USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 773 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 13 CYS SG : rot 180:sc= -0.826 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.171) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 HIS :FLIP+bothHN:sc= -3.58 F(o=-4.3!,f=-3.6) USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 39 GLN : amide:sc= -0.391 K(o=-0.39,f=-1.3) USER MOD Single : A 47 ASN : amide:sc= -0.241 K(o=-0.24,f=-8.9!) USER MOD Single : A 53 LYS NZ :NH3+ -151:sc= 0.0448 (180deg=-1.25!) USER MOD Single : A 54 LYS NZ :NH3+ -108:sc= -1.43 (180deg=-4.09!) USER MOD Single : A 55 ASN : amide:sc= -0.0359 X(o=-0.036,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.821 K(o=-0.82,f=-2.3) USER MOD Single : A 69 SER OG : rot 180:sc= -0.0218 USER MOD Single : A 79 ASN : amide:sc= -0.0446 X(o=-0.045,f=0) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.434 K(o=-0.43,f=-2.2!) USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-2.1!) USER MOD Single : A 96 GLN : amide:sc= -0.101 X(o=-0.1,f=-0.1) USER MOD Single : A 98 SER OG : rot 23:sc= 0.792 USER MOD Single : A 103 SER OG : rot -170:sc= -1.19 USER MOD Single : A 104 THR OG1 : rot -105:sc= 1.19 USER MOD ----------------------------------------------------------------- ATOM 83 N ALA A 9 10.857 11.959 -17.153 1.00 0.00 N ATOM 84 CA ALA A 9 11.431 11.245 -16.019 1.00 0.00 C ATOM 85 C ALA A 9 11.486 9.745 -16.286 1.00 0.00 C ATOM 86 O ALA A 9 10.657 9.205 -17.017 1.00 0.00 O ATOM 87 CB ALA A 9 10.631 11.530 -14.757 1.00 0.00 C ATOM 0 HA ALA A 9 12.452 11.599 -15.876 1.00 0.00 H new ATOM 0 HB1 ALA A 9 11.071 10.991 -13.918 1.00 0.00 H new ATOM 0 HB2 ALA A 9 10.648 12.600 -14.549 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.601 11.204 -14.898 1.00 0.00 H new ATOM 93 N ALA A 10 12.467 9.078 -15.688 1.00 0.00 N ATOM 94 CA ALA A 10 12.629 7.639 -15.860 1.00 0.00 C ATOM 95 C ALA A 10 11.855 6.869 -14.796 1.00 0.00 C ATOM 96 O ALA A 10 11.481 7.407 -13.754 1.00 0.00 O ATOM 97 CB ALA A 10 14.103 7.265 -15.818 1.00 0.00 C ATOM 0 H ALA A 10 13.162 9.511 -15.080 1.00 0.00 H new ATOM 0 HA ALA A 10 12.224 7.366 -16.835 1.00 0.00 H new ATOM 0 HB1 ALA A 10 14.209 6.188 -15.948 1.00 0.00 H new ATOM 0 HB2 ALA A 10 14.632 7.781 -16.619 1.00 0.00 H new ATOM 0 HB3 ALA A 10 14.525 7.558 -14.857 1.00 0.00 H new ATOM 103 N PRO A 11 11.606 5.578 -15.063 1.00 0.00 N ATOM 104 CA PRO A 11 10.874 4.706 -14.140 1.00 0.00 C ATOM 105 C PRO A 11 11.674 4.393 -12.880 1.00 0.00 C ATOM 106 O PRO A 11 12.840 4.004 -12.954 1.00 0.00 O ATOM 107 CB PRO A 11 10.647 3.433 -14.959 1.00 0.00 C ATOM 108 CG PRO A 11 11.748 3.427 -15.963 1.00 0.00 C ATOM 109 CD PRO A 11 12.021 4.870 -16.286 1.00 0.00 C ATOM 0 HA PRO A 11 9.954 5.170 -13.784 1.00 0.00 H new ATOM 0 HB2 PRO A 11 10.682 2.545 -14.328 1.00 0.00 H new ATOM 0 HB3 PRO A 11 9.670 3.442 -15.443 1.00 0.00 H new ATOM 0 HG2 PRO A 11 12.638 2.941 -15.563 1.00 0.00 H new ATOM 0 HG3 PRO A 11 11.458 2.875 -16.857 1.00 0.00 H new ATOM 0 HD2 PRO A 11 13.074 5.039 -16.510 1.00 0.00 H new ATOM 0 HD3 PRO A 11 11.453 5.202 -17.155 1.00 0.00 H new ATOM 117 N LEU A 12 11.040 4.564 -11.725 1.00 0.00 N ATOM 118 CA LEU A 12 11.693 4.299 -10.448 1.00 0.00 C ATOM 119 C LEU A 12 11.345 2.904 -9.937 1.00 0.00 C ATOM 120 O LEU A 12 10.280 2.368 -10.245 1.00 0.00 O ATOM 121 CB LEU A 12 11.283 5.350 -9.415 1.00 0.00 C ATOM 122 CG LEU A 12 9.882 5.195 -8.820 1.00 0.00 C ATOM 123 CD1 LEU A 12 9.867 4.096 -7.769 1.00 0.00 C ATOM 124 CD2 LEU A 12 9.407 6.512 -8.224 1.00 0.00 C ATOM 0 H LEU A 12 10.075 4.885 -11.647 1.00 0.00 H new ATOM 0 HA LEU A 12 12.771 4.351 -10.602 1.00 0.00 H new ATOM 0 HB2 LEU A 12 12.006 5.331 -8.600 1.00 0.00 H new ATOM 0 HB3 LEU A 12 11.352 6.334 -9.880 1.00 0.00 H new ATOM 0 HG LEU A 12 9.197 4.913 -9.620 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.862 4.000 -7.357 1.00 0.00 H new ATOM 0 HD12 LEU A 12 10.163 3.152 -8.226 1.00 0.00 H new ATOM 0 HD13 LEU A 12 10.564 4.347 -6.970 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.409 6.383 -7.805 1.00 0.00 H new ATOM 0 HD22 LEU A 12 10.093 6.823 -7.436 1.00 0.00 H new ATOM 0 HD23 LEU A 12 9.378 7.274 -9.003 1.00 0.00 H new ATOM 136 N CYS A 13 12.248 2.324 -9.155 1.00 0.00 N ATOM 137 CA CYS A 13 12.036 0.992 -8.600 1.00 0.00 C ATOM 138 C CYS A 13 12.019 1.035 -7.075 1.00 0.00 C ATOM 139 O CYS A 13 12.874 1.663 -6.452 1.00 0.00 O ATOM 140 CB CYS A 13 13.128 0.036 -9.083 1.00 0.00 C ATOM 141 SG CYS A 13 12.947 -0.480 -10.807 1.00 0.00 S ATOM 0 H CYS A 13 13.134 2.755 -8.891 1.00 0.00 H new ATOM 0 HA CYS A 13 11.068 0.631 -8.946 1.00 0.00 H new ATOM 0 HB2 CYS A 13 14.098 0.517 -8.959 1.00 0.00 H new ATOM 0 HB3 CYS A 13 13.128 -0.850 -8.448 1.00 0.00 H new ATOM 0 HG CYS A 13 13.918 -1.285 -11.123 1.00 0.00 H new ATOM 147 N VAL A 14 11.038 0.363 -6.481 1.00 0.00 N ATOM 148 CA VAL A 14 10.908 0.324 -5.029 1.00 0.00 C ATOM 149 C VAL A 14 10.632 -1.093 -4.540 1.00 0.00 C ATOM 150 O VAL A 14 9.919 -1.858 -5.189 1.00 0.00 O ATOM 151 CB VAL A 14 9.780 1.253 -4.542 1.00 0.00 C ATOM 152 CG1 VAL A 14 10.165 2.711 -4.742 1.00 0.00 C ATOM 153 CG2 VAL A 14 8.478 0.933 -5.261 1.00 0.00 C ATOM 0 H VAL A 14 10.322 -0.162 -6.983 1.00 0.00 H new ATOM 0 HA VAL A 14 11.856 0.669 -4.616 1.00 0.00 H new ATOM 0 HB VAL A 14 9.630 1.085 -3.476 1.00 0.00 H new ATOM 0 HG11 VAL A 14 9.356 3.352 -4.392 1.00 0.00 H new ATOM 0 HG12 VAL A 14 11.071 2.929 -4.177 1.00 0.00 H new ATOM 0 HG13 VAL A 14 10.344 2.898 -5.801 1.00 0.00 H new ATOM 0 HG21 VAL A 14 7.692 1.599 -4.904 1.00 0.00 H new ATOM 0 HG22 VAL A 14 8.611 1.071 -6.334 1.00 0.00 H new ATOM 0 HG23 VAL A 14 8.196 -0.101 -5.060 1.00 0.00 H new ATOM 163 N LYS A 15 11.201 -1.437 -3.390 1.00 0.00 N ATOM 164 CA LYS A 15 11.016 -2.762 -2.810 1.00 0.00 C ATOM 165 C LYS A 15 9.879 -2.757 -1.793 1.00 0.00 C ATOM 166 O LYS A 15 9.981 -2.134 -0.736 1.00 0.00 O ATOM 167 CB LYS A 15 12.309 -3.234 -2.142 1.00 0.00 C ATOM 168 CG LYS A 15 13.259 -3.945 -3.091 1.00 0.00 C ATOM 169 CD LYS A 15 14.693 -3.886 -2.593 1.00 0.00 C ATOM 170 CE LYS A 15 15.393 -2.618 -3.057 1.00 0.00 C ATOM 171 NZ LYS A 15 16.861 -2.819 -3.210 1.00 0.00 N ATOM 0 H LYS A 15 11.795 -0.816 -2.840 1.00 0.00 H new ATOM 0 HA LYS A 15 10.758 -3.450 -3.615 1.00 0.00 H new ATOM 0 HB2 LYS A 15 12.819 -2.374 -1.708 1.00 0.00 H new ATOM 0 HB3 LYS A 15 12.060 -3.905 -1.320 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.954 -4.986 -3.201 1.00 0.00 H new ATOM 0 HG3 LYS A 15 13.197 -3.489 -4.079 1.00 0.00 H new ATOM 0 HD2 LYS A 15 14.703 -3.931 -1.504 1.00 0.00 H new ATOM 0 HD3 LYS A 15 15.240 -4.757 -2.953 1.00 0.00 H new ATOM 0 HE2 LYS A 15 14.969 -2.297 -4.009 1.00 0.00 H new ATOM 0 HE3 LYS A 15 15.209 -1.818 -2.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 17.302 -1.932 -3.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 17.270 -3.101 -2.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 17.038 -3.565 -3.913 1.00 0.00 H new ATOM 185 N VAL A 16 8.796 -3.456 -2.118 1.00 0.00 N ATOM 186 CA VAL A 16 7.641 -3.534 -1.232 1.00 0.00 C ATOM 187 C VAL A 16 7.633 -4.845 -0.454 1.00 0.00 C ATOM 188 O VAL A 16 7.805 -5.920 -1.029 1.00 0.00 O ATOM 189 CB VAL A 16 6.322 -3.407 -2.017 1.00 0.00 C ATOM 190 CG1 VAL A 16 5.130 -3.505 -1.077 1.00 0.00 C ATOM 191 CG2 VAL A 16 6.291 -2.102 -2.798 1.00 0.00 C ATOM 0 H VAL A 16 8.695 -3.977 -2.989 1.00 0.00 H new ATOM 0 HA VAL A 16 7.721 -2.701 -0.533 1.00 0.00 H new ATOM 0 HB VAL A 16 6.261 -4.231 -2.728 1.00 0.00 H new ATOM 0 HG11 VAL A 16 4.207 -3.413 -1.649 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.147 -4.468 -0.567 1.00 0.00 H new ATOM 0 HG13 VAL A 16 5.181 -2.704 -0.340 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.352 -2.029 -3.347 1.00 0.00 H new ATOM 0 HG22 VAL A 16 6.374 -1.263 -2.108 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.124 -2.078 -3.500 1.00 0.00 H new ATOM 201 N GLU A 17 7.432 -4.748 0.856 1.00 0.00 N ATOM 202 CA GLU A 17 7.401 -5.928 1.713 1.00 0.00 C ATOM 203 C GLU A 17 6.144 -5.940 2.578 1.00 0.00 C ATOM 204 O GLU A 17 5.833 -4.959 3.254 1.00 0.00 O ATOM 205 CB GLU A 17 8.646 -5.972 2.602 1.00 0.00 C ATOM 206 CG GLU A 17 8.984 -7.364 3.108 1.00 0.00 C ATOM 207 CD GLU A 17 9.945 -7.342 4.280 1.00 0.00 C ATOM 208 OE1 GLU A 17 10.627 -6.313 4.470 1.00 0.00 O ATOM 209 OE2 GLU A 17 10.016 -8.354 5.008 1.00 0.00 O ATOM 0 H GLU A 17 7.288 -3.866 1.347 1.00 0.00 H new ATOM 0 HA GLU A 17 7.388 -6.810 1.073 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.496 -5.582 2.042 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.496 -5.311 3.456 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.066 -7.871 3.405 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.421 -7.945 2.296 1.00 0.00 H new ATOM 216 N PHE A 18 5.426 -7.057 2.552 1.00 0.00 N ATOM 217 CA PHE A 18 4.202 -7.198 3.332 1.00 0.00 C ATOM 218 C PHE A 18 4.415 -8.139 4.514 1.00 0.00 C ATOM 219 O PHE A 18 5.097 -9.156 4.397 1.00 0.00 O ATOM 220 CB PHE A 18 3.066 -7.719 2.449 1.00 0.00 C ATOM 221 CG PHE A 18 2.691 -6.781 1.337 1.00 0.00 C ATOM 222 CD1 PHE A 18 3.348 -6.832 0.119 1.00 0.00 C ATOM 223 CD2 PHE A 18 1.683 -5.847 1.512 1.00 0.00 C ATOM 224 CE1 PHE A 18 3.006 -5.970 -0.906 1.00 0.00 C ATOM 225 CE2 PHE A 18 1.336 -4.983 0.491 1.00 0.00 C ATOM 226 CZ PHE A 18 1.999 -5.043 -0.719 1.00 0.00 C ATOM 0 H PHE A 18 5.670 -7.878 1.999 1.00 0.00 H new ATOM 0 HA PHE A 18 3.932 -6.215 3.717 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.360 -8.678 2.021 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.189 -7.902 3.070 1.00 0.00 H new ATOM 0 HD1 PHE A 18 4.137 -7.554 -0.032 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.163 -5.794 2.457 1.00 0.00 H new ATOM 0 HE1 PHE A 18 3.525 -6.021 -1.852 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.547 -4.261 0.639 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.731 -4.367 -1.517 1.00 0.00 H new ATOM 236 N GLY A 19 3.826 -7.790 5.654 1.00 0.00 N ATOM 237 CA GLY A 19 3.964 -8.612 6.842 1.00 0.00 C ATOM 238 C GLY A 19 3.421 -10.014 6.642 1.00 0.00 C ATOM 239 O GLY A 19 3.768 -10.689 5.675 1.00 0.00 O ATOM 0 H GLY A 19 3.256 -6.953 5.776 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.016 -8.669 7.121 1.00 0.00 H new ATOM 0 HA3 GLY A 19 3.440 -8.137 7.672 1.00 0.00 H new ATOM 243 N GLY A 20 2.568 -10.453 7.563 1.00 0.00 N ATOM 244 CA GLY A 20 1.992 -11.782 7.466 1.00 0.00 C ATOM 245 C GLY A 20 0.550 -11.756 7.001 1.00 0.00 C ATOM 246 O GLY A 20 -0.268 -11.006 7.532 1.00 0.00 O ATOM 0 H GLY A 20 2.266 -9.913 8.374 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.583 -12.381 6.773 1.00 0.00 H new ATOM 0 HA3 GLY A 20 2.048 -12.271 8.439 1.00 0.00 H new ATOM 250 N GLY A 21 0.236 -12.578 6.004 1.00 0.00 N ATOM 251 CA GLY A 21 -1.117 -12.630 5.482 1.00 0.00 C ATOM 252 C GLY A 21 -1.276 -11.831 4.204 1.00 0.00 C ATOM 253 O GLY A 21 -1.877 -12.304 3.240 1.00 0.00 O ATOM 0 H GLY A 21 0.895 -13.209 5.548 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.391 -13.668 5.294 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.808 -12.249 6.234 1.00 0.00 H new ATOM 257 N ALA A 22 -0.739 -10.615 4.196 1.00 0.00 N ATOM 258 CA ALA A 22 -0.824 -9.749 3.027 1.00 0.00 C ATOM 259 C ALA A 22 -0.121 -10.376 1.828 1.00 0.00 C ATOM 260 O ALA A 22 -0.691 -10.466 0.741 1.00 0.00 O ATOM 261 CB ALA A 22 -0.228 -8.384 3.337 1.00 0.00 C ATOM 0 H ALA A 22 -0.240 -10.208 4.987 1.00 0.00 H new ATOM 0 HA ALA A 22 -1.877 -9.624 2.773 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.298 -7.748 2.455 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.777 -7.926 4.160 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.819 -8.499 3.619 1.00 0.00 H new ATOM 267 N GLU A 23 1.120 -10.807 2.033 1.00 0.00 N ATOM 268 CA GLU A 23 1.900 -11.423 0.966 1.00 0.00 C ATOM 269 C GLU A 23 1.012 -12.280 0.069 1.00 0.00 C ATOM 270 O GLU A 23 1.119 -12.233 -1.158 1.00 0.00 O ATOM 271 CB GLU A 23 3.024 -12.278 1.555 1.00 0.00 C ATOM 272 CG GLU A 23 2.529 -13.511 2.292 1.00 0.00 C ATOM 273 CD GLU A 23 3.653 -14.284 2.956 1.00 0.00 C ATOM 274 OE1 GLU A 23 4.525 -14.804 2.228 1.00 0.00 O ATOM 275 OE2 GLU A 23 3.660 -14.369 4.201 1.00 0.00 O ATOM 0 H GLU A 23 1.606 -10.741 2.927 1.00 0.00 H new ATOM 0 HA GLU A 23 2.336 -10.627 0.363 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.692 -12.589 0.751 1.00 0.00 H new ATOM 0 HB3 GLU A 23 3.612 -11.668 2.240 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.803 -13.211 3.048 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.008 -14.164 1.592 1.00 0.00 H new ATOM 282 N LEU A 24 0.135 -13.063 0.688 1.00 0.00 N ATOM 283 CA LEU A 24 -0.772 -13.932 -0.054 1.00 0.00 C ATOM 284 C LEU A 24 -1.536 -13.144 -1.114 1.00 0.00 C ATOM 285 O LEU A 24 -1.655 -13.578 -2.260 1.00 0.00 O ATOM 286 CB LEU A 24 -1.755 -14.611 0.901 1.00 0.00 C ATOM 287 CG LEU A 24 -1.136 -15.492 1.987 1.00 0.00 C ATOM 288 CD1 LEU A 24 -2.198 -15.942 2.979 1.00 0.00 C ATOM 289 CD2 LEU A 24 -0.440 -16.694 1.366 1.00 0.00 C ATOM 0 H LEU A 24 0.033 -13.114 1.702 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.176 -14.695 -0.555 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.353 -13.839 1.385 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.439 -15.222 0.312 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.392 -14.904 2.525 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.739 -16.568 3.744 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.651 -15.069 3.448 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.966 -16.512 2.456 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.005 -17.310 2.153 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.164 -17.283 0.803 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.349 -16.352 0.696 1.00 0.00 H new ATOM 301 N LEU A 25 -2.051 -11.984 -0.723 1.00 0.00 N ATOM 302 CA LEU A 25 -2.802 -11.133 -1.640 1.00 0.00 C ATOM 303 C LEU A 25 -1.923 -10.671 -2.798 1.00 0.00 C ATOM 304 O LEU A 25 -2.407 -10.067 -3.756 1.00 0.00 O ATOM 305 CB LEU A 25 -3.364 -9.920 -0.896 1.00 0.00 C ATOM 306 CG LEU A 25 -4.612 -10.171 -0.049 1.00 0.00 C ATOM 307 CD1 LEU A 25 -4.647 -9.227 1.143 1.00 0.00 C ATOM 308 CD2 LEU A 25 -5.869 -10.014 -0.893 1.00 0.00 C ATOM 0 H LEU A 25 -1.963 -11.611 0.222 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.628 -11.718 -2.046 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.583 -9.523 -0.247 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.595 -9.146 -1.627 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.574 -11.194 0.325 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.542 -9.420 1.734 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.763 -9.387 1.760 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.661 -8.196 0.790 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.748 -10.196 -0.274 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.912 -9.002 -1.296 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.848 -10.731 -1.714 1.00 0.00 H new ATOM 320 N PHE A 26 -0.630 -10.962 -2.705 1.00 0.00 N ATOM 321 CA PHE A 26 0.316 -10.578 -3.746 1.00 0.00 C ATOM 322 C PHE A 26 1.256 -11.733 -4.080 1.00 0.00 C ATOM 323 O PHE A 26 2.328 -11.866 -3.489 1.00 0.00 O ATOM 324 CB PHE A 26 1.127 -9.358 -3.303 1.00 0.00 C ATOM 325 CG PHE A 26 0.278 -8.219 -2.816 1.00 0.00 C ATOM 326 CD1 PHE A 26 -0.200 -8.200 -1.516 1.00 0.00 C ATOM 327 CD2 PHE A 26 -0.042 -7.166 -3.659 1.00 0.00 C ATOM 328 CE1 PHE A 26 -0.981 -7.153 -1.064 1.00 0.00 C ATOM 329 CE2 PHE A 26 -0.823 -6.117 -3.213 1.00 0.00 C ATOM 330 CZ PHE A 26 -1.294 -6.111 -1.914 1.00 0.00 C ATOM 0 H PHE A 26 -0.213 -11.462 -1.920 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.251 -10.323 -4.641 1.00 0.00 H new ATOM 0 HB2 PHE A 26 1.812 -9.656 -2.509 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.737 -9.015 -4.138 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.041 -9.013 -0.847 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.323 -7.166 -4.675 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.346 -7.150 -0.047 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.065 -5.302 -3.879 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.906 -5.293 -1.564 1.00 0.00 H new ATOM 340 N ASP A 27 0.846 -12.565 -5.030 1.00 0.00 N ATOM 341 CA ASP A 27 1.650 -13.709 -5.444 1.00 0.00 C ATOM 342 C ASP A 27 2.324 -14.363 -4.242 1.00 0.00 C ATOM 343 O ASP A 27 3.388 -14.968 -4.367 1.00 0.00 O ATOM 344 CB ASP A 27 2.705 -13.276 -6.463 1.00 0.00 C ATOM 345 CG ASP A 27 3.336 -14.454 -7.179 1.00 0.00 C ATOM 346 OD1 ASP A 27 2.726 -14.959 -8.144 1.00 0.00 O ATOM 347 OD2 ASP A 27 4.442 -14.871 -6.774 1.00 0.00 O ATOM 0 H ASP A 27 -0.039 -12.469 -5.528 1.00 0.00 H new ATOM 0 HA ASP A 27 0.987 -14.439 -5.908 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.247 -12.612 -7.196 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.482 -12.704 -5.956 1.00 0.00 H new ATOM 352 N GLY A 28 1.697 -14.236 -3.076 1.00 0.00 N ATOM 353 CA GLY A 28 2.251 -14.818 -1.868 1.00 0.00 C ATOM 354 C GLY A 28 3.764 -14.735 -1.826 1.00 0.00 C ATOM 355 O GLY A 28 4.453 -15.741 -1.993 1.00 0.00 O ATOM 0 H GLY A 28 0.815 -13.740 -2.947 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.838 -14.306 -0.999 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.945 -15.862 -1.798 1.00 0.00 H new ATOM 359 N VAL A 29 4.283 -13.532 -1.604 1.00 0.00 N ATOM 360 CA VAL A 29 5.724 -13.320 -1.541 1.00 0.00 C ATOM 361 C VAL A 29 6.087 -12.324 -0.445 1.00 0.00 C ATOM 362 O VAL A 29 5.309 -11.424 -0.127 1.00 0.00 O ATOM 363 CB VAL A 29 6.276 -12.811 -2.885 1.00 0.00 C ATOM 364 CG1 VAL A 29 7.741 -12.426 -2.750 1.00 0.00 C ATOM 365 CG2 VAL A 29 6.091 -13.862 -3.970 1.00 0.00 C ATOM 0 H VAL A 29 3.727 -12.689 -1.465 1.00 0.00 H new ATOM 0 HA VAL A 29 6.175 -14.286 -1.314 1.00 0.00 H new ATOM 0 HB VAL A 29 5.716 -11.921 -3.173 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.113 -12.069 -3.710 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.843 -11.637 -2.005 1.00 0.00 H new ATOM 0 HG13 VAL A 29 8.319 -13.296 -2.438 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.487 -13.485 -4.913 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.623 -14.771 -3.690 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.030 -14.084 -4.085 1.00 0.00 H new ATOM 375 N LYS A 30 7.273 -12.491 0.130 1.00 0.00 N ATOM 376 CA LYS A 30 7.741 -11.606 1.190 1.00 0.00 C ATOM 377 C LYS A 30 8.119 -10.239 0.630 1.00 0.00 C ATOM 378 O LYS A 30 7.598 -9.212 1.065 1.00 0.00 O ATOM 379 CB LYS A 30 8.943 -12.226 1.906 1.00 0.00 C ATOM 380 CG LYS A 30 10.103 -12.550 0.979 1.00 0.00 C ATOM 381 CD LYS A 30 11.038 -13.577 1.595 1.00 0.00 C ATOM 382 CE LYS A 30 12.095 -12.916 2.467 1.00 0.00 C ATOM 383 NZ LYS A 30 11.630 -12.751 3.872 1.00 0.00 N ATOM 0 H LYS A 30 7.928 -13.232 -0.120 1.00 0.00 H new ATOM 0 HA LYS A 30 6.928 -11.474 1.904 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.288 -11.540 2.680 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.624 -13.139 2.409 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.718 -12.928 0.032 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.658 -11.639 0.756 1.00 0.00 H new ATOM 0 HD2 LYS A 30 10.462 -14.283 2.192 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.523 -14.150 0.804 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.005 -13.517 2.454 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.351 -11.941 2.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.452 -12.624 4.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.013 -11.917 3.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.101 -13.597 4.164 1.00 0.00 H new ATOM 397 N LYS A 31 9.028 -10.232 -0.340 1.00 0.00 N ATOM 398 CA LYS A 31 9.474 -8.992 -0.962 1.00 0.00 C ATOM 399 C LYS A 31 9.077 -8.948 -2.434 1.00 0.00 C ATOM 400 O LYS A 31 9.188 -9.946 -3.147 1.00 0.00 O ATOM 401 CB LYS A 31 10.992 -8.847 -0.828 1.00 0.00 C ATOM 402 CG LYS A 31 11.441 -8.415 0.557 1.00 0.00 C ATOM 403 CD LYS A 31 12.935 -8.138 0.597 1.00 0.00 C ATOM 404 CE LYS A 31 13.385 -7.708 1.985 1.00 0.00 C ATOM 405 NZ LYS A 31 13.186 -6.249 2.206 1.00 0.00 N ATOM 0 H LYS A 31 9.470 -11.073 -0.712 1.00 0.00 H new ATOM 0 HA LYS A 31 8.989 -8.162 -0.448 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.463 -9.799 -1.073 1.00 0.00 H new ATOM 0 HB3 LYS A 31 11.345 -8.119 -1.559 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.896 -7.519 0.855 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.195 -9.193 1.280 1.00 0.00 H new ATOM 0 HD2 LYS A 31 13.480 -9.033 0.298 1.00 0.00 H new ATOM 0 HD3 LYS A 31 13.181 -7.359 -0.124 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.829 -8.268 2.737 1.00 0.00 H new ATOM 0 HE3 LYS A 31 14.438 -7.955 2.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.505 -5.996 3.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.737 -5.713 1.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.177 -6.017 2.105 1.00 0.00 H new ATOM 419 N HIS A 32 8.615 -7.786 -2.884 1.00 0.00 N ATOM 420 CA HIS A 32 8.203 -7.612 -4.272 1.00 0.00 C ATOM 421 C HIS A 32 8.914 -6.419 -4.905 1.00 0.00 C ATOM 422 O HIS A 32 8.833 -5.299 -4.401 1.00 0.00 O ATOM 423 CB HIS A 32 6.688 -7.422 -4.357 1.00 0.00 C ATOM 424 CG HIS A 32 5.924 -8.253 -3.374 1.00 0.00 C ATOM 425 ND1 HIS A 32 5.754 -8.113 -2.038 1.00 0.00 N flip ATOM 426 CD2 HIS A 32 5.223 -9.386 -3.731 1.00 0.00 C flip ATOM 427 CE1 HIS A 32 4.961 -9.152 -1.617 1.00 0.00 C flip ATOM 428 NE2 HIS A 32 4.654 -9.905 -2.658 1.00 0.00 N flip ATOM 0 H HIS A 32 8.517 -6.950 -2.307 1.00 0.00 H new ATOM 0 HA HIS A 32 8.480 -8.511 -4.822 1.00 0.00 H new ATOM 0 HB2 HIS A 32 6.452 -6.371 -4.192 1.00 0.00 H new ATOM 0 HB3 HIS A 32 6.355 -7.669 -5.365 1.00 0.00 H new ATOM 0 HD1 HIS A 32 6.143 -7.373 -1.453 1.00 0.00 H new ATOM 0 HD2 HIS A 32 5.151 -9.786 -4.732 1.00 0.00 H new ATOM 0 HE1 HIS A 32 4.640 -9.325 -0.600 1.00 0.00 H new ATOM 0 HE2 HIS A 32 4.076 -10.745 -2.637 1.00 0.00 H new ATOM 437 N GLN A 33 9.610 -6.669 -6.009 1.00 0.00 N ATOM 438 CA GLN A 33 10.336 -5.615 -6.708 1.00 0.00 C ATOM 439 C GLN A 33 9.425 -4.885 -7.690 1.00 0.00 C ATOM 440 O GLN A 33 9.049 -5.431 -8.727 1.00 0.00 O ATOM 441 CB GLN A 33 11.539 -6.201 -7.450 1.00 0.00 C ATOM 442 CG GLN A 33 12.597 -6.785 -6.527 1.00 0.00 C ATOM 443 CD GLN A 33 13.818 -7.277 -7.278 1.00 0.00 C ATOM 444 OE1 GLN A 33 13.768 -7.504 -8.487 1.00 0.00 O ATOM 445 NE2 GLN A 33 14.925 -7.445 -6.563 1.00 0.00 N ATOM 0 H GLN A 33 9.687 -7.591 -6.438 1.00 0.00 H new ATOM 0 HA GLN A 33 10.689 -4.898 -5.966 1.00 0.00 H new ATOM 0 HB2 GLN A 33 11.192 -6.979 -8.130 1.00 0.00 H new ATOM 0 HB3 GLN A 33 11.993 -5.422 -8.062 1.00 0.00 H new ATOM 0 HG2 GLN A 33 12.900 -6.028 -5.804 1.00 0.00 H new ATOM 0 HG3 GLN A 33 12.165 -7.611 -5.962 1.00 0.00 H new ATOM 0 HE21 GLN A 33 14.921 -7.245 -5.563 1.00 0.00 H new ATOM 0 HE22 GLN A 33 15.778 -7.774 -7.014 1.00 0.00 H new ATOM 454 N VAL A 34 9.073 -3.648 -7.355 1.00 0.00 N ATOM 455 CA VAL A 34 8.206 -2.843 -8.207 1.00 0.00 C ATOM 456 C VAL A 34 9.014 -1.833 -9.015 1.00 0.00 C ATOM 457 O VAL A 34 10.012 -1.296 -8.536 1.00 0.00 O ATOM 458 CB VAL A 34 7.147 -2.091 -7.379 1.00 0.00 C ATOM 459 CG1 VAL A 34 6.170 -1.366 -8.293 1.00 0.00 C ATOM 460 CG2 VAL A 34 6.413 -3.052 -6.456 1.00 0.00 C ATOM 0 H VAL A 34 9.375 -3.181 -6.500 1.00 0.00 H new ATOM 0 HA VAL A 34 7.704 -3.531 -8.887 1.00 0.00 H new ATOM 0 HB VAL A 34 7.653 -1.346 -6.764 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.429 -0.841 -7.690 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.712 -0.648 -8.909 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.668 -2.089 -8.936 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.668 -2.504 -5.878 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.918 -3.820 -7.050 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.126 -3.521 -5.778 1.00 0.00 H new ATOM 470 N ALA A 35 8.575 -1.579 -10.243 1.00 0.00 N ATOM 471 CA ALA A 35 9.255 -0.632 -11.117 1.00 0.00 C ATOM 472 C ALA A 35 8.260 0.309 -11.788 1.00 0.00 C ATOM 473 O ALA A 35 7.779 0.038 -12.889 1.00 0.00 O ATOM 474 CB ALA A 35 10.072 -1.374 -12.165 1.00 0.00 C ATOM 0 H ALA A 35 7.751 -2.016 -10.655 1.00 0.00 H new ATOM 0 HA ALA A 35 9.928 -0.031 -10.506 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.575 -0.654 -12.811 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.816 -1.999 -11.671 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.412 -2.001 -12.765 1.00 0.00 H new ATOM 480 N LEU A 36 7.955 1.415 -11.118 1.00 0.00 N ATOM 481 CA LEU A 36 7.016 2.396 -11.649 1.00 0.00 C ATOM 482 C LEU A 36 7.548 3.018 -12.936 1.00 0.00 C ATOM 483 O LEU A 36 8.754 3.171 -13.128 1.00 0.00 O ATOM 484 CB LEU A 36 6.750 3.490 -10.612 1.00 0.00 C ATOM 485 CG LEU A 36 6.366 3.009 -9.213 1.00 0.00 C ATOM 486 CD1 LEU A 36 6.459 4.150 -8.212 1.00 0.00 C ATOM 487 CD2 LEU A 36 4.965 2.415 -9.218 1.00 0.00 C ATOM 0 H LEU A 36 8.344 1.654 -10.206 1.00 0.00 H new ATOM 0 HA LEU A 36 6.081 1.883 -11.875 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.643 4.109 -10.529 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.952 4.131 -10.986 1.00 0.00 H new ATOM 0 HG LEU A 36 7.068 2.231 -8.913 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.182 3.789 -7.222 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.480 4.530 -8.187 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.781 4.951 -8.509 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.709 2.078 -8.213 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.250 3.172 -9.540 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.931 1.569 -9.904 1.00 0.00 H new ATOM 499 N PRO A 37 6.628 3.388 -13.839 1.00 0.00 N ATOM 500 CA PRO A 37 6.980 4.002 -15.123 1.00 0.00 C ATOM 501 C PRO A 37 7.529 5.415 -14.958 1.00 0.00 C ATOM 502 O PRO A 37 7.716 5.892 -13.840 1.00 0.00 O ATOM 503 CB PRO A 37 5.650 4.029 -15.880 1.00 0.00 C ATOM 504 CG PRO A 37 4.608 4.039 -14.816 1.00 0.00 C ATOM 505 CD PRO A 37 5.172 3.235 -13.677 1.00 0.00 C ATOM 0 HA PRO A 37 7.767 3.450 -15.637 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.575 4.911 -16.516 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.546 3.159 -16.528 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.382 5.058 -14.500 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.677 3.603 -15.178 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.833 3.613 -12.712 1.00 0.00 H new ATOM 0 HD3 PRO A 37 4.869 2.190 -13.734 1.00 0.00 H new ATOM 513 N GLY A 38 7.784 6.081 -16.080 1.00 0.00 N ATOM 514 CA GLY A 38 8.308 7.434 -16.038 1.00 0.00 C ATOM 515 C GLY A 38 7.350 8.445 -16.634 1.00 0.00 C ATOM 516 O GLY A 38 6.782 8.217 -17.702 1.00 0.00 O ATOM 0 H GLY A 38 7.637 5.708 -17.018 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.521 7.706 -15.004 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.254 7.471 -16.579 1.00 0.00 H new ATOM 520 N GLN A 39 7.169 9.566 -15.942 1.00 0.00 N ATOM 521 CA GLN A 39 6.270 10.615 -16.409 1.00 0.00 C ATOM 522 C GLN A 39 6.648 11.964 -15.806 1.00 0.00 C ATOM 523 O GLN A 39 7.533 12.047 -14.955 1.00 0.00 O ATOM 524 CB GLN A 39 4.823 10.271 -16.054 1.00 0.00 C ATOM 525 CG GLN A 39 4.646 9.782 -14.626 1.00 0.00 C ATOM 526 CD GLN A 39 3.224 9.939 -14.126 1.00 0.00 C ATOM 527 OE1 GLN A 39 2.325 10.306 -14.883 1.00 0.00 O ATOM 528 NE2 GLN A 39 3.012 9.662 -12.845 1.00 0.00 N ATOM 0 H GLN A 39 7.633 9.771 -15.057 1.00 0.00 H new ATOM 0 HA GLN A 39 6.364 10.683 -17.493 1.00 0.00 H new ATOM 0 HB2 GLN A 39 4.201 11.153 -16.207 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.462 9.504 -16.739 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.933 8.732 -14.568 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.320 10.334 -13.971 1.00 0.00 H new ATOM 0 HE21 GLN A 39 3.786 9.361 -12.253 1.00 0.00 H new ATOM 0 HE22 GLN A 39 2.075 9.750 -12.452 1.00 0.00 H new ATOM 537 N GLU A 40 5.972 13.017 -16.253 1.00 0.00 N ATOM 538 CA GLU A 40 6.238 14.362 -15.757 1.00 0.00 C ATOM 539 C GLU A 40 5.954 14.457 -14.261 1.00 0.00 C ATOM 540 O GLU A 40 6.670 15.134 -13.524 1.00 0.00 O ATOM 541 CB GLU A 40 5.390 15.386 -16.514 1.00 0.00 C ATOM 542 CG GLU A 40 5.818 15.582 -17.959 1.00 0.00 C ATOM 543 CD GLU A 40 5.561 14.358 -18.815 1.00 0.00 C ATOM 544 OE1 GLU A 40 4.513 13.707 -18.619 1.00 0.00 O ATOM 545 OE2 GLU A 40 6.408 14.049 -19.679 1.00 0.00 O ATOM 0 H GLU A 40 5.236 12.965 -16.958 1.00 0.00 H new ATOM 0 HA GLU A 40 7.293 14.580 -15.923 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.347 15.069 -16.493 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.443 16.343 -15.995 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.284 16.434 -18.380 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.880 15.825 -17.990 1.00 0.00 H new ATOM 552 N GLU A 41 4.903 13.772 -13.819 1.00 0.00 N ATOM 553 CA GLU A 41 4.523 13.780 -12.412 1.00 0.00 C ATOM 554 C GLU A 41 5.126 12.585 -11.679 1.00 0.00 C ATOM 555 O GLU A 41 4.993 11.436 -12.098 1.00 0.00 O ATOM 556 CB GLU A 41 3.000 13.763 -12.271 1.00 0.00 C ATOM 557 CG GLU A 41 2.331 15.046 -12.735 1.00 0.00 C ATOM 558 CD GLU A 41 0.894 15.159 -12.263 1.00 0.00 C ATOM 559 OE1 GLU A 41 0.637 14.877 -11.074 1.00 0.00 O ATOM 560 OE2 GLU A 41 0.028 15.528 -13.083 1.00 0.00 O ATOM 0 H GLU A 41 4.300 13.205 -14.415 1.00 0.00 H new ATOM 0 HA GLU A 41 4.911 14.694 -11.963 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.600 12.927 -12.844 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.742 13.586 -11.227 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.899 15.901 -12.367 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.356 15.091 -13.824 1.00 0.00 H new ATOM 567 N PRO A 42 5.807 12.862 -10.557 1.00 0.00 N ATOM 568 CA PRO A 42 6.444 11.824 -9.741 1.00 0.00 C ATOM 569 C PRO A 42 5.426 10.944 -9.023 1.00 0.00 C ATOM 570 O PRO A 42 4.370 11.417 -8.604 1.00 0.00 O ATOM 571 CB PRO A 42 7.268 12.624 -8.729 1.00 0.00 C ATOM 572 CG PRO A 42 6.575 13.939 -8.631 1.00 0.00 C ATOM 573 CD PRO A 42 6.006 14.209 -9.997 1.00 0.00 C ATOM 0 HA PRO A 42 7.036 11.137 -10.345 1.00 0.00 H new ATOM 0 HB2 PRO A 42 7.303 12.122 -7.762 1.00 0.00 H new ATOM 0 HB3 PRO A 42 8.298 12.744 -9.064 1.00 0.00 H new ATOM 0 HG2 PRO A 42 5.787 13.910 -7.879 1.00 0.00 H new ATOM 0 HG3 PRO A 42 7.269 14.725 -8.335 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.069 14.763 -9.939 1.00 0.00 H new ATOM 0 HD3 PRO A 42 6.689 14.801 -10.607 1.00 0.00 H new ATOM 581 N TRP A 43 5.752 9.664 -8.885 1.00 0.00 N ATOM 582 CA TRP A 43 4.865 8.718 -8.217 1.00 0.00 C ATOM 583 C TRP A 43 4.736 9.047 -6.734 1.00 0.00 C ATOM 584 O TRP A 43 5.735 9.266 -6.048 1.00 0.00 O ATOM 585 CB TRP A 43 5.383 7.290 -8.392 1.00 0.00 C ATOM 586 CG TRP A 43 4.979 6.667 -9.693 1.00 0.00 C ATOM 587 CD1 TRP A 43 5.602 6.812 -10.900 1.00 0.00 C ATOM 588 CD2 TRP A 43 3.860 5.802 -9.918 1.00 0.00 C ATOM 589 NE1 TRP A 43 4.937 6.089 -11.862 1.00 0.00 N ATOM 590 CE2 TRP A 43 3.866 5.460 -11.285 1.00 0.00 C ATOM 591 CE3 TRP A 43 2.855 5.281 -9.098 1.00 0.00 C ATOM 592 CZ2 TRP A 43 2.906 4.623 -11.846 1.00 0.00 C ATOM 593 CZ3 TRP A 43 1.903 4.451 -9.657 1.00 0.00 C ATOM 594 CH2 TRP A 43 1.934 4.127 -11.020 1.00 0.00 C ATOM 0 H TRP A 43 6.623 9.257 -9.226 1.00 0.00 H new ATOM 0 HA TRP A 43 3.879 8.798 -8.675 1.00 0.00 H new ATOM 0 HB2 TRP A 43 6.471 7.295 -8.322 1.00 0.00 H new ATOM 0 HB3 TRP A 43 5.013 6.674 -7.572 1.00 0.00 H new ATOM 0 HD1 TRP A 43 6.487 7.407 -11.073 1.00 0.00 H new ATOM 0 HE1 TRP A 43 5.199 6.031 -12.846 1.00 0.00 H new ATOM 0 HE3 TRP A 43 2.823 5.523 -8.046 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 2.927 4.374 -12.897 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.121 4.045 -9.033 1.00 0.00 H new ATOM 0 HH2 TRP A 43 1.176 3.473 -11.426 1.00 0.00 H new ATOM 605 N ASP A 44 3.501 9.080 -6.244 1.00 0.00 N ATOM 606 CA ASP A 44 3.243 9.382 -4.841 1.00 0.00 C ATOM 607 C ASP A 44 2.431 8.268 -4.187 1.00 0.00 C ATOM 608 O ASP A 44 1.723 7.523 -4.864 1.00 0.00 O ATOM 609 CB ASP A 44 2.501 10.713 -4.712 1.00 0.00 C ATOM 610 CG ASP A 44 2.941 11.724 -5.752 1.00 0.00 C ATOM 611 OD1 ASP A 44 4.101 11.643 -6.205 1.00 0.00 O ATOM 612 OD2 ASP A 44 2.124 12.598 -6.113 1.00 0.00 O ATOM 0 H ASP A 44 2.663 8.901 -6.798 1.00 0.00 H new ATOM 0 HA ASP A 44 4.202 9.458 -4.328 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.429 10.539 -4.809 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.668 11.124 -3.716 1.00 0.00 H new ATOM 617 N ILE A 45 2.542 8.159 -2.867 1.00 0.00 N ATOM 618 CA ILE A 45 1.819 7.137 -2.122 1.00 0.00 C ATOM 619 C ILE A 45 0.451 6.868 -2.742 1.00 0.00 C ATOM 620 O ILE A 45 0.191 5.775 -3.246 1.00 0.00 O ATOM 621 CB ILE A 45 1.631 7.541 -0.648 1.00 0.00 C ATOM 622 CG1 ILE A 45 2.990 7.744 0.025 1.00 0.00 C ATOM 623 CG2 ILE A 45 0.820 6.487 0.091 1.00 0.00 C ATOM 624 CD1 ILE A 45 3.777 6.464 0.195 1.00 0.00 C ATOM 0 H ILE A 45 3.126 8.766 -2.292 1.00 0.00 H new ATOM 0 HA ILE A 45 2.421 6.229 -2.167 1.00 0.00 H new ATOM 0 HB ILE A 45 1.084 8.483 -0.612 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.578 8.447 -0.566 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.837 8.200 1.003 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.696 6.787 1.132 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.159 6.387 -0.377 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.342 5.531 0.049 1.00 0.00 H new ATOM 0 HD11 ILE A 45 4.729 6.684 0.679 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.209 5.767 0.811 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.961 6.017 -0.782 1.00 0.00 H new ATOM 636 N ARG A 46 -0.418 7.873 -2.703 1.00 0.00 N ATOM 637 CA ARG A 46 -1.758 7.745 -3.261 1.00 0.00 C ATOM 638 C ARG A 46 -1.730 6.963 -4.571 1.00 0.00 C ATOM 639 O ARG A 46 -2.553 6.077 -4.794 1.00 0.00 O ATOM 640 CB ARG A 46 -2.370 9.128 -3.494 1.00 0.00 C ATOM 641 CG ARG A 46 -1.515 10.034 -4.365 1.00 0.00 C ATOM 642 CD ARG A 46 -2.056 11.455 -4.389 1.00 0.00 C ATOM 643 NE ARG A 46 -3.429 11.510 -4.883 1.00 0.00 N ATOM 644 CZ ARG A 46 -4.130 12.634 -4.981 1.00 0.00 C ATOM 645 NH1 ARG A 46 -3.590 13.790 -4.620 1.00 0.00 N ATOM 646 NH2 ARG A 46 -5.375 12.603 -5.440 1.00 0.00 N ATOM 0 H ARG A 46 -0.218 8.784 -2.291 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.372 7.198 -2.545 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.349 9.009 -3.959 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.532 9.611 -2.531 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -0.491 