USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 611 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 14 LYS NZ :NH3+ -159:sc= -1.59 (180deg=-2.7) USER MOD Set 1.2: A 49 GLN : amide:sc= -0.0141 K(o=-1.6,f=-4) USER MOD Set 2.1: A 30 GLN : amide:sc= -1.66 K(o=-1.6,f=-4.2!) USER MOD Set 2.2: A 31 ASN : amide:sc= 0.0827 K(o=-1.6,f=-5.5!) USER MOD Single : A 8 SER OG : rot 27:sc= 0.0313 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl -153:sc= 0 (180deg=-0.00181) USER MOD Single : A 23 LYS NZ :NH3+ 135:sc= -0.19 (180deg=-2.28!) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.094) USER MOD Single : A 28 GLN : amide:sc=-0.00804 X(o=-0.008,f=-0.027) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot -70:sc= 0.716 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 73 GLN : amide:sc= -0.481 X(o=-0.48,f=-0.16) USER MOD Single : A 74 THR OG1 : rot 67:sc= 0.575 USER MOD Single : A 77 THR OG1 : rot 70:sc= 0.0962 USER MOD Single : A 78 TYR OH : rot -100:sc= -0.533 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N SER A 8 6.365 15.791 -0.882 1.00 0.00 N ATOM 67 CA SER A 8 5.463 14.948 -0.106 1.00 0.00 C ATOM 68 C SER A 8 4.395 14.327 -1.002 1.00 0.00 C ATOM 69 O SER A 8 4.110 13.133 -0.913 1.00 0.00 O ATOM 70 CB SER A 8 4.801 15.762 1.007 1.00 0.00 C ATOM 71 OG SER A 8 5.764 16.240 1.930 1.00 0.00 O ATOM 0 HA SER A 8 6.050 14.145 0.341 1.00 0.00 H new ATOM 0 HB2 SER A 8 4.259 16.603 0.574 1.00 0.00 H new ATOM 0 HB3 SER A 8 4.069 15.145 1.527 1.00 0.00 H new ATOM 0 HG SER A 8 6.630 16.334 1.480 1.00 0.00 H new ATOM 77 N ILE A 9 3.807 15.148 -1.866 1.00 0.00 N ATOM 78 CA ILE A 9 2.771 14.682 -2.780 1.00 0.00 C ATOM 79 C ILE A 9 3.214 13.421 -3.515 1.00 0.00 C ATOM 80 O ILE A 9 2.537 12.394 -3.473 1.00 0.00 O ATOM 81 CB ILE A 9 2.402 15.762 -3.813 1.00 0.00 C ATOM 82 CG1 ILE A 9 1.576 16.868 -3.154 1.00 0.00 C ATOM 83 CG2 ILE A 9 1.639 15.145 -4.976 1.00 0.00 C ATOM 84 CD1 ILE A 9 0.767 17.684 -4.137 1.00 0.00 C ATOM 0 H ILE A 9 4.030 16.139 -1.952 1.00 0.00 H new ATOM 0 HA ILE A 9 1.893 14.458 -2.174 1.00 0.00 H new ATOM 0 HB ILE A 9 3.321 16.202 -4.200 1.00 0.00 H new ATOM 0 HG12 ILE A 9 0.902 16.421 -2.424 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.244 17.532 -2.606 1.00 0.00 H new ATOM 0 HG21 ILE A 9 1.385 15.922 -5.698 1.00 0.00 H new ATOM 0 HG22 ILE A 9 2.260 14.390 -5.459 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.725 14.681 -4.606 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.206 18.449 -3.600 1.00 0.00 H new ATOM 0 HD12 ILE A 9 1.437 18.160 -4.853 1.00 0.00 H new ATOM 0 HD13 ILE A 9 0.074 17.032 -4.668 1.00 0.00 H new ATOM 96 N LEU A 10 4.356 13.505 -4.187 1.00 0.00 N ATOM 97 CA LEU A 10 4.893 12.371 -4.931 1.00 0.00 C ATOM 98 C LEU A 10 5.188 11.200 -4.000 1.00 0.00 C ATOM 99 O LEU A 10 4.686 10.092 -4.198 1.00 0.00 O ATOM 100 CB LEU A 10 6.166 12.779 -5.674 1.00 0.00 C ATOM 101 CG LEU A 10 5.964 13.443 -7.038 1.00 0.00 C ATOM 102 CD1 LEU A 10 5.320 14.810 -6.876 1.00 0.00 C ATOM 103 CD2 LEU A 10 7.289 13.558 -7.776 1.00 0.00 C ATOM 0 H LEU A 10 4.929 14.348 -4.232 1.00 0.00 H new ATOM 0 HA LEU A 10 4.142 12.056 -5.656 1.00 0.00 H new ATOM 0 HB2 LEU A 10 6.730 13.463 -5.039 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.783 11.891 -5.812 1.00 0.00 H new ATOM 0 HG LEU A 10 5.295 12.818 -7.630 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.184 15.267 -7.856 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.351 14.700 -6.390 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.962 15.445 -6.266 1.00 0.00 H new ATOM 0 HD21 LEU A 10 7.126 14.032 -8.744 1.00 0.00 H new ATOM 0 HD22 LEU A 10 7.982 14.160 -7.188 1.00 0.00 H new ATOM 0 HD23 LEU A 10 7.710 12.564 -7.925 1.00 0.00 H new ATOM 115 N LYS A 11 6.004 11.451 -2.982 1.00 0.00 N ATOM 116 CA LYS A 11 6.363 10.419 -2.016 1.00 0.00 C ATOM 117 C LYS A 11 5.188 9.482 -1.757 1.00 0.00 C ATOM 118 O LYS A 11 5.362 8.268 -1.649 1.00 0.00 O ATOM 119 CB LYS A 11 6.820 11.058 -0.703 1.00 0.00 C ATOM 120 CG LYS A 11 8.310 11.344 -0.650 1.00 0.00 C ATOM 121 CD LYS A 11 8.632 12.725 -1.196 1.00 0.00 C ATOM 122 CE LYS A 11 10.120 13.028 -1.102 1.00 0.00 C ATOM 123 NZ LYS A 11 10.876 12.465 -2.256 1.00 0.00 N ATOM 0 H LYS A 11 6.430 12.361 -2.804 1.00 0.00 H new ATOM 0 HA LYS A 11 7.183 9.835 -2.434 1.00 0.00 H new ATOM 0 HB2 LYS A 11 6.275 11.990 -0.553 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.556 10.398 0.123 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.660 11.268 0.380 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.847 10.590 -1.225 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.311 12.790 -2.236 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.071 13.477 -0.641 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.269 14.107 -1.062 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.516 12.617 -0.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.886 12.693 -2.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.755 11.432 -2.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.516 12.876 -3.141 1.00 0.00 H new ATOM 137 N ILE A 12 3.992 10.054 -1.660 1.00 0.00 N ATOM 138 CA ILE A 12 2.788 9.270 -1.416 1.00 0.00 C ATOM 139 C ILE A 12 2.256 8.663 -2.711 1.00 0.00 C ATOM 140 O ILE A 12 1.889 7.489 -2.752 1.00 0.00 O ATOM 141 CB ILE A 12 1.681 10.122 -0.769 1.00 0.00 C ATOM 142 CG1 ILE A 12 2.184 10.745 0.535 1.00 0.00 C ATOM 143 CG2 ILE A 12 0.441 9.278 -0.516 1.00 0.00 C ATOM 144 CD1 ILE A 12 1.524 12.064 0.869 1.00 0.00 C ATOM 0 H ILE A 12 3.832 11.058 -1.747 1.00 0.00 H new ATOM 0 HA ILE A 12 3.066 8.471 -0.729 1.00 0.00 H new ATOM 0 HB ILE A 12 1.414 10.926 -1.455 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.012 10.045 1.353 1.00 0.00 H new ATOM 0 HG13 ILE A 12 3.261 10.895 0.465 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.332 9.895 -0.058 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.074 8.878 -1.461 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.691 8.455 0.153 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.929 12.447 1.806 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.717 12.780 0.070 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.449 11.917 0.972 1.00 0.00 H new ATOM 156 N GLU A 13 2.218 9.472 -3.765 1.00 0.00 N ATOM 157 CA GLU A 13 1.732 9.014 -5.061 1.00 0.00 C ATOM 158 C GLU A 13 2.212 7.595 -5.352 1.00 0.00 C ATOM 159 O GLU A 13 1.440 6.743 -5.791 1.00 0.00 O ATOM 160 CB GLU A 13 2.199 9.959 -6.169 1.00 0.00 C ATOM 161 CG GLU A 13 1.298 11.169 -6.356 1.00 0.00 C ATOM 162 CD GLU A 13 -0.004 10.824 -7.052 1.00 0.00 C ATOM 163 OE1 GLU A 13 0.045 10.392 -8.222 1.00 0.00 O ATOM 164 OE2 GLU A 13 -1.073 10.986 -6.426 1.00 0.00 O ATOM 0 H GLU A 13 2.518 10.447 -3.747 1.00 0.00 H new ATOM 0 HA GLU A 13 0.642 9.012 -5.031 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.209 10.300 -5.942 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.252 9.407 -7.108 1.00 0.00 H new ATOM 0 HG2 GLU A 13 1.080 11.609 -5.383 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.827 11.925 -6.936 1.00 0.00 H new ATOM 171 N LYS A 14 3.495 7.349 -5.106 1.00 0.00 N ATOM 172 CA LYS A 14 4.081 6.035 -5.340 1.00 0.00 C ATOM 173 C LYS A 14 3.433 4.982 -4.446 1.00 0.00 C ATOM 174 O LYS A 14 3.012 3.926 -4.918 1.00 0.00 O ATOM 175 CB LYS A 14 5.590 6.073 -5.087 1.00 0.00 C ATOM 176 CG LYS A 14 6.404 6.423 -6.320 1.00 0.00 C ATOM 177 CD LYS A 14 6.601 7.924 -6.453 1.00 0.00 C ATOM 178 CE LYS A 14 7.858 8.385 -5.730 1.00 0.00 C ATOM 179 NZ LYS A 14 7.699 8.328 -4.250 1.00 0.00 N ATOM 0 H LYS A 14 4.149 8.043 -4.744 1.00 0.00 H new ATOM 0 HA LYS A 14 3.899 5.766 -6.380 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.801 6.801 -4.304 1.00 0.00 H new ATOM 0 HB3 LYS A 14 5.912 5.101 -4.713 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.375 5.931 -6.267 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.902 6.041 -7.209 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.667 8.192 -7.508 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.734 8.444 -6.046 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.699 7.760 -6.029 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.096 9.405 -6.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.395 8.957 -3.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.739 8.633 -3.