USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 613 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 14 LYS NZ :NH3+ -172:sc= 1.15 (180deg=0.91) USER MOD Single : A 21 SER OG : rot -62:sc= 0.347 USER MOD Single : A 22 CYS SG : rot 180:sc= -0.459 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -1.04 X(o=-1,f=-0.63) USER MOD Single : A 29 ASN : amide:sc= 0.895 K(o=0.89,f=-0.0073) USER MOD Single : A 32 SER OG : rot -27:sc= 0.198 USER MOD Single : A 34 CYS SG : rot -107:sc= 0.0681 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HE2:sc= 0.607 K(o=0.61,f=-2.2!) USER MOD Single : A 44 HIS : no HD1:sc= -0.589 X(o=-0.59,f=-0.23) USER MOD Single : A 63 SER OG : rot 180:sc=-0.00781 USER MOD Single : A 68 LYS NZ :NH3+ -118:sc= 0.609 (180deg=0) USER MOD Single : A 69 MET CE :methyl -174:sc= -0.367 (180deg=-0.478) USER MOD Single : A 72 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.149) USER MOD Single : A 73 LYS NZ :NH3+ -165:sc= 1.22 (180deg=0.723) USER MOD Single : A 77 SER OG : rot 180:sc= 0.434 USER MOD Single : A 78 MET CE :methyl 157:sc= -1.07 (180deg=-2.22!) USER MOD Single : A 80 HIS :FLIP no HD1:sc= -0.167 F(o=-0.73,f=-0.17) USER MOD Single : A 82 TYR OH : rot -13:sc= 0.192 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0.0579 USER MOD Single : A 89 HIS : no HD1:sc= -0.112 K(o=-0.11,f=-1.1) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl -153:sc= -0.614 (180deg=-0.913) USER MOD Single : A 98 LYS NZ :NH3+ 159:sc= 1.23 (180deg=0.814) USER MOD ----------------------------------------------------------------- ATOM 126 N PHE A 11 -12.487 -3.576 2.402 1.00 0.00 N ATOM 127 CA PHE A 11 -12.370 -3.116 1.029 1.00 0.00 C ATOM 128 C PHE A 11 -11.105 -2.274 0.883 1.00 0.00 C ATOM 129 O PHE A 11 -11.100 -1.256 0.198 1.00 0.00 O ATOM 130 CB PHE A 11 -13.640 -2.400 0.566 1.00 0.00 C ATOM 131 CG PHE A 11 -14.926 -3.132 0.887 1.00 0.00 C ATOM 132 CD1 PHE A 11 -14.953 -4.533 0.946 1.00 0.00 C ATOM 133 CD2 PHE A 11 -16.097 -2.401 1.128 1.00 0.00 C ATOM 134 CE1 PHE A 11 -16.149 -5.200 1.246 1.00 0.00 C ATOM 135 CE2 PHE A 11 -17.293 -3.068 1.429 1.00 0.00 C ATOM 136 CZ PHE A 11 -17.318 -4.468 1.488 1.00 0.00 C ATOM 0 HA PHE A 11 -12.270 -3.973 0.363 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -13.674 -1.413 1.027 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -13.583 -2.247 -0.512 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -14.052 -5.098 0.760 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -16.078 -1.322 1.082 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -16.169 -6.279 1.290 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -18.194 -2.503 1.615 1.00 0.00 H new ATOM 0 HZ PHE A 11 -18.239 -4.982 1.720 1.00 0.00 H new ATOM 146 N VAL A 12 -10.027 -2.712 1.539 1.00 0.00 N ATOM 147 CA VAL A 12 -8.740 -2.029 1.509 1.00 0.00 C ATOM 148 C VAL A 12 -7.679 -2.985 0.979 1.00 0.00 C ATOM 149 O VAL A 12 -7.788 -4.199 1.146 1.00 0.00 O ATOM 150 CB VAL A 12 -8.355 -1.550 2.918 1.00 0.00 C ATOM 151 CG1 VAL A 12 -7.033 -0.782 2.903 1.00 0.00 C ATOM 152 CG2 VAL A 12 -9.417 -0.624 3.508 1.00 0.00 C ATOM 0 H VAL A 12 -10.028 -3.558 2.109 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.811 -1.159 0.856 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.264 -2.449 3.527 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -6.789 -0.457 3.915 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.240 -1.430 2.529 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.126 0.089 2.255 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.110 -0.306 4.504 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.533 0.251 2.868 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.367 -1.155 3.573 1.00 0.00 H new ATOM 162 N VAL A 13 -6.648 -2.431 0.338 1.00 0.00 N ATOM 163 CA VAL A 13 -5.508 -3.208 -0.132 1.00 0.00 C ATOM 164 C VAL A 13 -4.207 -2.468 0.155 1.00 0.00 C ATOM 165 O VAL A 13 -4.216 -1.293 0.521 1.00 0.00 O ATOM 166 CB VAL A 13 -5.623 -3.519 -1.629 1.00 0.00 C ATOM 167 CG1 VAL A 13 -6.843 -4.393 -1.907 1.00 0.00 C ATOM 168 CG2 VAL A 13 -5.716 -2.247 -2.473 1.00 0.00 C ATOM 0 H VAL A 13 -6.583 -1.434 0.132 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.504 -4.155 0.408 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.715 -4.053 -1.909 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.905 -4.602 -2.975 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.751 -5.331 -1.359 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.745 -3.872 -1.586 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.796 -2.514 -3.527 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.596 -1.677 -2.176 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.822 -1.642 -2.319 1.00 0.00 H new ATOM 178 N LYS A 14 -3.086 -3.170 -0.017 1.00 0.00 N ATOM 179 CA LYS A 14 -1.754 -2.617 0.173 1.00 0.00 C ATOM 180 C LYS A 14 -1.131 -2.333 -1.189 1.00 0.00 C ATOM 181 O LYS A 14 -1.555 -2.901 -2.192 1.00 0.00 O ATOM 182 CB LYS A 14 -0.871 -3.613 0.933 1.00 0.00 C ATOM 183 CG LYS A 14 -1.608 -4.285 2.093 1.00 0.00 C ATOM 184 CD LYS A 14 -0.651 -5.190 2.869 1.00 0.00 C ATOM 185 CE LYS A 14 -1.461 -6.124 3.764 1.00 0.00 C ATOM 186 NZ LYS A 14 -0.585 -7.010 4.550 1.00 0.00 N ATOM 0 H LYS A 14 -3.083 -4.151 -0.296 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.830 -1.695 0.750 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.514 -4.377 0.243 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.008 -3.095 1.317 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.024 -3.528 2.757 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.445 -4.870 1.712 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.038 -5.769 2.178 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.030 -4.589 3.472 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.084 -5.535 4.437 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.133 -6.725 3.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.162 -7.721 5.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.085 -7.489 3.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.058 -6.447 5.248 1.00 0.00 H new ATOM 200 N LEU A 15 -0.128 -1.456 -1.222 1.00 0.00 N ATOM 201 CA LEU A 15 0.614 -1.130 -2.423 1.00 0.00 C ATOM 202 C LEU A 15 2.082 -0.971 -2.031 1.00 0.00 C ATOM 203 O LEU A 15 2.386 -0.387 -0.993 1.00 0.00 O ATOM 204 CB LEU A 15 0.033 0.176 -2.965 1.00 0.00 C ATOM 205 CG LEU A 15 0.150 0.367 -4.475 1.00 0.00 C ATOM 206 CD1 LEU A 15 1.558 0.128 -5.014 1.00 0.00 C ATOM 207 CD2 LEU A 15 -0.828 -0.559 -5.195 1.00 0.00 C ATOM 0 H LEU A 15 0.191 -0.948 -0.397 1.00 0.00 H new ATOM 0 HA LEU A 15 0.542 -1.900 -3.191 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.020 0.227 -2.690 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.533 1.009 -2.471 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.092 1.412 -4.669 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.565 0.282 -6.093 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.251 0.825 -4.543 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.864 -0.894 -4.791 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.738 -0.417 -6.272 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.599 -1.595 -4.946 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.846 -0.327 -4.882 1.00 0.00 H new ATOM 219 N ARG A 16 2.993 -1.488 -2.855 1.00 0.00 N ATOM 220 CA ARG A 16 4.423 -1.448 -2.579 1.00 0.00 C ATOM 221 C ARG A 16 5.183 -1.536 -3.899 1.00 0.00 C ATOM 222 O ARG A 16 4.704 -2.158 -4.846 1.00 0.00 O ATOM 223 CB ARG A 16 4.765 -2.625 -1.656 1.00 0.00 C ATOM 224 CG ARG A 16 4.592 -3.957 -2.386 1.00 0.00 C ATOM 225 CD ARG A 16 4.287 -5.115 -1.439 1.00 0.00 C ATOM 226 NE ARG A 16 5.218 -5.192 -0.312 1.00 0.00 N ATOM 227 CZ ARG A 16 5.523 -6.326 0.323 1.00 0.00 C ATOM 228 NH1 ARG A 16 5.037 -7.496 -0.089 1.00 0.00 N ATOM 229 NH2 ARG A 16 6.326 -6.281 1.383 1.00 0.00 N ATOM 0 H ARG A 16 2.756 -1.947 -3.735 1.00 0.00 H new ATOM 0 HA ARG A 16 4.707 -0.519 -2.085 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.792 -2.530 -1.303 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.122 -2.601 -0.776 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.785 -3.866 -3.113 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.501 -4.180 -2.945 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.272 -5.008 -1.058 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.321 -6.051 -1.996 1.00 0.00 H new ATOM 0 HE ARG A 16 5.659 -4.329 0.007 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.422 -7.535 -0.901 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.280 -8.353 0.408 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.701 -5.387 1.701 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.567 -7.140 1.877 1.00 0.00 H new ATOM 243 N GLY A 17 6.364 -0.918 -3.972 1.00 0.00 N ATOM 244 CA GLY A 17 7.187 -0.989 -5.169 1.00 0.00 C ATOM 245 C GLY A 17 7.738 0.371 -5.579 1.00 0.00 C ATOM 246 O GLY A 17 7.699 1.317 -4.795 1.00 0.00 O ATOM 0 H GLY A 17 6.766 -0.365 -3.215 1.00 0.00 H new ATOM 0 HA2 GLY A 17 8.015 -1.676 -4.996 1.00 0.00 H new ATOM 0 HA3 GLY A 17 6.597 -1.400 -5.988 1.00 0.00 H new ATOM 250 N LEU A 18 8.245 0.438 -6.816 1.00 0.00 N ATOM 251 CA LEU A 18 8.869 1.617 -7.418 1.00 0.00 C ATOM 252 C LEU A 18 10.099 2.133 -6.660 1.00 0.00 C ATOM 253 O LEU A 18 10.183 2.018 -5.439 1.00 0.00 O ATOM 254 CB LEU A 18 7.830 2.730 -7.593 1.00 0.00 C ATOM 255 CG LEU A 18 6.692 2.330 -8.534 