USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 628 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 44 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 CYS SG : rot 180:sc= -0.0305 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HD1:sc= -0.078 X(o=-0.078,f=0) USER MOD Single : A 21 TYR OH : rot 180:sc= -0.0251 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -177:sc= 0.0754 (180deg=0.0728) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.282 X(o=-0.28,f=-0.042) USER MOD Single : A 39 ASN : amide:sc= -2.08! K(o=-2.1!,f=-0.92) USER MOD Single : A 40 GLN : amide:sc= -1.85! C(o=-1.9!,f=-5!) USER MOD Single : A 42 GLN : amide:sc= -0.68 X(o=-0.68,f=-0.23) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.00886 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 MET CE :methyl -174:sc= -1.58 (180deg=-1.64) USER MOD Single : A 52 MET CE :methyl 139:sc= -2.36! (180deg=-2.76!) USER MOD Single : A 55 LYS NZ :NH3+ -159:sc= 0.508 (180deg=-0.938!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -162:sc= -0.36 (180deg=-0.983!) USER MOD Single : A 69 CYS SG : rot -120:sc= -0.946 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 120 N LEU A 11 0.639 7.052 4.965 1.00 0.00 N ATOM 121 CA LEU A 11 1.833 6.236 4.768 1.00 0.00 C ATOM 122 C LEU A 11 1.750 4.946 5.577 1.00 0.00 C ATOM 123 O LEU A 11 2.242 3.902 5.150 1.00 0.00 O ATOM 124 CB LEU A 11 3.083 7.023 5.166 1.00 0.00 C ATOM 125 CG LEU A 11 4.367 6.666 4.418 1.00 0.00 C ATOM 126 CD1 LEU A 11 4.831 5.266 4.791 1.00 0.00 C ATOM 127 CD2 LEU A 11 4.157 6.777 2.915 1.00 0.00 C ATOM 0 HA LEU A 11 1.896 5.976 3.711 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.883 8.084 5.017 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.255 6.878 6.232 1.00 0.00 H new ATOM 0 HG LEU A 11 5.143 7.374 4.710 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.746 5.029 4.249 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.022 5.220 5.863 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.057 4.544 4.529 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.082 6.519 2.398 1.00 0.00 H new ATOM 0 HD22 LEU A 11 3.366 6.093 2.607 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.873 7.798 2.662 1.00 0.00 H new ATOM 139 N ARG A 12 1.124 5.027 6.746 1.00 0.00 N ATOM 140 CA ARG A 12 0.976 3.864 7.615 1.00 0.00 C ATOM 141 C ARG A 12 0.299 2.715 6.875 1.00 0.00 C ATOM 142 O ARG A 12 0.340 1.568 7.317 1.00 0.00 O ATOM 143 CB ARG A 12 0.166 4.231 8.860 1.00 0.00 C ATOM 144 CG ARG A 12 0.274 3.210 9.980 1.00 0.00 C ATOM 145 CD ARG A 12 0.044 3.849 11.340 1.00 0.00 C ATOM 146 NE ARG A 12 1.275 4.392 11.907 1.00 0.00 N ATOM 147 CZ ARG A 12 1.456 4.607 13.205 1.00 0.00 C ATOM 148 NH1 ARG A 12 0.490 4.326 14.067 1.00 0.00 N ATOM 149 NH2 ARG A 12 2.606 5.105 13.643 1.00 0.00 N ATOM 0 H ARG A 12 0.711 5.884 7.114 1.00 0.00 H new ATOM 0 HA ARG A 12 1.971 3.540 7.920 1.00 0.00 H new ATOM 0 HB2 ARG A 12 0.502 5.200 9.229 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -0.882 4.343 8.581 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -0.456 2.416 9.822 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.260 2.746 9.957 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -0.693 4.646 11.245 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -0.373 3.108 12.022 1.00 0.00 H new ATOM 0 HE ARG A 12 2.039 4.619 11.270 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -0.395 3.944 13.734 1.00 0.00 H new ATOM 0 HH12 ARG A 12 0.631 4.492 15.063 1.00 0.00 H new ATOM 0 HH21 ARG A 12 3.352 5.323 12.982 1.00 0.00 H new ATOM 0 HH22 ARG A 12 2.744 5.270 14.640 1.00 0.00 H new ATOM 163 N GLY A 13 -0.326 3.032 5.745 1.00 0.00 N ATOM 164 CA GLY A 13 -1.005 2.015 4.962 1.00 0.00 C ATOM 165 C GLY A 13 -0.111 0.831 4.652 1.00 0.00 C ATOM 166 O GLY A 13 -0.590 -0.294 4.495 1.00 0.00 O ATOM 0 H GLY A 13 -0.374 3.974 5.358 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -1.885 1.670 5.505 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.358 2.454 4.029 1.00 0.00 H new ATOM 170 N LEU A 14 1.191 1.080 4.562 1.00 0.00 N ATOM 171 CA LEU A 14 2.154 0.025 4.268 1.00 0.00 C ATOM 172 C LEU A 14 2.482 -0.779 5.522 1.00 0.00 C ATOM 173 O LEU A 14 2.421 -2.008 5.517 1.00 0.00 O ATOM 174 CB LEU A 14 3.434 0.624 3.683 1.00 0.00 C ATOM 175 CG LEU A 14 3.269 1.431 2.395 1.00 0.00 C ATOM 176 CD1 LEU A 14 4.576 2.112 2.021 1.00 0.00 C ATOM 177 CD2 LEU A 14 2.788 0.535 1.262 1.00 0.00 C ATOM 0 H LEU A 14 1.604 2.004 4.689 1.00 0.00 H new ATOM 0 HA LEU A 14 1.707 -0.647 3.535 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.887 1.268 4.436 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.137 -0.187 3.493 1.00 0.00 H new ATOM 0 HG LEU A 14 2.518 2.202 2.565 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.439 2.682 1.102 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.878 2.785 2.823 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.349 1.358 1.869 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.676 1.126 0.353 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.516 -0.258 1.092 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.827 0.095 1.529 1.00 0.00 H new ATOM 189 N GLU A 15 2.827 -0.075 6.596 1.00 0.00 N ATOM 190 CA GLU A 15 3.163 -0.724 7.858 1.00 0.00 C ATOM 191 C GLU A 15 1.987 -1.546 8.377 1.00 0.00 C ATOM 192 O GLU A 15 2.173 -2.611 8.969 1.00 0.00 O ATOM 193 CB GLU A 15 3.570 0.319 8.901 1.00 0.00 C ATOM 194 CG GLU A 15 5.035 0.716 8.826 1.00 0.00 C ATOM 195 CD GLU A 15 5.933 -0.217 9.613 1.00 0.00 C ATOM 196 OE1 GLU A 15 6.095 -1.382 9.189 1.00 0.00 O ATOM 197 OE2 GLU A 15 6.476 0.215 10.651 1.00 0.00 O ATOM 0 H GLU A 15 2.881 0.943 6.617 1.00 0.00 H new ATOM 0 HA GLU A 15 4.003 -1.396 7.679 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.954 1.209 8.772 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.359 -0.073 9.896 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.352 0.725 7.783 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.152 1.732 9.204 1.00 0.00 H new ATOM 204 N CYS A 16 0.777 -1.045 8.153 1.00 0.00 N ATOM 205 CA CYS A 16 -0.430 -1.731 8.599 1.00 0.00 C ATOM 206 C CYS A 16 -0.373 -3.215 8.246 1.00 0.00 C ATOM 207 O CYS A 16 -0.473 -4.075 9.120 1.00 0.00 O ATOM 208 CB CYS A 16 -1.667 -1.091 7.970 1.00 0.00 C ATOM 209 SG CYS A 16 -2.280 0.360 8.858 1.00 0.00 S ATOM 0 H CYS A 16 0.606 -0.166 7.665 1.00 0.00 H new ATOM 0 HA CYS A 16 -0.494 -1.636 9.683 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -1.433 -0.804 6.945 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.462 -1.835 7.919 1.00 0.00 H new ATOM 0 HG CYS A 16 -3.327 0.832 8.248 1.00 0.00 H new ATOM 215 N ILE A 17 -0.216 -3.505 6.958 1.00 0.00 N ATOM 216 CA ILE A 17 -0.148 -4.883 6.489 1.00 0.00 C ATOM 217 C ILE A 17 1.119 -5.571 6.987 1.00 0.00 C ATOM 218 O ILE A 17 2.174 -4.947 7.096 1.00 0.00 O ATOM 219 CB ILE A 17 -0.189 -4.958 4.951 1.00 0.00 C ATOM 220 CG1 ILE A 17 0.847 -4.007 4.346 1.00 0.00 C ATOM 221 CG2 ILE A 17 -1.583 -4.625 4.442 1.00 0.00 C ATOM 222 CD1 ILE A 17 1.074 -4.225 2.866 1.00 0.00 C ATOM 0 H ILE A 17 -0.134 -2.804 6.222 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.021 -5.397 6.892 1.00 0.00 H new ATOM 0 HB ILE A 17 0.055 -5.975 4.644 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.523 -2.979 4.508 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.793 -4.130 4.873 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.596 -4.682 3.354 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.300 -5.337 4.851 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.854 -3.617 4.756 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.820 -3.517 2.504 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.428 -5.242 2.698 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.138 -4.073 2.328 1.00 0.00 H new ATOM 234 N ASN A 18 1.007 -6.861 7.285 1.00 0.00 N ATOM 235 CA ASN A 18 2.143 -7.635 7.771 1.00 0.00 C ATOM 236 C ASN A 18 3.156 -7.872 6.655 1.00 0.00 C ATOM 237 O ASN A 18 2.787 -8.075 5.498 1.00 0.00 O ATOM 238 CB ASN A 18 1.670 -8.975 8.338 1.00 0.00 C ATOM 239 CG ASN A 18 0.608 -8.807 9.407 1.00 0.00 C ATOM 240 OD1 ASN A 18 0.894 -8.364 10.518 1.00 0.00 O ATOM 241 ND2 ASN A 18 -0.628 -9.163 9.073 1.00 0.00 N ATOM 0 H ASN A 18 0.141 -7.393 7.198 1.00 0.00 H new ATOM 0 HA ASN A 18 2.627 -7.064 8.563 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.274 -9.589 7.529 1.00 0.00 H new ATOM 0 HB3 ASN A 18 2.522 -9.510 8.757 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.385 -9.073 9.750 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -0.819 -9.526 8.139 1.00 0.00 H new ATOM 248 N LYS A 19 4.437 -7.845 7.009 1.00 0.00 N ATOM 249 CA LYS A 19 5.504 -8.058 6.039 1.00 0.00 C ATOM 250 C LYS A 19 5.098 -9.102 5.004 1.00 0.00 C ATOM 251 O LYS A 19 5.507 -9.032 3.844 1.00 0.00 O ATOM 252 CB LYS A 19 6.786 -8.501 6.749 1.00 0.00 C ATOM 253 CG LYS A 19 7.442 -7.398 7.563 1.00 0.00 C ATOM 254 CD LYS A 19 7.964 -6.284 6.672 1.00 0.00 C ATOM 255 CE LYS A 19 8.694 -5.222 7.479 1.00 0.00 C ATOM 256 NZ LYS A 19 7.749 -4.335 8.212 1.00 0.00 N ATOM 0 H LYS A 19 4.761 -7.677 7.962 1.00 0.00 H new ATOM 0 HA LYS A 19 5.687 -7.114 5.525 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.556 -9.339 7.407 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.496 -8.864 6.006 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.722 -6.991 8.273 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.264 -7.814 8.146 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.638 -6.701 5.923 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.133 -5.827 6.134 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.365 -5.704 8.190 1.00 0.00 H new ATOM 0 HE3 LYS A 19 9.313 -4.621 6.