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.852 7.353 -3.922 1.00 0.00 H new ATOM 193 N VAL A 15 3.352 5.279 -3.153 1.00 0.00 N ATOM 194 CA VAL A 15 2.752 4.359 -2.193 1.00 0.00 C ATOM 195 C VAL A 15 1.473 3.743 -2.748 1.00 0.00 C ATOM 196 O VAL A 15 1.317 2.521 -2.766 1.00 0.00 O ATOM 197 CB VAL A 15 2.432 5.067 -0.863 1.00 0.00 C ATOM 198 CG1 VAL A 15 1.754 4.107 0.103 1.00 0.00 C ATOM 199 CG2 VAL A 15 3.698 5.648 -0.250 1.00 0.00 C ATOM 0 H VAL A 15 3.694 6.149 -2.746 1.00 0.00 H new ATOM 0 HA VAL A 15 3.482 3.571 -2.011 1.00 0.00 H new ATOM 0 HB VAL A 15 1.744 5.888 -1.065 1.00 0.00 H new ATOM 0 HG11 VAL A 15 1.535 4.625 1.037 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.825 3.744 -0.337 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.415 3.263 0.302 1.00 0.00 H new ATOM 0 HG21 VAL A 15 3.453 6.144 0.689 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.412 4.846 -0.061 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.137 6.370 -0.938 1.00 0.00 H new ATOM 209 N LEU A 16 0.561 4.595 -3.202 1.00 0.00 N ATOM 210 CA LEU A 16 -0.706 4.134 -3.760 1.00 0.00 C ATOM 211 C LEU A 16 -0.509 3.568 -5.162 1.00 0.00 C ATOM 212 O LEU A 16 -0.883 2.429 -5.443 1.00 0.00 O ATOM 213 CB LEU A 16 -1.716 5.281 -3.796 1.00 0.00 C ATOM 214 CG LEU A 16 -2.057 5.920 -2.449 1.00 0.00 C ATOM 215 CD1 LEU A 16 -2.929 7.151 -2.647 1.00 0.00 C ATOM 216 CD2 LEU A 16 -2.749 4.914 -1.542 1.00 0.00 C ATOM 0 H LEU A 16 0.675 5.609 -3.195 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.091 3.340 -3.120 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.330 6.058 -4.456 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.639 4.912 -4.244 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.128 6.232 -1.971 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.161 7.592 -1.678 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.397 7.879 -3.259 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.855 6.865 -3.147 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.984 5.386 -0.588 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.670 4.571 -2.014 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.090 4.063 -1.373 1.00 0.00 H new ATOM 228 N LYS A 17 0.082 4.371 -6.041 1.00 0.00 N ATOM 229 CA LYS A 17 0.332 3.952 -7.415 1.00 0.00 C ATOM 230 C LYS A 17 0.676 2.466 -7.476 1.00 0.00 C ATOM 231 O LYS A 17 -0.003 1.690 -8.147 1.00 0.00 O ATOM 232 CB LYS A 17 1.470 4.774 -8.022 1.00 0.00 C ATOM 233 CG LYS A 17 1.004 6.060 -8.684 1.00 0.00 C ATOM 234 CD LYS A 17 0.674 5.846 -10.150 1.00 0.00 C ATOM 235 CE LYS A 17 -0.695 5.206 -10.326 1.00 0.00 C ATOM 236 NZ LYS A 17 -1.232 5.410 -11.700 1.00 0.00 N ATOM 0 H LYS A 17 0.397 5.317 -5.825 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.578 4.121 -7.991 1.00 0.00 H new ATOM 0 HB2 LYS A 17 2.189 5.017 -7.240 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.994 4.165 -8.758 1.00 0.00 H new ATOM 0 HG2 LYS A 17 0.124 6.439 -8.164 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.781 6.819 -8.592 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.700 6.802 -10.673 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.434 5.212 -10.606 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -0.626 4.138 -10.118 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -1.389 5.628 -9.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.166 4.959 -11.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -1.323 6.429 -11.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -0.583 4.985 -12.393 1.00 0.00 H new ATOM 250 N ARG A 18 1.733 2.080 -6.769 1.00 0.00 N ATOM 251 CA ARG A 18 2.166 0.687 -6.743 1.00 0.00 C ATOM 252 C ARG A 18 1.150 -0.184 -6.012 1.00 0.00 C ATOM 253 O ARG A 18 0.757 -1.242 -6.503 1.00 0.00 O ATOM 254 CB ARG A 18 3.534 0.570 -6.069 1.00 0.00 C ATOM 255 CG ARG A 18 4.137 -0.823 -6.152 1.00 0.00 C ATOM 256 CD ARG A 18 4.737 -1.090 -7.523 1.00 0.00 C ATOM 257 NE ARG A 18 5.235 -2.457 -7.646 1.00 0.00 N ATOM 258 CZ ARG A 18 5.620 -2.999 -8.797 1.00 0.00 C ATOM 259 NH1 ARG A 18 5.562 -2.292 -9.918 1.00 0.00 N ATOM 260 NH2 ARG A 18 6.061 -4.249 -8.828 1.00 0.00 N ATOM 0 H ARG A 18 2.305 2.711 -6.207 1.00 0.00 H new ATOM 0 HA ARG A 18 2.244 0.337 -7.772 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.219 1.281 -6.531 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.439 0.854 -5.021 1.00 0.00 H new ATOM 0 HG2 ARG A 18 4.907 -0.933 -5.389 1.00 0.00 H new ATOM 0 HG3 ARG A 18 3.369 -1.566 -5.939 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.984 -0.908 -8.290 1.00 0.00 H new ATOM 0 HD3 ARG A 18 5.552 -0.390 -7.704 1.00 0.00 H new ATOM 0 HE ARG A 18 5.291 -3.027 -6.802 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.222 -1.331 -9.898 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.858 -2.710 -10.800 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.105 -4.796 -7.968 1.00 0.00 H new ATOM 0 HH22 ARG A 18 6.356 -4.664 -9.712 1.00 0.00 H new ATOM 274 N MET A 19 0.729 0.266 -4.834 1.00 0.00 N ATOM 275 CA MET A 19 -0.241 -0.473 -4.036 1.00 0.00 C ATOM 276 C MET A 19 -1.359 -1.026 -4.913 1.00 0.00 C ATOM 277 O MET A 19 -1.622 -2.228 -4.917 1.00 0.00 O ATOM 278 CB MET A 19 -0.829 0.427 -2.946 1.00 0.00 C ATOM 279 CG MET A 19 -1.847 -0.274 -2.063 1.00 0.00 C ATOM 280 SD MET A 19 -3.069 0.860 -1.377 1.00 0.00 S ATOM 281 CE MET A 19 -4.160 1.072 -2.781 1.00 0.00 C ATOM 0 H MET A 19 1.045 1.139 -4.412 1.00 0.00 H new ATOM 0 HA MET A 19 0.275 -1.310 -3.566 1.00 0.00 H new ATOM 0 HB2 MET A 19 -0.019 0.805 -2.323 1.00 0.00 H new ATOM 0 HB3 MET A 19 -1.300 1.291 -3.415 1.00 0.00 H new ATOM 0 HG2 MET A 19 -2.356 -1.044 -2.643 1.00 0.00 H new ATOM 0 HG3 MET A 19 -1.329 -0.780 -1.248 1.00 0.00 H new ATOM 0 HE1 MET A 19 -4.650 2.043 -2.717 1.00 0.00 H new ATOM 0 HE2 MET A 19 -3.581 1.018 -3.703 1.00 0.00 H new ATOM 0 HE3 MET A 19 -4.913 0.284 -2.779 1.00 0.00 H new ATOM 291 N ARG A 20 -2.014 -0.140 -5.657 1.00 0.00 N ATOM 292 CA ARG A 20 -3.105 -0.539 -6.538 1.00 0.00 C ATOM 293 C ARG A 20 -2.651 -1.627 -7.508 1.00 0.00 C ATOM 294 O ARG A 20 -3.268 -2.687 -7.599 1.00 0.00 O ATOM 295 CB ARG A 20 -3.627 0.668 -7.318 1.00 0.00 C ATOM 296 CG ARG A 20 -4.341 1.692 -6.451 1.00 0.00 C ATOM 297 CD ARG A 20 -5.139 2.676 -7.291 1.00 0.00 C ATOM 298 NE ARG A 20 -6.223 2.020 -8.017 1.00 0.00 N ATOM 299 CZ ARG A 20 -7.042 2.656 -8.849 1.00 0.00 C ATOM 300 NH1 ARG A 20 -6.897 3.958 -9.058 1.00 0.00 N ATOM 301 NH2 ARG A 20 -8.005 1.991 -9.473 1.00 0.00 N ATOM 0 H ARG A 20 -1.808 0.859 -5.667 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.909 -0.939 -5.920 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.791 1.152 -7.823 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.310 0.321 -8.093 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.008 1.180 -5.757 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -3.611 2.234 -5.850 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.552 3.452 -6.646 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.475 3.170 -8.000 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.359 1.019 -7.878 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.157 4.472 -8.580 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.526 4.445 -9.697 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.118 0.990 -9.315 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.632 2.481 -10.111 1.00 0.00 H new ATOM 315 N GLU A 21 -1.567 -1.354 -8.228 1.00 0.00 N ATOM 316 CA GLU A 21 -1.032 -2.310 -9.192 1.00 0.00 C ATOM 317 C GLU A 21 -0.907 -3.697 -8.570 1.00 0.00 C ATOM 318 O GLU A 21 -1.552 -4.648 -9.014 1.00 0.00 O ATOM 319 CB GLU A 21 0.334 -1.842 -9.702 1.00 0.00 C ATOM 320 CG GLU A 21 0.247 -0.868 -10.865 1.00 0.00 C ATOM 321 CD GLU A 21 0.140 -1.568 -12.206 1.00 0.00 C ATOM 322 OE1 GLU A 21 0.548 -2.745 -12.296 1.00 0.00 O ATOM 323 OE2 GLU A 21 -0.353 -0.939 -13.165 1.00 0.00 O ATOM 0 H GLU A 21 -1.043 -0.481 -8.163 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.725 -2.369 -10.031 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.876 -1.370 -8.883 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.915 -2.711 -10.009 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.619 -0.220 -10.727 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.128 -0.227 -10.864 1.00 0.00 H new ATOM 330 N ILE A 22 -0.072 -3.805 -7.542 1.00 0.00 N ATOM 331 CA ILE A 22 0.137 -5.076 -6.859 1.00 0.00 C ATOM 332 C ILE A 22 -1.157 -5.878 -6.782 1.00 0.00 C ATOM 333 O ILE A 22 -1.177 -7.076 -7.069 1.00 0.00 O ATOM 334 CB ILE A 22 0.683 -4.866 -5.434 1.00 0.00 C ATOM 335 CG1 ILE A 22 2.078 -4.240 -5.486 1.00 0.00 C ATOM 336 CG2 ILE A 22 0.717 -6.187 -4.680 1.00 0.00 C ATOM 337 CD1 ILE A 22 2.524 -3.649 -4.167 1.00 0.00 C ATOM 0 H ILE A 22 0.470 -3.028 -7.164 1.00 0.00 H new ATOM 0 HA ILE A 22 0.871 -5.631 -7.443 1.00 0.00 H new ATOM 0 HB ILE A 22 0.019 -4.184 -4.903 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.797 -4.999 -5.797 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.089 -3.460 -6.247 1.00 0.00 H new ATOM 0 HG21 ILE A 22 1.105 -6.022 -3.675 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.291 -6.596 -4.617 1.00 0.00 H new ATOM 0 HG23 ILE A 22 1.362 -6.890 -5.207 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.521 -3.223 -4.278 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.827 -2.867 -3.864 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.545 -4.430 -3.407 1.00 0.00 H new ATOM 349 N LYS A 23 -2.239 -5.211 -6.395 1.00 0.00 N ATOM 350 CA LYS A 23 -3.540 -5.860 -6.284 1.00 0.00 C ATOM 351 C LYS A 23 -3.931 -6.524 -7.599 1.00 0.00 C ATOM 352 O LYS A 23 -3.991 -7.749 -7.692 1.00 0.00 O ATOM 353 CB LYS A 23 -4.608 -4.841 -5.877 1.00 0.00 C ATOM 354 CG LYS A 23 -5.888 -5.475 -5.363 1.00 0.00 C ATOM 355 CD LYS A 23 -6.713 -4.489 -4.552 1.00 0.00 C ATOM 356 CE LYS A 23 -7.458 -3.516 -5.452 1.00 0.00 C ATOM 357 NZ LYS A 23 -8.610 -4.165 -6.137 1.00 0.00 N ATOM 0 H LYS A 23 -2.241 -4.220 -6.153 1.00 0.00 H new ATOM 0 HA LYS A 23 -3.470 -6.630 -5.516 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.200 -4.188 -5.105 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.843 -4.211 -6.735 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.478 -5.839 -6.204 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.644 -6.340 -4.747 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.426 -5.032 -3.932 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.061 -3.936 -3.877 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -7.815 -2.674 -4.859 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.772 -3.113 -6.