1.00 0.00 C ATOM 256 CD1 LEU A 18 5.850 3.565 -8.847 1.00 0.00 C ATOM 257 CD2 LEU A 18 7.257 1.752 -9.828 1.00 0.00 C ATOM 0 H LEU A 18 8.230 -0.362 -7.449 1.00 0.00 H new ATOM 0 HA LEU A 18 9.242 1.301 -8.392 1.00 0.00 H new ATOM 0 HB2 LEU A 18 7.416 2.992 -6.619 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.321 3.622 -7.981 1.00 0.00 H new ATOM 0 HG LEU A 18 6.074 1.571 -8.053 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.036 3.290 -9.517 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.438 3.968 -7.922 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.475 4.320 -9.325 1.00 0.00 H new ATOM 0 HD21 LEU A 18 6.437 1.471 -10.489 1.00 0.00 H new ATOM 0 HD22 LEU A 18 7.880 2.500 -10.319 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.858 0.872 -9.601 1.00 0.00 H new ATOM 269 N PRO A 19 11.067 2.712 -7.388 1.00 0.00 N ATOM 270 CA PRO A 19 12.333 3.181 -6.846 1.00 0.00 C ATOM 271 C PRO A 19 12.146 4.341 -5.872 1.00 0.00 C ATOM 272 O PRO A 19 12.001 5.493 -6.277 1.00 0.00 O ATOM 273 CB PRO A 19 13.181 3.575 -8.056 1.00 0.00 C ATOM 274 CG PRO A 19 12.143 3.928 -9.117 1.00 0.00 C ATOM 275 CD PRO A 19 11.010 2.950 -8.818 1.00 0.00 C ATOM 0 HA PRO A 19 12.823 2.404 -6.259 1.00 0.00 H new ATOM 0 HB2 PRO A 19 13.831 4.421 -7.833 1.00 0.00 H new ATOM 0 HB3 PRO A 19 13.824 2.756 -8.380 1.00 0.00 H new ATOM 0 HG2 PRO A 19 11.816 4.964 -9.034 1.00 0.00 H new ATOM 0 HG3 PRO A 19 12.535 3.797 -10.126 1.00 0.00 H new ATOM 0 HD2 PRO A 19 10.046 3.367 -9.108 1.00 0.00 H new ATOM 0 HD3 PRO A 19 11.136 2.022 -9.375 1.00 0.00 H new ATOM 283 N TRP A 20 12.154 4.002 -4.580 1.00 0.00 N ATOM 284 CA TRP A 20 12.060 4.914 -3.446 1.00 0.00 C ATOM 285 C TRP A 20 10.936 5.953 -3.512 1.00 0.00 C ATOM 286 O TRP A 20 10.915 6.852 -2.673 1.00 0.00 O ATOM 287 CB TRP A 20 13.397 5.639 -3.261 1.00 0.00 C ATOM 288 CG TRP A 20 14.602 4.840 -2.870 1.00 0.00 C ATOM 289 CD1 TRP A 20 15.856 5.341 -2.843 1.00 0.00 C ATOM 290 CD2 TRP A 20 14.730 3.445 -2.443 1.00 0.00 C ATOM 291 NE1 TRP A 20 16.744 4.377 -2.423 1.00 0.00 N ATOM 292 CE2 TRP A 20 16.099 3.195 -2.130 1.00 0.00 C ATOM 293 CE3 TRP A 20 13.834 2.377 -2.242 1.00 0.00 C ATOM 294 CZ2 TRP A 20 16.543 1.970 -1.626 1.00 0.00 C ATOM 295 CZ3 TRP A 20 14.273 1.160 -1.709 1.00 0.00 C ATOM 296 CH2 TRP A 20 15.618 0.953 -1.413 1.00 0.00 C ATOM 0 H TRP A 20 12.231 3.029 -4.285 1.00 0.00 H new ATOM 0 HA TRP A 20 11.813 4.276 -2.597 1.00 0.00 H new ATOM 0 HB2 TRP A 20 13.628 6.149 -4.196 1.00 0.00 H new ATOM 0 HB3 TRP A 20 13.252 6.410 -2.504 1.00 0.00 H new ATOM 0 HD1 TRP A 20 16.123 6.352 -3.112 1.00 0.00 H new ATOM 0 HE1 TRP A 20 17.751 4.519 -2.339 1.00 0.00 H new ATOM 0 HE3 TRP A 20 12.793 2.499 -2.503 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 17.589 1.815 -1.405 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 13.559 0.371 -1.525 1.00 0.00 H new ATOM 0 HH2 TRP A 20 15.943 0.002 -1.018 1.00 0.00 H new ATOM 307 N SER A 21 10.003 5.877 -4.465 1.00 0.00 N ATOM 308 CA SER A 21 8.984 6.913 -4.567 1.00 0.00 C ATOM 309 C SER A 21 7.714 6.434 -5.259 1.00 0.00 C ATOM 310 O SER A 21 7.730 5.488 -6.045 1.00 0.00 O ATOM 311 CB SER A 21 9.561 8.108 -5.330 1.00 0.00 C ATOM 312 OG SER A 21 9.956 7.719 -6.628 1.00 0.00 O ATOM 0 H SER A 21 9.935 5.130 -5.156 1.00 0.00 H new ATOM 0 HA SER A 21 8.705 7.195 -3.552 1.00 0.00 H new ATOM 0 HB2 SER A 21 8.816 8.902 -5.392 1.00 0.00 H new ATOM 0 HB3 SER A 21 10.416 8.514 -4.789 1.00 0.00 H new ATOM 0 HG SER A 21 10.665 7.046 -6.566 1.00 0.00 H new ATOM 318 N CYS A 22 6.609 7.115 -4.944 1.00 0.00 N ATOM 319 CA CYS A 22 5.294 6.884 -5.518 1.00 0.00 C ATOM 320 C CYS A 22 4.401 8.074 -5.154 1.00 0.00 C ATOM 321 O CYS A 22 4.749 8.856 -4.269 1.00 0.00 O ATOM 322 CB CYS A 22 4.727 5.582 -4.944 1.00 0.00 C ATOM 323 SG CYS A 22 3.192 5.134 -5.798 1.00 0.00 S ATOM 0 H CYS A 22 6.613 7.868 -4.256 1.00 0.00 H new ATOM 0 HA CYS A 22 5.346 6.792 -6.603 1.00 0.00 H new ATOM 0 HB2 CYS A 22 5.458 4.781 -5.051 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.537 5.699 -3.877 1.00 0.00 H new ATOM 0 HG CYS A 22 2.726 4.027 -5.301 1.00 0.00 H new ATOM 329 N SER A 23 3.257 8.212 -5.830 1.00 0.00 N ATOM 330 CA SER A 23 2.303 9.282 -5.567 1.00 0.00 C ATOM 331 C SER A 23 0.885 8.761 -5.768 1.00 0.00 C ATOM 332 O SER A 23 0.682 7.723 -6.399 1.00 0.00 O ATOM 333 CB SER A 23 2.558 10.466 -6.502 1.00 0.00 C ATOM 334 OG SER A 23 3.865 10.969 -6.317 1.00 0.00 O ATOM 0 H SER A 23 2.970 7.580 -6.577 1.00 0.00 H new ATOM 0 HA SER A 23 2.425 9.619 -4.538 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.425 10.154 -7.538 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.828 11.253 -6.310 1.00 0.00 H new ATOM 0 HG SER A 23 4.014 11.725 -6.923 1.00 0.00 H new ATOM 340 N VAL A 24 -0.105 9.480 -5.233 1.00 0.00 N ATOM 341 CA VAL A 24 -1.491 9.031 -5.276 1.00 0.00 C ATOM 342 C VAL A 24 -2.024 8.973 -6.705 1.00 0.00 C ATOM 343 O VAL A 24 -2.997 8.270 -6.968 1.00 0.00 O ATOM 344 CB VAL A 24 -2.391 9.890 -4.370 1.00 0.00 C ATOM 345 CG1 VAL A 24 -1.594 10.827 -3.462 1.00 0.00 C ATOM 346 CG2 VAL A 24 -3.400 10.737 -5.133 1.00 0.00 C ATOM 0 H VAL A 24 0.032 10.376 -4.765 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.512 8.014 -4.885 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.926 9.153 -3.771 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.281 11.408 -2.846 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.938 10.240 -2.819 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.995 11.502 -4.072 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.998 11.314 -4.428 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.872 11.416 -5.803 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.053 10.088 -5.716 1.00 0.00 H new ATOM 356 N GLU A 25 -1.398 9.702 -7.633 1.00 0.00 N ATOM 357 CA GLU A 25 -1.831 9.721 -9.021 1.00 0.00 C ATOM 358 C GLU A 25 -1.321 8.502 -9.782 1.00 0.00 C ATOM 359 O GLU A 25 -1.921 8.113 -10.782 1.00 0.00 O ATOM 360 CB GLU A 25 -1.312 10.988 -9.697 1.00 0.00 C ATOM 361 CG GLU A 25 -1.914 12.234 -9.045 1.00 0.00 C ATOM 362 CD GLU A 25 -1.461 13.499 -9.771 1.00 0.00 C ATOM 363 OE1 GLU A 25 -0.408 14.047 -9.375 1.00 0.00 O ATOM 364 OE2 GLU A 25 -2.171 13.910 -10.716 1.00 0.00 O ATOM 0 H GLU A 25 -0.586 10.288 -7.440 1.00 0.00 H new ATOM 0 HA GLU A 25 -2.921 9.702 -9.035 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.225 11.024 -9.627 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.563 10.969 -10.758 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.002 12.169 -9.062 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.614 12.283 -7.998 1.00 0.00 H new ATOM 371 N ASP A 26 -0.225 7.892 -9.326 1.00 0.00 N ATOM 372 CA ASP A 26 0.330 6.728 -9.998 1.00 0.00 C ATOM 373 C ASP A 26 -0.382 5.461 -9.538 1.00 0.00 C ATOM 374 O ASP A 26 -0.556 4.530 -10.322 1.00 0.00 O ATOM 375 CB ASP A 26 1.825 6.627 -9.693 1.00 0.00 C ATOM 376 CG ASP A 26 2.589 7.837 -10.226 1.00 0.00 C ATOM 377 OD1 ASP A 26 2.547 8.051 -11.458 1.00 0.00 O ATOM 378 OD2 ASP A 26 3.209 8.537 -9.396 1.00 0.00 O ATOM 0 H ASP A 26 0.290 8.188 -8.497 1.00 0.00 H new ATOM 0 HA ASP A 26 0.186 6.836 -11.073 1.00 0.00 H new ATOM 0 HB2 ASP A 26 1.973 6.548 -8.616 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.227 5.717 -10.138 1.00 0.00 H new ATOM 383 N VAL A 27 -0.798 5.415 -8.269 1.00 0.00 N ATOM 384 CA VAL A 27 -1.486 4.249 -7.735 1.00 0.00 C ATOM 385 C VAL A 27 -2.912 4.167 -8.275 1.00 0.00 C ATOM 386 O VAL A 27 -3.405 3.071 -8.537 1.00 0.00 O ATOM 387 CB VAL A 27 -1.449 4.292 -6.204 1.00 0.00 C ATOM 388 CG1 VAL A 27 -2.172 5.512 -5.643 1.00 0.00 C ATOM 389 CG2 VAL A 27 -2.078 3.039 -5.608 1.00 0.00 C ATOM 0 H VAL A 27 -0.668 6.173 -7.598 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.975 3.343 -8.061 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.397 4.350 -5.926 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.118 5.498 -4.554 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.699 6.420 -6.018 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.216 5.492 -5.955 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.039 3.095 -4.520 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.117 2.965 -5.931 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.529 2.160 -5.946 1.00 0.00 H new ATOM 399 N GLN A 28 -3.585 5.310 -8.449 1.00 0.00 N ATOM 400 CA GLN A 28 -4.915 5.312 -9.040 1.00 0.00 C ATOM 401 C GLN A 28 -4.824 5.010 -10.537 1.00 0.00 C ATOM 402 O GLN A 28 -5.767 4.477 -11.119 1.00 0.00 O ATOM 403 CB GLN A 28 -5.608 6.654 -8.780 1.00 0.00 C ATOM 404 CG GLN A 28 -4.872 7.813 -9.452 1.00 0.00 C ATOM 405 CD GLN A 28 -5.487 9.168 -9.110 1.00 0.00 C ATOM 406 OE1 GLN A 28 -5.903 9.906 -9.999 1.00 0.00 O ATOM 407 NE2 GLN A 28 -5.553 9.514 -7.826 1.00 0.00 N ATOM 0 H GLN A 28 -3.231 6.231 -8.191 1.00 0.00 H new ATOM 0 HA GLN A 28 -5.516 4.531 -8.575 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.633 6.611 -9.149 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.663 6.832 -7.706 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -3.826 7.803 -9.144 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.888 7.672 -10.533 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -5.200 8.881 -7.108 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -5.957 10.412 -7.560 1.00 0.00 H new ATOM 416 N ASN A 29 -3.690 5.349 -11.164 1.00 0.00 N ATOM 417 CA ASN A 29 -3.434 5.030 -12.562 1.00 0.00 C ATOM 418 C ASN A 29 -3.200 3.530 -12.765 