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.286 -3.625 8.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.125 -3.856 7.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.175 -4.904 8.867 1.00 0.00 H new ATOM 270 N HIS A 20 4.289 -10.068 5.429 1.00 0.00 N ATOM 271 CA HIS A 20 3.826 -11.125 4.537 1.00 0.00 C ATOM 272 C HIS A 20 3.147 -10.536 3.304 1.00 0.00 C ATOM 273 O HIS A 20 3.553 -10.802 2.173 1.00 0.00 O ATOM 274 CB HIS A 20 2.860 -12.054 5.272 1.00 0.00 C ATOM 275 CG HIS A 20 2.049 -12.919 4.357 1.00 0.00 C ATOM 276 ND1 HIS A 20 2.476 -14.152 3.912 1.00 0.00 N ATOM 277 CD2 HIS A 20 0.828 -12.724 3.805 1.00 0.00 C ATOM 278 CE1 HIS A 20 1.555 -14.677 3.124 1.00 0.00 C ATOM 279 NE2 HIS A 20 0.544 -13.831 3.044 1.00 0.00 N ATOM 0 H HIS A 20 3.941 -10.140 6.385 1.00 0.00 H new ATOM 0 HA HIS A 20 4.694 -11.699 4.212 1.00 0.00 H new ATOM 0 HB2 HIS A 20 3.427 -12.690 5.952 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.186 -11.454 5.884 1.00 0.00 H new ATOM 0 HD2 HIS A 20 0.195 -11.859 3.938 1.00 0.00 H new ATOM 0 HE1 HIS A 20 1.618 -15.635 2.629 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -0.309 -13.976 2.504 1.00 0.00 H new ATOM 288 N TYR A 21 2.110 -9.737 3.531 1.00 0.00 N ATOM 289 CA TYR A 21 1.372 -9.114 2.438 1.00 0.00 C ATOM 290 C TYR A 21 2.233 -8.078 1.722 1.00 0.00 C ATOM 291 O TYR A 21 2.242 -8.006 0.492 1.00 0.00 O ATOM 292 CB TYR A 21 0.097 -8.456 2.967 1.00 0.00 C ATOM 293 CG TYR A 21 -1.067 -9.411 3.100 1.00 0.00 C ATOM 294 CD1 TYR A 21 -1.528 -10.132 2.004 1.00 0.00 C ATOM 295 CD2 TYR A 21 -1.709 -9.593 4.320 1.00 0.00 C ATOM 296 CE1 TYR A 21 -2.591 -11.006 2.121 1.00 0.00 C ATOM 297 CE2 TYR A 21 -2.772 -10.465 4.445 1.00 0.00 C ATOM 298 CZ TYR A 21 -3.210 -11.169 3.343 1.00 0.00 C ATOM 299 OH TYR A 21 -4.270 -12.039 3.464 1.00 0.00 O ATOM 0 H TYR A 21 1.762 -9.506 4.461 1.00 0.00 H new ATOM 0 HA TYR A 21 1.102 -9.892 1.724 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.305 -8.012 3.940 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -0.186 -7.642 2.299 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.047 -10.006 1.045 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -1.370 -9.042 5.185 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -2.936 -11.559 1.260 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -3.258 -10.595 5.401 1.00 0.00 H new ATOM 0 HH TYR A 21 -4.591 -12.037 4.390 1.00 0.00 H new ATOM 309 N PHE A 22 2.955 -7.278 2.498 1.00 0.00 N ATOM 310 CA PHE A 22 3.819 -6.246 1.938 1.00 0.00 C ATOM 311 C PHE A 22 4.646 -6.797 0.781 1.00 0.00 C ATOM 312 O PHE A 22 4.847 -6.121 -0.229 1.00 0.00 O ATOM 313 CB PHE A 22 4.745 -5.685 3.019 1.00 0.00 C ATOM 314 CG PHE A 22 5.592 -4.538 2.547 1.00 0.00 C ATOM 315 CD1 PHE A 22 5.024 -3.473 1.867 1.00 0.00 C ATOM 316 CD2 PHE A 22 6.958 -4.524 2.784 1.00 0.00 C ATOM 317 CE1 PHE A 22 5.801 -2.416 1.431 1.00 0.00 C ATOM 318 CE2 PHE A 22 7.739 -3.470 2.351 1.00 0.00 C ATOM 319 CZ PHE A 22 7.160 -2.416 1.673 1.00 0.00 C ATOM 0 H PHE A 22 2.959 -7.324 3.517 1.00 0.00 H new ATOM 0 HA PHE A 22 3.186 -5.444 1.559 1.00 0.00 H new ATOM 0 HB2 PHE A 22 4.144 -5.357 3.867 1.00 0.00 H new ATOM 0 HB3 PHE A 22 5.395 -6.482 3.379 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.961 -3.468 1.675 1.00 0.00 H new ATOM 0 HD2 PHE A 22 7.417 -5.346 3.313 1.00 0.00 H new ATOM 0 HE1 PHE A 22 5.346 -1.592 0.902 1.00 0.00 H new ATOM 0 HE2 PHE A 22 8.802 -3.471 2.543 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.770 -1.592 1.332 1.00 0.00 H new ATOM 329 N SER A 23 5.122 -8.028 0.934 1.00 0.00 N ATOM 330 CA SER A 23 5.930 -8.670 -0.095 1.00 0.00 C ATOM 331 C SER A 23 5.176 -8.726 -1.421 1.00 0.00 C ATOM 332 O SER A 23 5.756 -8.515 -2.488 1.00 0.00 O ATOM 333 CB SER A 23 6.323 -10.082 0.340 1.00 0.00 C ATOM 334 OG SER A 23 7.380 -10.586 -0.457 1.00 0.00 O ATOM 0 H SER A 23 4.962 -8.601 1.762 1.00 0.00 H new ATOM 0 HA SER A 23 6.834 -8.077 -0.234 1.00 0.00 H new ATOM 0 HB2 SER A 23 6.626 -10.072 1.387 1.00 0.00 H new ATOM 0 HB3 SER A 23 5.459 -10.743 0.264 1.00 0.00 H new ATOM 0 HG SER A 23 7.613 -11.489 -0.158 1.00 0.00 H new ATOM 340 N LEU A 24 3.881 -9.010 -1.346 1.00 0.00 N ATOM 341 CA LEU A 24 3.047 -9.094 -2.540 1.00 0.00 C ATOM 342 C LEU A 24 2.912 -7.729 -3.207 1.00 0.00 C ATOM 343 O LEU A 24 3.006 -7.612 -4.429 1.00 0.00 O ATOM 344 CB LEU A 24 1.662 -9.637 -2.180 1.00 0.00 C ATOM 345 CG LEU A 24 1.578 -11.142 -1.923 1.00 0.00 C ATOM 346 CD1 LEU A 24 1.818 -11.445 -0.451 1.00 0.00 C ATOM 347 CD2 LEU A 24 0.228 -11.685 -2.368 1.00 0.00 C ATOM 0 H LEU A 24 3.386 -9.186 -0.472 1.00 0.00 H new ATOM 0 HA LEU A 24 3.528 -9.775 -3.242 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.310 -9.116 -1.290 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.974 -9.388 -2.988 1.00 0.00 H new ATOM 0 HG LEU A 24 2.355 -11.635 -2.507 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.755 -12.521 -0.286 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.808 -11.091 -0.163 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.063 -10.940 0.152 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.186 -12.757 -2.177 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.566 -11.187 -1.812 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.095 -11.501 -3.434 1.00 0.00 H new ATOM 359 N PHE A 25 2.694 -6.698 -2.397 1.00 0.00 N ATOM 360 CA PHE A 25 2.548 -5.342 -2.909 1.00 0.00 C ATOM 361 C PHE A 25 3.772 -4.933 -3.722 1.00 0.00 C ATOM 362 O PHE A 25 3.650 -4.351 -4.801 1.00 0.00 O ATOM 363 CB PHE A 25 2.337 -4.358 -1.756 1.00 0.00 C ATOM 364 CG PHE A 25 1.951 -2.979 -2.207 1.00 0.00 C ATOM 365 CD1 PHE A 25 1.007 -2.800 -3.205 1.00 0.00 C ATOM 366 CD2 PHE A 25 2.534 -1.860 -1.633 1.00 0.00 C ATOM 367 CE1 PHE A 25 0.650 -1.532 -3.621 1.00 0.00 C ATOM 368 CE2 PHE A 25 2.180 -0.589 -2.046 1.00 0.00 C ATOM 369 CZ PHE A 25 1.237 -0.425 -3.042 1.00 0.00 C ATOM 0 H PHE A 25 2.615 -6.777 -1.383 1.00 0.00 H new ATOM 0 HA PHE A 25 1.675 -5.320 -3.562 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.561 -4.746 -1.096 1.00 0.00 H new ATOM 0 HB3 PHE A 25 3.254 -4.296 -1.169 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.545 -3.662 -3.663 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.273 -1.982 -0.855 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.088 -1.407 -4.399 1.00 0.00 H new ATOM 0 HE2 PHE A 25 2.640 0.275 -1.590 1.00 0.00 H new ATOM 0 HZ PHE A 25 0.960 0.567 -3.367 1.00 0.00 H new ATOM 379 N LYS A 26 4.954 -5.240 -3.198 1.00 0.00 N ATOM 380 CA LYS A 26 6.202 -4.906 -3.874 1.00 0.00 C ATOM 381 C LYS A 26 6.291 -5.603 -5.228 1.00 0.00 C ATOM 382 O LYS A 26 7.031 -5.171 -6.111 1.00 0.00 O ATOM 383 CB LYS A 26 7.398 -5.301 -3.004 1.00 0.00 C ATOM 384 CG LYS A 26 7.786 -4.243 -1.986 1.00 0.00 C ATOM 385 CD LYS A 26 8.962 -4.693 -1.136 1.00 0.00 C ATOM 386 CE LYS A 26 8.533 -5.701 -0.080 1.00 0.00 C ATOM 387 NZ LYS A 26 9.670 -6.550 0.369 1.00 0.00 N ATOM 0 H LYS A 26 5.074 -5.720 -2.306 1.00 0.00 H new ATOM 0 HA LYS A 26 6.221 -3.829 -4.039 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.165 -6.228 -2.481 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.254 -5.504 -3.648 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.041 -3.317 -2.501 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.933 -4.025 -1.343 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.726 -5.137 -1.775 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.415 -3.828 -0.652 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.113 -5.173 0.776 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.743 -6.335 -0.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.327 -7.257 1.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.087 -7.034 -0.