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -9.442 -3.543 -6.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -8.370 -4.334 -7.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -8.824 -5.071 -5.674 1.00 0.00 H new ATOM 371 N ASN A 24 -4.196 -5.708 -8.614 1.00 0.00 N ATOM 372 CA ASN A 24 -4.580 -6.218 -9.925 1.00 0.00 C ATOM 373 C ASN A 24 -3.751 -7.443 -10.297 1.00 0.00 C ATOM 374 O ASN A 24 -4.281 -8.434 -10.798 1.00 0.00 O ATOM 375 CB ASN A 24 -4.410 -5.130 -10.988 1.00 0.00 C ATOM 376 CG ASN A 24 -4.674 -5.645 -12.390 1.00 0.00 C ATOM 377 OD1 ASN A 24 -3.758 -6.091 -13.082 1.00 0.00 O ATOM 378 ND2 ASN A 24 -5.930 -5.586 -12.815 1.00 0.00 N ATOM 0 H ASN A 24 -4.152 -4.691 -8.554 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.629 -6.512 -9.880 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -5.090 -4.306 -10.773 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.398 -4.730 -10.936 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -6.168 -5.918 -13.749 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -6.657 -5.208 -12.207 1.00 0.00 H new ATOM 385 N GLU A 25 -2.447 -7.366 -10.048 1.00 0.00 N ATOM 386 CA GLU A 25 -1.545 -8.468 -10.358 1.00 0.00 C ATOM 387 C GLU A 25 -1.974 -9.742 -9.634 1.00 0.00 C ATOM 388 O GLU A 25 -1.931 -10.836 -10.200 1.00 0.00 O ATOM 389 CB GLU A 25 -0.110 -8.108 -9.969 1.00 0.00 C ATOM 390 CG GLU A 25 0.919 -9.131 -10.420 1.00 0.00 C ATOM 391 CD GLU A 25 0.908 -9.347 -11.921 1.00 0.00 C ATOM 392 OE1 GLU A 25 1.589 -8.581 -12.635 1.00 0.00 O ATOM 393 OE2 GLU A 25 0.218 -10.280 -12.381 1.00 0.00 O ATOM 0 H GLU A 25 -1.993 -6.553 -9.633 1.00 0.00 H new ATOM 0 HA GLU A 25 -1.589 -8.647 -11.432 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.142 -7.139 -10.399 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.052 -8.001 -8.886 1.00 0.00 H new ATOM 0 HG2 GLU A 25 1.912 -8.803 -10.111 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.727 -10.080 -9.919 1.00 0.00 H new ATOM 400 N LEU A 26 -2.389 -9.593 -8.381 1.00 0.00 N ATOM 401 CA LEU A 26 -2.825 -10.730 -7.578 1.00 0.00 C ATOM 402 C LEU A 26 -4.222 -11.183 -7.992 1.00 0.00 C ATOM 403 O LEU A 26 -4.521 -12.378 -8.002 1.00 0.00 O ATOM 404 CB LEU A 26 -2.813 -10.365 -6.093 1.00 0.00 C ATOM 405 CG LEU A 26 -3.698 -11.221 -5.185 1.00 0.00 C ATOM 406 CD1 LEU A 26 -3.188 -12.654 -5.140 1.00 0.00 C ATOM 407 CD2 LEU A 26 -3.754 -10.629 -3.784 1.00 0.00 C ATOM 0 H LEU A 26 -2.433 -8.695 -7.899 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.131 -11.553 -7.748 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.787 -10.429 -5.732 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.122 -9.325 -5.992 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.708 -11.229 -5.596 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.830 -13.248 -4.489 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.200 -13.076 -6.145 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.169 -12.666 -4.753 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.388 -11.251 -3.151 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.749 -10.591 -3.365 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.166 -9.621 -3.831 1.00 0.00 H new ATOM 419 N LEU A 27 -5.073 -10.222 -8.333 1.00 0.00 N ATOM 420 CA LEU A 27 -6.439 -10.521 -8.750 1.00 0.00 C ATOM 421 C LEU A 27 -6.448 -11.373 -10.015 1.00 0.00 C ATOM 422 O LEU A 27 -7.206 -12.337 -10.120 1.00 0.00 O ATOM 423 CB LEU A 27 -7.216 -9.225 -8.989 1.00 0.00 C ATOM 424 CG LEU A 27 -7.615 -8.442 -7.737 1.00 0.00 C ATOM 425 CD1 LEU A 27 -8.077 -7.041 -8.109 1.00 0.00 C ATOM 426 CD2 LEU A 27 -8.705 -9.179 -6.972 1.00 0.00 C ATOM 0 H LEU A 27 -4.842 -9.229 -8.329 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.921 -11.084 -7.951 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.613 -8.575 -9.623 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.121 -9.465 -9.547 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.741 -8.355 -7.092 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -8.357 -6.498 -7.206 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.268 -6.513 -8.613 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -8.938 -7.106 -8.774 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.976 -8.608 -6.084 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.581 -9.297 -7.610 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.339 -10.161 -6.673 1.00 0.00 H new ATOM 438 N GLN A 28 -5.598 -11.012 -10.972 1.00 0.00 N ATOM 439 CA GLN A 28 -5.507 -11.745 -12.229 1.00 0.00 C ATOM 440 C GLN A 28 -4.796 -13.079 -12.031 1.00 0.00 C ATOM 441 O GLN A 28 -5.290 -14.125 -12.452 1.00 0.00 O ATOM 442 CB GLN A 28 -4.770 -10.910 -13.277 1.00 0.00 C ATOM 443 CG GLN A 28 -5.383 -9.538 -13.504 1.00 0.00 C ATOM 444 CD GLN A 28 -6.746 -9.609 -14.163 1.00 0.00 C ATOM 445 OE1 GLN A 28 -7.766 -9.756 -13.491 1.00 0.00 O ATOM 446 NE2 GLN A 28 -6.770 -9.504 -15.487 1.00 0.00 N ATOM 0 H GLN A 28 -4.963 -10.217 -10.900 1.00 0.00 H new ATOM 0 HA GLN A 28 -6.520 -11.944 -12.580 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -3.732 -10.788 -12.968 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.759 -11.455 -14.221 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -5.472 -9.022 -12.548 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.714 -8.944 -14.126 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -5.900 -9.383 -16.005 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -7.659 -9.544 -15.986 1.00 0.00 H new ATOM 455 N ALA A 29 -3.634 -13.035 -11.388 1.00 0.00 N ATOM 456 CA ALA A 29 -2.855 -14.241 -11.134 1.00 0.00 C ATOM 457 C ALA A 29 -3.761 -15.415 -10.780 1.00 0.00 C ATOM 458 O ALA A 29 -4.616 -15.307 -9.901 1.00 0.00 O ATOM 459 CB ALA A 29 -1.849 -13.993 -10.021 1.00 0.00 C ATOM 0 H ALA A 29 -3.211 -12.177 -11.033 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.316 -14.495 -12.046 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -1.274 -14.901 -9.841 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.174 -13.188 -10.313 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.377 -13.711 -9.110 1.00 0.00 H new ATOM 465 N GLN A 30 -3.569 -16.533 -11.471 1.00 0.00 N ATOM 466 CA GLN A 30 -4.372 -17.727 -11.229 1.00 0.00 C ATOM 467 C GLN A 30 -3.967 -18.400 -9.921 1.00 0.00 C ATOM 468 O GLN A 30 -4.786 -18.571 -9.020 1.00 0.00 O ATOM 469 CB GLN A 30 -4.222 -18.712 -12.390 1.00 0.00 C ATOM 470 CG GLN A 30 -5.166 -19.901 -12.305 1.00 0.00 C ATOM 471 CD GLN A 30 -4.644 -20.996 -11.396 1.00 0.00 C ATOM 472 OE1 GLN A 30 -3.440 -21.247 -11.336 1.00 0.00 O ATOM 473 NE2 GLN A 30 -5.549 -21.656 -10.684 1.00 0.00 N ATOM 0 H GLN A 30 -2.866 -16.638 -12.202 1.00 0.00 H new ATOM 0 HA GLN A 30 -5.416 -17.422 -11.152 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -4.398 -18.185 -13.328 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -3.195 -19.075 -12.417 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -6.137 -19.564 -11.941 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -5.323 -20.307 -13.304 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.537 -21.415 -10.765 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -5.257 -22.405 -10.056 1.00 0.00 H new ATOM 482 N ASN A 31 -2.697 -18.780 -9.826 1.00 0.00 N ATOM 483 CA ASN A 31 -2.183 -19.435 -8.629 1.00 0.00 C ATOM 484 C ASN A 31 -1.232 -18.515 -7.871 1.00 0.00 C ATOM 485 O ASN A 31 -0.014 -18.693 -7.882 1.00 0.00 O ATOM 486 CB ASN A 31 -1.466 -20.733 -9.001 1.00 0.00 C ATOM 487 CG ASN A 31 -0.393 -20.521 -10.051 1.00 0.00 C ATOM 488 OD1 ASN A 31 -0.668 -20.018 -11.142 1.00 0.00 O ATOM 489 ND2 ASN A 31 0.837 -20.904 -9.728 1.00 0.00 N ATOM 0 H ASN A 31 -2.005 -18.646 -10.563 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.028 -19.667 -7.981 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -1.015 -21.165 -8.107 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -2.195 -21.454 -9.371 1.00 0.00 H new ATOM 0 HD21 ASN A 31 1.600 -20.786 -10.395 1.00 0.00 H new ATOM 0 HD22 ASN A 31 1.019 -21.316 -8.813 1.00 0.00 H new ATOM 496 N PRO A 32 -1.799 -17.505 -7.194 1.00 0.00 N ATOM 497 CA PRO A 32 -1.020 -16.537 -6.416 1.00 0.00 C ATOM 498 C PRO A 32 -0.404 -17.157 -5.167 1.00 0.00 C ATOM 499 O PRO A 32 0.244 -16.472 -4.377 1.00 0.00 O ATOM 500 CB PRO A 32 -2.055 -15.476 -6.031 1.00 0.00 C ATOM 501 CG PRO A 32 -3.359 -16.195 -6.052 1.00 0.00 C ATOM 502 CD PRO A 32 -3.244 -17.231 -7.135 1.00 0.00 C ATOM 0 HA PRO A 32 -0.176 -16.144 -6.983 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -1.848 -15.060 -5.045 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -2.050 -14.644 -6.735 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.564 -16.660 -5.088 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -4.180 -15.508 -6.255 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -3.814 -18.129 -6.894 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -3.622 -16.860 -8.088 1.00 0.00 H new ATOM 510 N SER A 33 -0.610 -18.459 -4.996 1.00 0.00 N ATOM 511 CA SER A 33 -0.078 -19.171 -3.840 1.00 0.00 C ATOM 512 C SER A 33 1.277 -18.604 -3.428 1.00 0.00 C ATOM 513 O SER A 33 1.568 -18.465 -2.240 1.00 0.00 O ATOM 514 CB SER A 33 0.056 -20.664 -4.152 1.00 0.00 C ATOM 515 OG SER A 33 -1.192 -21.323 -4.031 1.00 0.00 O ATOM 0 H SER A 33 -1.141 -19.042 -5.643 1.00 0.00 H new ATOM 0 HA SER A 33 -0.774 -19.040 -3.012 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.443 -20.794 -5.162 1.00 0.00 H new ATOM 0 HB3 SER A 33 0.778 -21.118 -3.473 1.00 0.00 H new ATOM 0 HG SER A 33 -1.081 -22.275 -4.237 1.00 0.00 H new ATOM 521 N GLU A 34 2.100 -18.276 -4.419 1.00 0.00 N ATOM 522 CA GLU A 34 3.424 -17.723 -4.160 1.00 0.00 C ATOM 523 C GLU A 34 3.358 -16.208 -3.989 1.00 0.00 C ATOM 524 O GLU A 34 4.072 -15.633 -3.167 1.00 0.00 O ATOM 525 CB GLU A 34 4.381 -18.078 -5.300 1.00 0.00 C ATOM 526 CG GLU A 34 4.745 -19.552 -5.354 1.00 0.00 C ATOM 527 CD GLU A 34 5.771 -19.939 -4.306 1.00 0.00 C ATOM 528 OE1 GLU A 34 6.957 -19.592 -4.482 1.00 0.00 O ATOM 529 OE2 GLU A 34 5.387 -20.590 -3.312 1.00 0.00 O ATOM 0 H GLU A 34 1.873 -18.384 -5.408 1.00 0.00 H new ATOM 0 HA GLU A 34 3.797 -18.159 -3.233 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.926 -17.790 -6.248 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.293 -17.491 -5.193 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.845 -20.150 -5.214 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.135 -19.790 -6.344 1.00 0.00 H new ATOM 536 N LEU A 35 2.496 -15.568 -4.772 1.00 0.00 N ATOM 537 CA LEU A 35 2.336 -14.119 -4.709 1.00 0.00 C ATOM 538 C LEU A 35 1.943 -13.676 -3.303 1.00 0.00 C ATOM 539 O LEU A 35 2.466 -12.690 -2.784 1.00 0.00 O ATOM 540 CB LEU A 35 1.280 -13.659 -5.716 1.00 0.00 C ATOM 541 CG LEU A 35 1.779 -13.385 -7.134 1.00 0.00 C ATOM 542 CD1 LEU A 35 0.609 -13.263 -8.098 1.00 0.00 C ATOM 543 CD2 LEU A 35 2.630 -12.123 -7.164 1.00 0.00 C ATOM 0 H LEU A 35 1.898 -16.029 -5.457 1.00 0.00 H new ATOM 0 HA LEU A 35 3.292 -13.660 -4.960 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.500 -14.419 -5.767 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.814 -12.750 -5.334 1.00 0.00 H new ATOM 0 HG LEU A 35 2.397 -14.225 -7.450 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.984 -13.068 -9.103 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.039 -14.192 -8.098 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.036 -12.441 -7.786 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.977 -11.942 -8.181 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.034 -11.274 -6.828 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.489 -12.247 -6.504 1.00 0.00 H new ATOM 555 N TYR A 36 1.020 -14.412 -2.693 1.00 0.00 N ATOM 556 CA TYR A 36 0.557 -14.094 -1.348 1.00 0.00 C ATOM 557 C TYR A 36 1.693 -13.529 -0.500 1.00 0.00 C ATOM 558 O TYR A 36 1.534 -12.507 0.170 1.00 0.00 O ATOM 559 CB TYR A 36 -0.023 -15.341 -0.677 1.00 0.00 C ATOM 560 CG TYR A 36 -1.351 -15.775 -1.255 1.00 0.00 C ATOM 561 CD1 TYR A 36 -2.365 -14.855 -1.489 1.00 0.00 C ATOM 562 CD2 TYR A 36 -1.591 -17.108 -1.568 1.00 0.00 C ATOM 563 CE1 TYR A 36 -3.580 -15.248 -2.016 1.00 0.00 C ATOM 564 CE2 TYR A 36 -2.802 -17.511 -2.097 1.00 0.00 C ATOM 565 CZ TYR A 36 -3.794 -16.577 -2.318 1.00 0.00 C ATOM 566 OH TYR A 36 -5.002 -16.973 -2.844 1.00 0.00 O ATOM 0 H TYR A 36 0.578 -15.232 -3.109 1.00 0.00 H new ATOM 0 HA TYR A 36 -0.223 -13.337 -1.430 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.690 -16.160 -0.772 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -0.146 -15.147 0.388 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -2.201 -13.814 -1.255 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -0.817 -17.841 -1.395 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -4.358 -14.519 -2.191 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -2.971 -18.550 -2.336 1.00 0.00 H new ATOM 0 HH TYR A 36 -4.989 -17.940 -3.001 1.00 0.00 H new ATOM 576 N LEU A 37 2.839 -14.200 -0.535 1.00 0.00 N ATOM 577 CA LEU A 37 4.003 -13.766 0.229 1.00 0.00 C ATOM 578 C LEU A 37 4.541 -12.442 -0.303 1.00 0.00 C ATOM 579 O LEU A 37 4.575 -11.441 0.413 1.00 0.00 O ATOM 580 CB LEU A 37 5.098 -14.833 0.178 1.00 0.00 C ATOM 581 CG LEU A 37 4.913 -16.030 1.111 1.00 0.00 C ATOM 582 CD1 LEU A 37 4.887 -15.576 2.562 1.00 0.00 C ATOM 583 CD2 LEU A 37 3.638 -16.785 0.764 1.00 0.00 C ATOM 0 H LEU A 37 2.987 -15.047 -1.084 1.00 0.00 H new ATOM 0 HA LEU A 37 3.694 -13.621 1.264 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.170 -15.203 -0.845 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.051 -14.359 0.413 1.00 0.00 H new ATOM 0 HG LEU A 37 5.759 -16.705 0.977 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.755 -16.441 3.212 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.827 -15.080 2.805 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.061 -14.881 2.711 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.523 -17.634 1.438 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.781 -16.119 0.869 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.696 -17.143 -0.264 1.00 0.00 H new ATOM 595 N SER A 38 4.959 -12.444 -1.565 1.00 0.00 N ATOM 596 CA SER A 38 5.498 -11.243 -2.193 1.00 0.00 C ATOM 597 C SER A 38 4.506 -10.087 -2.096 1.00 0.00 C ATOM 598 O SER A 38 4.780 -9.073 -1.456 1.00 0.00 O ATOM 599 CB SER A 38 5.835 -11.518 -3.660 1.00 0.00 C ATOM 600 OG SER A 38 7.052 -12.236 -3.778 1.00 0.00 O ATOM 0 H SER A 38 4.935 -13.263 -2.172 1.00 0.00 H new ATOM 0 HA SER A 38 6.409 -10.963 -1.664 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.028 -12.086 -4.121 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.911 -10.575 -4.202 1.00 0.00 H new ATOM 0 HG SER A 38 7.244 -12.401 -4.725 1.00 0.00 H new ATOM 606 N SER A 39 3.353 -10.250 -2.736 1.00 0.00 N ATOM 607 CA SER A 39 2.321 -9.219 -2.725 1.00 0.00 C ATOM 608 C SER A 39 2.247 -8.540 -1.361 1.00 0.00 C ATOM 609 O SER A 39 1.882 -7.368 -1.257 1.00 0.00 O ATOM 610 CB SER A 39 0.961 -9.825 -3.081 1.00 0.00 C ATOM 611 OG SER A 39 0.531 -10.732 -2.081 1.00 0.00 O ATOM 0 H SER A 39 3.110 -11.085 -3.268 1.00 0.00 H new ATOM 0 HA SER A 39 2.583 -8.469 -3.471 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.224 -9.030 -3.197 1.00 0.00 H new ATOM 0 HB3 SER A 39 1.028 -10.340 -4.039 1.00 0.00 H new ATOM 0 HG SER A 39 1.088 -11.538 -2.109 1.00 0.00 H new ATOM 617 N LYS A 40 2.594 -9.284 -0.316 1.00 0.00 N ATOM 618 CA LYS A 40 2.568 -8.756 1.042 1.00 0.00 C ATOM 619 C LYS A 40 3.877 -8.046 1.374 1.00 0.00 C ATOM 620 O LYS A 40 3.916 -6.822 1.502 1.00 0.00 O ATOM 621 CB LYS A 40 2.319 -9.884 2.045 1.00 0.00 C ATOM 622 CG LYS A 40 1.737 -9.407 3.364 1.00 0.00 C ATOM 623 CD LYS A 40 1.125 -10.555 4.151 1.00 0.00 C ATOM 624 CE LYS A 40 2.161 -11.246 5.025 1.00 0.00 C ATOM 625 NZ LYS A 40 1.526 -12.071 6.091 1.00 0.00 N ATOM 0 H LYS A 40 2.897 -10.256 -0.384 1.00 0.00 H new ATOM 0 HA LYS A 40 1.755 -8.033 1.109 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.640 -10.611 1.600 1.00 0.00 H new ATOM 0 HB3 LYS A 40 3.259 -10.401 2.238 1.00 0.00 H new ATOM 0 HG2 LYS A 40 2.519 -8.934 3.958 1.00 0.00 H new ATOM 0 HG3 LYS A 40 0.977 -8.649 3.175 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.314 -10.179 4.775 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.688 -11.278 3.462 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.795 -11.880 4.405 1.00 0.00 H new ATOM 0 HE3 LYS A 40 2.808 -10.497 5.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.265 -12.525 6.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.941 -11.463 6.