1.00 0.00 C ATOM 419 O ASN A 29 -3.467 3.011 -13.847 1.00 0.00 O ATOM 420 CB ASN A 29 -2.209 5.832 -13.019 1.00 0.00 C ATOM 421 CG ASN A 29 -1.223 4.999 -13.828 1.00 0.00 C ATOM 422 OD1 ASN A 29 -1.261 4.983 -15.055 1.00 0.00 O ATOM 423 ND2 ASN A 29 -0.332 4.299 -13.129 1.00 0.00 N ATOM 0 H ASN A 29 -2.928 5.852 -10.710 1.00 0.00 H new ATOM 0 HA ASN A 29 -4.307 5.297 -13.158 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -2.539 6.679 -13.620 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -1.701 6.239 -12.145 1.00 0.00 H new ATOM 0 HD21 ASN A 29 0.355 3.720 -13.613 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.336 4.341 -12.110 1.00 0.00 H new ATOM 430 N PHE A 30 -2.706 2.833 -11.738 1.00 0.00 N ATOM 431 CA PHE A 30 -2.349 1.426 -11.855 1.00 0.00 C ATOM 432 C PHE A 30 -3.538 0.512 -11.558 1.00 0.00 C ATOM 433 O PHE A 30 -3.559 -0.641 -11.986 1.00 0.00 O ATOM 434 CB PHE A 30 -1.185 1.157 -10.907 1.00 0.00 C ATOM 435 CG PHE A 30 -0.756 -0.290 -10.846 1.00 0.00 C ATOM 436 CD1 PHE A 30 -0.084 -0.875 -11.928 1.00 0.00 C ATOM 437 CD2 PHE A 30 -1.032 -1.046 -9.701 1.00 0.00 C ATOM 438 CE1 PHE A 30 0.303 -2.221 -11.866 1.00 0.00 C ATOM 439 CE2 PHE A 30 -0.660 -2.395 -9.644 1.00 0.00 C ATOM 440 CZ PHE A 30 0.013 -2.981 -10.724 1.00 0.00 C ATOM 0 H PHE A 30 -2.545 3.229 -10.812 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.052 1.206 -12.880 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.333 1.764 -11.214 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.464 1.484 -9.905 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.135 -0.289 -12.809 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.532 -0.589 -8.860 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.824 -2.672 -12.697 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.892 -2.983 -8.768 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.309 -4.019 -10.677 1.00 0.00 H new ATOM 450 N LEU A 31 -4.530 1.025 -10.826 1.00 0.00 N ATOM 451 CA LEU A 31 -5.778 0.325 -10.544 1.00 0.00 C ATOM 452 C LEU A 31 -6.861 0.913 -11.451 1.00 0.00 C ATOM 453 O LEU A 31 -7.863 1.449 -10.981 1.00 0.00 O ATOM 454 CB LEU A 31 -6.139 0.448 -9.059 1.00 0.00 C ATOM 455 CG LEU A 31 -5.455 -0.578 -8.149 1.00 0.00 C ATOM 456 CD1 LEU A 31 -3.947 -0.641 -8.345 1.00 0.00 C ATOM 457 CD2 LEU A 31 -5.744 -0.193 -6.700 1.00 0.00 C ATOM 0 H LEU A 31 -4.484 1.954 -10.407 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.679 -0.741 -10.750 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.877 1.449 -8.717 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.219 0.347 -8.952 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.852 -1.561 -8.402 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.523 -1.386 -7.672 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.725 -0.916 -9.376 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.511 0.334 -8.128 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.267 -0.909 -6.031 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.351 0.804 -6.503 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.821 -0.199 -6.530 1.00 0.00 H new ATOM 469 N SER A 32 -6.633 0.799 -12.763 1.00 0.00 N ATOM 470 CA SER A 32 -7.448 1.365 -13.833 1.00 0.00 C ATOM 471 C SER A 32 -8.918 0.931 -13.848 1.00 0.00 C ATOM 472 O SER A 32 -9.638 1.283 -14.781 1.00 0.00 O ATOM 473 CB SER A 32 -6.816 0.990 -15.173 1.00 0.00 C ATOM 474 OG SER A 32 -5.433 1.276 -15.170 1.00 0.00 O ATOM 0 H SER A 32 -5.831 0.281 -13.122 1.00 0.00 H new ATOM 0 HA SER A 32 -7.463 2.440 -13.653 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.973 -0.070 -15.371 1.00 0.00 H new ATOM 0 HB3 SER A 32 -7.304 1.540 -15.978 1.00 0.00 H new ATOM 0 HG SER A 32 -5.252 2.011 -14.548 1.00 0.00 H new ATOM 480 N ASP A 33 -9.381 0.178 -12.846 1.00 0.00 N ATOM 481 CA ASP A 33 -10.751 -0.321 -12.806 1.00 0.00 C ATOM 482 C ASP A 33 -11.354 -0.184 -11.408 1.00 0.00 C ATOM 483 O ASP A 33 -12.454 -0.672 -11.160 1.00 0.00 O ATOM 484 CB ASP A 33 -10.779 -1.792 -13.231 1.00 0.00 C ATOM 485 CG ASP A 33 -10.091 -2.017 -14.576 1.00 0.00 C ATOM 486 OD1 ASP A 33 -10.763 -1.812 -15.612 1.00 0.00 O ATOM 487 OD2 ASP A 33 -8.897 -2.392 -14.556 1.00 0.00 O ATOM 0 H ASP A 33 -8.816 -0.100 -12.044 1.00 0.00 H new ATOM 0 HA ASP A 33 -11.347 0.277 -13.496 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -10.290 -2.398 -12.469 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -11.813 -2.131 -13.293 1.00 0.00 H new ATOM 492 N CYS A 34 -10.642 0.475 -10.492 1.00 0.00 N ATOM 493 CA CYS A 34 -11.022 0.546 -9.092 1.00 0.00 C ATOM 494 C CYS A 34 -11.394 1.972 -8.691 1.00 0.00 C ATOM 495 O CYS A 34 -11.363 2.891 -9.508 1.00 0.00 O ATOM 496 CB CYS A 34 -9.833 0.070 -8.257 1.00 0.00 C ATOM 497 SG CYS A 34 -9.369 -1.616 -8.737 1.00 0.00 S ATOM 0 H CYS A 34 -9.780 0.976 -10.709 1.00 0.00 H new ATOM 0 HA CYS A 34 -11.895 -0.083 -8.922 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -8.987 0.742 -8.398 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -10.088 0.098 -7.198 1.00 0.00 H new ATOM 0 HG CYS A 34 -9.723 -2.447 -7.802 1.00 0.00 H new ATOM 503 N THR A 35 -11.744 2.142 -7.414 1.00 0.00 N ATOM 504 CA THR A 35 -12.066 3.430 -6.827 1.00 0.00 C ATOM 505 C THR A 35 -11.396 3.500 -5.464 1.00 0.00 C ATOM 506 O THR A 35 -11.625 2.647 -4.613 1.00 0.00 O ATOM 507 CB THR A 35 -13.582 3.568 -6.690 1.00 0.00 C ATOM 508 OG1 THR A 35 -14.189 3.558 -7.963 1.00 0.00 O ATOM 509 CG2 THR A 35 -13.947 4.869 -5.980 1.00 0.00 C ATOM 0 H THR A 35 -11.811 1.369 -6.752 1.00 0.00 H new ATOM 0 HA THR A 35 -11.709 4.244 -7.458 1.00 0.00 H new ATOM 0 HB THR A 35 -13.942 2.724 -6.101 1.00 0.00 H new ATOM 0 HG1 THR A 35 -15.160 3.645 -7.863 1.00 0.00 H new ATOM 0 HG21 THR A 35 -15.031 4.945 -5.894 1.00 0.00 H new ATOM 0 HG22 THR A 35 -13.503 4.877 -4.985 1.00 0.00 H new ATOM 0 HG23 THR A 35 -13.568 5.715 -6.553 1.00 0.00 H new ATOM 517 N ILE A 36 -10.567 4.528 -5.276 1.00 0.00 N ATOM 518 CA ILE A 36 -9.746 4.733 -4.088 1.00 0.00 C ATOM 519 C ILE A 36 -10.572 5.411 -2.993 1.00 0.00 C ATOM 520 O ILE A 36 -10.102 6.309 -2.299 1.00 0.00 O ATOM 521 CB ILE A 36 -8.468 5.493 -4.489 1.00 0.00 C ATOM 522 CG1 ILE A 36 -7.685 4.680 -5.532 1.00 0.00 C ATOM 523 CG2 ILE A 36 -7.540 5.743 -3.299 1.00 0.00 C ATOM 524 CD1 ILE A 36 -8.053 5.082 -6.960 1.00 0.00 C ATOM 0 H ILE A 36 -10.447 5.264 -5.972 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.421 3.785 -3.660 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.788 6.454 -4.891 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -6.616 4.825 -5.378 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.886 3.618 -5.390 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.654 6.282 -3.635 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -8.062 6.336 -2.549 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -7.241 4.789 -2.864 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.477 4.484 -7.666 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -9.117 4.912 -7.123 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -7.827 6.138 -7.110 1.00 0.00 H new ATOM 536 N HIS A 37 -11.824 4.963 -2.848 1.00 0.00 N ATOM 537 CA HIS A 37 -12.816 5.489 -1.915 1.00 0.00 C ATOM 538 C HIS A 37 -13.151 6.972 -2.142 1.00 0.00 C ATOM 539 O HIS A 37 -14.186 7.447 -1.679 1.00 0.00 O ATOM 540 CB HIS A 37 -12.340 5.191 -0.494 1.00 0.00 C ATOM 541 CG HIS A 37 -13.430 5.279 0.539 1.00 0.00 C ATOM 542 ND1 HIS A 37 -14.131 4.219 1.069 1.00 0.00 N ATOM 543 CD2 HIS A 37 -13.912 6.416 1.127 1.00 0.00 C ATOM 544 CE1 HIS A 37 -15.010 4.713 1.957 1.00 0.00 C ATOM 545 NE2 HIS A 37 -14.916 6.052 2.031 1.00 0.00 N ATOM 0 H HIS A 37 -12.186 4.189 -3.405 1.00 0.00 H new ATOM 0 HA HIS A 37 -13.767 4.986 -2.091 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -11.906 4.191 -0.468 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -11.546 5.890 -0.232 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -14.006 3.235 0.830 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -13.575 7.423 0.928 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -15.700 4.115 2.534 1.00 0.00 H new ATOM 553 N ASP A 38 -12.281 7.698 -2.851 1.00 0.00 N ATOM 554 CA ASP A 38 -12.451 9.092 -3.241 1.00 0.00 C ATOM 555 C ASP A 38 -11.613 9.367 -4.488 1.00 0.00 C ATOM 556 O ASP A 38 -12.033 10.112 -5.372 1.00 0.00 O ATOM 557 CB ASP A 38 -11.961 10.008 -2.120 1.00 0.00 C ATOM 558 CG ASP A 38 -12.903 10.015 -0.918 1.00 0.00 C ATOM 559 OD1 ASP A 38 -14.020 10.560 -1.066 1.00 0.00 O ATOM 560 OD2 ASP A 38 -12.498 9.477 0.135 1.00 0.00 O ATOM 0 H ASP A 38 -11.399 7.307 -3.182 1.00 0.00 H new ATOM 0 HA ASP A 38 -13.506 9.281 -3.439 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -10.970 9.687 -1.799 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -11.858 11.023 -2.503 1.00 0.00 H new ATOM 565 N GLY A 39 -10.425 8.755 -4.549 1.00 0.00 N ATOM 566 CA GLY A 39 -9.527 8.823 -5.693 1.00 0.00 C ATOM 567 C GLY A 39 -8.138 9.284 -5.277 1.00 0.00 C ATOM 568 O GLY A 39 -7.128 8.741 -5.716 1.00 0.00 O ATOM 0 H GLY A 39 -10.059 8.188 -3.784 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -9.461 7.843 -6.165 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.933 9.509 -6.437 1.00 0.00 H new ATOM 572 N ALA A 40 -8.118 10.298 -4.418 1.00 0.00 N ATOM 573 CA ALA A 40 -6.916 10.945 -3.918 1.00 0.00 C ATOM 574 C ALA A 40 -7.077 11.306 -2.441 1.00 0.00 C ATOM 575 O ALA A 40 -6.272 12.053 -1.888 1.00 0.00 O ATOM 576 CB ALA A 40 -6.668 12.200 -4.750 1.00 0.00 C ATOM 0 H ALA A 40 -8.973 10.705 -4.038 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.066 10.268 -4.003 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.769 12.702 -4.392 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.536 11.923 -5.796 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.521 12.872 -4.657 1.00 0.00 H new ATOM 582 N ALA A 41 -8.124 10.769 -1.807 1.00 0.00 N ATOM 583 CA ALA A 41 -8.424 11.028 -0.405 1.00 0.00 C ATOM 584 C ALA A 41 -8.574 9.720 0.377 1.00 0.00 C ATOM 585 O ALA A 41 -9.152 9.703 1.464 1.00 0.00 O ATOM 586 CB ALA A 41 -9.657 11.925 -0.295 1.00 0.00 C ATOM 0 H ALA A 41 -8.788 10.140 -2.259 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.588 11.561 0.049 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.876 12.115 0.756 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -9.466 12.870 -0.802 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.510 11.430 -0.760 1.00 0.00 H new ATOM 592 N GLY A 42 -8.051 8.625 -0.184 1.00 0.00 N ATOM 593 CA GLY A 42 -8.046 7.315 0.450 1.00 0.00 C ATOM 594 C GLY A 42 -6.672 6.655 0.322 1.00 0.00 C ATOM 595 O GLY A 42 -6.503 5.497 0.701 1.00 0.00 O ATOM 0 H GLY A 42 -7.614 8.631 -1.106 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.310 7.415 1.503 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.804 6.680 -0.010 1.00 0.00 H new ATOM 599 N VAL A 43 -5.691 7.394 -0.212 1.00 0.00 N ATOM 600 CA VAL A 43 -4.322 6.920 -0.357 1.00 0.00 C ATOM 601 C VAL A 43 -3.609 6.961 0.998 1.00 0.00 C ATOM 602 O VAL A 43 -4.054 7.657 1.911 1.00 0.00 O ATOM 603 CB VAL A 43 -3.585 7.814 -1.368 1.00 0.00 C ATOM 604 CG1 VAL A 43 -3.136 9.118 -0.706 1.00 0.00 C ATOM 605 CG2 VAL A 43 -2.380 7.067 -1.937 1.00 0.00 C ATOM 0 H VAL A 43 -5.833 8.344 -0.556 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.327 5.891 -0.717 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.268 8.061 -2.181 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.616 9.737 -1.437 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.007 9.654 -0.330 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.464 8.893 0.122 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.861 7.705 -2.653 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.700 6.803 -1.127 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.718 6.160 -2.438 1.00 0.00 H new ATOM 615 N HIS A 44 -2.505 6.220 1.133 1.00 0.00 N ATOM 616 CA HIS A 44 -1.650 6.272 2.312 1.00 0.00 C ATOM 617 C HIS A 44 -0.227 5.849 1.958 1.00 0.00 C ATOM 618 O HIS A 44 -0.016 5.130 0.985 1.00 0.00 O ATOM 619 CB HIS A 44 -2.173 5.312 3.379 1.00 0.00 C ATOM 620 CG HIS A 44 -3.327 5.842 4.182 1.00 0.00 C ATOM 621 ND1 HIS A 44 -3.258 6.798 5.168 1.00 0.00 N ATOM 622 CD2 HIS A 44 -4.636 5.462 4.076 1.00 0.00 C ATOM 623 CE1 HIS A 44 -4.498 6.973 5.654 1.00 0.00 C ATOM 624 NE2 HIS A 44 -5.380 6.186 5.016 1.00 0.00 N ATOM 0 H HIS A 44 -2.182 5.565 0.421 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.654 7.296 2.685 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -2.479 4.384 2.896 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -1.357 5.064 4.058 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -5.029 4.730 3.386 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -4.752 7.656 6.451 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -6.385 6.128 5.182 1.00 0.00 H new ATOM 632 N PHE A 45 0.743 6.303 2.759 1.00 0.00 N ATOM 633 CA PHE A 45 2.144 5.922 2.650 1.00 0.00 C ATOM 634 C PHE A 45 2.753 5.941 4.054 1.00 0.00 C ATOM 635 O PHE A 45 2.159 6.515 4.967 1.00 0.00 O ATOM 636 CB PHE A 45 2.887 6.890 1.724 1.00 0.00 C ATOM 637 CG PHE A 45 2.289 7.009 0.337 1.00 0.00 C ATOM 638 CD1 PHE A 45 2.715 6.153 -0.688 1.00 0.00 C ATOM 639 CD2 PHE A 45 1.307 7.975 0.075 1.00 0.00 C ATOM 640 CE1 PHE A 45 2.137 6.239 -1.963 1.00 0.00 C ATOM 641 CE2 PHE A 45 0.734 8.065 -1.201 1.00 0.00 C ATOM 642 CZ PHE A 45 1.140 7.190 -2.219 1.00 0.00 C ATOM 0 H PHE A 45 0.565 6.961 3.518 1.00 0.00 H new ATOM 0 HA PHE A 45 2.231 4.923 2.223 1.00 0.00 H new ATOM 0 HB2 PHE A 45 2.902 7.877 2.186 1.00 0.00 H new ATOM 0 HB3 PHE A 45 3.923 6.564 1.633 1.00 0.00 H new ATOM 0 HD1 PHE A 45 3.490 5.426 -0.496 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.992 8.650 0.857 1.00 0.00 H new ATOM 0 HE1 PHE A 45 2.461 5.572 -2.748 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.022 8.810 -1.401 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.686 7.249 -3.197 1.00 0.00 H new ATOM 652 N ILE A 46 3.927 5.326 4.248 1.00 0.00 N ATOM 653 CA ILE A 46 4.537 5.243 5.577 1.00 0.00 C ATOM 654 C ILE A 46 5.751 6.170 5.696 1.00 0.00 C ATOM 655 O ILE A 46 6.520 6.118 6.654 1.00 0.00 O ATOM 656 CB ILE A 46 4.925 3.800 5.926 1.00 0.00 C ATOM 657 CG1 ILE A 46 4.108 2.712 5.219 1.00 0.00 C ATOM 658 CG2 ILE A 46 4.801 3.653 7.439 1.00 0.00 C ATOM 659 CD1 ILE A 46 2.609 2.728 5.488 1.00 0.00 C ATOM 0 H ILE A 46 4.468 4.882 3.506 1.00 0.00 H new ATOM 0 HA ILE A 46 3.787 5.575 6.295 1.00 0.00 H new ATOM 0 HB ILE A 46 5.943 3.642 5.570 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.266 2.806 4.145 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.501 1.739 5.515 1.00 0.00 H new ATOM 0 HG21 ILE A 46 5.069 2.637 7.729 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.471 4.359 7.929 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.774 3.857 7.741 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.132 1.917 4.938 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.429 2.598 6.555 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.191 3.681 5.163 1.00 0.00 H new ATOM 826 N ALA A 57 2.621 1.465 1.090 1.00 0.00 N ATOM 827 CA ALA A 57 1.409 2.245 0.964 1.00 0.00 C ATOM 828 C ALA A 57 0.171 1.369 1.130 1.00 0.00 C ATOM 829 O ALA A 57 0.261 0.144 1.204 1.00 0.00 O ATOM 830 CB ALA A 57 1.420 2.898 -0.418 1.00 0.00 C ATOM 0 HA ALA A 57 1.372 3.003 1.746 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.517 3.495 -0.545 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.296 3.540 -0.510 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.455 2.125 -1.185 1.00 0.00 H new ATOM 836 N PHE A 58 -0.990 2.020 1.187 1.00 0.00 N ATOM 837 CA PHE A 58 -2.280 1.361 1.279 1.00 0.00 C ATOM 838 C PHE A 58 -3.277 2.133 0.427 1.00 0.00 C ATOM 839 O PHE A 58 -3.046 3.293 0.086 1.00 0.00 O ATOM 840 CB PHE A 58 -2.774 1.327 2.726 1.00 0.00 C ATOM 841 CG PHE A 58 -1.946 0.526 3.707 1.00 0.00 C ATOM 842 CD1 PHE A 58 -0.897 1.136 4.407 1.00 0.00 C ATOM 843 CD2 PHE A 58 -2.239 -0.828 3.928 1.00 0.00 C ATOM 844 CE1 PHE A 58 -0.196 0.417 5.383 1.00 0.00 C ATOM 845 CE2 PHE A 58 -1.517 -1.558 4.883 1.00 0.00 C ATOM 846 CZ PHE A 58 -0.501 -0.932 5.618 1.00 0.00 C ATOM 0 H PHE A 58 -1.055 3.038 1.170 1.00 0.00 H new ATOM 0 HA PHE A 58 -2.182 0.334 0.926 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.834 2.353 3.089 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -3.788 0.927 2.730 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -0.629 2.160 4.194 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -3.022 -1.309 3.361 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.581 0.902 5.956 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -1.743 -2.600 5.052 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.047 -1.488 6.365 1.00 0.00 H new ATOM 856 N VAL A 59 -4.390 1.484 0.085 1.00 0.00 N ATOM 857 CA VAL A 59 -5.413 2.070 -0.762 1.00 0.00 C ATOM 858 C VAL A 59 -6.782 1.589 -0.298 1.00 0.00 C ATOM 859 O VAL A 59 -7.159 0.446 -0.551 1.00 0.00 O ATOM 860 CB VAL A 59 -5.174 1.659 -2.221 1.00 0.00 C ATOM 861 CG1 VAL A 59 -6.159 2.370 -3.146 1.00 0.00 C ATOM 862 CG2 VAL A 59 -3.762 2.017 -2.683 1.00 0.00 C ATOM 0 H VAL A 59 -4.602 0.535 0.392 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.371 3.157 -0.693 1.00 0.00 H new ATOM 0 HB VAL A 59 -5.311 0.579 -2.269 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.975 2.066 -4.176 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.178 2.104 -2.866 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.028 3.448 -3.057 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -3.630 1.711 -3.721 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -3.614 3.094 -2.601 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.033 1.502 -2.057 1.00 0.00 H new ATOM 872 N GLU A 60 -7.533 2.458 0.381 1.00 0.00 N ATOM 873 CA GLU A 60 -8.904 2.137 0.746 1.00 0.00 C ATOM 874 C GLU A 60 -9.758 2.179 -0.515 1.00 0.00 C ATOM 875 O GLU A 60 -9.480 2.974 -1.411 1.00 0.00 O ATOM 876 CB GLU A 60 -9.441 3.150 1.758 1.00 0.00 C ATOM 877 CG GLU A 60 -8.623 3.146 3.049 1.00 0.00 C ATOM 878 CD GLU A 60 -9.271 4.053 4.093 1.00 0.00 C ATOM 879 OE1 GLU A 60 -9.082 5.285 3.987 1.00 0.00 O ATOM 880 OE2 GLU A 60 -9.950 3.506 4.990 1.00 0.00 O ATOM 0 H GLU A 60 -7.215 3.378 0.684 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.938 1.146 1.199 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.423 4.148 1.319 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.482 2.920 1.986 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.549 2.130 3.437 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.607 3.484 2.844 1.00 0.00 H new ATOM 887 N LEU A 61 -10.793 1.338 -0.598 1.00 0.00 N ATOM 888 CA LEU A 61 -11.652 1.333 -1.774 1.00 0.00 C ATOM 889 C LEU A 61 -13.118 1.509 -1.397 1.00 0.00 C ATOM 890 O LEU A 61 -13.456 1.716 -0.232 1.00 0.00 O ATOM 891 CB LEU A 61 -11.467 0.039 -2.567 