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.391 -5.953 0.822 1.00 0.00 H new ATOM 401 N SER A 27 5.532 -6.683 -5.383 1.00 0.00 N ATOM 402 CA SER A 27 5.527 -7.442 -6.628 1.00 0.00 C ATOM 403 C SER A 27 4.801 -6.675 -7.728 1.00 0.00 C ATOM 404 O SER A 27 5.282 -6.581 -8.859 1.00 0.00 O ATOM 405 CB SER A 27 4.865 -8.804 -6.418 1.00 0.00 C ATOM 406 OG SER A 27 4.966 -9.606 -7.582 1.00 0.00 O ATOM 0 H SER A 27 4.912 -7.052 -4.662 1.00 0.00 H new ATOM 0 HA SER A 27 6.561 -7.594 -6.936 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.336 -9.315 -5.579 1.00 0.00 H new ATOM 0 HB3 SER A 27 3.816 -8.665 -6.158 1.00 0.00 H new ATOM 0 HG SER A 27 4.536 -10.472 -7.421 1.00 0.00 H new ATOM 412 N LEU A 28 3.639 -6.126 -7.390 1.00 0.00 N ATOM 413 CA LEU A 28 2.844 -5.366 -8.349 1.00 0.00 C ATOM 414 C LEU A 28 3.540 -4.061 -8.719 1.00 0.00 C ATOM 415 O LEU A 28 3.361 -3.540 -9.821 1.00 0.00 O ATOM 416 CB LEU A 28 1.458 -5.073 -7.773 1.00 0.00 C ATOM 417 CG LEU A 28 0.727 -6.260 -7.145 1.00 0.00 C ATOM 418 CD1 LEU A 28 -0.332 -5.778 -6.166 1.00 0.00 C ATOM 419 CD2 LEU A 28 0.103 -7.133 -8.223 1.00 0.00 C ATOM 0 H LEU A 28 3.227 -6.193 -6.460 1.00 0.00 H new ATOM 0 HA LEU A 28 2.736 -5.967 -9.252 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.558 -4.293 -7.018 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.834 -4.668 -8.569 1.00 0.00 H new ATOM 0 HG LEU A 28 1.453 -6.860 -6.596 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.842 -6.637 -5.729 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.141 -5.196 -5.375 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.056 -5.155 -6.691 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.413 -7.973 -7.758 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.610 -6.544 -8.801 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.884 -7.508 -8.884 1.00 0.00 H new ATOM 431 N LEU A 29 4.336 -3.537 -7.794 1.00 0.00 N ATOM 432 CA LEU A 29 5.061 -2.292 -8.023 1.00 0.00 C ATOM 433 C LEU A 29 6.427 -2.565 -8.646 1.00 0.00 C ATOM 434 O LEU A 29 6.972 -1.727 -9.363 1.00 0.00 O ATOM 435 CB LEU A 29 5.231 -1.528 -6.709 1.00 0.00 C ATOM 436 CG LEU A 29 4.110 -0.551 -6.352 1.00 0.00 C ATOM 437 CD1 LEU A 29 3.818 0.377 -7.520 1.00 0.00 C ATOM 438 CD2 LEU A 29 2.855 -1.307 -5.941 1.00 0.00 C ATOM 0 H LEU A 29 4.496 -3.955 -6.877 1.00 0.00 H new ATOM 0 HA LEU A 29 4.480 -1.684 -8.716 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.326 -2.252 -5.900 1.00 0.00 H new ATOM 0 HB3 LEU A 29 6.169 -0.974 -6.752 1.00 0.00 H new ATOM 0 HG LEU A 29 4.438 0.055 -5.507 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.018 1.065 -7.247 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.715 0.944 -7.767 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.511 -0.212 -8.385 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.068 -0.596 -5.690 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.524 -1.939 -6.765 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.073 -1.928 -5.072 1.00 0.00 H new ATOM 450 N ALA A 30 6.973 -3.744 -8.368 1.00 0.00 N ATOM 451 CA ALA A 30 8.272 -4.130 -8.905 1.00 0.00 C ATOM 452 C ALA A 30 8.454 -3.613 -10.328 1.00 0.00 C ATOM 453 O ALA A 30 9.495 -3.051 -10.666 1.00 0.00 O ATOM 454 CB ALA A 30 8.432 -5.643 -8.865 1.00 0.00 C ATOM 0 H ALA A 30 6.536 -4.449 -7.774 1.00 0.00 H new ATOM 0 HA ALA A 30 9.044 -3.678 -8.282 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.407 -5.917 -9.269 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.356 -5.990 -7.834 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.648 -6.108 -9.463 1.00 0.00 H new ATOM 460 N ARG A 31 7.435 -3.808 -11.157 1.00 0.00 N ATOM 461 CA ARG A 31 7.482 -3.363 -12.546 1.00 0.00 C ATOM 462 C ARG A 31 7.613 -1.846 -12.626 1.00 0.00 C ATOM 463 O ARG A 31 8.507 -1.323 -13.290 1.00 0.00 O ATOM 464 CB ARG A 31 6.229 -3.820 -13.294 1.00 0.00 C ATOM 465 CG ARG A 31 5.004 -3.954 -12.404 1.00 0.00 C ATOM 466 CD ARG A 31 4.876 -5.360 -11.840 1.00 0.00 C ATOM 467 NE ARG A 31 4.128 -6.243 -12.733 1.00 0.00 N ATOM 468 CZ ARG A 31 2.836 -6.089 -13.003 1.00 0.00 C ATOM 469 NH1 ARG A 31 2.154 -5.094 -12.454 1.00 0.00 N ATOM 470 NH2 ARG A 31 2.225 -6.932 -13.826 1.00 0.00 N ATOM 0 H ARG A 31 6.566 -4.271 -10.892 1.00 0.00 H new ATOM 0 HA ARG A 31 8.358 -3.811 -13.015 1.00 0.00 H new ATOM 0 HB2 ARG A 31 6.012 -3.109 -14.091 1.00 0.00 H new ATOM 0 HB3 ARG A 31 6.430 -4.780 -13.769 1.00 0.00 H new ATOM 0 HG2 ARG A 31 5.067 -3.237 -11.586 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.109 -3.707 -12.975 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.870 -5.774 -11.670 1.00 0.00 H new ATOM 0 HD3 ARG A 31 4.378 -5.318 -10.871 1.00 0.00 H new ATOM 0 HE ARG A 31 4.624 -7.019 -13.172 1.00 0.00 H new ATOM 0 HH11 ARG A 31 2.621 -4.443 -11.822 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.162 -4.979 -12.663 1.00 0.00 H new ATOM 0 HH21 ARG A 31 2.747 -7.698 -14.251 1.00 0.00 H new ATOM 0 HH22 ARG A 31 1.233 -6.814 -14.033 1.00 0.00 H new ATOM 484 N ASP A 32 6.712 -1.144 -11.945 1.00 0.00 N ATOM 485 CA ASP A 32 6.726 0.315 -11.939 1.00 0.00 C ATOM 486 C ASP A 32 7.982 0.843 -11.254 1.00 0.00 C ATOM 487 O ASP A 32 8.808 1.512 -11.877 1.00 0.00 O ATOM 488 CB ASP A 32 5.480 0.854 -11.234 1.00 0.00 C ATOM 489 CG ASP A 32 4.261 0.857 -12.136 1.00 0.00 C ATOM 490 OD1 ASP A 32 4.419 1.121 -13.347 1.00 0.00 O ATOM 491 OD2 ASP A 32 3.150 0.594 -11.632 1.00 0.00 O ATOM 0 H ASP A 32 5.964 -1.561 -11.391 1.00 0.00 H new ATOM 0 HA ASP A 32 6.727 0.659 -12.973 1.00 0.00 H new ATOM 0 HB2 ASP A 32 5.274 0.248 -10.352 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.673 1.869 -10.886 1.00 0.00 H new ATOM 496 N LEU A 33 8.120 0.540 -9.967 1.00 0.00 N ATOM 497 CA LEU A 33 9.275 0.986 -9.196 1.00 0.00 C ATOM 498 C LEU A 33 10.568 0.422 -9.776 1.00 0.00 C ATOM 499 O LEU A 33 11.648 0.970 -9.561 1.00 0.00 O ATOM 500 CB LEU A 33 9.132 0.561 -7.734 1.00 0.00 C ATOM 501 CG LEU A 33 8.118 1.348 -6.902 1.00 0.00 C ATOM 502 CD1 LEU A 33 8.206 0.951 -5.437 1.00 0.00 C ATOM 503 CD2 LEU A 33 8.341 2.844 -7.065 1.00 0.00 C ATOM 0 H LEU A 33 7.446 -0.012 -9.436 1.00 0.00 H new ATOM 0 HA LEU A 33 9.318 2.074 -9.250 1.00 0.00 H new ATOM 0 HB2 LEU A 33 8.853 -0.492 -7.708 1.00 0.00 H new ATOM 0 HB3 LEU A 33 10.108 0.644 -7.255 1.00 0.00 H new ATOM 0 HG LEU A 33 7.118 1.108 -7.262 1.00 0.00 H new ATOM 0 HD11 LEU A 33 7.477 1.521 -4.861 1.00 0.00 H new ATOM 0 HD12 LEU A 33 7.996 -0.114 -5.335 1.00 0.00 H new ATOM 0 HD13 LEU A 33 9.208 1.160 -5.063 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.611 3.388 -6.466 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.347 3.100 -6.732 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.226 3.117 -8.114 1.00 0.00 H new ATOM 515 N ASN A 34 10.449 -0.676 -10.516 1.00 0.00 N ATOM 516 CA ASN A 34 11.609 -1.313 -11.130 1.00 0.00 C ATOM 517 C ASN A 34 12.432 -2.064 -10.088 1.00 0.00 C ATOM 518 O ASN A 34 13.643 -2.229 -10.238 1.00 0.00 O ATOM 519 CB ASN A 34 12.481 -0.267 -11.829 1.00 0.00 C ATOM 520 CG ASN A 34 13.313 -0.863 -12.947 1.00 0.00 C ATOM 521 OD1 ASN A 34 12.845 -1.002 -14.078 1.00 0.00 O ATOM 522 ND2 ASN A 34 14.554 -1.220 -12.636 1.00 0.00 N ATOM 0 H ASN A 34 9.562 -1.143 -10.705 1.00 0.00 H new ATOM 0 HA ASN A 34 11.250 -2.030 -11.869 1.00 0.00 H new ATOM 0 HB2 ASN A 34 11.845 0.521 -12.233 1.00 0.00 H new ATOM 0 HB3 ASN A 34 13.141 0.200 -11.098 1.00 0.00 H new ATOM 0 HD21 ASN A 34 15.161 -1.628 -13.347 1.00 0.00 H new ATOM 0 HD22 ASN A 34 14.900 -1.086 -11.686 1.00 0.00 H new ATOM 529 N LEU A 35 11.767 -2.517 -9.032 1.00 0.00 N ATOM 530 CA LEU A 35 12.436 -3.252 -7.963 1.00 0.00 C ATOM 531 C LEU A 35 13.084 -4.524 -8.501 1.00 0.00 C ATOM 532 O LEU A 35 12.959 -4.843 -9.682 1.00 0.00 O ATOM 533 CB LEU A 35 11.440 -3.602 -6.856 1.00 0.00 C ATOM 534 CG LEU A 35 10.603 -2.442 -6.315 1.00 0.00 C ATOM 535 CD1 LEU A 35 9.511 -2.957 -5.390 1.00 0.00 C ATOM 536 CD2 LEU A 35 11.488 -1.439 -5.591 1.00 0.00 C ATOM 0 H LEU A 35 10.765 -2.389 -8.892 1.00 0.00 H new ATOM 0 HA LEU A 35 13.218 -2.614 -7.551 1.00 0.00 H new ATOM 0 HB2 LEU A 35 10.762 -4.368 -7.233 1.00 0.00 H new ATOM 0 HB3 LEU A 35 11.991 -4.045 -6.026 1.00 0.00 H new ATOM 0 HG LEU A 35 10.129 -1.937 -7.157 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.926 -2.117 -5.015 1.00 0.00 H new ATOM 0 HD12 LEU A 35 8.859 -3.637 -5.939 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.964 -3.487 -4.552 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.876 -0.620 -5.213 1.00 0.00 H new ATOM 0 HD22 LEU A 35 11.990 -1.931 -4.758 1.00 0.00 H new ATOM 0 HD23 LEU A 35 12.233 -1.045 -6.283 1.00 0.00 H new ATOM 548 N GLU A 36 13.774 -5.247 -7.624 1.00 0.00 N ATOM 549 CA GLU A 36 14.440 -6.484 -8.011 1.00 0.00 C ATOM 550 C GLU A 36 13.426 -7.526 -8.474 1.00 0.00 C ATOM 551 O GLU A 36 12.290 -7.555 -8.000 1.00 0.00 O ATOM 552 CB GLU A 36 15.258 -7.037 -6.842 1.00 0.00 C ATOM 553 CG GLU A 36 16.653 -6.444 -6.741 1.00 0.00 C ATOM 554 CD GLU A 36 17.676 -7.219 -7.548 1.00 0.00 C ATOM 555 OE1 GLU A 36 17.463 -8.431 -7.768 1.00 0.00 O ATOM 556 OE2 GLU A 36 18.689 -6.617 -7.960 1.00 0.00 O ATOM 0 H GLU A 36 13.886 -4.997 -6.641 1.00 0.00 H new ATOM 0 HA GLU A 36 15.111 -6.261 -8.841 1.00 0.00 H new ATOM 0 HB2 GLU A 36 14.723 -6.845 -5.912 1.00 0.00 H new ATOM 0 HB3 GLU A 36 15.339 -8.119 -6.946 1.00 0.00 H new ATOM 0 HG2 GLU A 36 16.630 -5.411 -7.087 1.00 0.00 H new ATOM 0 HG3 GLU A 36 16.960 -6.424 -5.695 1.00 0.00 H new ATOM 563 N ARG A 37 13.845 -8.379 -9.403 1.00 0.00 N ATOM 564 CA ARG A 37 12.973 -9.421 -9.932 1.00 0.00 C ATOM 565 C ARG A 37 12.606 -10.427 -8.844 1.00 0.00 C ATOM 566 O ARG A 37 11.480 -10.922 -8.797 1.00 0.00 O ATOM 567 CB ARG A 37 13.653 -10.141 -11.098 1.00 0.00 C ATOM 568 CG ARG A 37 14.923 -10.878 -10.702 1.00 0.00 C ATOM 569 CD ARG A 37 14.628 -12.310 -10.285 1.00 0.00 C ATOM 570 NE ARG A 37 15.797 -12.960 -9.700 1.00 0.00 N ATOM 571 CZ ARG A 37 15.943 -14.279 -9.622 1.00 0.00 C ATOM 572 NH1 ARG A 37 14.998 -15.082 -10.091 1.00 0.00 N ATOM 573 NH2 ARG A 37 17.036 -14.796 -9.078 1.00 0.00 N ATOM 0 H ARG A 37 14.782 -8.369 -9.805 1.00 0.00 H new ATOM 0 HA ARG A 37 12.058 -8.948 -10.289 1.00 0.00 H new ATOM 0 HB2 ARG A 37 12.951 -10.852 -11.534 1.00 0.00 H new ATOM 0 HB3 ARG A 37 13.892 -9.413 -11.873 1.00 0.00 H new ATOM 0 HG2 ARG A 37 15.621 -10.878 -11.539 1.00 0.00 H new ATOM 0 HG3 ARG A 37 15.410 -10.352 -9.881 1.00 0.00 H new