10.039 -3.991 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.482 9.639 -5.380 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -2.015 11.875 -3.384 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -1.419 12.075 -5.020 1.00 0.00 H new ATOM 0 HE ARG A 46 -3.874 10.638 -5.168 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -2.634 13.818 -4.266 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -4.131 14.651 -4.696 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -5.794 11.716 -5.718 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -5.913 13.467 -5.515 1.00 0.00 H new ATOM 660 N ASN A 47 -0.776 7.299 -5.434 1.00 0.00 N ATOM 661 CA ASN A 47 -0.640 6.629 -6.722 1.00 0.00 C ATOM 662 C ASN A 47 -0.124 5.205 -6.543 1.00 0.00 C ATOM 663 O ASN A 47 -0.747 4.244 -6.997 1.00 0.00 O ATOM 664 CB ASN A 47 0.304 7.415 -7.633 1.00 0.00 C ATOM 665 CG ASN A 47 0.078 8.912 -7.546 1.00 0.00 C ATOM 666 OD1 ASN A 47 0.854 9.633 -6.918 1.00 0.00 O ATOM 667 ND2 ASN A 47 -0.990 9.387 -8.177 1.00 0.00 N ATOM 0 H ASN A 47 -0.086 8.031 -5.264 1.00 0.00 H new ATOM 0 HA ASN A 47 -1.626 6.584 -7.185 1.00 0.00 H new ATOM 0 HB2 ASN A 47 1.336 7.190 -7.363 1.00 0.00 H new ATOM 0 HB3 ASN A 47 0.165 7.089 -8.664 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -1.194 10.386 -8.153 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -1.606 8.753 -8.685 1.00 0.00 H new ATOM 674 N LEU A 48 1.019 5.075 -5.877 1.00 0.00 N ATOM 675 CA LEU A 48 1.620 3.768 -5.637 1.00 0.00 C ATOM 676 C LEU A 48 0.552 2.729 -5.310 1.00 0.00 C ATOM 677 O LEU A 48 0.596 1.602 -5.803 1.00 0.00 O ATOM 678 CB LEU A 48 2.632 3.853 -4.493 1.00 0.00 C ATOM 679 CG LEU A 48 3.514 2.621 -4.284 1.00 0.00 C ATOM 680 CD1 LEU A 48 4.687 2.634 -5.252 1.00 0.00 C ATOM 681 CD2 LEU A 48 4.007 2.557 -2.846 1.00 0.00 C ATOM 0 H LEU A 48 1.548 5.859 -5.494 1.00 0.00 H new ATOM 0 HA LEU A 48 2.134 3.459 -6.547 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.279 4.712 -4.670 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.089 4.048 -3.568 1.00 0.00 H new ATOM 0 HG LEU A 48 2.916 1.731 -4.482 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.303 1.750 -5.089 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.314 2.632 -6.276 1.00 0.00 H new ATOM 0 HD13 LEU A 48 5.286 3.530 -5.086 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.633 1.674 -2.715 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.588 3.451 -2.621 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.153 2.500 -2.171 1.00 0.00 H new ATOM 693 N LEU A 49 -0.407 3.117 -4.476 1.00 0.00 N ATOM 694 CA LEU A 49 -1.489 2.220 -4.084 1.00 0.00 C ATOM 695 C LEU A 49 -2.141 1.586 -5.309 1.00 0.00 C ATOM 696 O LEU A 49 -2.216 0.363 -5.423 1.00 0.00 O ATOM 697 CB LEU A 49 -2.537 2.979 -3.269 1.00 0.00 C ATOM 698 CG LEU A 49 -2.338 2.977 -1.753 1.00 0.00 C ATOM 699 CD1 LEU A 49 -2.128 1.559 -1.244 1.00 0.00 C ATOM 700 CD2 LEU A 49 -1.162 3.863 -1.368 1.00 0.00 C ATOM 0 H LEU A 49 -0.457 4.046 -4.058 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.065 1.426 -3.469 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.555 4.014 -3.612 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.516 2.553 -3.487 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.238 3.379 -1.287 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.988 1.577 -0.163 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.000 0.952 -1.487 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.245 1.130 -1.717 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.035 3.849 -0.285 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.255 3.491 -1.844 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.352 4.884 -1.698 1.00 0.00 H new ATOM 712 N VAL A 50 -2.611 2.428 -6.224 1.00 0.00 N ATOM 713 CA VAL A 50 -3.254 1.951 -7.443 1.00 0.00 C ATOM 714 C VAL A 50 -2.480 0.789 -8.055 1.00 0.00 C ATOM 715 O VAL A 50 -2.972 -0.338 -8.112 1.00 0.00 O ATOM 716 CB VAL A 50 -3.382 3.075 -8.488 1.00 0.00 C ATOM 717 CG1 VAL A 50 -3.983 2.539 -9.778 1.00 0.00 C ATOM 718 CG2 VAL A 50 -4.217 4.221 -7.936 1.00 0.00 C ATOM 0 H VAL A 50 -2.559 3.444 -6.144 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.251 1.612 -7.162 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.386 3.456 -8.711 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.066 3.348 -10.504 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.342 1.754 -10.180 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.973 2.130 -9.576 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.298 5.007 -8.687 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.213 3.857 -7.683 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.739 4.621 -7.042 1.00 0.00 H new ATOM 728 N TRP A 51 -1.265 1.071 -8.511 1.00 0.00 N ATOM 729 CA TRP A 51 -0.420 0.049 -9.119 1.00 0.00 C ATOM 730 C TRP A 51 -0.401 -1.217 -8.269 1.00 0.00 C ATOM 731 O TRP A 51 -0.723 -2.304 -8.752 1.00 0.00 O ATOM 732 CB TRP A 51 1.004 0.576 -9.301 1.00 0.00 C ATOM 733 CG TRP A 51 1.850 -0.290 -10.184 1.00 0.00 C ATOM 734 CD1 TRP A 51 2.118 -0.096 -11.509 1.00 0.00 C ATOM 735 CD2 TRP A 51 2.536 -1.488 -9.805 1.00 0.00 C ATOM 736 NE1 TRP A 51 2.930 -1.102 -11.976 1.00 0.00 N ATOM 737 CE2 TRP A 51 3.202 -1.968 -10.950 1.00 0.00 C ATOM 738 CE3 TRP A 51 2.656 -2.201 -8.609 1.00 0.00 C ATOM 739 CZ2 TRP A 51 3.972 -3.127 -10.932 1.00 0.00 C ATOM 740 CZ3 TRP A 51 3.421 -3.352 -8.593 1.00 0.00 C ATOM 741 CH2 TRP A 51 4.072 -3.805 -9.748 1.00 0.00 C ATOM 0 H TRP A 51 -0.843 1.999 -8.471 1.00 0.00 H new ATOM 0 HA TRP A 51 -0.836 -0.197 -10.096 1.00 0.00 H new ATOM 0 HB2 TRP A 51 0.961 1.580 -9.723 1.00 0.00 H new ATOM 0 HB3 TRP A 51 1.480 0.661 -8.324 1.00 0.00 H new ATOM 0 HD1 TRP A 51 1.747 0.726 -12.102 1.00 0.00 H new ATOM 0 HE1 TRP A 51 3.274 -1.190 -12.932 1.00 0.00 H new ATOM 0 HE3 TRP A 51 2.160 -1.859 -7.713 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 4.473 -3.479 -11.822 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 3.519 -3.912 -7.675 1.00 0.00 H new ATOM 0 HH2 TRP A 51 4.664 -4.707 -9.703 1.00 0.00 H new ATOM 752 N ILE A 52 -0.024 -1.070 -7.004 1.00 0.00 N ATOM 753 CA ILE A 52 0.035 -2.203 -6.088 1.00 0.00 C ATOM 754 C ILE A 52 -1.290 -2.957 -6.061 1.00 0.00 C ATOM 755 O ILE A 52 -1.317 -4.185 -5.966 1.00 0.00 O ATOM 756 CB ILE A 52 0.386 -1.753 -4.658 1.00 0.00 C ATOM 757 CG1 ILE A 52 1.834 -1.264 -4.594 1.00 0.00 C ATOM 758 CG2 ILE A 52 0.162 -2.891 -3.674 1.00 0.00 C ATOM 759 CD1 ILE A 52 2.239 -0.748 -3.231 1.00 0.00 C ATOM 0 H ILE A 52 0.245 -0.178 -6.589 1.00 0.00 H new ATOM 0 HA ILE A 52 0.820 -2.865 -6.454 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.269 -0.926 -4.383 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.498 -2.082 -4.876 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.974 -0.472 -5.330 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.415 -2.557 -2.668 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.884 -3.197 -3.703 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.795 -3.736 -3.945 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.278 -0.419 -3.261 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.600 0.091 -2.955 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.132 -1.544 -2.494 1.00 0.00 H new ATOM 771 N LYS A 53 -2.389 -2.215 -6.147 1.00 0.00 N ATOM 772 CA LYS A 53 -3.719 -2.813 -6.135 1.00 0.00 C ATOM 773 C LYS A 53 -4.157 -3.191 -7.546 1.00 0.00 C ATOM 774 O LYS A 53 -5.136 -3.915 -7.730 1.00 0.00 O ATOM 775 CB LYS A 53 -4.730 -1.844 -5.518 1.00 0.00 C ATOM 776 CG LYS A 53 -4.454 -1.524 -4.059 1.00 0.00 C ATOM 777 CD LYS A 53 -5.188 -0.270 -3.615 1.00 0.00 C ATOM 778 CE LYS A 53 -6.694 -0.484 -3.593 1.00 0.00 C ATOM 779 NZ LYS A 53 -7.436 0.806 -3.520 1.00 0.00 N ATOM 0 H LYS A 53 -2.385 -1.198 -6.226 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.678 -3.719 -5.531 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.728 -0.917 -6.091 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.729 -2.271 -5.605 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.760 -2.365 -3.437 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.382 -1.391 -3.911 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -4.846 0.020 -2.622 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.946 0.552 -4.288 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.997 -1.027 -4.488 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.960 -1.105 -2.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -8.342 0.658 -3.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.870 1.503 -2.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.615 1.159 -4.482 1.00 0.00 H new ATOM 793 N LYS A 54 -3.426 -2.698 -8.540 1.00 0.00 N ATOM 794 CA LYS A 54 -3.737 -2.987 -9.935 1.00 0.00 C ATOM 795 C LYS A 54 -3.078 -4.288 -10.382 1.00 0.00 C ATOM 796 O LYS A 54 -3.759 -5.263 -10.695 1.00 0.00 O ATOM 797 CB LYS A 54 -3.275 -1.835 -10.831 1.00 0.00 C ATOM 798 CG LYS A 54 -4.204 -0.634 -10.805 1.00 0.00 C ATOM 799 CD LYS A 54 -5.266 -0.727 -11.888 1.00 0.00 C ATOM 800 CE LYS A 54 -6.515 -1.435 -11.386 1.00 0.00 C ATOM 801 NZ LYS A 54 -6.461 -2.901 -11.640 1.00 0.00 N ATOM 0 H LYS A 54 -2.614 -2.096 -8.405 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.818 -3.099 -10.024 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.279 -1.520 -10.519 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -3.189 -2.195 -11.856 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.684 -0.565 -9.829 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.624 0.279 -10.940 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.527 0.275 -12.230 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.864 -1.263 -12.748 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.629 -1.256 -10.317 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -7.393 -1.014 -11.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.127 -3.146 -12.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.497 -3.169 -11.