1.00 0.00 C ATOM 892 CG LEU A 61 -9.992 -0.327 -2.771 1.00 0.00 C ATOM 893 CD1 LEU A 61 -9.891 -1.795 -3.154 1.00 0.00 C ATOM 894 CD2 LEU A 61 -9.381 0.502 -3.897 1.00 0.00 C ATOM 0 H LEU A 61 -11.049 0.665 0.124 1.00 0.00 H new ATOM 0 HA LEU A 61 -11.360 2.178 -2.397 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -11.970 -0.776 -2.046 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -11.949 0.142 -3.539 1.00 0.00 H new ATOM 0 HG LEU A 61 -9.456 -0.128 -1.843 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.844 -2.062 -3.301 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -10.314 -2.409 -2.358 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -10.442 -1.969 -4.078 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.334 0.226 -4.025 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -9.922 0.312 -4.824 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -9.450 1.561 -3.648 1.00 0.00 H new ATOM 906 N GLY A 62 -13.989 1.425 -2.403 1.00 0.00 N ATOM 907 CA GLY A 62 -15.407 1.679 -2.228 1.00 0.00 C ATOM 908 C GLY A 62 -16.220 0.417 -1.952 1.00 0.00 C ATOM 909 O GLY A 62 -17.200 0.486 -1.211 1.00 0.00 O ATOM 0 H GLY A 62 -13.726 1.179 -3.357 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -15.544 2.378 -1.403 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -15.795 2.163 -3.124 1.00 0.00 H new ATOM 913 N SER A 63 -15.833 -0.725 -2.533 1.00 0.00 N ATOM 914 CA SER A 63 -16.598 -1.960 -2.387 1.00 0.00 C ATOM 915 C SER A 63 -15.708 -3.194 -2.500 1.00 0.00 C ATOM 916 O SER A 63 -14.538 -3.103 -2.869 1.00 0.00 O ATOM 917 CB SER A 63 -17.672 -2.031 -3.477 1.00 0.00 C ATOM 918 OG SER A 63 -18.582 -0.956 -3.365 1.00 0.00 O ATOM 0 H SER A 63 -14.995 -0.815 -3.107 1.00 0.00 H new ATOM 0 HA SER A 63 -17.052 -1.950 -1.396 1.00 0.00 H new ATOM 0 HB2 SER A 63 -17.200 -2.011 -4.459 1.00 0.00 H new ATOM 0 HB3 SER A 63 -18.210 -2.976 -3.401 1.00 0.00 H new ATOM 0 HG SER A 63 -19.256 -1.023 -4.073 1.00 0.00 H new ATOM 924 N GLU A 64 -16.279 -4.358 -2.176 1.00 0.00 N ATOM 925 CA GLU A 64 -15.601 -5.642 -2.283 1.00 0.00 C ATOM 926 C GLU A 64 -15.176 -5.919 -3.724 1.00 0.00 C ATOM 927 O GLU A 64 -14.199 -6.625 -3.963 1.00 0.00 O ATOM 928 CB GLU A 64 -16.565 -6.732 -1.810 1.00 0.00 C ATOM 929 CG GLU A 64 -15.954 -8.124 -1.958 1.00 0.00 C ATOM 930 CD GLU A 64 -16.914 -9.195 -1.445 1.00 0.00 C ATOM 931 OE1 GLU A 64 -17.044 -9.311 -0.206 1.00 0.00 O ATOM 932 OE2 GLU A 64 -17.511 -9.890 -2.296 1.00 0.00 O ATOM 0 H GLU A 64 -17.235 -4.430 -1.829 1.00 0.00 H new ATOM 0 HA GLU A 64 -14.702 -5.629 -1.667 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -16.828 -6.558 -0.767 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -17.489 -6.676 -2.385 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -15.717 -8.313 -3.005 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -15.016 -8.175 -1.405 1.00 0.00 H new ATOM 939 N ASP A 65 -15.899 -5.370 -4.700 1.00 0.00 N ATOM 940 CA ASP A 65 -15.555 -5.610 -6.089 1.00 0.00 C ATOM 941 C ASP A 65 -14.266 -4.874 -6.455 1.00 0.00 C ATOM 942 O ASP A 65 -13.529 -5.317 -7.333 1.00 0.00 O ATOM 943 CB ASP A 65 -16.717 -5.151 -6.972 1.00 0.00 C ATOM 944 CG ASP A 65 -16.503 -5.532 -8.435 1.00 0.00 C ATOM 945 OD1 ASP A 65 -16.288 -6.737 -8.694 1.00 0.00 O ATOM 946 OD2 ASP A 65 -16.557 -4.613 -9.283 1.00 0.00 O ATOM 0 H ASP A 65 -16.710 -4.769 -4.553 1.00 0.00 H new ATOM 0 HA ASP A 65 -15.382 -6.675 -6.247 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -17.645 -5.596 -6.612 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -16.830 -4.070 -6.891 1.00 0.00 H new ATOM 951 N ASP A 66 -13.984 -3.749 -5.788 1.00 0.00 N ATOM 952 CA ASP A 66 -12.786 -2.971 -6.051 1.00 0.00 C ATOM 953 C ASP A 66 -11.559 -3.659 -5.462 1.00 0.00 C ATOM 954 O ASP A 66 -10.495 -3.636 -6.079 1.00 0.00 O ATOM 955 CB ASP A 66 -12.948 -1.582 -5.434 1.00 0.00 C ATOM 956 CG ASP A 66 -14.052 -0.785 -6.121 1.00 0.00 C ATOM 957 OD1 ASP A 66 -13.806 -0.328 -7.258 1.00 0.00 O ATOM 958 OD2 ASP A 66 -15.129 -0.642 -5.503 1.00 0.00 O ATOM 0 H ASP A 66 -14.580 -3.361 -5.057 1.00 0.00 H new ATOM 0 HA ASP A 66 -12.646 -2.884 -7.128 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -13.176 -1.680 -4.373 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -12.006 -1.038 -5.509 1.00 0.00 H new ATOM 963 N VAL A 67 -11.685 -4.272 -4.279 1.00 0.00 N ATOM 964 CA VAL A 67 -10.547 -4.947 -3.667 1.00 0.00 C ATOM 965 C VAL A 67 -10.178 -6.168 -4.492 1.00 0.00 C ATOM 966 O VAL A 67 -8.997 -6.442 -4.675 1.00 0.00 O ATOM 967 CB VAL A 67 -10.812 -5.288 -2.191 1.00 0.00 C ATOM 968 CG1 VAL A 67 -12.236 -5.746 -1.912 1.00 0.00 C ATOM 969 CG2 VAL A 67 -9.869 -6.376 -1.681 1.00 0.00 C ATOM 0 H VAL A 67 -12.549 -4.312 -3.739 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.693 -4.270 -3.663 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.639 -4.349 -1.666 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -12.345 -5.968 -0.850 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -12.933 -4.956 -2.191 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -12.451 -6.642 -2.494 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -10.089 -6.587 -0.635 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -10.006 -7.282 -2.271 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.838 -6.036 -1.773 1.00 0.00 H new ATOM 979 N LYS A 68 -11.166 -6.908 -4.997 1.00 0.00 N ATOM 980 CA LYS A 68 -10.884 -8.046 -5.851 1.00 0.00 C ATOM 981 C LYS A 68 -10.150 -7.595 -7.110 1.00 0.00 C ATOM 982 O LYS A 68 -9.171 -8.224 -7.506 1.00 0.00 O ATOM 983 CB LYS A 68 -12.201 -8.731 -6.207 1.00 0.00 C ATOM 984 CG LYS A 68 -12.760 -9.461 -4.986 1.00 0.00 C ATOM 985 CD LYS A 68 -14.127 -10.054 -5.322 1.00 0.00 C ATOM 986 CE LYS A 68 -14.673 -10.797 -4.105 1.00 0.00 C ATOM 987 NZ LYS A 68 -16.001 -11.375 -4.382 1.00 0.00 N ATOM 0 H LYS A 68 -12.157 -6.737 -4.828 1.00 0.00 H new ATOM 0 HA LYS A 68 -10.240 -8.752 -5.326 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -12.921 -7.992 -6.560 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -12.044 -9.437 -7.022 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -12.076 -10.252 -4.678 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -12.848 -8.771 -4.147 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -14.816 -9.263 -5.617 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -14.042 -10.735 -6.169 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -13.981 -11.590 -3.820 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -14.741 -10.113 -3.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -16.704 -10.952 -3.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -16.267 -11.178 -5.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -15.970 -12.403 -4.231 1.00 0.00 H new ATOM 1001 N MET A 69 -10.614 -6.511 -7.739 1.00 0.00 N ATOM 1002 CA MET A 69 -10.018 -6.018 -8.971 1.00 0.00 C ATOM 1003 C MET A 69 -8.605 -5.483 -8.757 1.00 0.00 C ATOM 1004 O MET A 69 -7.794 -5.530 -9.679 1.00 0.00 O ATOM 1005 CB MET A 69 -10.906 -4.928 -9.570 1.00 0.00 C ATOM 1006 CG MET A 69 -12.105 -5.568 -10.271 1.00 0.00 C ATOM 1007 SD MET A 69 -13.087 -4.425 -11.277 1.00 0.00 S ATOM 1008 CE MET A 69 -13.514 -3.201 -10.014 1.00 0.00 C ATOM 0 H MET A 69 -11.406 -5.960 -7.408 1.00 0.00 H new ATOM 0 HA MET A 69 -9.943 -6.858 -9.661 1.00 0.00 H new ATOM 0 HB2 MET A 69 -11.249 -4.253 -8.786 1.00 0.00 H new ATOM 0 HB3 MET A 69 -10.335 -4.329 -10.279 1.00 0.00 H new ATOM 0 HG2 MET A 69 -11.748 -6.377 -10.908 1.00 0.00 H new ATOM 0 HG3 MET A 69 -12.753 -6.017 -9.518 1.00 0.00 H new ATOM 0 HE1 MET A 69 -14.210 -2.474 -10.433 1.00 0.00 H new ATOM 0 HE2 MET A 69 -13.980 -3.701 -9.165 1.00 0.00 H new ATOM 0 HE3 MET A 69 -12.610 -2.690 -9.683 1.00 0.00 H new ATOM 1018 N ALA A 70 -8.293 -4.976 -7.561 1.00 0.00 N ATOM 1019 CA ALA A 70 -6.954 -4.491 -7.265 1.00 0.00 C ATOM 1020 C ALA A 70 -5.970 -5.652 -7.119 1.00 0.00 C ATOM 1021 O ALA A 70 -4.782 -5.498 -7.395 1.00 0.00 O ATOM 1022 CB ALA A 70 -7.001 -3.666 -5.981 1.00 0.00 C ATOM 0 H ALA A 70 -8.952 -4.893 -6.787 1.00 0.00 H new ATOM 0 HA ALA A 70 -6.608 -3.869 -8.090 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.002 -3.297 -5.749 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.678 -2.822 -6.115 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.357 -4.289 -5.161 1.00 0.00 H new ATOM 1028 N LEU A 71 -6.458 -6.818 -6.684 1.00 0.00 N ATOM 1029 CA LEU A 71 -5.634 -8.003 -6.500 1.00 0.00 C ATOM 1030 C LEU A 71 -5.381 -8.724 -7.825 1.00 0.00 C ATOM 1031 O LEU A 71 -4.502 -9.579 -7.900 1.00 0.00 O ATOM 1032 CB LEU A 71 -6.331 -8.929 -5.501 1.00 0.00 C ATOM 1033 CG LEU A 71 -6.498 -8.232 -4.148 1.00 0.00 C ATOM 1034 CD1 LEU A 71 -7.401 -9.063 -3.245 1.00 0.00 C ATOM 1035 CD2 LEU A 71 -5.154 -8.008 -3.467 1.00 0.00 C ATOM 0 H LEU A 71 -7.441 -6.961 -6.450 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.660 -7.705 -6.113 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.307 -9.222 -5.888 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.750 -9.843 -5.377 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.953 -7.258 -4.326 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.516 -8.561 -2.284 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.378 -9.177 -3.714 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.956 -10.046 -3.090 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.310 -7.511 -2.509 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.665 -8.968 -3.303 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.524 -7.384 -4.101 1.00 0.00 H new ATOM 1047 N LYS A 72 -6.141 -8.390 -8.874 1.00 0.00 N ATOM 1048 CA LYS A 72 -5.934 -8.970 -10.202 1.00 0.00 C ATOM 1049 C LYS A 72 -4.629 -8.526 -10.866 1.00 0.00 C ATOM 1050 O LYS A 72 -4.281 -9.055 -11.921 1.00 0.00 O ATOM 1051 CB LYS A 72 -7.089 -8.608 -11.135 1.00 0.00 C ATOM 1052 CG LYS A 72 -8.450 -9.084 -10.622 1.00 0.00 C ATOM 1053 CD LYS A 72 -8.457 -10.582 -10.304 1.00 0.00 C ATOM 1054 CE LYS A 72 -9.815 -11.000 -9.743 1.00 0.00 C ATOM 1055 NZ LYS A 72 -10.884 -10.875 -10.753 1.00 0.00 N ATOM 0 H LYS A 72 -6.907 -7.718 -8.826 1.00 0.00 H new ATOM 0 HA LYS A 72 -5.882 -10.047 -10.042 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.116 -7.526 -11.267 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.905 -9.044 -12.117 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.715 -8.523 -9.726 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.213 -8.870 -11.370 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -8.238 -11.153 -11.206 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -7.672 -10.811 -9.583 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -9.763 -12.031 -9.394 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.057 -10.382 -8.