ATOM 0 HD2 ARG A 37 13.810 -12.317 -9.564 1.00 0.00 H new ATOM 0 HD3 ARG A 37 14.293 -12.879 -11.152 1.00 0.00 H new ATOM 0 HE ARG A 37 16.543 -12.370 -9.331 1.00 0.00 H new ATOM 0 HH11 ARG A 37 14.157 -14.688 -10.513 1.00 0.00 H new ATOM 0 HH12 ARG A 37 15.112 -16.094 -10.030 1.00 0.00 H new ATOM 0 HH21 ARG A 37 17.766 -14.181 -8.719 1.00 0.00 H new ATOM 0 HH22 ARG A 37 17.146 -15.808 -9.019 1.00 0.00 H new ATOM 587 N ASP A 38 13.564 -10.725 -7.973 1.00 0.00 N ATOM 588 CA ASP A 38 13.342 -11.670 -6.886 1.00 0.00 C ATOM 589 C ASP A 38 13.881 -11.120 -5.568 1.00 0.00 C ATOM 590 O ASP A 38 13.317 -11.371 -4.503 1.00 0.00 O ATOM 591 CB ASP A 38 14.007 -13.010 -7.203 1.00 0.00 C ATOM 592 CG ASP A 38 14.138 -13.895 -5.979 1.00 0.00 C ATOM 593 OD1 ASP A 38 13.131 -14.069 -5.262 1.00 0.00 O ATOM 594 OD2 ASP A 38 15.249 -14.415 -5.738 1.00 0.00 O ATOM 0 H ASP A 38 14.502 -10.325 -7.999 1.00 0.00 H new ATOM 0 HA ASP A 38 12.267 -11.821 -6.783 1.00 0.00 H new ATOM 0 HB2 ASP A 38 13.425 -13.530 -7.963 1.00 0.00 H new ATOM 0 HB3 ASP A 38 14.996 -12.831 -7.626 1.00 0.00 H new ATOM 599 N ASN A 39 14.975 -10.371 -5.650 1.00 0.00 N ATOM 600 CA ASN A 39 15.591 -9.786 -4.463 1.00 0.00 C ATOM 601 C ASN A 39 14.798 -8.575 -3.979 1.00 0.00 C ATOM 602 O ASN A 39 15.363 -7.509 -3.736 1.00 0.00 O ATOM 603 CB ASN A 39 17.035 -9.378 -4.762 1.00 0.00 C ATOM 604 CG ASN A 39 17.925 -9.461 -3.537 1.00 0.00 C ATOM 605 OD1 ASN A 39 18.983 -10.089 -3.565 1.00 0.00 O ATOM 606 ND2 ASN A 39 17.497 -8.824 -2.452 1.00 0.00 N ATOM 0 H ASN A 39 15.454 -10.154 -6.524 1.00 0.00 H new ATOM 0 HA ASN A 39 15.588 -10.538 -3.674 1.00 0.00 H new ATOM 0 HB2 ASN A 39 17.437 -10.022 -5.544 1.00 0.00 H new ATOM 0 HB3 ASN A 39 17.049 -8.359 -5.149 1.00 0.00 H new ATOM 0 HD21 ASN A 39 18.053 -8.843 -1.597 1.00 0.00 H new ATOM 0 HD22 ASN A 39 16.613 -8.316 -2.475 1.00 0.00 H new ATOM 613 N GLN A 40 13.488 -8.750 -3.842 1.00 0.00 N ATOM 614 CA GLN A 40 12.618 -7.671 -3.387 1.00 0.00 C ATOM 615 C GLN A 40 12.560 -7.626 -1.863 1.00 0.00 C ATOM 616 O GLN A 40 12.484 -6.551 -1.269 1.00 0.00 O ATOM 617 CB GLN A 40 11.210 -7.848 -3.957 1.00 0.00 C ATOM 618 CG GLN A 40 11.006 -7.161 -5.298 1.00 0.00 C ATOM 619 CD GLN A 40 9.938 -7.829 -6.141 1.00 0.00 C ATOM 620 OE1 GLN A 40 8.753 -7.512 -6.026 1.00 0.00 O ATOM 621 NE2 GLN A 40 10.351 -8.760 -6.992 1.00 0.00 N ATOM 0 H GLN A 40 13.006 -9.627 -4.039 1.00 0.00 H new ATOM 0 HA GLN A 40 13.032 -6.728 -3.746 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.003 -8.912 -4.068 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.486 -7.455 -3.243 1.00 0.00 H new ATOM 0 HG2 GLN A 40 10.732 -6.119 -5.130 1.00 0.00 H new ATOM 0 HG3 GLN A 40 11.948 -7.158 -5.847 1.00 0.00 H new ATOM 0 HE21 GLN A 40 11.343 -8.991 -7.054 1.00 0.00 H new ATOM 0 HE22 GLN A 40 9.677 -9.245 -7.584 1.00 0.00 H new ATOM 630 N GLU A 41 12.595 -8.799 -1.239 1.00 0.00 N ATOM 631 CA GLU A 41 12.545 -8.891 0.215 1.00 0.00 C ATOM 632 C GLU A 41 13.468 -7.860 0.858 1.00 0.00 C ATOM 633 O GLU A 41 13.128 -7.256 1.875 1.00 0.00 O ATOM 634 CB GLU A 41 12.937 -10.298 0.673 1.00 0.00 C ATOM 635 CG GLU A 41 11.820 -11.318 0.527 1.00 0.00 C ATOM 636 CD GLU A 41 10.846 -11.286 1.689 1.00 0.00 C ATOM 637 OE1 GLU A 41 10.322 -10.194 1.994 1.00 0.00 O ATOM 638 OE2 GLU A 41 10.607 -12.352 2.293 1.00 0.00 O ATOM 0 H GLU A 41 12.658 -9.698 -1.717 1.00 0.00 H new ATOM 0 HA GLU A 41 11.522 -8.685 0.531 1.00 0.00 H new ATOM 0 HB2 GLU A 41 13.800 -10.631 0.097 1.00 0.00 H new ATOM 0 HB3 GLU A 41 13.247 -10.258 1.717 1.00 0.00 H new ATOM 0 HG2 GLU A 41 11.280 -11.129 -0.401 1.00 0.00 H new ATOM 0 HG3 GLU A 41 12.252 -12.316 0.447 1.00 0.00 H new ATOM 645 N GLN A 42 14.637 -7.665 0.257 1.00 0.00 N ATOM 646 CA GLN A 42 15.611 -6.708 0.771 1.00 0.00 C ATOM 647 C GLN A 42 14.957 -5.355 1.031 1.00 0.00 C ATOM 648 O GLN A 42 15.237 -4.702 2.037 1.00 0.00 O ATOM 649 CB GLN A 42 16.769 -6.548 -0.214 1.00 0.00 C ATOM 650 CG GLN A 42 16.546 -5.452 -1.243 1.00 0.00 C ATOM 651 CD GLN A 42 17.683 -5.346 -2.240 1.00 0.00 C ATOM 652 OE1 GLN A 42 18.840 -5.162 -1.861 1.00 0.00 O ATOM 653 NE2 GLN A 42 17.360 -5.461 -3.522 1.00 0.00 N ATOM 0 H GLN A 42 14.933 -8.157 -0.586 1.00 0.00 H new ATOM 0 HA GLN A 42 15.998 -7.092 1.715 1.00 0.00 H new ATOM 0 HB2 GLN A 42 17.681 -6.332 0.342 1.00 0.00 H new ATOM 0 HB3 GLN A 42 16.928 -7.494 -0.732 1.00 0.00 H new ATOM 0 HG2 GLN A 42 15.616 -5.645 -1.778 1.00 0.00 H new ATOM 0 HG3 GLN A 42 16.427 -4.497 -0.731 1.00 0.00 H new ATOM 0 HE21 GLN A 42 16.388 -5.613 -3.791 1.00 0.00 H new ATOM 0 HE22 GLN A 42 18.084 -5.397 -4.238 1.00 0.00 H new ATOM 662 N TYR A 43 14.086 -4.939 0.119 1.00 0.00 N ATOM 663 CA TYR A 43 13.395 -3.660 0.248 1.00 0.00 C ATOM 664 C TYR A 43 12.527 -3.636 1.501 1.00 0.00 C ATOM 665 O TYR A 43 11.890 -4.631 1.851 1.00 0.00 O ATOM 666 CB TYR A 43 12.535 -3.395 -0.988 1.00 0.00 C ATOM 667 CG TYR A 43 13.338 -3.045 -2.221 1.00 0.00 C ATOM 668 CD1 TYR A 43 13.827 -4.037 -3.060 1.00 0.00 C ATOM 669 CD2 TYR A 43 13.605 -1.721 -2.547 1.00 0.00 C ATOM 670 CE1 TYR A 43 14.561 -3.721 -4.187 1.00 0.00 C ATOM 671 CE2 TYR A 43 14.338 -1.395 -3.672 1.00 0.00 C ATOM 672 CZ TYR A 43 14.814 -2.399 -4.489 1.00 0.00 C ATOM 673 OH TYR A 43 15.544 -2.081 -5.611 1.00 0.00 O ATOM 0 H TYR A 43 13.841 -5.468 -0.718 1.00 0.00 H new ATOM 0 HA TYR A 43 14.147 -2.875 0.334 1.00 0.00 H new ATOM 0 HB2 TYR A 43 11.931 -4.278 -1.196 1.00 0.00 H new ATOM 0 HB3 TYR A 43 11.844 -2.580 -0.772 1.00 0.00 H new ATOM 0 HD1 TYR A 43 13.630 -5.073 -2.828 1.00 0.00 H new ATOM 0 HD2 TYR A 43 13.233 -0.933 -1.910 1.00 0.00 H new ATOM 0 HE1 TYR A 43 14.935 -4.505 -4.828 1.00 0.00 H new ATOM 0 HE2 TYR A 43 14.537 -0.361 -3.910 1.00 0.00 H new ATOM 0 HH TYR A 43 15.631 -1.107 -5.680 1.00 0.00 H new ATOM 683 N THR A 44 12.505 -2.490 2.175 1.00 0.00 N ATOM 684 CA THR A 44 11.716 -2.333 3.390 1.00 0.00 C ATOM 685 C THR A 44 10.460 -1.509 3.129 1.00 0.00 C ATOM 686 O THR A 44 10.170 -1.147 1.987 1.00 0.00 O ATOM 687 CB THR A 44 12.534 -1.661 4.510 1.00 0.00 C ATOM 688 OG1 THR A 44 12.884 -0.327 4.125 1.00 0.00 O ATOM 689 CG2 THR A 44 13.794 -2.456 4.810 1.00 0.00 C ATOM 0 H THR A 44 13.025 -1.657 1.899 1.00 0.00 H new ATOM 0 HA THR A 44 11.430 -3.335 3.711 1.00 0.00 H new ATOM 0 HB THR A 44 11.921 -1.630 5.411 1.00 0.00 H new ATOM 0 HG1 THR A 44 13.402 0.095 4.842 1.00 0.00 H new ATOM 0 HG21 THR A 44 14.355 -1.963 5.604 1.00 0.00 H new ATOM 0 HG22 THR A 44 13.522 -3.462 5.129 1.00 0.00 H new ATOM 0 HG23 THR A 44 14.410 -2.514 3.912 1.00 0.00 H new ATOM 697 N THR A 45 9.720 -1.212 4.192 1.00 0.00 N ATOM 698 CA THR A 45 8.495 -0.430 4.076 1.00 0.00 C ATOM 699 C THR A 45 8.805 1.042 3.827 1.00 0.00 C ATOM 700 O THR A 45 8.013 1.756 3.211 1.00 0.00 O ATOM 701 CB THR A 45 7.628 -0.553 5.343 1.00 0.00 C ATOM 702 OG1 THR A 45 8.443 -0.400 6.511 1.00 0.00 O ATOM 703 CG2 THR A 45 6.919 -1.899 5.385 1.00 0.00 C ATOM 0 H THR A 45 9.947 -1.501 5.143 1.00 0.00 H new ATOM 0 HA THR A 45 7.942 -0.831 3.227 1.00 0.00 H new ATOM 0 HB THR A 45 6.876 0.235 5.320 1.00 0.00 H new ATOM 0 HG1 THR A 45 7.884 -0.478 7.312 1.00 0.00 H new ATOM 0 HG21 THR A 45 6.313 -1.963 6.289 1.00 0.00 H new ATOM 0 HG22 THR A 45 6.277 -2.000 4.510 1.00 0.00 H new ATOM 0 HG23 THR A 45 7.658 -2.700 5.387 1.00 0.00 H new ATOM 711 N ILE A 46 9.959 1.489 4.309 1.00 0.00 N ATOM 712 CA ILE A 46 10.372 2.876 4.136 1.00 0.00 C ATOM 713 C ILE A 46 10.828 3.139 2.705 1.00 0.00 C ATOM 714 O ILE A 46 10.153 3.834 1.947 1.00 0.00 O ATOM 715 CB ILE A 46 11.513 3.247 5.103 1.00 0.00 C ATOM 716 CG1 ILE A 46 11.005 3.256 6.546 1.00 0.00 C ATOM 717 CG2 ILE A 46 12.099 4.603 4.734 1.00 0.00 C ATOM 718 CD1 ILE A 46 11.925 3.976 7.506 1.00 0.00 C ATOM 0 H ILE A 46 10.625 0.911 4.822 1.00 0.00 H new ATOM 0 HA ILE A 46 9.503 3.495 4.357 1.00 0.00 H new ATOM 0 HB ILE A 46 12.299 2.497 5.019 1.00 0.00 H new ATOM 0 HG12 ILE A 46 10.023 3.728 6.574 1.00 0.00 H new ATOM 0 HG13 ILE A 46 10.874 2.228 6.883 1.00 0.00 H new ATOM 0 HG21 ILE A 46 12.904 4.852 5.426 1.00 0.00 H new ATOM 0 HG22 ILE A 46 12.492 4.565 3.718 1.00 0.00 H new ATOM 0 HG23 ILE A 46 11.321 5.364 4.794 1.00 0.00 H new ATOM 0 HD11 ILE A 46 11.502 3.943 8.510 1.00 0.00 H new ATOM 0 HD12 ILE A 46 12.901 3.491 7.507 1.00 0.00 H new ATOM 0 HD13 ILE A 46 12.036 5.014 7.194 1.00 0.00 H new ATOM 730 N GLN A 47 11.977 2.578 2.342 1.00 0.00 N ATOM 731 CA GLN A 47 12.522 2.751 1.002 1.00 0.00 C ATOM 732 C GLN A 47 11.405 2.849 -0.032 1.00 0.00 C ATOM 733 O GLN A 47 11.313 3.829 -0.771 1.00 0.00 O ATOM 734 CB GLN A 47 13.455 1.591 0.653 1.00 0.00 C ATOM 735 CG GLN A 47 14.755 1.597 1.442 1.00 0.00 C ATOM 736 CD GLN A 47 15.683 0.465 1.048 1.00 0.00 C ATOM 737 OE1 GLN A 47 16.203 0.433 -0.069 1.00 0.00 O ATOM 738 NE2 GLN A 47 15.895 -0.474 1.963 1.00 0.00 N ATOM 0 H GLN A 47 12.548 2.000 2.958 1.00 0.00 H new ATOM 0 HA GLN A 47 13.090 3.681 0.986 1.00 0.00 H new ATOM 0 HB2 GLN A 47 12.935 0.650 0.833 1.00 0.00 H new ATOM 0 HB3 GLN A 47 13.686 1.629 -0.412 1.00 0.00 H new ATOM 0 HG2 GLN A 47 15.264 2.549 1.289 1.00 0.00 H new ATOM 0 HG3 GLN A 47 14.530 1.523 2.506 1.00 0.00 H new ATOM 0 HE21 GLN A 47 15.444 -0.408 2.875 1.00 0.00 H new ATOM 0 HE22 GLN A 47 16.509 -1.261 1.753 1.00 0.00 H new ATOM 747 N ILE A 48 10.558 1.827 -0.078 1.00 0.00 N ATOM 748 CA ILE A 