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.928 -12.802 5.655 1.00 0.00 H new ATOM 639 N THR A 41 4.948 -8.821 1.512 1.00 0.00 N ATOM 640 CA THR A 41 6.257 -8.267 1.829 1.00 0.00 C ATOM 641 C THR A 41 6.468 -6.925 1.137 1.00 0.00 C ATOM 642 O THR A 41 6.948 -5.971 1.748 1.00 0.00 O ATOM 643 CB THR A 41 7.389 -9.227 1.418 1.00 0.00 C ATOM 644 OG1 THR A 41 8.554 -8.981 2.213 1.00 0.00 O ATOM 645 CG2 THR A 41 7.730 -9.062 -0.056 1.00 0.00 C ATOM 0 H THR A 41 4.934 -9.836 1.409 1.00 0.00 H new ATOM 0 HA THR A 41 6.286 -8.125 2.909 1.00 0.00 H new ATOM 0 HB THR A 41 7.047 -10.249 1.583 1.00 0.00 H new ATOM 0 HG1 THR A 41 9.268 -9.597 1.946 1.00 0.00 H new ATOM 0 HG21 THR A 41 8.532 -9.750 -0.323 1.00 0.00 H new ATOM 0 HG22 THR A 41 6.849 -9.280 -0.660 1.00 0.00 H new ATOM 0 HG23 THR A 41 8.054 -8.038 -0.242 1.00 0.00 H new ATOM 653 N GLU A 42 6.106 -6.860 -0.141 1.00 0.00 N ATOM 654 CA GLU A 42 6.257 -5.633 -0.914 1.00 0.00 C ATOM 655 C GLU A 42 5.377 -4.521 -0.349 1.00 0.00 C ATOM 656 O GLU A 42 5.859 -3.433 -0.032 1.00 0.00 O ATOM 657 CB GLU A 42 5.901 -5.883 -2.382 1.00 0.00 C ATOM 658 CG GLU A 42 6.438 -4.822 -3.327 1.00 0.00 C ATOM 659 CD GLU A 42 7.951 -4.831 -3.416 1.00 0.00 C ATOM 660 OE1 GLU A 42 8.491 -5.578 -4.258 1.00 0.00 O ATOM 661 OE2 GLU A 42 8.596 -4.092 -2.643 1.00 0.00 O ATOM 0 H GLU A 42 5.707 -7.641 -0.662 1.00 0.00 H new ATOM 0 HA GLU A 42 7.298 -5.318 -0.847 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.292 -6.856 -2.681 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.817 -5.931 -2.481 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.019 -4.980 -4.321 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.103 -3.840 -2.992 1.00 0.00 H new ATOM 668 N LEU A 43 4.084 -4.802 -0.225 1.00 0.00 N ATOM 669 CA LEU A 43 3.136 -3.827 0.302 1.00 0.00 C ATOM 670 C LEU A 43 3.736 -3.068 1.480 1.00 0.00 C ATOM 671 O LEU A 43 3.755 -1.837 1.492 1.00 0.00 O ATOM 672 CB LEU A 43 1.845 -4.524 0.733 1.00 0.00 C ATOM 673 CG LEU A 43 0.821 -4.785 -0.374 1.00 0.00 C ATOM 674 CD1 LEU A 43 -0.199 -5.819 0.076 1.00 0.00 C ATOM 675 CD2 LEU A 43 0.130 -3.491 -0.777 1.00 0.00 C ATOM 0 H LEU A 43 3.669 -5.697 -0.482 1.00 0.00 H new ATOM 0 HA LEU A 43 2.909 -3.112 -0.489 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.106 -5.478 1.191 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.369 -3.919 1.505 1.00 0.00 H new ATOM 0 HG LEU A 43 1.347 -5.178 -1.244 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.919 -5.992 -0.724 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.310 -6.753 0.314 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.720 -5.454 0.961 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.595 -3.696 -1.565 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.383 -3.068 0.087 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.872 -2.781 -1.142 1.00 0.00 H new ATOM 687 N GLN A 44 4.224 -3.809 2.469 1.00 0.00 N ATOM 688 CA GLN A 44 4.826 -3.204 3.652 1.00 0.00 C ATOM 689 C GLN A 44 5.814 -2.111 3.262 1.00 0.00 C ATOM 690 O GLN A 44 5.727 -0.981 3.741 1.00 0.00 O ATOM 691 CB GLN A 44 5.531 -4.269 4.493 1.00 0.00 C ATOM 692 CG GLN A 44 4.586 -5.302 5.086 1.00 0.00 C ATOM 693 CD GLN A 44 5.292 -6.282 6.001 1.00 0.00 C ATOM 694 OE1 GLN A 44 6.470 -6.584 5.815 1.00 0.00 O ATOM 695 NE2 GLN A 44 4.573 -6.785 6.998 1.00 0.00 N ATOM 0 H GLN A 44 4.215 -4.829 2.475 1.00 0.00 H new ATOM 0 HA GLN A 44 4.029 -2.753 4.243 1.00 0.00 H new ATOM 0 HB2 GLN A 44 6.270 -4.778 3.874 1.00 0.00 H new ATOM 0 HB3 GLN A 44 6.075 -3.780 5.301 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.800 -4.792 5.643 1.00 0.00 H new ATOM 0 HG3 GLN A 44 4.100 -5.850 4.279 1.00 0.00 H new ATOM 0 HE21 GLN A 44 3.599 -6.507 7.115 1.00 0.00 H new ATOM 0 HE22 GLN A 44 4.995 -7.450 7.647 1.00 0.00 H new ATOM 704 N GLY A 45 6.754 -2.454 2.387 1.00 0.00 N ATOM 705 CA GLY A 45 7.746 -1.491 1.947 1.00 0.00 C ATOM 706 C GLY A 45 7.140 -0.139 1.626 1.00 0.00 C ATOM 707 O GLY A 45 7.473 0.864 2.256 1.00 0.00 O ATOM 0 H GLY A 45 6.846 -3.382 1.975 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.501 -1.372 2.724 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.255 -1.876 1.064 1.00 0.00 H new ATOM 711 N LEU A 46 6.248 -0.112 0.643 1.00 0.00 N ATOM 712 CA LEU A 46 5.593 1.128 0.237 1.00 0.00 C ATOM 713 C LEU A 46 5.296 2.007 1.447 1.00 0.00 C ATOM 714 O LEU A 46 5.812 3.120 1.559 1.00 0.00 O ATOM 715 CB LEU A 46 4.298 0.821 -0.515 1.00 0.00 C ATOM 716 CG LEU A 46 4.446 0.016 -1.808 1.00 0.00 C ATOM 717 CD1 LEU A 46 3.083 -0.413 -2.328 1.00 0.00 C ATOM 718 CD2 LEU A 46 5.189 0.829 -2.858 1.00 0.00 C ATOM 0 H LEU A 46 5.961 -0.934 0.112 1.00 0.00 H new ATOM 0 HA LEU A 46 6.270 1.669 -0.425 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.633 0.275 0.155 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.807 1.765 -0.752 1.00 0.00 H new ATOM 0 HG LEU A 46 5.027 -0.880 -1.593 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.208 -0.984 -3.248 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.587 -1.032 -1.581 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.476 0.470 -2.529 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.286 0.242 -3.771 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.634 1.743 -3.071 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.180 1.086 -2.485 1.00 0.00 H new ATOM 730 N ILE A 47 4.464 1.500 2.350 1.00 0.00 N ATOM 731 CA ILE A 47 4.103 2.239 3.554 1.00 0.00 C ATOM 732 C ILE A 47 5.274 3.072 4.061 1.00 0.00 C ATOM 733 O ILE A 47 5.130 4.262 4.336 1.00 0.00 O ATOM 734 CB ILE A 47 3.635 1.293 4.675 1.00 0.00 C ATOM 735 CG1 ILE A 47 2.378 0.536 4.243 1.00 0.00 C ATOM 736 CG2 ILE A 47 3.375 2.076 5.954 1.00 0.00 C ATOM 737 CD1 ILE A 47 1.921 -0.500 5.248 1.00 0.00 C ATOM 0 H ILE A 47 4.027 0.582 2.271 1.00 0.00 H new ATOM 0 HA ILE A 47 3.281 2.902 3.283 1.00 0.00 H new ATOM 0 HB ILE A 47 4.424 0.567 4.870 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.572 1.251 4.078 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.569 0.045 3.289 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.045 1.394 6.737 1.00 0.00 H new ATOM 0 HG22 ILE A 47 4.292 2.573 6.269 1.00 0.00 H new ATOM 0 HG23 ILE A 47 2.601 2.822 5.773 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.025 -0.997 4.876 1.00 0.00 H new ATOM 0 HD12 ILE A 47 2.711 -1.237 5.396 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.698 -0.013 6.197 1.00 0.00 H new ATOM 749 N GLY A 48 6.436 2.438 4.181 1.00 0.00 N ATOM 750 CA GLY A 48 7.617 3.136 4.654 1.00 0.00 C ATOM 751 C GLY A 48 7.666 4.577 4.185 1.00 0.00 C ATOM 752 O GLY A 48 7.710 5.498 4.998 1.00 0.00 O ATOM 0 H GLY A 48 6.581 1.453 3.959 1.00 0.00 H new ATOM 0 HA2 GLY A 48 7.638 3.111 5.744 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.508 2.613 4.306 1.00 0.00 H new ATOM 756 N GLN A 49 7.659 4.770 2.870 1.00 0.00 N ATOM 757 CA GLN A 49 7.705 6.109 2.295 1.00 0.00 C ATOM 758 C GLN A 49 6.813 7.068 3.077 1.00 0.00 C ATOM 759 O GLN A 49 7.263 8.121 3.531 1.00 0.00 O ATOM 760 CB GLN A 49 7.273 6.073 0.828 1.00 0.00 C ATOM 761 CG GLN A 49 8.124 5.156 -0.035 1.00 0.00 C ATOM 762 CD GLN A 49 7.785 5.261 -1.509 1.00 0.00 C ATOM 763 OE1 GLN A 49 6.835 5.943 -1.892 1.00 0.00 O ATOM 764 NE2 GLN A 49 8.564 4.584 -2.344 1.00 0.00 N ATOM 0 H GLN A 49 7.622 4.017 2.183 1.00 0.00 H new ATOM 0 HA GLN A 49 8.733 6.467 2.354 1.00 0.00 H new ATOM 0 HB2 GLN A 49 6.234 5.749 0.772 1.00 0.00 H new ATOM 0 HB3 GLN A 49 7.315 7.083 0.421 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.176 5.400 0.110 1.00 0.00 H new ATOM 0 HG3 GLN A 49 7.988 4.125 0.293 1.00 0.00 H new ATOM 0 HE21 GLN A 49 9.341 4.031 -1.982 1.00 0.00 H new ATOM 0 HE22 GLN A 49 8.386 4.617 -3.348 1.00 0.00 H new ATOM 773 N LEU A 50 5.547 6.698 3.230 1.00 0.00 N ATOM 774 CA LEU A 50 4.590 7.525 3.957 1.00 0.00 C ATOM 775 C LEU A 50 5.222 8.107 5.218 1.00 0.00 C ATOM 776 O LEU A 50 5.224 9.321 5.420 1.00 0.00 O ATOM 777 CB LEU A 50 3.352 6.706 4.324 1.00 0.00 C ATOM 778 CG LEU A 50 2.512 6.197 3.152 1.00 0.00 C ATOM 779 CD1 LEU A 50 1.503 5.164 3.629 1.00 0.00 C ATOM 780 CD2 LEU A 50 1.808 7.353 2.458 1.00 0.00 C ATOM 0 H LEU A 50 5.159 5.830 2.860 1.00 0.00 H new ATOM 0 HA LEU A 50 4.292 8.349 3.308 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.671 5.848 4.916 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.714 7.316 4.964 1.00 0.00 H new ATOM 0 HG LEU A 50 3.177 5.720 2.432 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.914 4.813 2.782 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.029 4.322 4.079 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.842 5.616 4.368 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.215 6.972 1.627 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.154 7.860 3.168 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.550 8.057 2.081 1.00 0.00 H new ATOM 792 N ASP A 51 5.758 7.233 6.062 1.00 0.00 N ATOM 793 CA ASP A 51 6.395 7.660 7.303 1.00 0.00 C ATOM 794 C ASP A 51 7.220 8.924 7.083 1.00 0.00 C ATOM 795 O ASP A 51 7.025 9.929 7.763 1.00 0.00 O ATOM 796 CB ASP A 51 7.287 6.545 7.853 1.00 0.00 C ATOM 797 CG ASP A 51 7.941 6.922 9.167 1.00 0.00 C ATOM 