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.721 -3.413 -10.773 1.00 0.00 H new ATOM 815 N ASN A 55 -1.749 -4.295 -10.407 1.00 0.00 N ATOM 816 CA ASN A 55 -0.999 -5.477 -10.815 1.00 0.00 C ATOM 817 C ASN A 55 -0.623 -6.326 -9.604 1.00 0.00 C ATOM 818 O ASN A 55 -1.165 -7.414 -9.403 1.00 0.00 O ATOM 819 CB ASN A 55 0.264 -5.067 -11.576 1.00 0.00 C ATOM 820 CG ASN A 55 -0.020 -4.040 -12.655 1.00 0.00 C ATOM 821 OD1 ASN A 55 -0.295 -4.389 -13.803 1.00 0.00 O ATOM 822 ND2 ASN A 55 0.047 -2.765 -12.290 1.00 0.00 N ATOM 0 H ASN A 55 -1.170 -3.496 -10.150 1.00 0.00 H new ATOM 0 HA ASN A 55 -1.634 -6.072 -11.471 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.992 -4.661 -10.874 1.00 0.00 H new ATOM 0 HB3 ASN A 55 0.715 -5.950 -12.028 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.133 -2.029 -12.973 1.00 0.00 H new ATOM 0 HD22 ASN A 55 0.279 -2.522 -11.327 1.00 0.00 H new ATOM 829 N LEU A 56 0.308 -5.822 -8.801 1.00 0.00 N ATOM 830 CA LEU A 56 0.757 -6.534 -7.609 1.00 0.00 C ATOM 831 C LEU A 56 -0.405 -7.263 -6.941 1.00 0.00 C ATOM 832 O LEU A 56 -0.243 -8.370 -6.427 1.00 0.00 O ATOM 833 CB LEU A 56 1.399 -5.559 -6.621 1.00 0.00 C ATOM 834 CG LEU A 56 2.538 -6.120 -5.769 1.00 0.00 C ATOM 835 CD1 LEU A 56 3.748 -6.433 -6.634 1.00 0.00 C ATOM 836 CD2 LEU A 56 2.908 -5.143 -4.663 1.00 0.00 C ATOM 0 H LEU A 56 0.766 -4.924 -8.953 1.00 0.00 H new ATOM 0 HA LEU A 56 1.498 -7.273 -7.914 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.778 -4.703 -7.180 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.623 -5.185 -5.953 1.00 0.00 H new ATOM 0 HG LEU A 56 2.198 -7.047 -5.308 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.548 -6.831 -6.010 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.475 -7.171 -7.388 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.090 -5.522 -7.125 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.720 -5.559 -4.067 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.228 -4.199 -5.104 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.041 -4.970 -4.025 1.00 0.00 H new ATOM 848 N LEU A 57 -1.575 -6.635 -6.953 1.00 0.00 N ATOM 849 CA LEU A 57 -2.766 -7.225 -6.350 1.00 0.00 C ATOM 850 C LEU A 57 -3.645 -7.882 -7.409 1.00 0.00 C ATOM 851 O LEU A 57 -3.867 -7.321 -8.482 1.00 0.00 O ATOM 852 CB LEU A 57 -3.563 -6.157 -5.599 1.00 0.00 C ATOM 853 CG LEU A 57 -4.678 -6.670 -4.687 1.00 0.00 C ATOM 854 CD1 LEU A 57 -4.096 -7.448 -3.518 1.00 0.00 C ATOM 855 CD2 LEU A 57 -5.533 -5.513 -4.187 1.00 0.00 C ATOM 0 H LEU A 57 -1.725 -5.718 -7.373 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.445 -7.992 -5.646 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.869 -5.571 -4.997 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.002 -5.479 -6.330 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.313 -7.342 -5.264 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.904 -7.805 -2.880 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.528 -8.299 -3.894 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.438 -6.799 -2.940 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.321 -5.897 -3.539 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.910 -4.816 -3.626 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.980 -4.997 -5.037 1.00 0.00 H new ATOM 867 N LYS A 58 -4.144 -9.074 -7.100 1.00 0.00 N ATOM 868 CA LYS A 58 -5.002 -9.807 -8.023 1.00 0.00 C ATOM 869 C LYS A 58 -6.335 -10.155 -7.367 1.00 0.00 C ATOM 870 O LYS A 58 -7.319 -10.435 -8.051 1.00 0.00 O ATOM 871 CB LYS A 58 -4.305 -11.085 -8.495 1.00 0.00 C ATOM 872 CG LYS A 58 -3.264 -10.846 -9.575 1.00 0.00 C ATOM 873 CD LYS A 58 -3.904 -10.377 -10.871 1.00 0.00 C ATOM 874 CE LYS A 58 -2.944 -10.506 -12.045 1.00 0.00 C ATOM 875 NZ LYS A 58 -2.071 -9.307 -12.181 1.00 0.00 N ATOM 0 H LYS A 58 -3.969 -9.553 -6.217 1.00 0.00 H new ATOM 0 HA LYS A 58 -5.196 -9.168 -8.884 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.827 -11.565 -7.641 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.055 -11.780 -8.872 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.547 -10.101 -9.232 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.707 -11.766 -9.755 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.802 -10.963 -11.068 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -4.217 -9.338 -10.768 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.325 -11.393 -11.912 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -3.512 -10.648 -12.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.432 -9.433 -12.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -2.660 -8.464 -12.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.510 -9.186 -11.313 1.00 0.00 H new ATOM 889 N GLU A 59 -6.358 -10.134 -6.038 1.00 0.00 N ATOM 890 CA GLU A 59 -7.571 -10.448 -5.291 1.00 0.00 C ATOM 891 C GLU A 59 -8.398 -9.189 -5.044 1.00 0.00 C ATOM 892 O GLU A 59 -8.070 -8.111 -5.539 1.00 0.00 O ATOM 893 CB GLU A 59 -7.218 -11.109 -3.957 1.00 0.00 C ATOM 894 CG GLU A 59 -7.133 -12.624 -4.033 1.00 0.00 C ATOM 895 CD GLU A 59 -8.445 -13.262 -4.446 1.00 0.00 C ATOM 896 OE1 GLU A 59 -8.665 -13.433 -5.663 1.00 0.00 O ATOM 897 OE2 GLU A 59 -9.252 -13.592 -3.551 1.00 0.00 O ATOM 0 H GLU A 59 -5.552 -9.903 -5.457 1.00 0.00 H new ATOM 0 HA GLU A 59 -8.165 -11.142 -5.886 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -6.263 -10.717 -3.608 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -7.966 -10.832 -3.214 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.357 -12.905 -4.745 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -6.832 -13.016 -3.062 1.00 0.00 H new ATOM 904 N ARG A 60 -9.473 -9.336 -4.276 1.00 0.00 N ATOM 905 CA ARG A 60 -10.349 -8.213 -3.965 1.00 0.00 C ATOM 906 C ARG A 60 -9.636 -7.198 -3.075 1.00 0.00 C ATOM 907 O ARG A 60 -9.250 -7.491 -1.944 1.00 0.00 O ATOM 908 CB ARG A 60 -11.622 -8.707 -3.275 1.00 0.00 C ATOM 909 CG ARG A 60 -12.717 -9.124 -4.243 1.00 0.00 C ATOM 910 CD ARG A 60 -13.627 -7.956 -4.591 1.00 0.00 C ATOM 911 NE ARG A 60 -14.259 -8.125 -5.896 1.00 0.00 N ATOM 912 CZ ARG A 60 -15.186 -9.042 -6.151 1.00 0.00 C ATOM 913 NH1 ARG A 60 -15.586 -9.868 -5.194 1.00 0.00 N ATOM 914 NH2 ARG A 60 -15.715 -9.134 -7.364 1.00 0.00 N ATOM 0 H ARG A 60 -9.758 -10.222 -3.858 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.618 -7.724 -4.901 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -11.373 -9.553 -2.635 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -12.003 -7.918 -2.627 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -12.268 -9.521 -5.153 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -13.307 -9.928 -3.802 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -14.397 -7.856 -3.826 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -13.049 -7.032 -4.585 1.00 0.00 H new ATOM 0 HE ARG A 60 -13.973 -7.505 -6.654 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -15.182 -9.800 -4.260 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -16.298 -10.571 -5.392 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -15.410 -8.500 -8.103 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -16.427 -9.839 -7.558 1.00 0.00 H new ATOM 928 N PRO A 61 -9.457 -5.976 -3.598 1.00 0.00 N ATOM 929 CA PRO A 61 -8.790 -4.893 -2.868 1.00 0.00 C ATOM 930 C PRO A 61 -9.627 -4.379 -1.702 1.00 0.00 C ATOM 931 O PRO A 61 -9.117 -4.186 -0.599 1.00 0.00 O ATOM 932 CB PRO A 61 -8.623 -3.802 -3.928 1.00 0.00 C ATOM 933 CG PRO A 61 -9.706 -4.065 -4.917 1.00 0.00 C ATOM 934 CD PRO A 61 -9.892 -5.557 -4.941 1.00 0.00 C ATOM 0 HA PRO A 61 -7.851 -5.220 -2.421 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -8.719 -2.808 -3.491 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.640 -3.852 -4.395 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -10.629 -3.561 -4.628 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -9.433 -3.690 -5.903 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -10.930 -5.830 -5.130 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.292 -6.024 -5.722 1.00 0.00 H new ATOM 942 N GLU A 62 -10.914 -4.161 -1.953 1.00 0.00 N ATOM 943 CA GLU A 62 -11.821 -3.669 -0.923 1.00 0.00 C ATOM 944 C GLU A 62 -11.454 -4.243 0.443 1.00 0.00 C ATOM 945 O GLU A 62 -11.645 -3.595 1.473 1.00 0.00 O ATOM 946 CB GLU A 62 -13.267 -4.030 -1.269 1.00 0.00 C ATOM 947 CG GLU A 62 -13.645 -3.717 -2.707 1.00 0.00 C ATOM 948 CD GLU A 62 -15.114 -3.376 -2.863 1.00 0.00 C ATOM 949 OE1 GLU A 62 -15.922 -4.307 -3.063 1.00 0.00 O ATOM 950 OE2 GLU A 62 -15.455 -2.177 -2.785 1.00 0.00 O ATOM 0 H GLU A 62 -11.352 -4.317 -2.861 1.00 0.00 H new ATOM 0 HA GLU A 62 -11.727 -2.584 -0.880 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -13.421 -5.093 -1.085 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -13.937 -3.490 -0.600 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -13.042 -2.882 -3.064 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -13.406 -4.574 -3.336 1.00 0.00 H new ATOM 957 N LEU A 63 -10.928 -5.462 0.444 1.00 0.00 N ATOM 958 CA LEU A 63 -10.535 -6.125 1.682 1.00 0.00 C ATOM 959 C LEU A 63 -9.197 -5.593 2.184 1.00 0.00 C ATOM 960 O LEU A 63 -9.075 -5.174 3.336 1.00 0.00 O ATOM 961 CB LEU A 63 -10.447 -7.637 1.469 1.00 0.00 C ATOM 962 CG LEU A 63 -11.780 -8.381 1.376 1.00 0.00 C ATOM 963 CD1 LEU A 63 -12.745 -7.636 0.467 1.00 0.00 C ATOM 964 CD2 LEU A 63 -11.565 -9.802 0.878 1.00 0.00 C ATOM 0 H LEU A 63 -10.764 -6.012 -0.399 1.00 0.00 H new ATOM 0 HA LEU A 63 -11.295 -5.914 2.434 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -9.886 -7.823 0.553 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -9.871 -8.066 2.289 1.00 0.00 H new ATOM 0 HG LEU A 63 -12.217 -8.430 2.374 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -13.688 -8.180 0.413 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -12.925 -6.638 0.867 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -12.315 -7.555 -0.531 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -12.524 -10.316 0.818 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.105 -9.776 -0.110 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.911 -10.334 1.568 1.00 0.00 H new ATOM 976 N PHE A 64 -8.194 -5.609 1.311 1.00 0.00 N ATOM 977 CA PHE A 64 -6.865 -5.127 1.665 1.00 0.00 C ATOM 978 C PHE A 64 -6.843 -3.603 1.750 1.00 0.00 C ATOM 979 O PHE A 64 -6.566 -3.034 2.806 1.00 0.00 O ATOM 980 CB PHE A 64 -5.835 -5.607 0.640 1.00 0.00 C ATOM 981 CG PHE A 64 -4.414 -5.340 1.047 1.00 0.00 C ATOM 982 CD1 PHE A 64 -3.883 -5.929 2.183 1.00 0.00 C ATOM 983 CD2 PHE A 64 -3.610 -4.500 0.294 1.00 0.00 C ATOM 984 CE1 PHE A 64 -2.576 -5.684 2.560 1.00 0.00 C ATOM 985 CE2 PHE A 64 -2.302 -4.252 0.666 1.00 0.00 C ATOM 986 CZ PHE A 64 -1.784 -4.845 1.800 1.00 0.00 C ATOM 0 H PHE A 64 -8.277 -5.951 0.354 1.00 0.00 H new ATOM 0 HA PHE A 64 -6.609 -5.531 2.644 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -5.964 -6.678 0.481 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -6.029 -5.118 -0.315 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -4.497 -6.587 2.780 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -4.010 -4.033 -0.594 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -2.174 -6.148 3.448 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -1.686 -3.595 0.070 1.00 0.00 H new ATOM 0 HZ PHE A 64 -0.762 -4.654 2.092 1.00 0.00 H new ATOM 996 N ILE A 65 -7.137 -2.951 0.630 1.00 0.00 N ATOM 997 CA ILE A 65 -7.153 -1.494 0.577 1.00 0.00 C ATOM 998 C ILE A 65 -8.415 -0.982 -0.109 1.00 0.00 C ATOM 999 O ILE A 65 -8.946 -1.627 -1.012 1.00 0.00 O ATOM 1000 CB ILE A 65 -5.920 -0.945 -0.164 1.00 0.00 C ATOM 1001 CG1 ILE A 65 -4.651 -1.198 0.653 1.00 0.00 C ATOM 1002 CG2 ILE A 65 -6.089 0.541 -0.444 1.00 0.00 C ATOM 1003 CD1 ILE A 65 -3.376 -1.027 -0.142 1.00 0.00 C ATOM 0 H ILE A 65 -7.367 -3.408 -0.252 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.135 -1.140 1.608 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.825 -1.466 -1.117 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.634 -0.516 1.503 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.685 -2.210 1.057 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.209 0.915 -0.968 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.973 0.697 -1.062 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.206 1.078 0.498 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.518 -1.222 0.501 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.371 -1.728 -0.977 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.319 -0.008 -0.524 1.00 0.00 H new ATOM 1015 N GLN A 66 -8.887 0.181 0.326 1.00 0.00 N ATOM 1016 CA GLN A 66 -10.087 0.780 -0.248 1.00 0.00 C ATOM 1017 C GLN A 66 -9.829 2.226 -0.660 1.00 0.00 C ATOM 1018 O GLN A 66 -9.671 3.105 0.186 1.00 0.00 O ATOM 1019 CB GLN A 66 -11.241 0.721 0.754 1.00 0.00 C ATOM 1020 CG GLN A 66 -12.586 1.101 0.156 1.00 0.00 C ATOM 1021 CD GLN A 66 -12.879 0.365 -1.136 1.00 0.00 C ATOM 1022 OE1 GLN A 66 -13.217 -0.819 -1.127 1.00 0.00 O