48 9.446 1.798 -1.021 1.00 0.00 C ATOM 749 C ILE A 48 8.574 3.041 -0.879 1.00 0.00 C ATOM 750 O ILE A 48 8.166 3.641 -1.873 1.00 0.00 O ATOM 751 CB ILE A 48 8.573 0.545 -0.823 1.00 0.00 C ATOM 752 CG1 ILE A 48 9.423 -0.721 -0.945 1.00 0.00 C ATOM 753 CG2 ILE A 48 7.437 0.527 -1.834 1.00 0.00 C ATOM 754 CD1 ILE A 48 9.889 -1.002 -2.357 1.00 0.00 C ATOM 0 H ILE A 48 10.620 1.008 0.526 1.00 0.00 H new ATOM 0 HA ILE A 48 9.879 1.773 -2.021 1.00 0.00 H new ATOM 0 HB ILE A 48 8.142 0.575 0.178 1.00 0.00 H new ATOM 0 HG12 ILE A 48 10.293 -0.629 -0.295 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.846 -1.573 -0.585 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.829 -0.364 -1.682 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.819 1.415 -1.703 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.848 0.517 -2.843 1.00 0.00 H new ATOM 0 HD11 ILE A 48 10.486 -1.914 -2.368 1.00 0.00 H new ATOM 0 HD12 ILE A 48 9.024 -1.127 -3.008 1.00 0.00 H new ATOM 0 HD13 ILE A 48 10.494 -0.168 -2.713 1.00 0.00 H new ATOM 766 N ALA A 49 8.293 3.421 0.363 1.00 0.00 N ATOM 767 CA ALA A 49 7.472 4.594 0.635 1.00 0.00 C ATOM 768 C ALA A 49 8.018 5.824 -0.083 1.00 0.00 C ATOM 769 O ALA A 49 7.269 6.566 -0.718 1.00 0.00 O ATOM 770 CB ALA A 49 7.393 4.847 2.133 1.00 0.00 C ATOM 0 H ALA A 49 8.622 2.934 1.196 1.00 0.00 H new ATOM 0 HA ALA A 49 6.468 4.400 0.257 1.00 0.00 H new ATOM 0 HB1 ALA A 49 6.777 5.726 2.322 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.950 3.981 2.625 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.395 5.015 2.527 1.00 0.00 H new ATOM 776 N ASN A 50 9.325 6.035 0.024 1.00 0.00 N ATOM 777 CA ASN A 50 9.970 7.177 -0.614 1.00 0.00 C ATOM 778 C ASN A 50 9.835 7.099 -2.132 1.00 0.00 C ATOM 779 O ASN A 50 9.189 7.945 -2.752 1.00 0.00 O ATOM 780 CB ASN A 50 11.449 7.236 -0.226 1.00 0.00 C ATOM 781 CG ASN A 50 11.667 7.904 1.119 1.00 0.00 C ATOM 782 OD1 ASN A 50 11.558 9.124 1.244 1.00 0.00 O ATOM 783 ND2 ASN A 50 11.976 7.103 2.132 1.00 0.00 N ATOM 0 H ASN A 50 9.959 5.430 0.546 1.00 0.00 H new ATOM 0 HA ASN A 50 9.473 8.083 -0.268 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.855 6.225 -0.197 1.00 0.00 H new ATOM 0 HB3 ASN A 50 12.002 7.779 -0.992 1.00 0.00 H new ATOM 0 HD21 ASN A 50 12.134 7.493 3.061 1.00 0.00 H new ATOM 0 HD22 ASN A 50 12.055 6.097 1.981 1.00 0.00 H new ATOM 790 N MET A 51 10.448 6.079 -2.725 1.00 0.00 N ATOM 791 CA MET A 51 10.393 5.890 -4.169 1.00 0.00 C ATOM 792 C MET A 51 9.004 6.216 -4.709 1.00 0.00 C ATOM 793 O MET A 51 8.867 6.809 -5.779 1.00 0.00 O ATOM 794 CB MET A 51 10.769 4.452 -4.532 1.00 0.00 C ATOM 795 CG MET A 51 12.269 4.206 -4.567 1.00 0.00 C ATOM 796 SD MET A 51 12.718 2.798 -5.600 1.00 0.00 S ATOM 797 CE MET A 51 12.762 1.486 -4.382 1.00 0.00 C ATOM 0 H MET A 51 10.988 5.371 -2.227 1.00 0.00 H new ATOM 0 HA MET A 51 11.110 6.572 -4.626 1.00 0.00 H new ATOM 0 HB2 MET A 51 10.315 3.773 -3.810 1.00 0.00 H new ATOM 0 HB3 MET A 51 10.347 4.210 -5.507 1.00 0.00 H new ATOM 0 HG2 MET A 51 12.771 5.099 -4.939 1.00 0.00 H new ATOM 0 HG3 MET A 51 12.629 4.037 -3.552 1.00 0.00 H new ATOM 0 HE1 MET A 51 13.129 0.571 -4.846 1.00 0.00 H new ATOM 0 HE2 MET A 51 13.425 1.770 -3.565 1.00 0.00 H new ATOM 0 HE3 MET A 51 11.758 1.318 -3.992 1.00 0.00 H new ATOM 807 N MET A 52 7.977 5.826 -3.961 1.00 0.00 N ATOM 808 CA MET A 52 6.599 6.078 -4.365 1.00 0.00 C ATOM 809 C MET A 52 6.235 7.547 -4.172 1.00 0.00 C ATOM 810 O MET A 52 5.483 8.118 -4.960 1.00 0.00 O ATOM 811 CB MET A 52 5.640 5.195 -3.564 1.00 0.00 C ATOM 812 CG MET A 52 5.786 3.712 -3.864 1.00 0.00 C ATOM 813 SD MET A 52 4.553 2.707 -3.015 1.00 0.00 S ATOM 814 CE MET A 52 3.424 2.348 -4.359 1.00 0.00 C ATOM 0 H MET A 52 8.073 5.335 -3.072 1.00 0.00 H new ATOM 0 HA MET A 52 6.508 5.835 -5.424 1.00 0.00 H new ATOM 0 HB2 MET A 52 5.809 5.361 -2.500 1.00 0.00 H new ATOM 0 HB3 MET A 52 4.615 5.501 -3.775 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.701 3.553 -4.939 1.00 0.00 H new ATOM 0 HG3 MET A 52 6.783 3.382 -3.570 1.00 0.00 H new ATOM 0 HE1 MET A 52 3.101 1.309 -4.295 1.00 0.00 H new ATOM 0 HE2 MET A 52 2.556 3.003 -4.290 1.00 0.00 H new ATOM 0 HE3 MET A 52 3.928 2.513 -5.311 1.00 0.00 H new ATOM 824 N GLU A 53 6.776 8.152 -3.119 1.00 0.00 N ATOM 825 CA GLU A 53 6.507 9.555 -2.823 1.00 0.00 C ATOM 826 C GLU A 53 6.921 10.446 -3.992 1.00 0.00 C ATOM 827 O GLU A 53 6.257 11.437 -4.293 1.00 0.00 O ATOM 828 CB GLU A 53 7.247 9.982 -1.554 1.00 0.00 C ATOM 829 CG GLU A 53 6.494 9.665 -0.274 1.00 0.00 C ATOM 830 CD GLU A 53 7.417 9.469 0.913 1.00 0.00 C ATOM 831 OE1 GLU A 53 8.037 10.459 1.352 1.00 0.00 O ATOM 832 OE2 GLU A 53 7.519 8.325 1.402 1.00 0.00 O ATOM 0 H GLU A 53 7.402 7.693 -2.457 1.00 0.00 H new ATOM 0 HA GLU A 53 5.435 9.668 -2.664 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.218 9.487 -1.526 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.437 11.054 -1.598 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.797 10.474 -0.057 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.900 8.763 -0.420 1.00 0.00 H new ATOM 839 N GLU A 54 8.020 10.085 -4.644 1.00 0.00 N ATOM 840 CA GLU A 54 8.523 10.851 -5.777 1.00 0.00 C ATOM 841 C GLU A 54 7.969 10.307 -7.090 1.00 0.00 C ATOM 842 O GLU A 54 7.731 11.059 -8.036 1.00 0.00 O ATOM 843 CB GLU A 54 10.052 10.821 -5.804 1.00 0.00 C ATOM 844 CG GLU A 54 10.647 9.553 -5.218 1.00 0.00 C ATOM 845 CD GLU A 54 10.834 9.636 -3.715 1.00 0.00 C ATOM 846 OE1 GLU A 54 10.104 10.415 -3.069 1.00 0.00 O ATOM 847 OE2 GLU A 54 11.713 8.922 -3.186 1.00 0.00 O ATOM 0 H GLU A 54 8.580 9.266 -4.407 1.00 0.00 H new ATOM 0 HA GLU A 54 8.190 11.882 -5.662 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.391 10.928 -6.834 1.00 0.00 H new ATOM 0 HB3 GLU A 54 10.433 11.680 -5.252 1.00 0.00 H new ATOM 0 HG2 GLU A 54 9.998 8.709 -5.454 1.00 0.00 H new ATOM 0 HG3 GLU A 54 11.610 9.356 -5.690 1.00 0.00 H new ATOM 854 N LYS A 55 7.769 8.995 -7.143 1.00 0.00 N ATOM 855 CA LYS A 55 7.243 8.347 -8.339 1.00 0.00 C ATOM 856 C LYS A 55 5.800 8.770 -8.596 1.00 0.00 C ATOM 857 O LYS A 55 5.486 9.337 -9.643 1.00 0.00 O ATOM 858 CB LYS A 55 7.322 6.825 -8.196 1.00 0.00 C ATOM 859 CG LYS A 55 6.792 6.073 -9.404 1.00 0.00 C ATOM 860 CD LYS A 55 7.697 6.248 -10.612 1.00 0.00 C ATOM 861 CE LYS A 55 7.626 5.046 -11.541 1.00 0.00 C ATOM 862 NZ LYS A 55 8.231 3.833 -10.926 1.00 0.00 N ATOM 0 H LYS A 55 7.963 8.358 -6.370 1.00 0.00 H new ATOM 0 HA LYS A 55 7.851 8.658 -9.188 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.360 6.538 -8.026 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.759 6.522 -7.314 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.705 5.013 -9.164 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.790 6.429 -9.644 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.409 7.147 -11.156 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.725 6.392 -10.280 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.585 4.844 -11.794 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.142 5.276 -12.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.489 3.157 -11.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.083 4.102 -10.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.545 3.392 -10.281 1.00 0.00 H new ATOM 876 N PHE A 56 4.926 8.490 -7.635 1.00 0.00 N ATOM 877 CA PHE A 56 3.516 8.842 -7.759 1.00 0.00 C ATOM 878 C PHE A 56 3.128 9.904 -6.734 1.00 0.00 C ATOM 879 O PHE A 56 2.617 9.603 -5.655 1.00 0.00 O ATOM 880 CB PHE A 56 2.641 7.599 -7.579 1.00 0.00 C ATOM 881 CG PHE A 56 3.302 6.330 -8.034 1.00 0.00 C ATOM 882 CD1 PHE A 56 3.237 5.937 -9.362 1.00 0.00 C ATOM 883 CD2 PHE A 56 3.988 5.530 -7.136 1.00 0.00 C ATOM 884 CE1 PHE A 56 3.843 4.768 -9.782 1.00 0.00 C ATOM 885 CE2 PHE A 56 4.597 4.361 -7.551 1.00 0.00 C ATOM 886 CZ PHE A 56 4.525 3.980 -8.876 1.00 0.00 C ATOM 0 H PHE A 56 5.169 8.021 -6.762 1.00 0.00 H new ATOM 0 HA PHE A 56 3.355 9.250 -8.757 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.373 7.503 -6.527 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.712 7.735 -8.134 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.707 6.551 -10.076 1.00 0.00 H new ATOM 0 HD2 PHE A 56 4.048 5.823 -6.098 1.00 0.00 H new ATOM 0 HE1 PHE A 56 3.783 4.471 -10.819 1.00 0.00 H new ATOM 0 HE2 PHE A 56 5.129 3.746 -6.840 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.001 3.068 -9.203 1.00 0.00 H new ATOM 896 N PRO A 57 3.378 11.176 -7.077 1.00 0.00 N ATOM 897 CA PRO A 57 3.064 12.309 -6.202 1.00 0.00 C ATOM 898 C PRO A 57 1.562 12.537 -6.066 1.00 0.00 C ATOM 899 O PRO A 57 1.123 13.418 -5.327 1.00 0.00 O ATOM 900 CB PRO A 57 3.724 13.496 -6.907 1.00 0.00 C ATOM 901 CG PRO A 57 3.788 13.098 -8.340 1.00 0.00 C ATOM 902 CD PRO A 57 3.986 11.606 -8.348 1.00 0.00 C ATOM 0 HA PRO A 57 3.420 12.149 -5.184 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.142 14.408 -6.775 1.00 0.00 H new ATOM 0 HB3 PRO A 57 4.718 13.692 -6.506 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.872 13.373 -8.862 1.00 0.00 H new ATOM 0 HG3 PRO A 57 4.609 13.603 -8.849 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.499 11.140 -9.205 1.00 0.00 H new ATOM 0 HD3 PRO A 57 5.042 11.341 -8.399 1.00 0.00 H new ATOM 910 N ALA A 58 0.779 11.737 -6.782 1.00 0.00 N ATOM 911 CA ALA A 58 -0.674 11.851 -6.739 1.00 0.00 C ATOM 912 C ALA A 58 -1.227 11.306 -5.428 1.00 0.00 C ATOM 913 O ALA A 58 -1.903 12.019 -4.685 1.00 0.00 O ATOM 914 CB ALA A 58 -1.295 11.121 -7.921 1.00 0.00 C ATOM 0 H ALA A 58 1.126 11.003 -7.399 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.934 12.908 -6.802 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.380 11.214 -7.877 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.931 11.558 -8.851 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.019 10.067 -7.883 1.00 0.00 H new ATOM 920 N ASP A 59 -0.939 10.040 -5.149 1.00 0.00 N ATOM 921 CA ASP A 59 -1.409 9.400 -3.925 1.00 0.00 C ATOM 922 C ASP A 59 -0.235 8.927 -3.074 1.00 0.00 C ATOM 923 O ASP A 59 -0.423 8.388 -1.984 1.00 0.00 O ATOM 924 CB ASP A 59 -2.321 8.219 -4.261 1.00 0.00 C ATOM 925 CG ASP A 59 -3.144 8.459 -5.512 1.00 0.00 C ATOM 926 OD1 ASP A 59 -2.662 8.120 -6.613 1.00 0.00 O ATOM 927 OD2 ASP A 59 -4.269 8.985 -5.389 1.00 0.00 O ATOM 0 H ASP A 59 -0.382 9.436 -5.754 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.975 10.135 -3.353 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.715 7.323 -4.395 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.989 8.030 -3.421 1.00 0.00 H new ATOM 932 N SER A 60 0.977 9.131 -3.580 1.00 0.00 N ATOM 933 CA SER A 60 2.181 8.721 -2.869 1.00 0.00 C ATOM 934 C SER A 60 2.121 7.240 -2.507 1.00 0.00 C ATOM 935 O SER A 60 2.676 6.813 -1.495 1.00 0.00 O ATOM 936 CB SER A 60 2.362 9.560 -1.602 1.00 0.00 C ATOM 937 OG SER A 60 2.408 10.943 -1.910 1.00 0.00 O ATOM 0 H SER A 60 1.151 9.578 -4.480 1.00 0.00 H new ATOM 0 HA SER A 60 3.034 8.882 -3.528 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.541 9.365 -0.912 1.00 0.00 H new ATOM 0 HB3 SER A 60 3.281 9.266 -1.095 1.00 0.00 H new ATOM 0 HG SER A 60 2.522 11.458 -1.084 1.00 0.00 H new ATOM 943 N GLY A 61 1.442 6.460 -3.343 1.00 0.00 N ATOM 944 CA GLY A 61 1.320 5.035 -3.095 1.00 0.00 C ATOM 945 C GLY A 61 -0.020 4.664 -2.496 1.00 0.00 C ATOM 946 O GLY A 61 -0.500 3.543 -2.674 1.00 0.00 O ATOM 0 H GLY A 61 0.974 6.789 -4.187 1.00 0.00 H new ATOM 0 HA2 GLY A 61 1.459 4.493 -4.031 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.116 4.717 -2.422 1.00 0.00 H new ATOM 950 N LEU A 62 -0.629 5.604 -1.781 1.00 0.00 N ATOM 951 CA LEU A 62 -1.923 5.369 -1.152 1.00 0.00 C ATOM 952 C LEU A 62 -2.830 4.545 -2.060 1.00 0.00 C ATOM 953 O LEU A 62 -3.206 3.422 -1.725 1.00 0.00 O ATOM 954 CB LEU A 62 -2.596 6.700 -0.813 1.00 0.00 C ATOM 955 CG LEU A 62 -4.106 6.647 -0.573 1.00 0.00 C ATOM 956 CD1 LEU A 62 -4.415 5.918 0.726 1.00 0.00 C ATOM 957 CD2 LEU A 62 -4.693 8.052 -0.550 1.00 0.00 C ATOM 0 H LEU A 62 -0.247 6.536 -1.623 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.755 4.808 -0.233 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.121 7.108 0.079 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.402 7.400 -1.626 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.565 6.096 -1.394 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.494 5.890 0.880 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.030 4.900 0.672 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.943 6.441 1.558 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.768 7.994 -0.378 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.228 8.628 0.250 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.504 8.541 -1.506 1.00 0.00 H new ATOM 969 N GLY A 63 -3.175 5.110 -3.213 1.00 0.00 N ATOM 970 CA GLY A 63 -4.032 4.411 -4.153 1.00 0.00 C ATOM 971 C GLY A 63 -3.523 3.022 -4.482 1.00 0.00 C ATOM 972 O GLY A 63 -4.192 2.025 -4.204 1.00 0.00 O ATOM 0 H GLY A 63 -2.877 6.038 -3.513 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -5.037 4.337 -3.737 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.109 4.993 -5.071 1.00 0.00 H new ATOM 976 N LYS A 64 -2.336 2.953 -5.075 1.00 0.00 N ATOM 977 CA LYS A 64 -1.737 1.675 -5.441 1.00 0.00 C ATOM 978 C LYS A 64 -1.923 0.648 -4.330 1.00 0.00 C ATOM 979 O LYS A 64 -2.173 -0.530 -4.594 1.00 0.00 O ATOM 980 CB LYS A 64 -0.246 1.855 -5.740 1.00 0.00 C ATOM 981 CG LYS A 64 0.309 0.821 -6.704 1.00 0.00 C ATOM 982 CD LYS A 64 -0.012 1.174 -8.147 1.00 0.00 C ATOM 983 CE LYS A 64 1.069 2.051 -8.760 1.00 0.00 C ATOM 984 NZ LYS A 64 0.916 3.479 -8.366 1.00 0.00 N ATOM 0 H LYS A 64 -1.770 3.767 -5.312 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.240 1.310 -6.336 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.085 2.850 -6.155 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.312 1.805 -4.805 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.389 0.748 -6.578 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.106 -0.158 -6.467 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.116 0.260 -8.732 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.970 1.691 -8.192 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.049 1.691 -8.447 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.031 1.968 -9.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.457 4.080 -9.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.089 3.744 -8.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 1.273 3.612 -7.398 1.00 0.00 H new ATOM 998 N LEU A 65 -1.803 1.099 -3.087 1.00 0.00 N ATOM 999 CA LEU A 65 -1.959 0.219 -1.934 1.00 0.00 C ATOM 1000 C LEU A 65 -3.408 -0.235 -1.789 1.00 0.00 C ATOM 1001 O LEU A 65 -3.689 -1.431 -1.719 1.00 0.00 O ATOM 1002 CB LEU A 65 -1.505 0.930 -0.658 1.00 0.00 C ATOM 1003 CG LEU A 65 -1.361 0.053 0.585 1.00 0.00 C ATOM 1004 CD1 LEU A 65 -2.728 -0.302 1.150 1.00 0.00 C ATOM 1005 CD2 LEU A 65 -0.573 -1.207 0.260 1.00 0.00 C ATOM 0 H LEU A 65 -1.598 2.070 -2.851 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.335 -0.661 -2.093 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.545 1.407 -0.854 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.217 1.725 -0.436 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.813 0.615 1.341 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.605 -0.927 2.035 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.258 0.611 1.421 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.302 -0.845 0.399 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.480 -1.820 1.157 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.093 -1.772 -0.513 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.420 -0.933 -0.097 1.00 0.00 H new ATOM 1017 N ILE A 66 -4.323 0.728 -1.746 1.00 0.00 N ATOM 1018 CA ILE A 66 -5.743 0.426 -1.613 1.00 0.00 C ATOM 1019 C ILE A 66 -6.139 -0.755 -2.494 1.00 0.00 C ATOM 1020 O ILE A 66 -6.702 -1.737 -2.013 1.00 0.00 O ATOM 1021 CB ILE A 66 -6.614 1.642 -1.981 1.00 0.00 C ATOM 1022 CG1 ILE A 66 -6.557 2.691 -0.870 1.00 0.00 C ATOM 1023 CG2 ILE A 66 -8.049 1.207 -2.236 1.00 0.00 C ATOM 1024 CD1 ILE A 66 -7.037 4.059 -1.305 1.00 0.00 C ATOM 0 H ILE A 66 -4.106 1.723 -1.801 1.00 0.00 H new ATOM 0 HA ILE A 66 -5.915 0.170 -0.568 1.00 0.00 H new ATOM 0 HB ILE A 66 -6.223 2.088 -2.896 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -7.163 2.352 -0.030 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.531 2.772 -0.510 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.652 2.077 -2.495 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.072 0.492 -3.058 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -8.453 0.740 -1.338 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -6.969 4.752 -0.467 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -6.416 4.419 -2.125 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -8.073 3.992 -1.637 1.00 0.00 H new ATOM 1036 N GLU A 67 -5.839 -0.649 -3.785 1.00 0.00 N ATOM 1037 CA GLU A 67 -6.164 -1.709 -4.732 1.00 0.00 C ATOM 1038 C GLU A 67 -5.676 -3.063 -4.222 1.00 0.00 C ATOM 1039 O GLU A 67 -6.456 -4.006 -4.089 1.00 0.00 O ATOM 1040 CB GLU A 67 -5.541 -1.412 -6.098 1.00 0.00 C ATOM 1041 CG GLU A 67 -6.158 -0.214 -6.800 1.00 0.00 C ATOM 1042 CD GLU A 67 -5.447 0.134 -8.093 1.00 0.00 C ATOM 1043 OE1 GLU A 67 -4.233 0.422 -8.042 1.00 0.00 O ATOM 1044 OE2 GLU A 67 -6.103 0.119 -9.154 1.00 0.00 O ATOM 0 H GLU A 67 -5.372 0.158 -4.198 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.248 -1.748 -4.836 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.473 -1.237 -5.971 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.647 -2.290 -6.735 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.207 -0.422 -7.011 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.132 0.647 -6.132 1.00 0.00 H new ATOM 1051 N PHE A 68 -4.381 -3.150 -3.939 1.00 0.00 N ATOM 1052 CA PHE A 68 -3.787 -4.388 -3.447 1.00 0.00 C ATOM 1053 C PHE A 68 -4.710 -5.070 -2.440 1.00 0.00 C ATOM 1054 O PHE A 68 -4.926 -6.281 -2.502 1.00 0.00 O ATOM 1055 CB PHE A 68 -2.430 -4.105 -2.800 1.00 0.00 C ATOM 1056 CG PHE A 68 -1.843 -5.293 -2.093 1.00 0.00 C ATOM 1057 CD1 PHE A 68 -1.709 -6.507 -2.747 1.00 0.00 C ATOM 1058 CD2 PHE A 68 -1.427 -5.196 -0.775 1.00 0.00 C ATOM 1059 CE1 PHE A 68 -1.169 -7.603 -2.100 1.00 0.00 C ATOM 1060 CE2 PHE A 68 -0.887 -6.289 -0.123 1.00 0.00 C ATOM 1061 CZ PHE A 68 -0.758 -7.493 -0.786 1.00 0.00 C ATOM 0 H PHE A 68 -3.722 -2.378 -4.042 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.645 -5.057 -4.296 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.733 -3.769 -3.568 