798 OD1 ASP A 51 8.138 8.131 9.407 1.00 0.00 O ATOM 799 OD2 ASP A 51 8.256 6.007 9.956 1.00 0.00 O ATOM 0 H ASP A 51 5.764 6.224 5.910 1.00 0.00 H new ATOM 0 HA ASP A 51 5.611 7.880 8.028 1.00 0.00 H new ATOM 0 HB2 ASP A 51 6.691 5.643 7.993 1.00 0.00 H new ATOM 0 HB3 ASP A 51 8.059 6.307 7.121 1.00 0.00 H new ATOM 804 N GLU A 52 8.143 8.863 6.128 1.00 0.00 N ATOM 805 CA GLU A 52 8.998 10.004 5.820 1.00 0.00 C ATOM 806 C GLU A 52 8.174 11.281 5.680 1.00 0.00 C ATOM 807 O GLU A 52 8.430 12.276 6.360 1.00 0.00 O ATOM 808 CB GLU A 52 9.784 9.748 4.532 1.00 0.00 C ATOM 809 CG GLU A 52 10.728 8.562 4.621 1.00 0.00 C ATOM 810 CD GLU A 52 11.855 8.786 5.611 1.00 0.00 C ATOM 811 OE1 GLU A 52 11.603 8.686 6.830 1.00 0.00 O ATOM 812 OE2 GLU A 52 12.989 9.061 5.166 1.00 0.00 O ATOM 0 H GLU A 52 8.318 8.037 5.555 1.00 0.00 H new ATOM 0 HA GLU A 52 9.698 10.133 6.645 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.082 9.582 3.715 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.358 10.641 4.283 1.00 0.00 H new ATOM 0 HG2 GLU A 52 10.165 7.675 4.912 1.00 0.00 H new ATOM 0 HG3 GLU A 52 11.149 8.363 3.636 1.00 0.00 H new ATOM 819 N VAL A 53 7.182 11.245 4.795 1.00 0.00 N ATOM 820 CA VAL A 53 6.320 12.398 4.566 1.00 0.00 C ATOM 821 C VAL A 53 5.841 12.996 5.884 1.00 0.00 C ATOM 822 O VAL A 53 5.384 12.278 6.774 1.00 0.00 O ATOM 823 CB VAL A 53 5.095 12.020 3.711 1.00 0.00 C ATOM 824 CG1 VAL A 53 4.070 13.144 3.722 1.00 0.00 C ATOM 825 CG2 VAL A 53 5.521 11.689 2.289 1.00 0.00 C ATOM 0 H VAL A 53 6.956 10.430 4.225 1.00 0.00 H new ATOM 0 HA VAL A 53 6.915 13.138 4.030 1.00 0.00 H new ATOM 0 HB VAL A 53 4.631 11.133 4.142 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.212 12.860 3.113 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.744 13.329 4.745 1.00 0.00 H new ATOM 0 HG13 VAL A 53 4.519 14.050 3.315 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.644 11.424 1.699 1.00 0.00 H new ATOM 0 HG22 VAL A 53 6.009 12.556 1.844 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.216 10.849 2.303 1.00 0.00 H new ATOM 941 N ILE A 61 -2.416 17.101 2.422 1.00 0.00 N ATOM 942 CA ILE A 61 -1.159 16.414 2.690 1.00 0.00 C ATOM 943 C ILE A 61 -1.316 15.403 3.821 1.00 0.00 C ATOM 944 O ILE A 61 -0.814 14.282 3.739 1.00 0.00 O ATOM 945 CB ILE A 61 -0.041 17.407 3.056 1.00 0.00 C ATOM 946 CG1 ILE A 61 0.020 18.542 2.030 1.00 0.00 C ATOM 947 CG2 ILE A 61 1.299 16.690 3.141 1.00 0.00 C ATOM 948 CD1 ILE A 61 0.785 18.181 0.775 1.00 0.00 C ATOM 0 HA ILE A 61 -0.883 15.892 1.774 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.263 17.837 4.033 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.995 18.829 1.757 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.485 19.413 2.491 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.079 17.406 3.401 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.249 15.915 3.906 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.530 16.235 2.178 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.788 19.031 0.093 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.811 17.922 1.036 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.308 17.329 0.291 1.00 0.00 H new ATOM 960 N ARG A 62 -2.016 15.808 4.876 1.00 0.00 N ATOM 961 CA ARG A 62 -2.239 14.938 6.024 1.00 0.00 C ATOM 962 C ARG A 62 -3.105 13.741 5.639 1.00 0.00 C ATOM 963 O ARG A 62 -2.636 12.604 5.620 1.00 0.00 O ATOM 964 CB ARG A 62 -2.904 15.717 7.160 1.00 0.00 C ATOM 965 CG ARG A 62 -3.283 14.853 8.351 1.00 0.00 C ATOM 966 CD ARG A 62 -3.868 15.686 9.481 1.00 0.00 C ATOM 967 NE ARG A 62 -5.254 16.064 9.221 1.00 0.00 N ATOM 968 CZ ARG A 62 -6.025 16.684 10.108 1.00 0.00 C ATOM 969 NH1 ARG A 62 -5.548 16.993 11.305 1.00 0.00 N ATOM 970 NH2 ARG A 62 -7.277 16.995 9.797 1.00 0.00 N ATOM 0 H ARG A 62 -2.438 16.733 4.959 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.270 14.570 6.363 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -2.228 16.504 7.494 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -3.800 16.207 6.778 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.007 14.100 8.040 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -2.403 14.319 8.709 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -3.815 15.122 10.412 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -3.267 16.585 9.618 1.00 0.00 H new ATOM 0 HE ARG A 62 -5.652 15.840 8.309 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -4.586 16.755 11.548 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -6.142 17.469 11.984 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -7.648 16.758 8.877 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -7.869 17.471 10.478 1.00 0.00 H new ATOM 984 N GLU A 63 -4.372 14.008 5.333 1.00 0.00 N ATOM 985 CA GLU A 63 -5.302 12.954 4.951 1.00 0.00 C ATOM 986 C GLU A 63 -4.651 11.981 3.971 1.00 0.00 C ATOM 987 O GLU A 63 -4.675 10.768 4.175 1.00 0.00 O ATOM 988 CB GLU A 63 -6.562 13.556 4.326 1.00 0.00 C ATOM 989 CG GLU A 63 -7.763 12.626 4.359 1.00 0.00 C ATOM 990 CD GLU A 63 -7.452 11.250 3.807 1.00 0.00 C ATOM 991 OE1 GLU A 63 -6.980 11.166 2.653 1.00 0.00 O ATOM 992 OE2 GLU A 63 -7.678 10.255 4.528 1.00 0.00 O ATOM 0 H GLU A 63 -4.776 14.945 5.343 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.578 12.406 5.852 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.813 14.478 4.851 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.351 13.826 3.291 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.115 12.530 5.386 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.576 13.069 3.784 1.00 0.00 H new ATOM 999 N ALA A 64 -4.070 12.524 2.907 1.00 0.00 N ATOM 1000 CA ALA A 64 -3.411 11.707 1.896 1.00 0.00 C ATOM 1001 C ALA A 64 -2.572 10.608 2.540 1.00 0.00 C ATOM 1002 O ALA A 64 -2.722 9.429 2.217 1.00 0.00 O ATOM 1003 CB ALA A 64 -2.545 12.576 0.997 1.00 0.00 C ATOM 0 H ALA A 64 -4.042 13.527 2.723 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.182 11.232 1.290 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.059 11.952 0.247 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.168 13.321 0.502 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.787 13.078 1.598 1.00 0.00 H new ATOM 1009 N ARG A 65 -1.690 11.001 3.452 1.00 0.00 N ATOM 1010 CA ARG A 65 -0.826 10.049 4.140 1.00 0.00 C ATOM 1011 C ARG A 65 -1.650 9.072 4.975 1.00 0.00 C ATOM 1012 O ARG A 65 -1.417 7.864 4.942 1.00 0.00 O ATOM 1013 CB ARG A 65 0.171 10.787 5.036 1.00 0.00 C ATOM 1014 CG ARG A 65 1.254 9.890 5.611 1.00 0.00 C ATOM 1015 CD ARG A 65 2.288 10.691 6.387 1.00 0.00 C ATOM 1016 NE ARG A 65 2.946 9.886 7.413 1.00 0.00 N ATOM 1017 CZ ARG A 65 2.317 9.386 8.470 1.00 0.00 C ATOM 1018 NH1 ARG A 65 1.021 9.606 8.639 1.00 0.00 N ATOM 1019 NH2 ARG A 65 2.986 8.664 9.361 1.00 0.00 N ATOM 0 H ARG A 65 -1.554 11.972 3.732 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.278 9.484 3.386 1.00 0.00 H new ATOM 0 HB2 ARG A 65 0.640 11.586 4.462 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -0.371 11.259 5.856 1.00 0.00 H new ATOM 0 HG2 ARG A 65 0.801 9.146 6.267 1.00 0.00 H new ATOM 0 HG3 ARG A 65 1.744 9.347 4.803 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.036 11.082 5.697 1.00 0.00 H new ATOM 0 HD3 ARG A 65 1.806 11.550 6.854 1.00 0.00 H new ATOM 0 HE ARG A 65 3.943 9.698 7.312 1.00 0.00 H new ATOM 0 HH11 ARG A 65 0.505 10.160 7.956 1.00 0.00 H new ATOM 0 HH12 ARG A 65 0.540 9.221 9.452 1.00 0.00 H new ATOM 0 HH21 ARG A 65 3.984 8.493 9.234 1.00 0.00 H new ATOM 0 HH22 ARG A 65 2.502 8.280 10.173 1.00 0.00 H new ATOM 1033 N ARG A 66 -2.612 9.605 5.720 1.00 0.00 N ATOM 1034 CA ARG A 66 -3.469 8.780 6.564 1.00 0.00 C ATOM 1035 C ARG A 66 -4.170 7.704 5.740 1.00 0.00 C ATOM 1036 O ARG A 66 -3.942 6.511 5.935 1.00 0.00 O ATOM 1037 CB ARG A 66 -4.507 9.649 7.277 1.00 0.00 C ATOM 1038 CG ARG A 66 -5.053 9.023 8.551 1.00 0.00 C ATOM 1039 CD ARG A 66 -4.153 9.310 9.743 1.00 0.00 C ATOM 1040 NE ARG A 66 -4.370 10.649 10.282 1.00 0.00 N ATOM 1041 CZ ARG A 66 -5.363 10.955 11.110 1.00 0.00 C ATOM 1042 NH1 ARG A 66 -6.225 10.023 11.490 1.00 0.00 N ATOM 1043 NH2 ARG A 66 -5.495 12.197 11.559 1.00 0.00 N ATOM 0 H ARG A 66 -2.818 10.603 5.757 1.00 0.00 H new ATOM 0 HA ARG A 66 -2.841 8.291 7.309 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -4.058 10.612 7.519 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -5.334 9.845 6.595 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.053 9.409 8.748 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.148 7.946 8.416 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -4.337 8.571 10.523 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -3.110 9.204 9.444 1.00 0.00 H new ATOM 0 HE ARG A 66 -3.724 11.390 10.008 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.127 9.067 11.147 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -6.986 10.261 12.126 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -4.834 12.917 11.268 