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -11.742 -11.352 -10.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -11.089 -9.869 -10.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -10.574 -11.316 -11.643 1.00 0.00 H new ATOM 1069 N LYS A 73 -3.904 -7.570 -10.276 1.00 0.00 N ATOM 1070 CA LYS A 73 -2.649 -7.079 -10.834 1.00 0.00 C ATOM 1071 C LYS A 73 -1.574 -7.007 -9.755 1.00 0.00 C ATOM 1072 O LYS A 73 -0.648 -6.202 -9.826 1.00 0.00 O ATOM 1073 CB LYS A 73 -2.857 -5.733 -11.531 1.00 0.00 C ATOM 1074 CG LYS A 73 -3.228 -4.619 -10.551 1.00 0.00 C ATOM 1075 CD LYS A 73 -4.737 -4.445 -10.387 1.00 0.00 C ATOM 1076 CE LYS A 73 -5.362 -3.938 -11.689 1.00 0.00 C ATOM 1077 NZ LYS A 73 -6.813 -3.718 -11.541 1.00 0.00 N ATOM 0 H LYS A 73 -4.173 -7.119 -9.402 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.302 -7.783 -11.590 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.946 -5.457 -12.062 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -3.644 -5.832 -12.279 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -2.785 -4.836 -9.579 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -2.795 -3.680 -10.896 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -5.190 -5.395 -10.105 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -4.943 -3.742 -9.580 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -4.880 -3.007 -11.987 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -5.182 -4.660 -12.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -7.248 -3.624 -12.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -7.238 -4.526 -11.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -6.978 -2.849 -10.995 1.00 0.00 H new ATOM 1091 N ASP A 74 -1.729 -7.873 -8.756 1.00 0.00 N ATOM 1092 CA ASP A 74 -0.889 -7.980 -7.572 1.00 0.00 C ATOM 1093 C ASP A 74 0.632 -7.970 -7.780 1.00 0.00 C ATOM 1094 O ASP A 74 1.350 -7.863 -6.787 1.00 0.00 O ATOM 1095 CB ASP A 74 -1.295 -9.238 -6.812 1.00 0.00 C ATOM 1096 CG ASP A 74 -0.871 -10.507 -7.553 1.00 0.00 C ATOM 1097 OD1 ASP A 74 -1.567 -10.867 -8.528 1.00 0.00 O ATOM 1098 OD2 ASP A 74 0.145 -11.109 -7.140 1.00 0.00 O ATOM 0 H ASP A 74 -2.487 -8.555 -8.754 1.00 0.00 H new ATOM 0 HA ASP A 74 -1.071 -7.060 -7.016 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -0.842 -9.227 -5.821 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.376 -9.244 -6.669 1.00 0.00 H new ATOM 1103 N ARG A 75 1.149 -8.075 -9.013 1.00 0.00 N ATOM 1104 CA ARG A 75 2.587 -8.023 -9.249 1.00 0.00 C ATOM 1105 C ARG A 75 2.923 -7.471 -10.639 1.00 0.00 C ATOM 1106 O ARG A 75 4.029 -7.679 -11.135 1.00 0.00 O ATOM 1107 CB ARG A 75 3.148 -9.434 -9.086 1.00 0.00 C ATOM 1108 CG ARG A 75 4.616 -9.443 -8.695 1.00 0.00 C ATOM 1109 CD ARG A 75 5.106 -10.878 -8.827 1.00 0.00 C ATOM 1110 NE ARG A 75 6.551 -10.973 -8.599 1.00 0.00 N ATOM 1111 CZ ARG A 75 7.483 -10.664 -9.506 1.00 0.00 C ATOM 1112 NH1 ARG A 75 7.142 -10.227 -10.716 1.00 0.00 N ATOM 1113 NH2 ARG A 75 8.772 -10.794 -9.202 1.00 0.00 N ATOM 0 H ARG A 75 0.588 -8.196 -9.856 1.00 0.00 H new ATOM 0 HA ARG A 75 3.040 -7.344 -8.526 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.572 -9.964 -8.328 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.022 -9.980 -10.021 1.00 0.00 H new ATOM 0 HG2 ARG A 75 5.191 -8.779 -9.341 1.00 0.00 H new ATOM 0 HG3 ARG A 75 4.745 -9.084 -7.674 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.581 -11.511 -8.111 1.00 0.00 H new ATOM 0 HD3 ARG A 75 4.867 -11.256 -9.821 1.00 0.00 H new ATOM 0 HE ARG A 75 6.867 -11.297 -7.685 1.00 0.00 H new ATOM 0 HH11 ARG A 75 6.158 -10.124 -10.962 1.00 0.00 H new ATOM 0 HH12 ARG A 75 7.865 -9.995 -11.397 1.00 0.00 H new ATOM 0 HH21 ARG A 75 9.047 -11.129 -8.279 1.00 0.00 H new ATOM 0 HH22 ARG A 75 9.485 -10.559 -9.892 1.00 0.00 H new ATOM 1127 N GLU A 76 1.982 -6.769 -11.281 1.00 0.00 N ATOM 1128 CA GLU A 76 2.184 -6.248 -12.632 1.00 0.00 C ATOM 1129 C GLU A 76 3.170 -5.080 -12.664 1.00 0.00 C ATOM 1130 O GLU A 76 3.953 -4.869 -11.740 1.00 0.00 O ATOM 1131 CB GLU A 76 0.858 -5.813 -13.259 1.00 0.00 C ATOM 1132 CG GLU A 76 -0.165 -6.938 -13.225 1.00 0.00 C ATOM 1133 CD GLU A 76 0.402 -8.262 -13.740 1.00 0.00 C ATOM 1134 OE1 GLU A 76 0.789 -8.302 -14.928 1.00 0.00 O ATOM 1135 OE2 GLU A 76 0.443 -9.222 -12.939 1.00 0.00 O ATOM 0 H GLU A 76 1.070 -6.549 -10.881 1.00 0.00 H new ATOM 0 HA GLU A 76 2.609 -7.065 -13.215 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.467 -4.947 -12.724 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.026 -5.502 -14.290 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.519 -7.071 -12.203 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.029 -6.658 -13.828 1.00 0.00 H new ATOM 1142 N SER A 77 3.115 -4.319 -13.758 1.00 0.00 N ATOM 1143 CA SER A 77 4.005 -3.196 -14.008 1.00 0.00 C ATOM 1144 C SER A 77 3.246 -2.071 -14.704 1.00 0.00 C ATOM 1145 O SER A 77 2.309 -2.323 -15.460 1.00 0.00 O ATOM 1146 CB SER A 77 5.157 -3.678 -14.890 1.00 0.00 C ATOM 1147 OG SER A 77 5.936 -2.587 -15.335 1.00 0.00 O ATOM 0 H SER A 77 2.437 -4.472 -14.505 1.00 0.00 H new ATOM 0 HA SER A 77 4.395 -2.813 -13.065 1.00 0.00 H new ATOM 0 HB2 SER A 77 5.783 -4.374 -14.331 1.00 0.00 H new ATOM 0 HB3 SER A 77 4.762 -4.223 -15.747 1.00 0.00 H new ATOM 0 HG SER A 77 6.669 -2.916 -15.896 1.00 0.00 H new ATOM 1153 N MET A 78 3.654 -0.824 -14.447 1.00 0.00 N ATOM 1154 CA MET A 78 3.079 0.340 -15.109 1.00 0.00 C ATOM 1155 C MET A 78 3.552 0.414 -16.559 1.00 0.00 C ATOM 1156 O MET A 78 3.020 1.196 -17.346 1.00 0.00 O ATOM 1157 CB MET A 78 3.489 1.611 -14.363 1.00 0.00 C ATOM 1158 CG MET A 78 2.830 1.660 -12.987 1.00 0.00 C ATOM 1159 SD MET A 78 3.323 3.088 -11.991 1.00 0.00 S ATOM 1160 CE MET A 78 2.219 2.835 -10.579 1.00 0.00 C ATOM 0 H MET A 78 4.389 -0.599 -13.777 1.00 0.00 H new ATOM 0 HA MET A 78 1.993 0.250 -15.100 1.00 0.00 H new ATOM 0 HB2 MET A 78 4.573 1.642 -14.255 1.00 0.00 H new ATOM 0 HB3 MET A 78 3.201 2.488 -14.942 1.00 0.00 H new ATOM 0 HG2 MET A 78 1.747 1.673 -13.113 1.00 0.00 H new ATOM 0 HG3 MET A 78 3.076 0.748 -12.444 1.00 0.00 H new ATOM 0 HE1 MET A 78 2.628 3.337 -9.702 1.00 0.00 H new ATOM 0 HE2 MET A 78 1.236 3.247 -10.807 1.00 0.00 H new ATOM 0 HE3 MET A 78 2.127 1.768 -10.376 1.00 0.00 H new ATOM 1170 N GLY A 79 4.552 -0.400 -16.911 1.00 0.00 N ATOM 1171 CA GLY A 79 5.098 -0.454 -18.256 1.00 0.00 C ATOM 1172 C GLY A 79 6.621 -0.562 -18.245 1.00 0.00 C ATOM 1173 O GLY A 79 7.217 -0.859 -19.280 1.00 0.00 O ATOM 0 H GLY A 79 5.004 -1.042 -16.260 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.677 -1.309 -18.785 1.00 0.00 H new ATOM 0 HA3 GLY A 79 4.801 0.439 -18.805 1.00 0.00 H new ATOM 1177 N HIS A 80 7.258 -0.325 -17.091 1.00 0.00 N ATOM 1178 CA HIS A 80 8.710 -0.355 -16.998 1.00 0.00 C ATOM 1179 C HIS A 80 9.214 -0.703 -15.592 1.00 0.00 C ATOM 1180 O HIS A 80 10.422 -0.831 -15.399 1.00 0.00 O ATOM 1181 CB HIS A 80 9.240 1.011 -17.445 1.00 0.00 C ATOM 1182 CG HIS A 80 10.714 1.014 -17.747 1.00 0.00 C ATOM 1183 ND1 HIS A 80 11.725 1.242 -16.854 1.00 0.00 N flip ATOM 1184 CD2 HIS A 80 11.300 0.790 -18.972 1.00 0.00 C flip ATOM 1185 CE1 HIS A 80 12.944 1.161 -17.537 1.00 0.00 C flip ATOM 1186 NE2 HIS A 80 12.632 0.885 -18.815 1.00 0.00 N flip ATOM 0 H HIS A 80 6.784 -0.111 -16.213 1.00 0.00 H new ATOM 0 HA HIS A 80 9.084 -1.147 -17.647 1.00 0.00 H new ATOM 0 HB2 HIS A 80 8.695 1.330 -18.333 1.00 0.00 H new ATOM 0 HB3 HIS A 80 9.036 1.744 -16.665 1.00 0.00 H new ATOM 0 HD2 HIS A 80 10.782 0.576 -19.895 1.00 0.00 H new ATOM 0 HE1 HIS A 80 13.932 1.293 -17.122 1.00 0.00 H new ATOM 0 HE2 HIS A 80 13.313 0.764 -19.564 1.00 0.00 H new ATOM 1194 N ARG A 81 8.327 -0.862 -14.598 1.00 0.00 N ATOM 1195 CA ARG A 81 8.773 -1.164 -13.242 1.00 0.00 C ATOM 1196 C ARG A 81 7.743 -1.976 -12.457 1.00 0.00 C ATOM 1197 O ARG A 81 6.537 -1.799 -12.607 1.00 0.00 O ATOM 1198 CB ARG A 81 9.093 0.148 -12.519 1.00 0.00 C ATOM 1199 CG ARG A 81 9.741 -0.079 -11.148 1.00 0.00 C ATOM 1200 CD ARG A 81 11.091 -0.789 -11.260 1.00 0.00 C ATOM 1201 NE ARG A 81 11.681 -1.007 -9.934 1.00 0.00 N ATOM 1202 CZ ARG A 81 12.943 -1.392 -9.730 1.00 0.00 C ATOM 1203 NH1 ARG A 81 13.757 -1.629 -10.758 1.00 0.00 