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -2.539 -3.287 -2.089 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -2.030 -6.598 -3.774 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.526 -4.257 -0.251 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.069 -8.544 -2.621 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.566 -6.201 0.905 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.336 -8.348 -0.278 1.00 0.00 H new ATOM 1071 N CYS A 69 -5.252 -4.285 -1.517 1.00 0.00 N ATOM 1072 CA CYS A 69 -6.150 -4.812 -0.496 1.00 0.00 C ATOM 1073 C CYS A 69 -7.401 -5.413 -1.131 1.00 0.00 C ATOM 1074 O CYS A 69 -7.749 -6.563 -0.868 1.00 0.00 O ATOM 1075 CB CYS A 69 -6.543 -3.708 0.488 1.00 0.00 C ATOM 1076 SG CYS A 69 -5.162 -3.063 1.461 1.00 0.00 S ATOM 0 H CYS A 69 -5.085 -3.281 -1.454 1.00 0.00 H new ATOM 0 HA CYS A 69 -5.624 -5.599 0.044 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -6.998 -2.887 -0.066 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -7.303 -4.095 1.167 1.00 0.00 H new ATOM 0 HG CYS A 69 -5.397 -3.251 2.726 1.00 0.00 H new ATOM 1082 N GLU A 70 -8.071 -4.624 -1.964 1.00 0.00 N ATOM 1083 CA GLU A 70 -9.284 -5.079 -2.634 1.00 0.00 C ATOM 1084 C GLU A 70 -9.173 -6.550 -3.023 1.00 0.00 C ATOM 1085 O GLU A 70 -9.985 -7.375 -2.607 1.00 0.00 O ATOM 1086 CB GLU A 70 -9.556 -4.230 -3.878 1.00 0.00 C ATOM 1087 CG GLU A 70 -9.821 -2.766 -3.570 1.00 0.00 C ATOM 1088 CD GLU A 70 -10.667 -2.090 -4.631 1.00 0.00 C ATOM 1089 OE1 GLU A 70 -11.562 -2.760 -5.190 1.00 0.00 O ATOM 1090 OE2 GLU A 70 -10.437 -0.894 -4.903 1.00 0.00 O ATOM 0 H GLU A 70 -7.796 -3.669 -2.191 1.00 0.00 H new ATOM 0 HA GLU A 70 -10.115 -4.967 -1.938 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.701 -4.302 -4.551 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -10.415 -4.642 -4.408 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -10.323 -2.687 -2.606 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -8.871 -2.240 -3.479 1.00 0.00 H new ATOM 1097 N GLU A 71 -8.162 -6.869 -3.823 1.00 0.00 N ATOM 1098 CA GLU A 71 -7.944 -8.240 -4.270 1.00 0.00 C ATOM 1099 C GLU A 71 -8.072 -9.218 -3.105 1.00 0.00 C ATOM 1100 O GLU A 71 -8.752 -10.240 -3.209 1.00 0.00 O ATOM 1101 CB GLU A 71 -6.564 -8.378 -4.917 1.00 0.00 C ATOM 1102 CG GLU A 71 -6.318 -7.386 -6.042 1.00 0.00 C ATOM 1103 CD GLU A 71 -7.302 -7.546 -7.185 1.00 0.00 C ATOM 1104 OE1 GLU A 71 -7.262 -8.598 -7.857 1.00 0.00 O ATOM 1105 OE2 GLU A 71 -8.108 -6.619 -7.408 1.00 0.00 O ATOM 0 H GLU A 71 -7.480 -6.197 -4.175 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.708 -8.479 -5.010 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -5.799 -8.245 -4.153 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.454 -9.390 -5.306 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.385 -6.372 -5.649 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -5.304 -7.515 -6.420 1.00 0.00 H new ATOM 1112 N VAL A 72 -7.413 -8.899 -1.996 1.00 0.00 N ATOM 1113 CA VAL A 72 -7.452 -9.747 -0.812 1.00 0.00 C ATOM 1114 C VAL A 72 -8.679 -9.443 0.041 1.00 0.00 C ATOM 1115 O VAL A 72 -8.875 -8.324 0.515 1.00 0.00 O ATOM 1116 CB VAL A 72 -6.186 -9.569 0.048 1.00 0.00 C ATOM 1117 CG1 VAL A 72 -6.113 -10.647 1.120 1.00 0.00 C ATOM 1118 CG2 VAL A 72 -4.942 -9.590 -0.826 1.00 0.00 C ATOM 0 H VAL A 72 -6.845 -8.058 -1.893 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.502 -10.778 -1.162 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.237 -8.600 0.544 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -5.212 -10.505 1.718 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.990 -10.580 1.764 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -6.084 -11.629 0.647 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.057 -9.463 -0.202 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -4.882 -10.543 -1.351 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.994 -8.779 -1.552 1.00 0.00 H new ATOM 1128 N PRO A 73 -9.526 -10.464 0.242 1.00 0.00 N ATOM 1129 CA PRO A 73 -10.749 -10.332 1.040 1.00 0.00 C ATOM 1130 C PRO A 73 -10.456 -10.153 2.525 1.00 0.00 C ATOM 1131 O PRO A 73 -11.371 -10.022 3.337 1.00 0.00 O ATOM 1132 CB PRO A 73 -11.478 -11.655 0.793 1.00 0.00 C ATOM 1133 CG PRO A 73 -10.401 -12.620 0.439 1.00 0.00 C ATOM 1134 CD PRO A 73 -9.356 -11.825 -0.293 1.00 0.00 C ATOM 0 HA PRO A 73 -11.327 -9.452 0.758 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -12.023 -11.978 1.680 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -12.206 -11.561 -0.013 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -9.983 -13.084 1.333 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -10.788 -13.425 -0.186 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -8.353 -12.209 -0.104 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -9.511 -11.855 -1.372 1.00 0.00 H new ATOM 1142 N ALA A 74 -9.173 -10.150 2.875 1.00 0.00 N ATOM 1143 CA ALA A 74 -8.760 -9.986 4.262 1.00 0.00 C ATOM 1144 C ALA A 74 -8.193 -8.592 4.505 1.00 0.00 C ATOM 1145 O ALA A 74 -7.918 -8.210 5.644 1.00 0.00 O ATOM 1146 CB ALA A 74 -7.736 -11.047 4.637 1.00 0.00 C ATOM 0 H ALA A 74 -8.402 -10.259 2.216 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.640 -10.107 4.894 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.436 -10.912 5.676 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -8.175 -12.037 4.511 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.862 -10.953 3.992 1.00 0.00 H new ATOM 1152 N LEU A 75 -8.017 -7.834 3.428 1.00 0.00 N ATOM 1153 CA LEU A 75 -7.480 -6.481 3.523 1.00 0.00 C ATOM 1154 C LEU A 75 -8.511 -5.453 3.068 1.00 0.00 C ATOM 1155 O LEU A 75 -8.393 -4.265 3.367 1.00 0.00 O ATOM 1156 CB LEU A 75 -6.210 -6.353 2.680 1.00 0.00 C ATOM 1157 CG LEU A 75 -5.017 -7.196 3.133 1.00 0.00 C ATOM 1158 CD1 LEU A 75 -3.843 -7.009 2.186 1.00 0.00 C ATOM 1159 CD2 LEU A 75 -4.620 -6.835 4.557 1.00 0.00 C ATOM 0 H LEU A 75 -8.238 -8.134 2.478 1.00 0.00 H new ATOM 0 HA LEU A 75 -7.236 -6.287 4.567 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.451 -6.623 1.652 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.907 -5.306 2.671 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.309 -8.246 3.114 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.003 -7.616 2.524 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.133 -7.317 1.182 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.550 -5.959 2.173 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.770 -7.444 4.863 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.346 -5.781 4.602 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.459 -7.021 5.227 1.00 0.00 H new ATOM 1171 N ARG A 76 -9.524 -5.919 2.344 1.00 0.00 N ATOM 1172 CA ARG A 76 -10.577 -5.041 1.849 1.00 0.00 C ATOM 1173 C ARG A 76 -11.006 -4.046 2.923 1.00 0.00 C ATOM 1174 O ARG A 76 -11.190 -2.860 2.650 1.00 0.00 O ATOM 1175 CB ARG A 76 -11.783 -5.863 1.389 1.00 0.00 C ATOM 1176 CG ARG A 76 -11.722 -6.266 -0.075 1.00 0.00 C ATOM 1177 CD ARG A 76 -12.973 -7.021 -0.497 1.00 0.00 C ATOM 1178 NE ARG A 76 -14.185 -6.232 -0.291 1.00 0.00 N ATOM 1179 CZ ARG A 76 -15.392 -6.623 -0.682 1.00 0.00 C ATOM 1180 NH1 ARG A 76 -15.549 -7.789 -1.295 1.00 0.00 N ATOM 1181 NH2 ARG A 76 -16.446 -5.849 -0.459 1.00 0.00 N ATOM 0 H ARG A 76 -9.637 -6.900 2.087 1.00 0.00 H new ATOM 0 HA ARG A 76 -10.181 -4.484 1.000 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -11.855 -6.762 2.002 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -12.692 -5.287 1.561 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -11.606 -5.376 -0.694 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -10.844 -6.889 -0.246 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -12.893 -7.295 -1.549 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -13.044 -7.949 0.070 1.00 0.00 H new ATOM 0 HE ARG A 76 -14.099 -5.331 0.179 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -14.741 -8.388 -1.467 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -16.477 -8.087 -1.594 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -16.330 -4.952 0.013 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -17.373 -6.150 -0.760 1.00 0.00 H new ATOM 1195 N LYS A 77 -11.166 -4.538 4.148 1.00 0.00 N ATOM 1196 CA LYS A 77 -11.572 -3.694 5.265 1.00 0.00 C ATOM 1197 C LYS A 77 -10.633 -2.501 5.416 1.00 0.00 C ATOM 1198 O LYS A 77 -11.071 -1.385 5.692 1.00 0.00 O ATOM 1199 CB LYS A 77 -11.596 -4.505 6.562 1.00 0.00 C ATOM 1200 CG LYS A 77 -11.898 -3.672 7.795 1.00 0.00 C ATOM 1201 CD LYS A 77 -12.408 -4.534 8.938 1.00 0.00 C ATOM 1202 CE LYS A 77 -12.687 -3.702 10.181 1.00 0.00 C ATOM 1203 NZ LYS A 77 -11.436 -3.361 10.912 1.00 0.00 N ATOM 0 H LYS A 77 -11.020 -5.518 4.392 1.00 0.00 H new ATOM 0 HA LYS A 77 -12.575 -3.320 5.059 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -12.344 -5.293 6.474 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -10.631 -4.995 6.692 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -10.997 -3.145 8.109 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -12.642 -2.914 7.550 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -13.319 -5.047 8.630 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -11.672 -5.304 9.171 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -13.203 -2.785 9.896 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -13.356 -4.251 10.