ATOM 1023 NE2 GLN A 66 -12.750 1.063 -2.258 1.00 0.00 N ATOM 0 H GLN A 66 -8.458 0.727 1.073 1.00 0.00 H new ATOM 0 HA GLN A 66 -10.358 0.210 -1.137 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -11.306 -0.288 1.162 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -11.022 1.388 1.588 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -13.374 0.887 0.878 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -12.607 2.175 -0.029 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -12.468 2.042 -2.220 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -12.933 0.620 -3.158 1.00 0.00 H new ATOM 1032 N GLY A 67 -9.788 2.465 -1.967 1.00 0.00 N ATOM 1033 CA GLY A 67 -9.549 3.805 -2.469 1.00 0.00 C ATOM 1034 C GLY A 67 -8.072 4.118 -2.608 1.00 0.00 C ATOM 1035 O GLY A 67 -7.222 3.314 -2.225 1.00 0.00 O ATOM 0 H GLY A 67 -9.916 1.754 -2.687 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -10.034 3.918 -3.439 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -10.009 4.529 -1.796 1.00 0.00 H new ATOM 1039 N ASP A 68 -7.766 5.287 -3.158 1.00 0.00 N ATOM 1040 CA ASP A 68 -6.381 5.704 -3.348 1.00 0.00 C ATOM 1041 C ASP A 68 -5.588 5.559 -2.052 1.00 0.00 C ATOM 1042 O ASP A 68 -4.358 5.523 -2.067 1.00 0.00 O ATOM 1043 CB ASP A 68 -6.324 7.152 -3.836 1.00 0.00 C ATOM 1044 CG ASP A 68 -7.400 8.017 -3.210 1.00 0.00 C ATOM 1045 OD1 ASP A 68 -7.174 8.533 -2.096 1.00 0.00 O ATOM 1046 OD2 ASP A 68 -8.471 8.177 -3.834 1.00 0.00 O ATOM 0 H ASP A 68 -8.458 5.963 -3.480 1.00 0.00 H new ATOM 0 HA ASP A 68 -5.933 5.057 -4.102 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.345 7.572 -3.605 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.432 7.171 -4.920 1.00 0.00 H new ATOM 1051 N SER A 69 -6.302 5.477 -0.934 1.00 0.00 N ATOM 1052 CA SER A 69 -5.665 5.341 0.371 1.00 0.00 C ATOM 1053 C SER A 69 -5.786 3.911 0.888 1.00 0.00 C ATOM 1054 O SER A 69 -6.714 3.186 0.531 1.00 0.00 O ATOM 1055 CB SER A 69 -6.292 6.312 1.372 1.00 0.00 C ATOM 1056 OG SER A 69 -5.967 5.953 2.704 1.00 0.00 O ATOM 0 H SER A 69 -7.321 5.502 -0.905 1.00 0.00 H new ATOM 0 HA SER A 69 -4.607 5.580 0.258 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.942 7.324 1.169 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.375 6.318 1.248 1.00 0.00 H new ATOM 0 HG SER A 69 -6.379 6.590 3.324 1.00 0.00 H new ATOM 1062 N VAL A 70 -4.840 3.511 1.733 1.00 0.00 N ATOM 1063 CA VAL A 70 -4.840 2.169 2.301 1.00 0.00 C ATOM 1064 C VAL A 70 -5.920 2.023 3.367 1.00 0.00 C ATOM 1065 O VAL A 70 -6.175 2.948 4.137 1.00 0.00 O ATOM 1066 CB VAL A 70 -3.473 1.822 2.920 1.00 0.00 C ATOM 1067 CG1 VAL A 70 -2.360 2.017 1.902 1.00 0.00 C ATOM 1068 CG2 VAL A 70 -3.223 2.662 4.163 1.00 0.00 C ATOM 0 H VAL A 70 -4.064 4.098 2.039 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.046 1.479 1.483 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.483 0.773 3.214 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.402 1.767 2.358 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.534 1.368 1.044 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.345 3.056 1.574 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.253 2.404 4.588 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.233 3.719 3.896 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.004 2.466 4.898 1.00 0.00 H new ATOM 1078 N ARG A 71 -6.552 0.854 3.405 1.00 0.00 N ATOM 1079 CA ARG A 71 -7.606 0.587 4.376 1.00 0.00 C ATOM 1080 C ARG A 71 -7.230 1.133 5.750 1.00 0.00 C ATOM 1081 O ARG A 71 -6.065 1.401 6.041 1.00 0.00 O ATOM 1082 CB ARG A 71 -7.875 -0.916 4.468 1.00 0.00 C ATOM 1083 CG ARG A 71 -8.893 -1.416 3.457 1.00 0.00 C ATOM 1084 CD ARG A 71 -10.307 -1.354 4.013 1.00 0.00 C ATOM 1085 NE ARG A 71 -10.422 -2.044 5.295 1.00 0.00 N ATOM 1086 CZ ARG A 71 -11.563 -2.169 5.963 1.00 0.00 C ATOM 1087 NH1 ARG A 71 -12.682 -1.654 5.472 1.00 0.00 N ATOM 1088 NH2 ARG A 71 -11.588 -2.812 7.124 1.00 0.00 N ATOM 0 H ARG A 71 -6.352 0.077 2.775 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.512 1.091 4.040 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.938 -1.454 4.323 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -8.227 -1.153 5.472 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -8.831 -0.816 2.549 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.656 -2.442 3.177 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -10.603 -0.312 4.134 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -10.998 -1.801 3.298 1.00 0.00 H new ATOM 0 HE ARG A 71 -9.579 -2.452 5.700 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -12.668 -1.161 4.579 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -13.557 -1.751 5.987 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -10.730 -3.211 7.505 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -12.465 -2.907 7.636 1.00 0.00 H new ATOM 1102 N PRO A 72 -8.241 1.304 6.616 1.00 0.00 N ATOM 1103 CA PRO A 72 -8.041 1.819 7.974 1.00 0.00 C ATOM 1104 C PRO A 72 -7.311 0.825 8.870 1.00 0.00 C ATOM 1105 O PRO A 72 -7.159 1.051 10.069 1.00 0.00 O ATOM 1106 CB PRO A 72 -9.468 2.048 8.479 1.00 0.00 C ATOM 1107 CG PRO A 72 -10.306 1.104 7.688 1.00 0.00 C ATOM 1108 CD PRO A 72 -9.655 1.006 6.336 1.00 0.00 C ATOM 0 HA PRO A 72 -7.422 2.716 7.983 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -9.547 1.847 9.547 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -9.782 3.080 8.325 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -10.354 0.127 8.170 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -11.330 1.468 7.603 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -9.778 0.014 5.902 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -10.084 1.718 5.631 1.00 0.00 H new ATOM 1116 N GLY A 73 -6.861 -0.278 8.279 1.00 0.00 N ATOM 1117 CA GLY A 73 -6.151 -1.290 9.039 1.00 0.00 C ATOM 1118 C GLY A 73 -4.719 -1.467 8.575 1.00 0.00 C ATOM 1119 O GLY A 73 -3.807 -1.598 9.391 1.00 0.00 O ATOM 0 H GLY A 73 -6.976 -0.489 7.288 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -6.156 -1.017 10.094 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -6.678 -2.240 8.953 1.00 0.00 H new ATOM 1123 N ILE A 74 -4.522 -1.474 7.261 1.00 0.00 N ATOM 1124 CA ILE A 74 -3.191 -1.637 6.690 1.00 0.00 C ATOM 1125 C ILE A 74 -2.229 -0.583 7.227 1.00 0.00 C ATOM 1126 O ILE A 74 -2.438 0.617 7.039 1.00 0.00 O ATOM 1127 CB ILE A 74 -3.223 -1.550 5.152 1.00 0.00 C ATOM 1128 CG1 ILE A 74 -4.281 -2.501 4.588 1.00 0.00 C ATOM 1129 CG2 ILE A 74 -1.853 -1.870 4.575 1.00 0.00 C ATOM 1130 CD1 ILE A 74 -4.034 -3.953 4.934 1.00 0.00 C ATOM 0 H ILE A 74 -5.267 -1.369 6.572 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.842 -2.627 6.983 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.487 -0.532 4.865 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -5.260 -2.207 4.966 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.313 -2.395 3.504 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.892 -1.804 3.488 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.122 -1.157 4.956 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.562 -2.879 4.867 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -4.822 -4.569 4.502 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.069 -4.264 4.533 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -4.032 -4.074 6.017 1.00 0.00 H new ATOM 1142 N LEU A 75 -1.174 -1.037 7.894 1.00 0.00 N ATOM 1143 CA LEU A 75 -0.178 -0.133 8.458 1.00 0.00 C ATOM 1144 C LEU A 75 1.080 -0.104 7.596 1.00 0.00 C ATOM 1145 O LEU A 75 1.867 -1.051 7.595 1.00 0.00 O ATOM 1146 CB LEU A 75 0.177 -0.558 9.884 1.00 0.00 C ATOM 1147 CG LEU A 75 -0.898 -0.314 10.944 1.00 0.00 C ATOM 1148 CD1 LEU A 75 -0.489 -0.933 12.272 1.00 0.00 C ATOM 1149 CD2 LEU A 75 -1.160 1.176 11.105 1.00 0.00 C ATOM 0 H LEU A 75 -0.986 -2.026 8.058 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.605 0.870 8.480 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.416 -1.621 9.876 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.082 -0.030 10.185 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.821 -0.791 10.614 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.266 -0.749 13.014 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.354 -2.007 12.146 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.447 -0.487 12.609 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.928 1.331 11.863 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.241 1.676 11.412 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.499 1.590 10.156 1.00 0.00 H new ATOM 1161 N VAL A 76 1.265 0.990 6.865 1.00 0.00 N ATOM 1162 CA VAL A 76 2.430 1.144 6.001 1.00 0.00 C ATOM 1163 C VAL A 76 3.575 1.829 6.739 1.00 0.00 C ATOM 1164 O VAL A 76 3.357 2.546 7.717 1.00 0.00 O ATOM 1165 CB VAL A 76 2.088 1.958 4.739 1.00 0.00 C ATOM 1166 CG1 VAL A 76 0.844 1.401 4.065 1.00 0.00 C ATOM 1167 CG2 VAL A 76 1.905 3.428 5.086 1.00 0.00 C ATOM 0 H VAL A 76 0.623 1.783 6.853 1.00 0.00 H new ATOM 0 HA VAL A 76 2.740 0.142 5.706 1.00 0.00 H new ATOM 0 HB VAL A 76 2.919 1.875 4.038 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.618 1.989 3.175 1.00 0.00 H new ATOM 0 HG12 VAL A 76 1.018 0.364 3.780 1.00 0.00 H new ATOM 0 HG13 VAL A 76 0.003 1.451 4.756 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.664 3.988 4.182 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.093 3.534 5.806 1.00 0.00 H new ATOM 0 HG23 VAL A 76 2.827 3.817 5.519 1.00 0.00 H new ATOM 1177 N LEU A 77 4.795 1.604 6.265 1.00 0.00 N ATOM 1178 CA LEU A 77 5.977 2.199 6.880 1.00 0.00 C ATOM 1179 C LEU A 77 7.053 2.475 5.835 1.00 0.00 C ATOM 1180 O LEU A 77 7.515 1.562 5.149 1.00 0.00 O ATOM 1181 CB LEU A 77 6.530 1.277 7.968 1.00 0.00 C ATOM 1182 CG LEU A 77 5.973 1.491 9.376 1.00 0.00 C ATOM 1183 CD1 LEU A 77 5.989 0.188 10.160 1.00 0.00 C ATOM 1184 CD2 LEU A 77 6.765 2.565 10.105 1.00 0.00 C ATOM 0 H LEU A 77 4.992 1.014 5.457 1.00 0.00 H new ATOM 0 HA LEU A 77 5.683 3.147 7.332 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.336 0.245 7.675 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.612 1.400 8.005 1.00 0.00 H new ATOM 0 HG LEU A 77 4.939 1.826 9.290 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.589 0.360 11.159 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.377 -0.553 9.647 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.013 -0.178 10.237 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.355 2.704 11.105 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.809 2.260 10.180 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.700 3.503 9.553 1.00 0.00 H new ATOM 1196 N ILE A 78 7.451 3.738 5.721 1.00 0.00 N ATOM 1197 CA ILE A 78 8.475 4.132 4.763 1.00 0.00 C ATOM 1198 C ILE A 78 9.867 4.053 5.382 1.00 0.00 C ATOM 1199 O ILE A 78 10.152 4.714 6.379 1.00 0.00 O ATOM 1200 CB ILE A 78 8.238 5.562 4.242 1.00 0.00 C ATOM 1201 CG1 ILE A 78 6.902 5.644 3.502 1.00 0.00 C ATOM 1202 CG2 ILE A 78 9.380 5.990 3.332 1.00 0.00 C ATOM 1203 CD1 ILE A 78 6.311 7.036 3.474 1.00 0.00 C ATOM 0 H ILE A 78 7.079 4.505 6.281 1.00 0.00 H new ATOM 0 HA ILE A 78 8.411 3.434 3.928 1.00 0.00 H new ATOM 0 HB ILE A 78 8.203 6.242 5.093 1.00 0.00 H new ATOM 0 HG12 ILE A 78 7.041 5.296 2.478 1.00 0.00 H new ATOM 0 HG13 ILE A 78 6.192 4.966 3.975 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.198 7.003 2.972 1.00 0.00 H new ATOM 0 HG22 ILE A 78 10.317 5.965 3.888 1.00 0.00 H new ATOM 0 HG23 ILE A 78 9.444 5.309 2.483 1.00 0.00 H new ATOM 0 HD11 ILE A 78 5.365 7.019 