N ATOM 1204 NH2 ARG A 81 13.398 -1.541 -8.490 1.00 0.00 N ATOM 0 H ARG A 81 7.316 -0.787 -14.710 1.00 0.00 H new ATOM 0 HA ARG A 81 9.668 -1.782 -13.307 1.00 0.00 H new ATOM 0 HB2 ARG A 81 9.761 0.747 -13.138 1.00 0.00 H new ATOM 0 HB3 ARG A 81 8.175 0.723 -12.393 1.00 0.00 H new ATOM 0 HG2 ARG A 81 9.877 0.880 -10.648 1.00 0.00 H new ATOM 0 HG3 ARG A 81 9.071 -0.671 -10.524 1.00 0.00 H new ATOM 0 HD2 ARG A 81 10.962 -1.745 -11.767 1.00 0.00 H new ATOM 0 HD3 ARG A 81 11.770 -0.194 -11.871 1.00 0.00 H new ATOM 0 HE ARG A 81 11.090 -0.855 -9.117 1.00 0.00 H new ATOM 0 HH11 ARG A 81 13.418 -1.517 -11.713 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.719 -1.923 -10.589 1.00 0.00 H new ATOM 0 HH21 ARG A 81 12.783 -1.361 -7.696 1.00 0.00 H new ATOM 0 HH22 ARG A 81 14.362 -1.835 -8.332 1.00 0.00 H new ATOM 1218 N TYR A 82 8.267 -2.868 -11.616 1.00 0.00 N ATOM 1219 CA TYR A 82 7.555 -3.818 -10.775 1.00 0.00 C ATOM 1220 C TYR A 82 6.715 -3.096 -9.724 1.00 0.00 C ATOM 1221 O TYR A 82 7.209 -2.271 -8.950 1.00 0.00 O ATOM 1222 CB TYR A 82 8.672 -4.707 -10.211 1.00 0.00 C ATOM 1223 CG TYR A 82 8.446 -5.754 -9.134 1.00 0.00 C ATOM 1224 CD1 TYR A 82 7.232 -6.433 -8.905 1.00 0.00 C ATOM 1225 CD2 TYR A 82 9.564 -6.042 -8.336 1.00 0.00 C ATOM 1226 CE1 TYR A 82 7.162 -7.376 -7.865 1.00 0.00 C ATOM 1227 CE2 TYR A 82 9.499 -6.992 -7.313 1.00 0.00 C ATOM 1228 CZ TYR A 82 8.290 -7.665 -7.071 1.00 0.00 C ATOM 1229 OH TYR A 82 8.215 -8.592 -6.075 1.00 0.00 O ATOM 0 H TYR A 82 9.277 -2.947 -11.500 1.00 0.00 H new ATOM 0 HA TYR A 82 6.818 -4.422 -11.303 1.00 0.00 H new ATOM 0 HB2 TYR A 82 9.107 -5.231 -11.062 1.00 0.00 H new ATOM 0 HB3 TYR A 82 9.437 -4.032 -9.827 1.00 0.00 H new ATOM 0 HD1 TYR A 82 6.368 -6.231 -9.520 1.00 0.00 H new ATOM 0 HD2 TYR A 82 10.492 -5.520 -8.516 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.230 -7.887 -7.672 1.00 0.00 H new ATOM 0 HE2 TYR A 82 10.371 -7.207 -6.713 1.00 0.00 H new ATOM 0 HH TYR A 82 7.276 -8.811 -5.902 1.00 0.00 H new ATOM 1239 N ILE A 83 5.423 -3.434 -9.718 1.00 0.00 N ATOM 1240 CA ILE A 83 4.445 -2.938 -8.766 1.00 0.00 C ATOM 1241 C ILE A 83 3.869 -4.151 -8.055 1.00 0.00 C ATOM 1242 O ILE A 83 3.983 -5.269 -8.553 1.00 0.00 O ATOM 1243 CB ILE A 83 3.293 -2.204 -9.472 1.00 0.00 C ATOM 1244 CG1 ILE A 83 3.757 -1.191 -10.518 1.00 0.00 C ATOM 1245 CG2 ILE A 83 2.401 -1.493 -8.444 1.00 0.00 C ATOM 1246 CD1 ILE A 83 4.537 -0.026 -9.919 1.00 0.00 C ATOM 0 H ILE A 83 5.024 -4.080 -10.399 1.00 0.00 H new ATOM 0 HA ILE A 83 4.926 -2.238 -8.083 1.00 0.00 H new ATOM 0 HB ILE A 83 2.732 -2.975 -10.000 1.00 0.00 H new ATOM 0 HG12 ILE A 83 4.381 -1.698 -11.254 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.888 -0.803 -11.050 1.00 0.00 H new ATOM 0 HG21 ILE A 83 1.590 -0.978 -8.960 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.984 -2.227 -7.755 1.00 0.00 H new ATOM 0 HG23 ILE A 83 2.995 -0.768 -7.887 1.00 0.00 H new ATOM 0 HD11 ILE A 83 4.838 0.657 -10.713 1.00 0.00 H new ATOM 0 HD12 ILE A 83 3.908 0.504 -9.204 1.00 0.00 H new ATOM 0 HD13 ILE A 83 5.424 -0.405 -9.411 1.00 0.00 H new ATOM 1258 N GLU A 84 3.250 -3.944 -6.896 1.00 0.00 N ATOM 1259 CA GLU A 84 2.634 -5.034 -6.170 1.00 0.00 C ATOM 1260 C GLU A 84 1.411 -4.557 -5.399 1.00 0.00 C ATOM 1261 O GLU A 84 1.302 -3.385 -5.043 1.00 0.00 O ATOM 1262 CB GLU A 84 3.660 -5.622 -5.207 1.00 0.00 C ATOM 1263 CG GLU A 84 4.487 -6.706 -5.889 1.00 0.00 C ATOM 1264 CD GLU A 84 5.328 -7.454 -4.863 1.00 0.00 C ATOM 1265 OE1 GLU A 84 5.920 -6.772 -4.000 1.00 0.00 O ATOM 1266 OE2 GLU A 84 5.370 -8.700 -4.955 1.00 0.00 O ATOM 0 H GLU A 84 3.165 -3.032 -6.446 1.00 0.00 H new ATOM 0 HA GLU A 84 2.305 -5.793 -6.879 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.317 -4.832 -4.843 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.152 -6.039 -4.338 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.829 -7.403 -6.407 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.134 -6.258 -6.643 1.00 0.00 H new ATOM 1273 N VAL A 85 0.492 -5.493 -5.149 1.00 0.00 N ATOM 1274 CA VAL A 85 -0.732 -5.248 -4.401 1.00 0.00 C ATOM 1275 C VAL A 85 -0.988 -6.469 -3.533 1.00 0.00 C ATOM 1276 O VAL A 85 -0.684 -7.584 -3.946 1.00 0.00 O ATOM 1277 CB VAL A 85 -1.930 -5.056 -5.341 1.00 0.00 C ATOM 1278 CG1 VAL A 85 -3.076 -4.364 -4.604 1.00 0.00 C ATOM 1279 CG2 VAL A 85 -1.567 -4.227 -6.566 1.00 0.00 C ATOM 0 H VAL A 85 0.584 -6.457 -5.469 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.617 -4.342 -3.807 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.236 -6.049 -5.672 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.919 -4.234 -5.283 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.384 -4.975 -3.755 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.743 -3.389 -4.248 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.444 -4.116 -7.203 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.222 -3.243 -6.250 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.775 -4.728 -7.123 1.00 0.00 H new ATOM 1289 N PHE A 86 -1.542 -6.272 -2.340 1.00 0.00 N ATOM 1290 CA PHE A 86 -1.808 -7.373 -1.425 1.00 0.00 C ATOM 1291 C PHE A 86 -3.073 -7.041 -0.644 1.00 0.00 C ATOM 1292 O PHE A 86 -3.390 -5.870 -0.445 1.00 0.00 O ATOM 1293 CB PHE A 86 -0.584 -7.568 -0.522 1.00 0.00 C ATOM 1294 CG PHE A 86 -0.545 -8.820 0.332 1.00 0.00 C ATOM 1295 CD1 PHE A 86 -1.285 -8.869 1.519 1.00 0.00 C ATOM 1296 CD2 PHE A 86 0.230 -9.932 -0.042 1.00 0.00 C ATOM 1297 CE1 PHE A 86 -1.248 -10.007 2.335 1.00 0.00 C ATOM 1298 CE2 PHE A 86 0.279 -11.065 0.777 1.00 0.00 C ATOM 1299 CZ PHE A 86 -0.463 -11.107 1.965 1.00 0.00 C ATOM 0 H PHE A 86 -1.816 -5.356 -1.985 1.00 0.00 H new ATOM 0 HA PHE A 86 -1.975 -8.313 -1.950 1.00 0.00 H new ATOM 0 HB2 PHE A 86 0.305 -7.561 -1.152 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -0.512 -6.705 0.140 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -1.890 -8.022 1.808 1.00 0.00 H new ATOM 0 HD2 PHE A 86 0.790 -9.911 -0.965 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -1.824 -10.036 3.248 1.00 0.00 H new ATOM 0 HE2 PHE A 86 0.890 -11.909 0.493 1.00 0.00 H new ATOM 0 HZ PHE A 86 -0.430 -11.985 2.594 1.00 0.00 H new ATOM 1309 N LYS A 87 -3.805 -8.060 -0.199 1.00 0.00 N ATOM 1310 CA LYS A 87 -5.096 -7.855 0.431 1.00 0.00 C ATOM 1311 C LYS A 87 -4.943 -7.320 1.854 1.00 0.00 C ATOM 1312 O LYS A 87 -4.001 -7.666 2.561 1.00 0.00 O ATOM 1313 CB LYS A 87 -5.853 -9.179 0.391 1.00 0.00 C ATOM 1314 CG LYS A 87 -7.315 -8.970 0.764 1.00 0.00 C ATOM 1315 CD LYS A 87 -8.083 -10.279 0.593 1.00 0.00 C ATOM 1316 CE LYS A 87 -9.556 -10.058 0.929 1.00 0.00 C ATOM 1317 NZ LYS A 87 -10.333 -11.298 0.742 1.00 0.00 N ATOM 0 H LYS A 87 -3.520 -9.037 -0.266 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.663 -7.098 -0.110 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -5.785 -9.614 -0.606 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -5.394 -9.888 1.080 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.391 -8.625 1.795 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.753 -8.195 0.135 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.984 -10.639 -0.431 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.663 -11.046 1.243 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.650 -9.718 1.960 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -9.963 -9.270 0.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -11.331 -11.121 0.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -10.260 -11.607 -0.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -9.957 -12.041 1.365 1.00 0.00 H new ATOM 1331 N SER A 88 -5.882 -6.470 2.269 1.00 0.00 N ATOM 1332 CA SER A 88 -5.855 -5.835 3.581 1.00 0.00 C ATOM 1333 C SER A 88 -7.255 -5.817 4.193 1.00 0.00 C ATOM 1334 O SER A 88 -8.185 -6.391 3.631 1.00 0.00 O ATOM 1335 CB SER A 88 -5.278 -4.423 3.444 1.00 0.00 C ATOM 1336 OG SER A 88 -5.074 -3.844 4.717 1.00 0.00 O ATOM 0 H SER A 88 -6.685 -6.203 1.700 1.00 0.00 H new ATOM 0 HA SER A 88 -5.216 -6.405 4.255 1.00 0.00 H new ATOM 0 HB2 SER A 88 -4.334 -4.461 2.900 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.957 -3.802 2.860 1.00 0.00 H new ATOM 0 HG SER A 88 -4.703 -2.943 4.611 1.00 0.00 H new ATOM 1342 N HIS A 89 -7.401 -5.158 5.346 1.00 0.00 N ATOM 1343 CA HIS A 89 -8.659 -5.083 6.079 1.00 0.00 C ATOM 1344 C HIS A 89 -8.720 -3.842 6.971 1.00 0.00 C ATOM 1345 O HIS A 89 -9.554 -3.773 7.872 1.00 0.00 O ATOM 1346 CB HIS A 89 -8.844 -6.373 6.883 1.00 0.00 C ATOM 1347 CG HIS A 89 -7.583 -6.796 7.590 1.00 0.00 C ATOM 1348 ND1 HIS A 89 -7.137 -6.343 8.810 1.00 0.00 N ATOM 1349 CD2 HIS A 89 -6.661 -7.699 7.134 1.00 0.00 C ATOM 1350 CE1 HIS A 89 -5.958 -6.939 9.063 1.00 0.00 C ATOM 1351 NE2 HIS A 89 -5.629 -7.787 8.074 1.00 0.00 N ATOM 0 H HIS A 89 -6.637 -4.657 5.799 1.00 0.00 H new ATOM 0 HA HIS A 89 -9.481 -4.986 5.370 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -9.638 -6.230 7.616 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -9.168 -7.171 6.215 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -6.720 -8.250 6.207 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -5.357 -6.760 9.942 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -4.797 -8.375 8.020 1.00 0.00 H new ATOM 1359 N ARG A 90 -7.838 -2.866 6.717 1.00 0.00 N ATOM 1360 CA ARG A 90 -7.837 -1.543 7.341 1.00 0.00 C ATOM 1361 C ARG A 90 -7.293 -1.552 8.769 1.00 0.00 C ATOM 1362 O ARG A 90 -6.743 -0.548 9.215 1.00 0.00 O ATOM 1363 CB ARG A 90 -9.248 -0.944 7.286 1.00 0.00 C ATOM 1364 CG ARG A 90 -9.212 0.569 7.506 1.00 0.00 C ATOM 1365 CD ARG A 90 -10.617 1.161 7.398 1.00 0.00 C ATOM 1366 NE ARG A 90 -11.501 0.651 8.452 1.00 0.00 N ATOM 1367 CZ ARG A 90 -12.804 0.936 8.533 1.00 0.00 C ATOM 1368 NH1 ARG A 90 -13.385 1.726 7.633 1.00 0.00 N ATOM 1369 NH2 ARG A 90 -13.537 0.429 9.522 1.00 0.00 N ATOM 0 H ARG A 90 -7.079 -2.984 6.046 1.00 0.00 H new ATOM 0 HA ARG A 90 -7.154 -0.914 6.770 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -9.702 -1.164 6.320 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.875 -1.410 8.046 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -8.793 0.789 8.488 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -8.558 1.034 6.768 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -10.561 2.248 7.464 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.039 0.922 6.422 1.00 0.00 H new ATOM 0 HE ARG A 90 -11.097 0.043 9.165 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -12.835 2.121 6.871 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -14.380 1.936 7.706 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -13.104 -0.177 10.219 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -14.532 0.647 9.583 1.00 0.00 H new ATOM 1383 N THR A 91 -7.433 -2.664 9.495 1.00 0.00 N ATOM 1384 CA THR A 91 -6.873 -2.761 10.836 1.00 0.00 C ATOM 1385 C THR A 91 -5.349 -2.775 10.761 1.00 0.00 C ATOM 1386 O THR A 91 -4.682 -2.175 11.600 1.00 0.00 O ATOM 1387 CB THR A 91 -7.383 -4.030 11.522 1.00 0.00 C ATOM 1388 OG1 THR A 91 -8.793 -4.038 11.512 1.00 0.00 O ATOM 1389 CG2 THR A 91 -6.894 -4.093 12.967 1.00 0.00 C ATOM 0 H THR A 91 -7.925 -3.499 9.177 1.00 0.00 H new ATOM 0 HA THR A 91 -7.188 -1.896 11.420 1.00 0.00 H new ATOM 0 HB THR A 91 -7.000 -4.895 10.980 1.00 0.00 H new ATOM 0 HG1 THR A 91 -9.119 -4.852 11.950 1.00 0.00 H new ATOM 0 HG21 THR A 91 -7.267 -5.002 13.438 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.804 -4.097 12.982 1.00 0.00 H new ATOM 0 HG23 THR A 91 -7.261 -3.224 13.514 1.00 0.00 H new ATOM 1397 N GLU A 92 -4.791 -3.460 9.757 1.00 0.00 N ATOM 1398 CA GLU A 92 -3.354 -3.461 9.536 1.00 0.00 C ATOM 1399 C GLU A 92 -2.907 -2.103 9.028 1.00 0.00 C ATOM 1400 O GLU A 92 -1.806 -1.669 9.348 1.00 0.00 O ATOM 1401 CB GLU A 92 -2.990 -4.536 8.513 1.00 0.00 C ATOM 1402 CG GLU A 92 -1.470 -4.705 8.465 1.00 0.00 C ATOM 1403 CD GLU A 92 -1.035 -5.765 7.457 1.00 0.00 C ATOM 1404 OE1 GLU A 92 -1.688 -6.831 7.403 1.00 0.00 O ATOM 1405 OE2 GLU A 92 -0.043 -5.501 6.742 1.00 0.00 O ATOM 0 H GLU A 92 -5.320 -4.019 9.088 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.850 -3.674 10.479 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -3.463 -5.481 8.780 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.366 -4.258 7.529 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.009 -3.751 8.207 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -1.106 -4.978 9.455 1.00 0.00 H new ATOM 1412 N MET A 93 -3.748 -1.428 8.242 1.00 0.00 N ATOM 1413 CA MET A 93 -3.397 -0.116 7.736 1.00 0.00 C ATOM 1414 C MET A 93 -3.154 0.815 8.917 1.00 0.00 C ATOM 1415 O MET A 93 -2.134 1.494 8.967 1.00 0.00 O ATOM 1416 CB MET A 93 -4.527 0.398 6.846 1.00 0.00 C ATOM 1417 CG MET A 93 -4.137 1.725 6.199 1.00 0.00 C ATOM 1418 SD MET A 93 -5.450 2.455 5.192 1.00 0.00 S ATOM 1419 CE MET A 93 -6.544 3.009 6.523 1.00 0.00 C ATOM 0 H MET A 93 -4.664 -1.769 7.950 1.00 0.00 H new ATOM 0 HA MET A 93 -2.488 -0.163 7.137 1.00 0.00 H new ATOM 0 HB2 MET A 93 -4.753 -0.337 6.074 1.00 0.00 H new ATOM 0 HB3 MET A 93 -5.433 0.528 7.437 1.00 0.00 H new ATOM 0 HG2 MET A 93 -3.855 2.431 6.980 1.00 0.00 H new ATOM 0 HG3 MET A 93 -3.256 1.570 5.576 1.00 0.00 H new ATOM 0 HE1 MET A 93 -7.571 3.040 6.160 1.00 0.00 H new ATOM 0 HE2 MET A 93 -6.476 2.316 7.362 1.00 0.00 H new ATOM 0 HE3 MET A 93 -6.244 4.005 6.850 1.00 0.00 H new ATOM 1429 N ASP A 94 -4.090 0.843 9.868 1.00 0.00 N ATOM 1430 CA ASP A 94 -3.999 1.701 11.040 1.00 0.00 C ATOM 1431 C ASP A 94 -2.841 1.289 11.947 1.00 0.00 C ATOM 1432 O ASP A 94 -2.274 2.116 12.658 1.00 0.00 O ATOM 1433 CB ASP A 94 -5.307 1.586 11.814 1.00 0.00 C ATOM 1434 CG ASP A 94 -5.402 2.643 12.911 1.00 0.00 C ATOM 1435 OD1 ASP A 94 -5.392 3.843 12.557 1.00 0.00 O ATOM 1436 OD2 ASP A 94 -5.485 2.243 14.093 1.00 0.00 O ATOM 0 H ASP A 94 -4.932 0.268 9.842 1.00 0.00 H new ATOM 0 HA ASP A 94 -3.821 2.726 10.715 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -6.147 1.695 11.129 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -5.383 0.593 12.257 1.00 0.00 H new ATOM 1441 N TRP A 95 -2.494 0.002 11.915 1.00 0.00 N ATOM 1442 CA TRP A 95 -1.447 -0.567 12.752 1.00 0.00 C ATOM 1443 C TRP A 95 -0.056 -0.067 12.357 1.00 0.00 C ATOM 1444 O TRP A 95 0.872 -0.154 13.159 1.00 0.00 O ATOM 1445 CB TRP A 95 -1.514 -2.093 12.656 1.00 0.00 C ATOM 1446 CG TRP A 95 -0.486 -2.837 13.447 1.00 0.00 C ATOM 1447 CD1 TRP A 95 -0.643 -3.330 14.695 1.00 0.00 C ATOM 1448 CD2 TRP A 95 0.876 -3.185 13.057 1.00 0.00 C ATOM 1449 NE1 TRP A 95 0.520 -3.952 15.101 1.00 0.00 N ATOM 1450 CE2 TRP A 95 1.496 -3.886 14.128 1.00 0.00 C ATOM 1451 CE3 TRP A 95 1.650 -2.965 11.904 1.00 0.00 C ATOM 1452 CZ2 TRP A 95 2.815 -4.345 14.057 1.00 0.00 C ATOM 1453 CZ3 TRP A 95 2.979 -3.405 11.827 1.00 0.00 C ATOM 1454 CH2 TRP A 95 3.561 -4.100 12.896 1.00 0.00 C ATOM 0 H TRP A 95 -2.939 -0.679 11.299 1.00 0.00 H new ATOM 0 HA TRP A 95 -1.615 -0.246 13.780 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -2.502 -2.416 12.983 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -1.416 -2.378 11.608 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -1.543 -3.249 15.286 1.00 0.00 H new ATOM 0 HE1 TRP A 95 0.643 -4.404 16.007 1.00 0.00 H new ATOM 0 HE3 TRP A 95 1.213 -2.448 11.063 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 3.253 -4.881 14.886 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 3.559 -3.207 10.937 1.00 0.00 H new ATOM 0 HH2 TRP A 95 4.582 -4.446 12.825 1.00 0.00 H new ATOM 1465 N VAL A 96 0.100 0.456 11.136 1.00 0.00 N ATOM 1466 CA VAL A 96 1.391 0.955 10.669 1.00 0.00 C ATOM 1467 C VAL A 96 1.319 2.433 10.277 1.00 0.00 C ATOM 1468 O VAL A 96 2.340 3.117 10.307 1.00 0.00 O ATOM 1469 CB VAL A 96 1.903 0.072 9.522 1.00 0.00 C ATOM 1470 CG1 VAL A 96 0.885 -0.012 8.395 1.00 0.00 C ATOM 1471 CG2 VAL A 96 3.235 0.589 8.980 1.00 0.00 C ATOM 0 H VAL A 96 -0.655 0.543 10.455 1.00 0.00 H new ATOM 0 HA VAL A 96 2.107 0.896 11.488 1.00 0.00 H new ATOM 0 HB VAL A 96 2.056 -0.928 9.928 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.276 -0.644 7.598 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -0.043 -0.439 8.774 1.00 0.00 H new ATOM 0 HG13 VAL A 96 0.692 0.987 8.004 1.00 0.00 H new ATOM 0 HG21 VAL A 96 3.573 -0.056 8.169 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.106 1.605 8.606 1.00 0.00 H new ATOM 0 HG23 VAL A 96 3.978 0.588 9.778 1.00 0.00 H new ATOM 1481 N LEU A 97 0.141 2.948 9.913 1.00 0.00 N ATOM 1482 CA LEU A 97 -0.020 4.367 9.613 1.00 0.00 C ATOM 1483 C LEU A 97 0.054 5.221 10.883 1.00 0.00 C ATOM 1484 O LEU A 97 -0.001 6.447 10.796 1.00 0.00 O ATOM 1485 CB LEU A 97 -1.368 4.597 8.919 1.00 0.00 C ATOM 1486 CG LEU A 97 -1.272 4.847 7.411 1.00 0.00 C ATOM 1487 CD1 LEU A 97 -0.429 6.082 7.094 1.00 0.00 C ATOM 1488 CD2 LEU A 97 -0.688 3.638 6.688 1.00 0.00 C ATOM 0 H LEU A 97 -0.714 2.400 9.820 1.00 0.00 H new ATOM 0 HA LEU A 97 0.795 4.667 8.955 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.003 3.728 9.091 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.861 5.450 9.385 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.289 5.020 7.058 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.385 6.225 6.014 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.880 6.959 7.558 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.580 5.944 7.483 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.632 3.845 5.619 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.312 3.433 7.071 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.326 2.770 6.856 1.00 0.00 H new ATOM 1500 N LYS A 98 0.178 4.591 12.058 1.00 0.00 N ATOM 1501 CA LYS A 98 0.182 5.286 13.338 1.00 0.00 C ATOM 1502 C LYS A 98 1.430 4.977 14.166 1.00 0.00 C ATOM 1503 O LYS A 98 1.523 5.409 15.314 1.00 0.00 O ATOM 1504 CB LYS A 98 -1.081 4.898 14.104 1.00 0.00 C ATOM 1505 CG LYS A 98 -2.351 5.276 13.339 1.00 0.00 C ATOM 1506 CD LYS A 98 -2.529 6.792 13.223 1.00 0.00 C ATOM 1507 CE LYS A 98 -3.781 7.126 12.410 1.00 0.00 C ATOM 1508 NZ LYS A 98 -5.001 6.566 13.025 1.00 0.00 N ATOM 0 H LYS A 98 0.279 3.579 12.141 1.00 0.00 H new ATOM 0 HA LYS A 98 0.198 6.359 13.149 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -1.076 3.824 14.292 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -1.082 5.391 15.076 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -2.315 4.839 12.341 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -3.217 4.848 13.843 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -2.606 7.232 14.217 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -1.652 7.231 12.748 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -3.881 8.208 12.325 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -3.672 6.735 11.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -5.834 7.084 12.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -5.088 5.561 12.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -4.942 6.658 14.059 1.00 0.00 H new