 CD GLU A 86 10.368 11.207 -2.093 1.00 0.00 C ATOM 1273 OE1 GLU A 86 10.425 11.767 -0.979 1.00 0.00 O ATOM 1274 OE2 GLU A 86 10.621 11.791 -3.167 1.00 0.00 O ATOM 0 H GLU A 86 6.558 7.975 -0.312 1.00 0.00 H new ATOM 0 HA GLU A 86 9.439 7.595 -0.859 1.00 0.00 H new ATOM 0 HB2 GLU A 86 7.874 9.345 -2.270 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.332 10.357 -0.915 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.736 9.147 -1.648 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.938 9.417 -3.184 1.00 0.00 H new ATOM 1281 N LEU A 87 9.611 7.913 1.612 1.00 0.00 N ATOM 1282 CA LEU A 87 9.888 8.215 3.012 1.00 0.00 C ATOM 1283 C LEU A 87 10.528 9.591 3.157 1.00 0.00 C ATOM 1284 O LEU A 87 11.491 9.915 2.461 1.00 0.00 O ATOM 1285 CB LEU A 87 10.804 7.147 3.613 1.00 0.00 C ATOM 1286 CG LEU A 87 10.923 7.180 5.138 1.00 0.00 C ATOM 1287 CD1 LEU A 87 9.619 6.743 5.785 1.00 0.00 C ATOM 1288 CD2 LEU A 87 12.072 6.296 5.601 1.00 0.00 C ATOM 0 H LEU A 87 10.069 7.070 1.264 1.00 0.00 H new ATOM 0 HA LEU A 87 8.941 8.218 3.551 1.00 0.00 H new ATOM 0 HB2 LEU A 87 10.437 6.165 3.314 1.00 0.00 H new ATOM 0 HB3 LEU A 87 11.799 7.260 3.184 1.00 0.00 H new ATOM 0 HG LEU A 87 11.131 8.205 5.445 1.00 0.00 H new ATOM 0 HD11 LEU A 87 9.723 6.773 6.870 1.00 0.00 H new ATOM 0 HD12 LEU A 87 8.818 7.415 5.479 1.00 0.00 H new ATOM 0 HD13 LEU A 87 9.380 5.727 5.471 1.00 0.00 H new ATOM 0 HD21 LEU A 87 12.143 6.331 6.688 1.00 0.00 H new ATOM 0 HD22 LEU A 87 11.893 5.269 5.282 1.00 0.00 H new ATOM 0 HD23 LEU A 87 13.005 6.654 5.165 1.00 0.00 H new ATOM 1300 N ILE A 88 9.989 10.397 4.065 1.00 0.00 N ATOM 1301 CA ILE A 88 10.507 11.738 4.302 1.00 0.00 C ATOM 1302 C ILE A 88 11.704 11.705 5.247 1.00 0.00 C ATOM 1303 O ILE A 88 11.816 10.815 6.091 1.00 0.00 O ATOM 1304 CB ILE A 88 9.426 12.664 4.893 1.00 0.00 C ATOM 1305 CG1 ILE A 88 8.144 12.583 4.063 1.00 0.00 C ATOM 1306 CG2 ILE A 88 9.932 14.097 4.956 1.00 0.00 C ATOM 1307 CD1 ILE A 88 6.909 13.035 4.812 1.00 0.00 C ATOM 0 H ILE A 88 9.192 10.144 4.649 1.00 0.00 H new ATOM 0 HA ILE A 88 10.820 12.131 3.335 1.00 0.00 H new ATOM 0 HB ILE A 88 9.202 12.333 5.907 1.00 0.00 H new ATOM 0 HG12 ILE A 88 8.261 13.195 3.169 1.00 0.00 H new ATOM 0 HG13 ILE A 88 8.001 11.555 3.730 1.00 0.00 H new ATOM 0 HG21 ILE A 88 9.157 14.738 5.376 1.00 0.00 H new ATOM 0 HG22 ILE A 88 10.820 14.142 5.586 1.00 0.00 H new ATOM 0 HG23 ILE A 88 10.182 14.439 3.952 1.00 0.00 H new ATOM 0 HD11 ILE A 88 6.038 12.951 4.162 1.00 0.00 H new ATOM 0 HD12 ILE A 88 6.767 12.408 5.692 1.00 0.00 H new ATOM 0 HD13 ILE A 88 7.031 14.073 5.122 1.00 0.00 H new