2.933 1.00 0.00 H new ATOM 0 HD12 ILE A 78 6.140 7.379 4.494 1.00 0.00 H new ATOM 0 HD13 ILE A 78 7.002 7.715 2.974 1.00 0.00 H new ATOM 1215 N ASN A 79 10.730 3.240 4.782 1.00 0.00 N ATOM 1216 CA ASN A 79 12.093 3.075 5.274 1.00 0.00 C ATOM 1217 C ASN A 79 12.127 3.091 6.799 1.00 0.00 C ATOM 1218 O ASN A 79 13.022 3.680 7.404 1.00 0.00 O ATOM 1219 CB ASN A 79 12.994 4.180 4.721 1.00 0.00 C ATOM 1220 CG ASN A 79 13.539 3.848 3.345 1.00 0.00 C ATOM 1221 OD1 ASN A 79 14.682 3.413 3.206 1.00 0.00 O ATOM 1222 ND2 ASN A 79 12.721 4.054 2.319 1.00 0.00 N ATOM 0 H ASN A 79 10.510 2.685 3.955 1.00 0.00 H new ATOM 0 HA ASN A 79 12.462 2.109 4.931 1.00 0.00 H new ATOM 0 HB2 ASN A 79 12.432 5.112 4.671 1.00 0.00 H new ATOM 0 HB3 ASN A 79 13.824 4.345 5.407 1.00 0.00 H new ATOM 0 HD21 ASN A 79 13.033 3.850 1.369 1.00 0.00 H new ATOM 0 HD22 ASN A 79 11.781 4.416 2.481 1.00 0.00 H new ATOM 1229 N ASP A 80 11.146 2.439 7.414 1.00 0.00 N ATOM 1230 CA ASP A 80 11.064 2.377 8.868 1.00 0.00 C ATOM 1231 C ASP A 80 10.657 3.728 9.448 1.00 0.00 C ATOM 1232 O ASP A 80 11.319 4.255 10.342 1.00 0.00 O ATOM 1233 CB ASP A 80 12.405 1.937 9.458 1.00 0.00 C ATOM 1234 CG ASP A 80 12.256 1.310 10.830 1.00 0.00 C ATOM 1235 OD1 ASP A 80 11.557 0.280 10.939 1.00 0.00 O ATOM 1236 OD2 ASP A 80 12.840 1.847 11.794 1.00 0.00 O ATOM 0 H ASP A 80 10.397 1.946 6.928 1.00 0.00 H new ATOM 0 HA ASP A 80 10.302 1.644 9.133 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.878 1.222 8.785 1.00 0.00 H new ATOM 0 HB3 ASP A 80 13.069 2.799 9.526 1.00 0.00 H new ATOM 1241 N ALA A 81 9.566 4.284 8.932 1.00 0.00 N ATOM 1242 CA ALA A 81 9.071 5.573 9.399 1.00 0.00 C ATOM 1243 C ALA A 81 7.601 5.760 9.039 1.00 0.00 C ATOM 1244 O ALA A 81 7.258 5.950 7.872 1.00 0.00 O ATOM 1245 CB ALA A 81 9.907 6.702 8.816 1.00 0.00 C ATOM 0 H ALA A 81 9.008 3.862 8.190 1.00 0.00 H new ATOM 0 HA ALA A 81 9.157 5.595 10.485 1.00 0.00 H new ATOM 0 HB1 ALA A 81 9.526 7.659 9.173 1.00 0.00 H new ATOM 0 HB2 ALA A 81 10.945 6.585 9.128 1.00 0.00 H new ATOM 0 HB3 ALA A 81 9.850 6.672 7.728 1.00 0.00 H new ATOM 1251 N ASP A 82 6.738 5.704 10.047 1.00 0.00 N ATOM 1252 CA ASP A 82 5.304 5.868 9.836 1.00 0.00 C ATOM 1253 C ASP A 82 5.029 6.906 8.752 1.00 0.00 C ATOM 1254 O ASP A 82 5.398 8.072 8.888 1.00 0.00 O ATOM 1255 CB ASP A 82 4.619 6.281 11.139 1.00 0.00 C ATOM 1256 CG ASP A 82 4.152 5.088 11.951 1.00 0.00 C ATOM 1257 OD1 ASP A 82 3.841 4.043 11.343 1.00 0.00 O ATOM 1258 OD2 ASP A 82 4.098 5.200 13.193 1.00 0.00 O ATOM 0 H ASP A 82 7.006 5.546 11.018 1.00 0.00 H new ATOM 0 HA ASP A 82 4.899 4.911 9.509 1.00 0.00 H new ATOM 0 HB2 ASP A 82 5.310 6.876 11.737 1.00 0.00 H new ATOM 0 HB3 ASP A 82 3.765 6.918 10.911 1.00 0.00 H new ATOM 1263 N TRP A 83 4.381 6.473 7.676 1.00 0.00 N ATOM 1264 CA TRP A 83 4.058 7.365 6.568 1.00 0.00 C ATOM 1265 C TRP A 83 3.199 8.532 7.042 1.00 0.00 C ATOM 1266 O TRP A 83 3.080 9.545 6.353 1.00 0.00 O ATOM 1267 CB TRP A 83 3.332 6.596 5.463 1.00 0.00 C ATOM 1268 CG TRP A 83 1.939 6.190 5.839 1.00 0.00 C ATOM 1269 CD1 TRP A 83 1.510 5.774 7.067 1.00 0.00 C ATOM 1270 CD2 TRP A 83 0.795 6.159 4.979 1.00 0.00 C ATOM 1271 NE1 TRP A 83 0.167 5.487 7.023 1.00 0.00 N ATOM 1272 CE2 TRP A 83 -0.296 5.716 5.754 1.00 0.00 C ATOM 1273 CE3 TRP A 83 0.584 6.465 3.632 1.00 0.00 C ATOM 1274 CZ2 TRP A 83 -1.575 5.570 5.223 1.00 0.00 C ATOM 1275 CZ3 TRP A 83 -0.686 6.320 3.107 1.00 0.00 C ATOM 1276 CH2 TRP A 83 -1.752 5.877 3.901 1.00 0.00 C ATOM 0 H TRP A 83 4.069 5.510 7.547 1.00 0.00 H new ATOM 0 HA TRP A 83 4.991 7.764 6.170 1.00 0.00 H new ATOM 0 HB2 TRP A 83 3.293 7.214 4.566 1.00 0.00 H new ATOM 0 HB3 TRP A 83 3.907 5.705 5.212 1.00 0.00 H new ATOM 0 HD1 TRP A 83 2.134 5.684 7.944 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -0.394 5.157 7.808 1.00 0.00 H new ATOM 0 HE3 TRP A 83 1.399 6.809 3.012 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -2.398 5.227 5.833 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -0.860 6.552 2.067 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -2.733 5.776 3.461 1.00 0.00 H new ATOM 1287 N GLU A 84 2.604 8.383 8.221 1.00 0.00 N ATOM 1288 CA GLU A 84 1.755 9.427 8.784 1.00 0.00 C ATOM 1289 C GLU A 84 2.570 10.677 9.105 1.00 0.00 C ATOM 1290 O GLU A 84 2.143 11.798 8.828 1.00 0.00 O ATOM 1291 CB GLU A 84 1.058 8.921 10.049 1.00 0.00 C ATOM 1292 CG GLU A 84 0.158 7.720 9.809 1.00 0.00 C ATOM 1293 CD GLU A 84 -0.940 7.598 10.847 1.00 0.00 C ATOM 1294 OE1 GLU A 84 -1.542 8.633 11.200 1.00 0.00 O ATOM 1295 OE2 GLU A 84 -1.198 6.465 11.306 1.00 0.00 O ATOM 0 H GLU A 84 2.694 7.551 8.804 1.00 0.00 H new ATOM 0 HA GLU A 84 1.001 9.687 8.041 1.00 0.00 H new ATOM 0 HB2 GLU A 84 1.813 8.656 10.789 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.464 9.730 10.475 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.290 7.799 8.819 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.761 6.812 9.815 1.00 0.00 H new ATOM 1302 N LEU A 85 3.745 10.475 9.691 1.00 0.00 N ATOM 1303 CA LEU A 85 4.621 11.585 10.051 1.00 0.00 C ATOM 1304 C LEU A 85 5.250 12.207 8.808 1.00 0.00 C ATOM 1305 O LEU A 85 5.489 13.414 8.758 1.00 0.00 O ATOM 1306 CB LEU A 85 5.716 11.107 11.006 1.00 0.00 C ATOM 1307 CG LEU A 85 5.263 10.752 12.423 1.00 0.00 C ATOM 1308 CD1 LEU A 85 4.054 11.584 12.821 1.00 0.00 C ATOM 1309 CD2 LEU A 85 4.947 9.267 12.525 1.00 0.00 C ATOM 0 H LEU A 85 4.113 9.553 9.927 1.00 0.00 H new ATOM 0 HA LEU A 85 4.019 12.344 10.550 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.194 10.231 10.569 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.476 11.885 11.073 1.00 0.00 H new ATOM 0 HG LEU A 85 6.077 10.979 13.112 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.746 11.318 13.832 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.314 12.642 12.788 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.235 11.389 12.129 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.626 9.032 13.540 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.150 9.016 11.825 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.838 8.688 12.283 1.00 0.00 H new ATOM 1321 N LEU A 86 5.515 11.376 7.807 1.00 0.00 N ATOM 1322 CA LEU A 86 6.115 11.844 6.562 1.00 0.00 C ATOM 1323 C LEU A 86 5.058 12.449 5.643 1.00 0.00 C ATOM 1324 O LEU A 86 5.042 13.657 5.409 1.00 0.00 O ATOM 1325 CB LEU A 86 6.827 10.692 5.851 1.00 0.00 C ATOM 1326 CG LEU A 86 7.764 9.847 6.714 1.00 0.00 C ATOM 1327 CD1 LEU A 86 7.956 8.468 6.102 1.00 0.00 C ATOM 1328 CD2 LEU A 86 9.104 10.546 6.889 1.00 0.00 C ATOM 0 H LEU A 86 5.324 10.374 7.832 1.00 0.00 H new ATOM 0 HA LEU A 86 6.844 12.617 6.806 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.071 10.035 5.420 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.402 11.104 5.021 1.00 0.00 H new ATOM 0 HG LEU A 86 7.309 9.725 7.697 1.00 0.00 H new ATOM 0 HD11 LEU A 86 8.626 7.881 6.730 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.992 7.964 6.030 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.388 8.569 5.106 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.758 9.930 7.506 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.565 10.699 5.913 1.00 0.00 H new ATOM 0 HD23 LEU A 86 8.951 11.510 7.373 1.00 0.00 H new ATOM 1340 N GLY A 87 4.175 11.600 5.125 1.00 0.00 N ATOM 1341 CA GLY A 87 3.126 12.070 4.239 1.00 0.00 C ATOM 1342 C GLY A 87 2.236 10.946 3.747 1.00 0.00 C ATOM 1343 O GLY A 87 2.487 10.364 2.692 1.00 0.00 O ATOM 0 H GLY A 87 4.168 10.596 5.303 1.00 0.00 H new ATOM 0 HA2 GLY A 87 2.518 12.809 4.761 1.00 0.00 H new ATOM 0 HA3 GLY A 87 3.576 12.574 3.384 1.00 0.00 H new ATOM 1347 N GLU A 88 1.195 10.639 4.514 1.00 0.00 N ATOM 1348 CA GLU A 88 0.266 9.575 4.151 1.00 0.00 C ATOM 1349 C GLU A 88 0.097 9.495 2.636 1.00 0.00 C ATOM 1350 O GLU A 88 0.644 8.603 1.985 1.00 0.00 O ATOM 1351 CB GLU A 88 -1.092 9.804 4.816 1.00 0.00 C ATOM 1352 CG GLU A 88 -1.035 9.802 6.334 1.00 0.00 C ATOM 1353 CD GLU A 88 -0.612 11.143 6.903 1.00 0.00 C ATOM 1354 OE1 GLU A 88 -0.333 12.063 6.106 1.00 0.00 O ATOM 1355 OE2 GLU A 88 -0.561 11.272 8.143 1.00 0.00 O ATOM 0 H GLU A 88 0.974 11.112 5.390 1.00 0.00 H new ATOM 0 HA GLU A 88 0.679 8.630 4.504 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.497 10.758 4.477 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -1.784 9.029 4.486 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -2.015 9.536 6.730 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.337 9.034 6.667 1.00 0.00 H new ATOM 1362 N LEU A 89 -0.665 10.431 2.082 1.00 0.00 N ATOM 1363 CA LEU A 89 -0.908 10.468 0.644 1.00 0.00 C ATOM 1364 C LEU A 89 -0.225 11.674 0.007 1.00 0.00 C ATOM 1365 O LEU A 89 -0.694 12.205 -1.000 1.00 0.00 O ATOM 1366 CB LEU A 89 -2.411 10.510 0.362 1.00 0.00 C ATOM 1367 CG LEU A 89 -3.232 9.349 0.923 1.00 0.00 C ATOM 1368 CD1 LEU A 89 -4.712 9.700 0.939 1.00 0.00 C ATOM 1369 CD2 LEU A 89 -2.991 8.084 0.112 1.00 0.00 C ATOM 0 H LEU A 89 -1.125 11.175 2.607 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.488 9.563 0.206 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.810 11.440 0.767 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.557 10.544 -0.718 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.912 9.166 1.949 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -5.280 8.862 1.341 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -4.871 10.579 1.564 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.047 9.911 -0.077 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.584 7.268 0.526 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.283 8.255 -0.924 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.934 7.822 0.153 1.00 0.00 H new ATOM 1381 N ASP A 90 0.885 12.099 0.598 1.00 0.00 N ATOM 1382 CA ASP A 90 1.635 13.241 0.087 1.00 0.00 C ATOM 1383 C ASP A 90 3.068 12.841 -0.254 1.00 0.00 C ATOM 1384 O ASP A 90 3.689 13.420 -1.145 1.00 0.00 O ATOM 1385 CB ASP A 90 1.639 14.376 1.111 1.00 0.00 C ATOM 1386 CG ASP A 90 2.459 15.566 0.653 1.00 0.00 C ATOM 1387 OD1 ASP A 90 1.895 16.449 -0.026 1.00 0.00 O ATOM 1388 OD2 ASP A 90 3.665 15.615 0.974 1.00 0.00 O ATOM 0 H ASP A 90 1.286 11.670 1.432 1.00 0.00 H new ATOM 0 HA ASP A 90 1.146 13.587 -0.824 1.00 0.00 H new ATOM 0 HB2 ASP A 90 0.614 14.695 1.299 1.00 0.00 H new ATOM 0 HB3 ASP A 90 2.036 14.007 2.057 1.00 0.00 H new ATOM 1393 N TYR A 91 3.586 11.850 0.463 1.00 0.00 N ATOM 1394 CA TYR A 91 4.946 11.375 0.239 1.00 0.00 C ATOM 1395 C TYR A 91 5.149 10.970 -1.218 1.00 0.00 C ATOM 1396 O TYR A 91 4.484 10.064 -1.719 1.00 0.00 O ATOM 1397 CB TYR A 91 5.253 10.191 1.157 1.00 0.00 C ATOM 1398 CG TYR A 91 6.720 9.826 1.205 1.00 0.00 C ATOM 1399 CD1 TYR A 91 7.377 9.363 0.071 1.00 0.00 C ATOM 1400 CD2 TYR A 91 7.447 9.942 2.383 1.00 0.00 C ATOM 1401 CE1 TYR A 91 8.717 9.028 0.110 1.00 0.00 C ATOM 1402 CE2 TYR A 91 8.787 9.610 2.430 1.00 0.00 C ATOM 1403 CZ TYR A 91 9.418 9.153 1.291 1.00 0.00 C ATOM 1404 OH TYR A 91 10.752 8.820 1.335 1.00 0.00 O ATOM 0 H TYR A 91 3.085 11.360 1.204 1.00 0.00 H new ATOM 0 HA TYR A 91 5.631 12.191 0.469 1.00 0.00 H new ATOM 0 HB2 TYR A 91 4.913 10.426 2.165 1.00 0.00 H new ATOM 0 HB3 TYR A 91 4.682 9.325 0.822 1.00 0.00 H new ATOM 0 HD1 TYR A 91 6.831 9.263 -0.856 1.00 0.00 H new ATOM 0 HD2 TYR A 91 6.956 10.298 3.277 1.00 0.00 H new ATOM 0 HE1 TYR A 91 9.213 8.670 -0.780 1.00 0.00 H new ATOM 0 HE2 TYR A 91 9.338 9.708 3.354 1.00 0.00 H new ATOM 0 HH TYR A 91 11.096 8.967 2.241 1.00 0.00 H new ATOM 1414 N GLN A 92 6.074 11.647 -1.890 1.00 0.00 