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -6.258 12.431 12.195 1.00 0.00 H new ATOM 1057 N ARG A 67 -5.026 8.136 4.819 1.00 0.00 N ATOM 1058 CA ARG A 67 -5.763 7.210 3.966 1.00 0.00 C ATOM 1059 C ARG A 67 -4.866 6.063 3.507 1.00 0.00 C ATOM 1060 O ARG A 67 -5.135 4.898 3.796 1.00 0.00 O ATOM 1061 CB ARG A 67 -6.331 7.945 2.751 1.00 0.00 C ATOM 1062 CG ARG A 67 -7.568 7.285 2.165 1.00 0.00 C ATOM 1063 CD ARG A 67 -7.814 7.735 0.733 1.00 0.00 C ATOM 1064 NE ARG A 67 -6.960 7.028 -0.217 1.00 0.00 N ATOM 1065 CZ ARG A 67 -7.080 7.135 -1.535 1.00 0.00 C ATOM 1066 NH1 ARG A 67 -8.015 7.916 -2.057 1.00 0.00 N ATOM 1067 NH2 ARG A 67 -6.264 6.460 -2.335 1.00 0.00 N ATOM 0 H ARG A 67 -5.226 9.121 4.644 1.00 0.00 H new ATOM 0 HA ARG A 67 -6.586 6.795 4.548 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -6.576 8.968 3.037 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -5.562 8.005 1.981 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -7.451 6.202 2.192 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -8.436 7.527 2.778 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -8.860 7.567 0.475 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -7.634 8.807 0.654 1.00 0.00 H new ATOM 0 HE ARG A 67 -6.231 6.418 0.152 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -8.644 8.436 -1.446 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -8.105 7.997 -3.070 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -5.543 5.858 -1.938 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -6.358 6.544 -3.347 1.00 0.00 H new ATOM 1081 N ALA A 68 -3.800 6.403 2.790 1.00 0.00 N ATOM 1082 CA ALA A 68 -2.864 5.404 2.292 1.00 0.00 C ATOM 1083 C ALA A 68 -2.644 4.298 3.319 1.00 0.00 C ATOM 1084 O ALA A 68 -2.903 3.125 3.048 1.00 0.00 O ATOM 1085 CB ALA A 68 -1.539 6.057 1.925 1.00 0.00 C ATOM 0 H ALA A 68 -3.563 7.363 2.541 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.294 4.954 1.397 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.850 5.298 1.555 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.705 6.806 1.151 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.112 6.535 2.807 1.00 0.00 H new ATOM 1091 N VAL A 69 -2.164 4.679 4.498 1.00 0.00 N ATOM 1092 CA VAL A 69 -1.910 3.720 5.567 1.00 0.00 C ATOM 1093 C VAL A 69 -2.971 2.625 5.586 1.00 0.00 C ATOM 1094 O VAL A 69 -2.652 1.437 5.556 1.00 0.00 O ATOM 1095 CB VAL A 69 -1.873 4.409 6.943 1.00 0.00 C ATOM 1096 CG1 VAL A 69 -1.753 3.377 8.054 1.00 0.00 C ATOM 1097 CG2 VAL A 69 -0.729 5.410 7.007 1.00 0.00 C ATOM 0 H VAL A 69 -1.943 5.646 4.738 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.936 3.274 5.367 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.808 4.951 7.084 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.728 3.883 9.019 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.609 2.703 8.019 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.835 2.804 7.921 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.718 5.888 7.987 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.217 4.893 6.845 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.865 6.168 6.235 1.00 0.00 H new ATOM 1107 N ILE A 70 -4.234 3.035 5.639 1.00 0.00 N ATOM 1108 CA ILE A 70 -5.342 2.089 5.661 1.00 0.00 C ATOM 1109 C ILE A 70 -5.485 1.376 4.321 1.00 0.00 C ATOM 1110 O ILE A 70 -5.350 0.156 4.239 1.00 0.00 O ATOM 1111 CB ILE A 70 -6.673 2.788 6.001 1.00 0.00 C ATOM 1112 CG1 ILE A 70 -6.652 3.295 7.445 1.00 0.00 C ATOM 1113 CG2 ILE A 70 -7.841 1.838 5.784 1.00 0.00 C ATOM 1114 CD1 ILE A 70 -6.051 4.676 7.592 1.00 0.00 C ATOM 0 H ILE A 70 -4.515 4.015 5.667 1.00 0.00 H new ATOM 0 HA ILE A 70 -5.115 1.358 6.437 1.00 0.00 H new ATOM 0 HB ILE A 70 -6.798 3.643 5.337 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -7.671 3.308 7.832 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.087 2.594 8.059 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -8.774 2.346 6.028 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.863 1.521 4.741 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.724 0.965 6.426 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -6.069 4.971 8.641 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -5.021 4.664 7.236 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -6.630 5.389 7.005 1.00 0.00 H new ATOM 1126 N GLU A 71 -5.755 2.147 3.271 1.00 0.00 N ATOM 1127 CA GLU A 71 -5.914 1.589 1.934 1.00 0.00 C ATOM 1128 C GLU A 71 -4.946 0.430 1.710 1.00 0.00 C ATOM 1129 O GLU A 71 -5.344 -0.649 1.272 1.00 0.00 O ATOM 1130 CB GLU A 71 -5.685 2.670 0.876 1.00 0.00 C ATOM 1131 CG GLU A 71 -6.949 3.423 0.493 1.00 0.00 C ATOM 1132 CD GLU A 71 -7.870 2.605 -0.392 1.00 0.00 C ATOM 1133 OE1 GLU A 71 -8.227 1.476 0.006 1.00 0.00 O ATOM 1134 OE2 GLU A 71 -8.235 3.094 -1.482 1.00 0.00 O ATOM 0 H GLU A 71 -5.868 3.159 3.322 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.933 1.212 1.844 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -4.947 3.381 1.248 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.262 2.209 -0.017 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -7.483 3.712 1.398 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -6.677 4.343 -0.024 1.00 0.00 H new ATOM 1141 N VAL A 72 -3.673 0.663 2.014 1.00 0.00 N ATOM 1142 CA VAL A 72 -2.648 -0.360 1.845 1.00 0.00 C ATOM 1143 C VAL A 72 -2.861 -1.516 2.818 1.00 0.00 C ATOM 1144 O VAL A 72 -3.126 -2.645 2.406 1.00 0.00 O ATOM 1145 CB VAL A 72 -1.237 0.220 2.056 1.00 0.00 C ATOM 1146 CG1 VAL A 72 -0.208 -0.897 2.140 1.00 0.00 C ATOM 1147 CG2 VAL A 72 -0.889 1.193 0.939 1.00 0.00 C ATOM 0 H VAL A 72 -3.327 1.551 2.378 1.00 0.00 H new ATOM 0 HA VAL A 72 -2.732 -0.728 0.823 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.224 0.765 3.000 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.783 -0.468 2.289 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.450 -1.552 2.977 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -0.219 -1.472 1.214 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.111 1.593 1.104 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -0.919 0.673 -0.019 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.610 2.010 0.931 1.00 0.00 H new ATOM 1157 N GLN A 73 -2.744 -1.224 4.109 1.00 0.00 N ATOM 1158 CA GLN A 73 -2.924 -2.239 5.141 1.00 0.00 C ATOM 1159 C GLN A 73 -4.039 -3.208 4.761 1.00 0.00 C ATOM 1160 O GLN A 73 -3.892 -4.424 4.893 1.00 0.00 O ATOM 1161 CB GLN A 73 -3.238 -1.581 6.485 1.00 0.00 C ATOM 1162 CG GLN A 73 -2.006 -1.078 7.219 1.00 0.00 C ATOM 1163 CD GLN A 73 -1.215 -2.196 7.867 1.00 0.00 C ATOM 1164 OE1 GLN A 73 -1.767 -3.026 8.589 1.00 0.00 O ATOM 1165 NE2 GLN A 73 0.088 -2.225 7.611 1.00 0.00 N ATOM 0 H GLN A 73 -2.526 -0.294 4.466 1.00 0.00 H new ATOM 0 HA GLN A 73 -1.994 -2.801 5.230 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -3.919 -0.746 6.321 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -3.760 -2.298 7.118 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -1.364 -0.543 6.519 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -2.310 -0.363 7.984 1.00 0.00 H new ATOM 0 HE21 GLN A 73 0.505 -1.517 7.007 1.00 0.00 H new ATOM 0 HE22 GLN A 73 0.672 -2.955 8.019 1.00 0.00 H new ATOM 1174 N THR A 74 -5.156 -2.662 4.291 1.00 0.00 N ATOM 1175 CA THR A 74 -6.297 -3.477 3.895 1.00 0.00 C ATOM 1176 C THR A 74 -5.846 -4.733 3.158 1.00 0.00 C ATOM 1177 O THR A 74 -6.251 -5.846 3.500 1.00 0.00 O ATOM 1178 CB THR A 74 -7.266 -2.688 2.994 1.00 0.00 C ATOM 1179 OG1 THR A 74 -7.625 -1.453 3.625 1.00 0.00 O ATOM 1180 CG2 THR A 74 -8.520 -3.499 2.706 1.00 0.00 C ATOM 0 H THR A 74 -5.295 -1.658 4.175 1.00 0.00 H new ATOM 0 HA THR A 74 -6.814 -3.762 4.811 1.00 0.00 H new ATOM 0 HB THR A 74 -6.762 -2.481 2.050 1.00 0.00 H new ATOM 0 HG1 THR A 74 -6.839 -0.870 3.673 1.00 0.00 H new ATOM 0 HG21 THR A 74 -9.189 -2.921 2.068 1.00 0.00 H new ATOM 0 HG22 THR A 74 -8.246 -4.425 2.200 1.00 0.00 H new ATOM 0 HG23 THR A 74 -9.025 -3.733 3.643 1.00 0.00 H new ATOM 1188 N LEU A 75 -5.006 -4.550 2.145 1.00 0.00 N ATOM 1189 CA LEU A 75 -4.499 -5.670 1.360 1.00 0.00 C ATOM 1190 C LEU A 75 -3.661 -6.607 2.225 1.00 0.00 C ATOM 1191 O LEU A 75 -4.005 -7.776 2.402 1.00 0.00 O ATOM 1192 CB LEU A 75 -3.663 -5.157 0.187 1.00 0.00 C ATOM 1193 CG LEU A 75 -4.444 -4.663 -1.031 1.00 0.00 C ATOM 1194 CD1 LEU A 75 -3.515 -3.982 -2.023 1.00 0.00 C ATOM 1195 CD2 LEU A 75 -5.183 -5.816 -1.695 1.00 0.00 C ATOM 0 H LEU A 75 -4.662 -3.637 1.848 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.352 -6.228 0.975 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.034 -4.342 0.545 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.996 -5.957 -0.135 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.179 -3.932 -0.694 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.090 -3.638 -2.883 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.033 -3.130 -1.544 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.755 -4.690 -2.355 