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -11.668 -2.794 11.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -10.957 -4.236 11.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -10.808 -2.815 10.289 1.00 0.00 H new ATOM 1217 N ARG A 78 -9.339 -2.746 5.231 1.00 0.00 N ATOM 1218 CA ARG A 78 -8.339 -1.691 5.347 1.00 0.00 C ATOM 1219 C ARG A 78 -8.418 -0.734 4.161 1.00 0.00 C ATOM 1220 O ARG A 78 -8.298 0.479 4.322 1.00 0.00 O ATOM 1221 CB ARG A 78 -6.937 -2.298 5.434 1.00 0.00 C ATOM 1222 CG ARG A 78 -5.918 -1.381 6.091 1.00 0.00 C ATOM 1223 CD ARG A 78 -6.033 -1.414 7.607 1.00 0.00 C ATOM 1224 NE ARG A 78 -5.362 -2.576 8.182 1.00 0.00 N ATOM 1225 CZ ARG A 78 -5.616 -3.044 9.398 1.00 0.00 C ATOM 1226 NH1 ARG A 78 -6.523 -2.452 10.164 1.00 0.00 N ATOM 1227 NH2 ARG A 78 -4.964 -4.107 9.852 1.00 0.00 N ATOM 0 H ARG A 78 -8.959 -3.664 5.001 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.543 -1.129 6.259 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.988 -3.232 5.994 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -6.595 -2.547 4.430 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.913 -1.681 5.795 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.063 -0.361 5.736 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.601 -0.504 8.023 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -7.085 -1.426 7.890 1.00 0.00 H new ATOM 0 HE ARG A 78 -4.659 -3.055 7.618 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -7.027 -1.635 9.819 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -6.716 -2.814 11.098 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -4.266 -4.566 9.266 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -5.161 -4.465 10.787 1.00 0.00 H new ATOM 1241 N ALA A 79 -8.621 -1.290 2.972 1.00 0.00 N ATOM 1242 CA ALA A 79 -8.717 -0.486 1.759 1.00 0.00 C ATOM 1243 C ALA A 79 -9.737 0.635 1.924 1.00 0.00 C ATOM 1244 O ALA A 79 -9.382 1.814 1.927 1.00 0.00 O ATOM 1245 CB ALA A 79 -9.082 -1.364 0.572 1.00 0.00 C ATOM 0 H ALA A 79 -8.722 -2.294 2.822 1.00 0.00 H new ATOM 0 HA ALA A 79 -7.743 -0.032 1.575 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.150 -0.751 -0.327 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.315 -2.126 0.434 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.043 -1.845 0.757 1.00 0.00 H new ATOM 1251 N GLU A 80 -11.006 0.261 2.061 1.00 0.00 N ATOM 1252 CA GLU A 80 -12.076 1.237 2.224 1.00 0.00 C ATOM 1253 C GLU A 80 -11.692 2.299 3.250 1.00 0.00 C ATOM 1254 O GLU A 80 -11.774 3.498 2.978 1.00 0.00 O ATOM 1255 CB GLU A 80 -13.368 0.541 2.655 1.00 0.00 C ATOM 1256 CG GLU A 80 -13.254 -0.191 3.982 1.00 0.00 C ATOM 1257 CD GLU A 80 -14.424 -1.119 4.240 1.00 0.00 C ATOM 1258 OE1 GLU A 80 -14.520 -2.159 3.555 1.00 0.00 O ATOM 1259 OE2 GLU A 80 -15.244 -0.806 5.129 1.00 0.00 O ATOM 0 H GLU A 80 -11.317 -0.710 2.062 1.00 0.00 H new ATOM 0 HA GLU A 80 -12.237 1.726 1.263 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -14.163 1.283 2.726 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.663 -0.169 1.882 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -12.329 -0.767 3.996 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -13.188 0.538 4.790 1.00 0.00 H new ATOM 1266 N ILE A 81 -11.273 1.852 4.429 1.00 0.00 N ATOM 1267 CA ILE A 81 -10.875 2.764 5.494 1.00 0.00 C ATOM 1268 C ILE A 81 -9.900 3.818 4.980 1.00 0.00 C ATOM 1269 O ILE A 81 -9.944 4.976 5.398 1.00 0.00 O ATOM 1270 CB ILE A 81 -10.224 2.008 6.667 1.00 0.00 C ATOM 1271 CG1 ILE A 81 -11.232 1.052 7.308 1.00 0.00 C ATOM 1272 CG2 ILE A 81 -9.689 2.991 7.698 1.00 0.00 C ATOM 1273 CD1 ILE A 81 -10.596 0.021 8.214 1.00 0.00 C ATOM 0 H ILE A 81 -11.200 0.864 4.671 1.00 0.00 H new ATOM 0 HA ILE A 81 -11.783 3.254 5.846 1.00 0.00 H new ATOM 0 HB ILE A 81 -9.389 1.422 6.284 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -11.955 1.631 7.882 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -11.786 0.540 6.521 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -9.232 2.442 8.521 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.943 3.636 7.233 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -10.508 3.600 8.079 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -11.370 -0.622 8.633 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -9.893 -0.584 7.640 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -10.066 0.525 9.022 1.00 0.00 H new ATOM 1285 N LEU A 82 -9.022 3.411 4.070 1.00 0.00 N ATOM 1286 CA LEU A 82 -8.037 4.321 3.497 1.00 0.00 C ATOM 1287 C LEU A 82 -8.688 5.263 2.489 1.00 0.00 C ATOM 1288 O LEU A 82 -8.188 6.359 2.234 1.00 0.00 O ATOM 1289 CB LEU A 82 -6.916 3.530 2.821 1.00 0.00 C ATOM 1290 CG LEU A 82 -6.067 2.650 3.740 1.00 0.00 C ATOM 1291 CD1 LEU A 82 -5.433 1.513 2.954 1.00 0.00 C ATOM 1292 CD2 LEU A 82 -4.998 3.481 4.436 1.00 0.00 C ATOM 0 H LEU A 82 -8.972 2.457 3.713 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.616 4.918 4.306 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.358 2.897 2.052 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.256 4.234 2.314 1.00 0.00 H new ATOM 0 HG LEU A 82 -6.717 2.219 4.501 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -4.833 0.898 3.624 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -6.215 0.902 2.503 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.796 1.923 2.170 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.404 2.839 5.086 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.351 3.940 3.689 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.473 4.260 5.032 1.00 0.00 H new ATOM 1304 N LYS A 83 -9.808 4.830 1.920 1.00 0.00 N ATOM 1305 CA LYS A 83 -10.531 5.636 0.943 1.00 0.00 C ATOM 1306 C LYS A 83 -11.395 6.686 1.636 1.00 0.00 C ATOM 1307 O LYS A 83 -11.468 7.833 1.195 1.00 0.00 O ATOM 1308 CB LYS A 83 -11.406 4.742 0.061 1.00 0.00 C ATOM 1309 CG LYS A 83 -10.684 3.513 -0.463 1.00 0.00 C ATOM 1310 CD LYS A 83 -11.439 2.871 -1.615 1.00 0.00 C ATOM 1311 CE LYS A 83 -12.438 1.836 -1.120 1.00 0.00 C ATOM 1312 NZ LYS A 83 -13.226 1.246 -2.237 1.00 0.00 N ATOM 0 H LYS A 83 -10.235 3.925 2.119 1.00 0.00 H new ATOM 0 HA LYS A 83 -9.799 6.148 0.318 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -12.279 4.425 0.632 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -11.772 5.326 -0.783 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -9.683 3.791 -0.793 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -10.564 2.789 0.343 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -11.962 3.641 -2.182 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -10.732 2.398 -2.296 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -11.908 1.044 -0.592 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -13.116 2.299 -0.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -13.895 0.546 -1.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -13.752 1.998 -2.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -12.582 0.781 -2.909 1.00 0.00 H new ATOM 1326 N LYS A 84 -12.046 6.286 2.723 1.00 0.00 N ATOM 1327 CA LYS A 84 -12.902 7.192 3.478 1.00 0.00 C ATOM 1328 C LYS A 84 -12.208 8.530 3.712 1.00 0.00 C ATOM 1329 O LYS A 84 -12.841 9.584 3.669 1.00 0.00 O ATOM 1330 CB LYS A 84 -13.287 6.563 4.819 1.00 0.00 C ATOM 1331 CG LYS A 84 -13.965 7.533 5.772 1.00 0.00 C ATOM 1332 CD LYS A 84 -14.356 6.852 7.074 1.00 0.00 C ATOM 1333 CE LYS A 84 -13.157 6.680 7.994 1.00 0.00 C ATOM 1334 NZ LYS A 84 -13.566 6.280 9.369 1.00 0.00 N ATOM 0 H LYS A 84 -11.997 5.340 3.101 1.00 0.00 H new ATOM 0 HA LYS A 84 -13.805 7.370 2.894 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -13.953 5.719 4.638 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -12.391 6.165 5.295 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -13.295 8.366 5.983 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -14.853 7.950 5.297 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -15.122 7.441 7.579 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -14.794 5.877 6.859 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -12.487 5.926 7.581 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -12.597 7.614 8.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -12.721 6.173 9.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -14.185 7.011 9.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -14.079 5.376 9.330 1.00 0.00 H new ATOM 1348 N GLU A 85 -10.902 8.478 3.958 1.00 0.00 N ATOM 1349 CA GLU A 85 -10.122 9.686 4.198 1.00 0.00 C ATOM 1350 C GLU A 85 -9.710 10.338 2.882 1.00 0.00 C ATOM 1351 O GLU A 85 -9.821 11.553 2.716 1.00 0.00 O ATOM 1352 CB GLU A 85 -8.880 9.361 5.031 1.00 0.00 C ATOM 1353 CG GLU A 85 -9.192 8.993 6.472 1.00 0.00 C ATOM 1354 CD GLU A 85 -7.943 8.721 7.288 1.00 0.00 C ATOM 1355 OE1 GLU A 85 -6.975 9.501 7.169 1.00 0.00 O ATOM 1356 OE2 GLU A 85 -7.934 7.729 8.046 1.00 0.00 O ATOM 0 H GLU A 85 -10.363 7.613 3.996 1.00 0.00 H new ATOM 0 HA GLU A 85 -10.747 10.388 4.750 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -8.344 8.536 4.562 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -8.211 10.222 5.021 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -9.755 9.803 6.936 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -9.831 8.110 6.487 1.00 0.00 H new