N ATOM 1415 CA GLN A 92 6.366 11.358 -3.289 1.00 0.00 C ATOM 1416 C GLN A 92 7.648 10.543 -3.421 1.00 0.00 C ATOM 1417 O GLN A 92 8.750 11.094 -3.416 1.00 0.00 O ATOM 1418 CB GLN A 92 6.490 12.658 -4.085 1.00 0.00 C ATOM 1419 CG GLN A 92 5.261 13.548 -3.992 1.00 0.00 C ATOM 1420 CD GLN A 92 5.250 14.640 -5.043 1.00 0.00 C ATOM 1421 OE1 GLN A 92 4.506 14.568 -6.022 1.00 0.00 O ATOM 1422 NE2 GLN A 92 6.077 15.660 -4.846 1.00 0.00 N ATOM 0 H GLN A 92 6.634 12.399 -1.489 1.00 0.00 H new ATOM 0 HA GLN A 92 5.541 10.771 -3.692 1.00 0.00 H new ATOM 0 HB2 GLN A 92 7.358 13.212 -3.727 1.00 0.00 H new ATOM 0 HB3 GLN A 92 6.676 12.417 -5.132 1.00 0.00 H new ATOM 0 HG2 GLN A 92 4.365 12.936 -4.100 1.00 0.00 H new ATOM 0 HG3 GLN A 92 5.220 14.002 -3.002 1.00 0.00 H new ATOM 0 HE21 GLN A 92 6.676 15.679 -4.021 1.00 0.00 H new ATOM 0 HE22 GLN A 92 6.113 16.425 -5.520 1.00 0.00 H new ATOM 1431 N LEU A 93 7.498 9.228 -3.539 1.00 0.00 N ATOM 1432 CA LEU A 93 8.645 8.336 -3.671 1.00 0.00 C ATOM 1433 C LEU A 93 9.528 8.755 -4.842 1.00 0.00 C ATOM 1434 O LEU A 93 9.039 9.277 -5.844 1.00 0.00 O ATOM 1435 CB LEU A 93 8.174 6.894 -3.864 1.00 0.00 C ATOM 1436 CG LEU A 93 7.283 6.326 -2.758 1.00 0.00 C ATOM 1437 CD1 LEU A 93 6.957 4.866 -3.033 1.00 0.00 C ATOM 1438 CD2 LEU A 93 7.955 6.477 -1.401 1.00 0.00 C ATOM 0 H LEU A 93 6.594 8.756 -3.546 1.00 0.00 H new ATOM 0 HA LEU A 93 9.232 8.401 -2.755 1.00 0.00 H new ATOM 0 HB2 LEU A 93 7.632 6.833 -4.807 1.00 0.00 H new ATOM 0 HB3 LEU A 93 9.052 6.256 -3.960 1.00 0.00 H new ATOM 0 HG LEU A 93 6.350 6.890 -2.744 1.00 0.00 H new ATOM 0 HD11 LEU A 93 6.322 4.479 -2.236 1.00 0.00 H new ATOM 0 HD12 LEU A 93 6.434 4.783 -3.986 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.881 4.289 -3.075 1.00 0.00 H new ATOM 0 HD21 LEU A 93 7.307 6.068 -0.626 1.00 0.00 H new ATOM 0 HD22 LEU A 93 8.903 5.939 -1.403 1.00 0.00 H new ATOM 0 HD23 LEU A 93 8.137 7.533 -1.201 1.00 0.00 H new ATOM 1450 N GLN A 94 10.830 8.522 -4.709 1.00 0.00 N ATOM 1451 CA GLN A 94 11.780 8.874 -5.757 1.00 0.00 C ATOM 1452 C GLN A 94 12.397 7.624 -6.375 1.00 0.00 C ATOM 1453 O GLN A 94 12.198 7.341 -7.557 1.00 0.00 O ATOM 1454 CB GLN A 94 12.881 9.775 -5.195 1.00 0.00 C ATOM 1455 CG GLN A 94 12.361 11.082 -4.617 1.00 0.00 C ATOM 1456 CD GLN A 94 12.222 12.169 -5.664 1.00 0.00 C ATOM 1457 OE1 GLN A 94 11.756 11.919 -6.777 1.00 0.00 O ATOM 1458 NE2 GLN A 94 12.626 13.384 -5.314 1.00 0.00 N ATOM 0 H GLN A 94 11.251 8.091 -3.886 1.00 0.00 H new ATOM 0 HA GLN A 94 11.240 9.413 -6.535 1.00 0.00 H new ATOM 0 HB2 GLN A 94 13.421 9.233 -4.419 1.00 0.00 H new ATOM 0 HB3 GLN A 94 13.597 9.997 -5.986 1.00 0.00 H new ATOM 0 HG2 GLN A 94 11.392 10.908 -4.149 1.00 0.00 H new ATOM 0 HG3 GLN A 94 13.037 11.423 -3.833 1.00 0.00 H new ATOM 0 HE21 GLN A 94 13.006 13.546 -4.381 1.00 0.00 H new ATOM 0 HE22 GLN A 94 12.557 14.155 -5.978 1.00 0.00 H new ATOM 1467 N ASP A 95 13.146 6.879 -5.569 1.00 0.00 N ATOM 1468 CA ASP A 95 13.791 5.658 -6.037 1.00 0.00 C ATOM 1469 C ASP A 95 14.439 4.907 -4.877 1.00 0.00 C ATOM 1470 O ASP A 95 14.457 5.392 -3.746 1.00 0.00 O ATOM 1471 CB ASP A 95 14.842 5.986 -7.098 1.00 0.00 C ATOM 1472 CG ASP A 95 16.042 6.711 -6.521 1.00 0.00 C ATOM 1473 OD1 ASP A 95 15.887 7.374 -5.475 1.00 0.00 O ATOM 1474 OD2 ASP A 95 17.136 6.615 -7.116 1.00 0.00 O ATOM 0 H ASP A 95 13.321 7.099 -4.589 1.00 0.00 H new ATOM 0 HA ASP A 95 13.027 5.019 -6.479 1.00 0.00 H new ATOM 0 HB2 ASP A 95 15.173 5.063 -7.574 1.00 0.00 H new ATOM 0 HB3 ASP A 95 14.389 6.601 -7.876 1.00 0.00 H new ATOM 1479 N GLN A 96 14.968 3.723 -5.167 1.00 0.00 N ATOM 1480 CA GLN A 96 15.614 2.905 -4.147 1.00 0.00 C ATOM 1481 C GLN A 96 14.904 3.047 -2.805 1.00 0.00 C ATOM 1482 O GLN A 96 15.529 2.954 -1.748 1.00 0.00 O ATOM 1483 CB GLN A 96 17.085 3.301 -4.003 1.00 0.00 C ATOM 1484 CG GLN A 96 17.911 3.039 -5.253 1.00 0.00 C ATOM 1485 CD GLN A 96 17.824 1.599 -5.718 1.00 0.00 C ATOM 1486 OE1 GLN A 96 18.050 0.669 -4.943 1.00 0.00 O ATOM 1487 NE2 GLN A 96 17.496 1.406 -6.990 1.00 0.00 N ATOM 0 H GLN A 96 14.962 3.309 -6.099 1.00 0.00 H new ATOM 0 HA GLN A 96 15.554 1.863 -4.461 1.00 0.00 H new ATOM 0 HB2 GLN A 96 17.145 4.360 -3.754 1.00 0.00 H new ATOM 0 HB3 GLN A 96 17.520 2.752 -3.168 1.00 0.00 H new ATOM 0 HG2 GLN A 96 17.571 3.696 -6.053 1.00 0.00 H new ATOM 0 HG3 GLN A 96 18.953 3.291 -5.055 1.00 0.00 H new ATOM 0 HE21 GLN A 96 17.317 2.206 -7.598 1.00 0.00 H new ATOM 0 HE22 GLN A 96 17.423 0.458 -7.360 1.00 0.00 H new ATOM 1496 N ASP A 97 13.596 3.271 -2.855 1.00 0.00 N ATOM 1497 CA ASP A 97 12.800 3.424 -1.643 1.00 0.00 C ATOM 1498 C ASP A 97 12.031 2.143 -1.331 1.00 0.00 C ATOM 1499 O ASP A 97 11.333 1.603 -2.189 1.00 0.00 O ATOM 1500 CB ASP A 97 11.826 4.594 -1.791 1.00 0.00 C ATOM 1501 CG ASP A 97 12.487 5.934 -1.533 1.00 0.00 C ATOM 1502 OD1 ASP A 97 13.412 5.987 -0.695 1.00 0.00 O ATOM 1503 OD2 ASP A 97 12.079 6.929 -2.167 1.00 0.00 O ATOM 0 H ASP A 97 13.064 3.351 -3.722 1.00 0.00 H new ATOM 0 HA ASP A 97 13.480 3.629 -0.816 1.00 0.00 H new ATOM 0 HB2 ASP A 97 11.405 4.587 -2.796 1.00 0.00 H new ATOM 0 HB3 ASP A 97 10.996 4.462 -1.097 1.00 0.00 H new ATOM 1508 N SER A 98 12.166 1.663 -0.099 1.00 0.00 N ATOM 1509 CA SER A 98 11.489 0.443 0.324 1.00 0.00 C ATOM 1510 C SER A 98 10.231 0.769 1.122 1.00 0.00 C ATOM 1511 O SER A 98 10.291 1.456 2.142 1.00 0.00 O ATOM 1512 CB SER A 98 12.430 -0.423 1.164 1.00 0.00 C ATOM 1513 OG SER A 98 11.871 -1.703 1.399 1.00 0.00 O ATOM 0 H SER A 98 12.738 2.100 0.624 1.00 0.00 H new ATOM 0 HA SER A 98 11.198 -0.110 -0.569 1.00 0.00 H new ATOM 0 HB2 SER A 98 13.386 -0.529 0.652 1.00 0.00 H new ATOM 0 HB3 SER A 98 12.631 0.070 2.115 1.00 0.00 H new ATOM 0 HG SER A 98 11.203 -1.900 0.710 1.00 0.00 H new ATOM 1519 N ILE A 99 9.093 0.271 0.650 1.00 0.00 N ATOM 1520 CA ILE A 99 7.820 0.509 1.320 1.00 0.00 C ATOM 1521 C ILE A 99 7.327 -0.750 2.025 1.00 0.00 C ATOM 1522 O ILE A 99 7.298 -1.833 1.438 1.00 0.00 O ATOM 1523 CB ILE A 99 6.742 0.984 0.328 1.00 0.00 C ATOM 1524 CG1 ILE A 99 7.355 1.918 -0.717 1.00 0.00 C ATOM 1525 CG2 ILE A 99 5.610 1.680 1.069 1.00 0.00 C ATOM 1526 CD1 ILE A 99 7.961 3.171 -0.126 1.00 0.00 C ATOM 0 H ILE A 99 9.026 -0.299 -0.193 1.00 0.00 H new ATOM 0 HA ILE A 99 7.993 1.292 2.058 1.00 0.00 H new ATOM 0 HB ILE A 99 6.333 0.114 -0.185 1.00 0.00 H new ATOM 0 HG12 ILE A 99 8.124 1.378 -1.269 1.00 0.00 H new ATOM 0 HG13 ILE A 99 6.586 2.200 -1.436 1.00 0.00 H new ATOM 0 HG21 ILE A 99 4.856 2.010 0.354 1.00 0.00 H new ATOM 0 HG22 ILE A 99 5.159 0.986 1.778 1.00 0.00 H new ATOM 0 HG23 ILE A 99 6.003 2.543 1.606 1.00 0.00 H new ATOM 0 HD11 ILE A 99 8.377 3.786 -0.924 1.00 0.00 H new ATOM 0 HD12 ILE A 99 7.191 3.734 0.402 1.00 0.00 H new ATOM 0 HD13 ILE A 99 8.753 2.898 0.571 1.00 0.00 H new ATOM 1538 N LEU A 100 6.937 -0.602 3.286 1.00 0.00 N ATOM 1539 CA LEU A 100 6.442 -1.726 4.072 1.00 0.00 C ATOM 1540 C LEU A 100 4.930 -1.643 4.250 1.00 0.00 C ATOM 1541 O LEU A 100 4.371 -0.556 4.400 1.00 0.00 O ATOM 1542 CB LEU A 100 7.127 -1.759 5.439 1.00 0.00 C ATOM 1543 CG LEU A 100 6.679 -2.872 6.388 1.00 0.00 C ATOM 1544 CD1 LEU A 100 7.088 -4.233 5.846 1.00 0.00 C ATOM 1545 CD2 LEU A 100 7.259 -2.653 7.778 1.00 0.00 C ATOM 0 H LEU A 100 6.954 0.287 3.786 1.00 0.00 H new ATOM 0 HA LEU A 100 6.675 -2.644 3.533 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.202 -1.853 5.282 1.00 0.00 H new ATOM 0 HB3 LEU A 100 6.959 -0.801 5.930 1.00 0.00 H new ATOM 0 HG LEU A 100 5.592 -2.845 6.461 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.761 -5.012 6.535 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.624 -4.391 4.872 1.00 0.00 H new ATOM 0 HD13 LEU A 100 8.172 -4.272 5.742 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.930 -3.454 8.440 1.00 0.00 H new ATOM 0 HD22 LEU A 100 8.348 -2.653 7.722 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.915 -1.695 8.169 1.00 0.00 H new ATOM 1557 N PHE A 101 4.273 -2.798 4.235 1.00 0.00 N ATOM 1558 CA PHE A 101 2.825 -2.855 4.396 1.00 0.00 C ATOM 1559 C PHE A 101 2.428 -3.976 5.353 1.00 0.00 C ATOM 1560 O PHE A 101 2.523 -5.156 5.017 1.00 0.00 O ATOM 1561 CB PHE A 101 2.147 -3.064 3.040 1.00 0.00 C ATOM 1562 CG PHE A 101 2.324 -1.908 2.098 1.00 0.00 C ATOM 1563 CD1 PHE A 101 3.454 -1.812 1.303 1.00 0.00 C ATOM 1564 CD2 PHE A 101 1.359 -0.918 2.006 1.00 0.00 C ATOM 1565 CE1 PHE A 101 3.620 -0.749 0.435 1.00 0.00 C ATOM 1566 CE2 PHE A 101 1.518 0.148 1.140 1.00 0.00 C ATOM 1567 CZ PHE A 101 2.650 0.232 0.353 1.00 0.00 C ATOM 0 H PHE A 101 4.720 -3.707 4.113 1.00 0.00 H new ATOM 0 HA PHE A 101 2.494 -1.906 4.818 1.00 0.00 H new ATOM 0 HB2 PHE A 101 2.549 -3.965 2.577 1.00 0.00 H new ATOM 0 HB3 PHE A 101 1.082 -3.234 3.197 1.00 0.00 H new ATOM 0 HD1 PHE A 101 4.214 -2.577 1.362 1.00 0.00 H new ATOM 0 HD2 PHE A 101 0.472 -0.980 2.618 1.00 0.00 H new ATOM 0 HE1 PHE A 101 4.507 -0.685 -0.178 1.00 0.00 H new ATOM 0 HE2 PHE A 101 0.759 0.913 1.079 1.00 0.00 H new ATOM 0 HZ PHE A 101 2.777 1.063 -0.325 1.00 0.00 H new ATOM 1577 N ILE A 102 1.984 -3.597 6.547 1.00 0.00 N ATOM 1578 CA ILE A 102 1.573 -4.569 7.552 1.00 0.00 C ATOM 1579 C ILE A 102 0.055 -4.711 7.591 1.00 0.00 C ATOM 1580 O ILE A 102 -0.671 -3.717 7.623 1.00 0.00 O ATOM 1581 CB ILE A 102 2.076 -4.176 8.954 1.00 0.00 C ATOM 1582 CG1 ILE A 102 3.606 -4.155 8.982 1.00 0.00 C ATOM 1583 CG2 ILE A 102 1.535 -5.139 10.000 1.00 0.00 C ATOM 1584 CD1 ILE A 102 4.178 -3.571 10.255 1.00 0.00 C ATOM 0 H ILE A 102 1.900 -2.624 6.842 1.00 0.00 H new ATOM 0 HA ILE A 102 2.018 -5.523 7.269 1.00 0.00 H new ATOM 0 HB ILE A 102 1.713 -3.175 9.188 1.00 0.00 H new ATOM 0 HG12 ILE A 102 3.978 -5.172 8.859 1.00 0.00 H new ATOM 0 HG13 ILE A 102 3.969 -3.578 8.132 1.00 0.00 H new ATOM 0 HG21 ILE A 102 1.899 -4.848 10.985 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.445 -5.110 9.993 1.00 0.00 H new ATOM 0 HG23 ILE A 102 1.872 -6.150 9.773 1.00 0.00 H new ATOM 0 HD11 ILE A 102 5.267 -3.588 10.206 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.836 -2.543 10.369 1.00 0.00 H new ATOM 0 HD13 ILE A 102 3.844 -4.162 11.108 1.00 0.00 H new ATOM 1596 N SER A 103 -0.418 -5.953 7.590 1.00 0.00 N ATOM 1597 CA SER A 103 -1.850 -6.226 7.623 1.00 0.00 C ATOM 1598 C SER A 103 -2.336 -6.407 9.058 1.00 0.00 C ATOM 1599 O SER A 103 -1.704 -7.098 9.857 1.00 0.00 O ATOM 1600 CB SER A 103 -2.172 -7.476 6.802 1.00 0.00 C ATOM 1601 OG SER A 103 -2.425 -7.146 5.447 1.00 0.00 O ATOM 0 H SER A 103 0.170 -6.786 7.567 1.00 0.00 H new ATOM 0 HA SER A 103 -2.367 -5.371 7.188 1.00 0.00 H new ATOM 0 HB2 SER A 103 -1.339 -8.177 6.859 1.00 0.00 H new ATOM 0 HB3 SER A 103 -3.041 -7.979 7.225 1.00 0.00 H new ATOM 0 HG SER A 103 -2.780 -7.931 4.980 1.00 0.00 H new ATOM 1607 N THR A 104 -3.464 -5.780 9.378 1.00 0.00 N ATOM 1608 CA THR A 104 -4.035 -5.869 10.716 1.00 0.00 C ATOM 1609 C THR A 104 -5.537 -6.124 10.656 1.00 0.00 C ATOM 1610 O THR A 104 -6.299 -5.592 11.465 1.00 0.00 O ATOM 1611 CB THR A 104 -3.774 -4.585 11.525 1.00 0.00 C ATOM 1612 OG1 THR A 104 -4.472 -3.483 10.933 1.00 0.00 O ATOM 1613 CG2 THR A 104 -2.286 -4.276 11.585 1.00 0.00 C ATOM 0 H THR A 104 -4.000 -5.205 8.728 1.00 0.00 H new ATOM 0 HA THR A 104 -3.547 -6.707 11.214 1.00 0.00 H new ATOM 0 HB THR A 104 -4.137 -4.742 12.541 1.00 0.00 H new ATOM 0 HG1 THR A 104 -3.834 -2.907 10.462 1.00 0.00 H new ATOM 0 HG21 THR A 104 -2.127 -3.365 12.162 1.00 0.00 H new ATOM 0 HG22 THR A 104 -1.761 -5.104 12.062 1.00 0.00 H new ATOM 0 HG23 THR A 104 -1.902 -4.138 10.574 1.00 0.00 H new