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.733 -5.446 -2.560 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.465 -6.571 -2.017 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.880 -6.259 -0.984 1.00 0.00 H new ATOM 1207 N ILE A 76 -2.564 -6.085 2.762 1.00 0.00 N ATOM 1208 CA ILE A 76 -1.680 -6.875 3.612 1.00 0.00 C ATOM 1209 C ILE A 76 -2.475 -7.837 4.487 1.00 0.00 C ATOM 1210 O ILE A 76 -2.079 -8.986 4.685 1.00 0.00 O ATOM 1211 CB ILE A 76 -0.813 -5.975 4.512 1.00 0.00 C ATOM 1212 CG1 ILE A 76 0.084 -5.075 3.660 1.00 0.00 C ATOM 1213 CG2 ILE A 76 0.021 -6.822 5.460 1.00 0.00 C ATOM 1214 CD1 ILE A 76 0.777 -3.988 4.452 1.00 0.00 C ATOM 0 H ILE A 76 -2.265 -5.119 2.624 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.030 -7.445 2.949 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.470 -5.340 5.107 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.837 -5.689 3.166 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.517 -4.615 2.876 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.629 -6.172 6.090 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -0.638 -7.422 6.087 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.671 -7.480 4.884 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.396 -3.389 3.784 1.00 0.00 H new ATOM 0 HD12 ILE A 76 0.030 -3.350 4.925 1.00 0.00 H new ATOM 0 HD13 ILE A 76 1.405 -4.441 5.219 1.00 0.00 H new ATOM 1226 N THR A 77 -3.601 -7.362 5.009 1.00 0.00 N ATOM 1227 CA THR A 77 -4.454 -8.180 5.863 1.00 0.00 C ATOM 1228 C THR A 77 -5.182 -9.247 5.053 1.00 0.00 C ATOM 1229 O THR A 77 -5.031 -10.442 5.307 1.00 0.00 O ATOM 1230 CB THR A 77 -5.491 -7.321 6.610 1.00 0.00 C ATOM 1231 OG1 THR A 77 -4.834 -6.266 7.322 1.00 0.00 O ATOM 1232 CG2 THR A 77 -6.298 -8.168 7.581 1.00 0.00 C ATOM 0 H THR A 77 -3.944 -6.414 4.855 1.00 0.00 H new ATOM 0 HA THR A 77 -3.802 -8.663 6.591 1.00 0.00 H new ATOM 0 HB THR A 77 -6.171 -6.893 5.874 1.00 0.00 H new ATOM 0 HG1 THR A 77 -4.484 -5.610 6.684 1.00 0.00 H new ATOM 0 HG21 THR A 77 -7.024 -7.539 8.096 1.00 0.00 H new ATOM 0 HG22 THR A 77 -6.822 -8.951 7.033 1.00 0.00 H new ATOM 0 HG23 THR A 77 -5.628 -8.622 8.311 1.00 0.00 H new ATOM 1240 N TYR A 78 -5.970 -8.807 4.080 1.00 0.00 N ATOM 1241 CA TYR A 78 -6.723 -9.725 3.233 1.00 0.00 C ATOM 1242 C TYR A 78 -5.920 -10.993 2.955 1.00 0.00 C ATOM 1243 O TYR A 78 -6.430 -12.106 3.089 1.00 0.00 O ATOM 1244 CB TYR A 78 -7.099 -9.046 1.915 1.00 0.00 C ATOM 1245 CG TYR A 78 -7.518 -10.015 0.832 1.00 0.00 C ATOM 1246 CD1 TYR A 78 -8.758 -10.639 0.872 1.00 0.00 C ATOM 1247 CD2 TYR A 78 -6.672 -10.305 -0.232 1.00 0.00 C ATOM 1248 CE1 TYR A 78 -9.143 -11.525 -0.115 1.00 0.00 C ATOM 1249 CE2 TYR A 78 -7.050 -11.188 -1.224 1.00 0.00 C ATOM 1250 CZ TYR A 78 -8.286 -11.797 -1.160 1.00 0.00 C ATOM 1251 OH TYR A 78 -8.668 -12.678 -2.147 1.00 0.00 O ATOM 0 H TYR A 78 -6.105 -7.821 3.857 1.00 0.00 H new ATOM 0 HA TYR A 78 -7.634 -10.003 3.763 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -7.913 -8.344 2.097 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -6.249 -8.464 1.561 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -9.433 -10.428 1.689 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -5.703 -9.832 -0.284 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -10.111 -12.002 -0.068 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -6.382 -11.401 -2.045 1.00 0.00 H new ATOM 0 HH TYR A 78 -8.257 -13.552 -1.982 1.00 0.00 H new ATOM 1261 N ILE A 79 -4.662 -10.814 2.565 1.00 0.00 N ATOM 1262 CA ILE A 79 -3.788 -11.942 2.269 1.00 0.00 C ATOM 1263 C ILE A 79 -3.643 -12.858 3.480 1.00 0.00 C ATOM 1264 O ILE A 79 -4.079 -14.009 3.456 1.00 0.00 O ATOM 1265 CB ILE A 79 -2.390 -11.469 1.827 1.00 0.00 C ATOM 1266 CG1 ILE A 79 -2.499 -10.559 0.601 1.00 0.00 C ATOM 1267 CG2 ILE A 79 -1.497 -12.664 1.528 1.00 0.00 C ATOM 1268 CD1 ILE A 79 -1.336 -9.604 0.452 1.00 0.00 C ATOM 0 H ILE A 79 -4.226 -9.899 2.447 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.251 -12.495 1.452 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.942 -10.899 2.641 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -2.569 -11.176 -0.295 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -3.424 -9.985 0.665 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.513 -12.314 1.217 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.398 -13.277 2.424 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -1.940 -13.258 0.729 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.480 -8.991 -0.437 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.278 -8.961 1.330 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.410 -10.171 0.355 1.00 0.00 H new ATOM 1280 N ASP A 80 -3.029 -12.339 4.538 1.00 0.00 N ATOM 1281 CA ASP A 80 -2.829 -13.108 5.760 1.00 0.00 C ATOM 1282 C ASP A 80 -4.031 -14.006 6.039 1.00 0.00 C ATOM 1283 O ASP A 80 -3.876 -15.168 6.417 1.00 0.00 O ATOM 1284 CB ASP A 80 -2.591 -12.171 6.945 1.00 0.00 C ATOM 1285 CG ASP A 80 -2.017 -12.894 8.148 1.00 0.00 C ATOM 1286 OD1 ASP A 80 -2.715 -13.765 8.705 1.00 0.00 O ATOM 1287 OD2 ASP A 80 -0.869 -12.587 8.533 1.00 0.00 O ATOM 0 H ASP A 80 -2.661 -11.388 4.573 1.00 0.00 H new ATOM 0 HA ASP A 80 -1.950 -13.738 5.624 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -1.910 -11.375 6.644 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -3.532 -11.697 7.224 1.00 0.00 H new ATOM 1292 N LEU A 81 -5.227 -13.461 5.852 1.00 0.00 N ATOM 1293 CA LEU A 81 -6.455 -14.212 6.085 1.00 0.00 C ATOM 1294 C LEU A 81 -6.581 -15.369 5.100 1.00 0.00 C ATOM 1295 O LEU A 81 -6.593 -16.536 5.494 1.00 0.00 O ATOM 1296 CB LEU A 81 -7.671 -13.290 5.963 1.00 0.00 C ATOM 1297 CG LEU A 81 -7.644 -12.028 6.825 1.00 0.00 C ATOM 1298 CD1 LEU A 81 -8.603 -10.985 6.273 1.00 0.00 C ATOM 1299 CD2 LEU A 81 -7.990 -12.360 8.269 1.00 0.00 C ATOM 0 H LEU A 81 -5.373 -12.501 5.539 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.415 -14.621 7.095 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.772 -12.991 4.920 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.563 -13.862 6.219 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.635 -11.616 6.800 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.571 -10.093 6.899 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.311 -10.725 5.256 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.616 -11.388 6.268 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -7.966 -11.449 8.868 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.988 -12.797 8.313 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.265 -13.072 8.662 1.00 0.00 H new ATOM 1311 N LYS A 82 -6.671 -15.040 3.816 1.00 0.00 N ATOM 1312 CA LYS A 82 -6.792 -16.051 2.772 1.00 0.00 C ATOM 1313 C LYS A 82 -5.746 -17.148 2.954 1.00 0.00 C ATOM 1314 O LYS A 82 -6.065 -18.335 2.906 1.00 0.00 O ATOM 1315 CB LYS A 82 -6.639 -15.410 1.391 1.00 0.00 C ATOM 1316 CG LYS A 82 -7.889 -14.695 0.911 1.00 0.00 C ATOM 1317 CD LYS A 82 -8.894 -15.667 0.317 1.00 0.00 C ATOM 1318 CE LYS A 82 -10.101 -14.940 -0.256 1.00 0.00 C ATOM 1319 NZ LYS A 82 -10.718 -15.693 -1.384 1.00 0.00 N ATOM 0 H LYS A 82 -6.662 -14.080 3.473 1.00 0.00 H new ATOM 0 HA LYS A 82 -7.782 -16.500 2.849 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -5.812 -14.700 1.419 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -6.372 -16.182 0.669 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -8.346 -14.161 1.744 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -7.618 -13.949 0.164 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -8.415 -16.253 -0.467 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -9.221 -16.368 1.085 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -10.842 -14.791 0.530 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -9.799 -13.951 -0.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -11.537 -15.165 -1.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -10.019 -15.813 -2.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -11.029 -16.627 -1.049 1.00 0.00 H new ATOM 1333 N GLU A 83 -4.498 -16.741 3.164 1.00 0.00 N ATOM 1334 CA GLU A 83 -3.408 -17.690 3.354 1.00 0.00 C ATOM 1335 C GLU A 83 -3.881 -18.913 4.134 1.00 0.00 C ATOM 1336 O GLU A 83 -3.629 -20.051 3.736 1.00 0.00 O ATOM 1337 CB GLU A 83 -2.243 -17.022 4.089 1.00 0.00 C ATOM 1338 CG GLU A 83 -1.324 -16.226 3.178 1.00 0.00 C ATOM 1339 CD GLU A 83 0.103 -16.180 3.685 1.00 0.00 C ATOM 1340 OE1 GLU A 83 0.295 -16.192 4.919 1.00 0.00 O ATOM 1341 OE2 GLU A 83 1.029 -16.131 2.849 1.00 0.00 O ATOM 0 H GLU A 83 -4.217 -15.761 3.207 1.00 0.00 H new ATOM 0 HA GLU A 83 -3.069 -18.016 2.371 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.641 -16.360 4.857 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -1.660 -17.788 4.600 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -1.337 -16.666 2.181 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -1.705 -15.209 3.083 1.00 0.00 H new