USER MOD reduce.3.24.130724 H: found=0, std=0, add=827, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 827 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 151 SER OG : rot -100:sc= -0.803! USER MOD Set 1.2: A 154 THR OG1 : rot -70:sc= -3.66! USER MOD Set 2.1: A 21 LYS NZ :NH3+ -178:sc= 1.24 (180deg=-0.000286) USER MOD Set 2.2: A 95 GLN : amide:sc= -1.96! C(o=-0.72!,f=-9.7!) USER MOD Set 3.1: A 16 HIS :FLIP no HE2:sc= -10.2! C(o=-19!,f=-18!) USER MOD Set 3.2: A 19 HIS : no HD1:sc= -4.4! C(o=-18!,f=-31!) USER MOD Set 3.3: A 96 THR OG1 : rot -156:sc= -3.23! USER MOD Single : A 12 THR OG1 : rot 26:sc= 0.0881 USER MOD Single : A 14 MET CE :methyl 151:sc= 0 (180deg=-1.2) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 170:sc= -2.45! USER MOD Single : A 93 MET CE :methyl -117:sc= 0 (180deg=-0.351) USER MOD Single : A 101 ASN : amide:sc= -0.622 K(o=-0.62,f=-1.9!) USER MOD Single : A 102 HIS : no HD1:sc= -0.296 X(o=-0.3,f=0.008) USER MOD Single : A 104 LYS NZ :NH3+ -116:sc= 0.0743 (180deg=-0.0273) USER MOD Single : A 107 ASN : amide:sc= -0.0168 K(o=-0.017,f=-1.2!) USER MOD Single : A 115 ASN : amide:sc= -7.09! C(o=-7.1!,f=-14!) USER MOD Single : A 116 LYS NZ :NH3+ -139:sc= 2.19 (180deg=1.16) USER MOD Single : A 117 MET CE :methyl -167:sc= -8.14! (180deg=-9.13!) USER MOD Single : A 119 LYS NZ :NH3+ 160:sc= 2.47 (180deg=1.98) USER MOD Single : A 123 ASN :FLIP amide:sc= -0.385 F(o=-4.7!,f=-0.39) USER MOD Single : A 128 MET CE :methyl 156:sc= -1.02 (180deg=-1.96) USER MOD Single : A 129 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 132 MET CE :methyl -161:sc= -0.354 (180deg=-1.15) USER MOD Single : A 134 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 ASN : amide:sc= -0.258 K(o=-0.26,f=-1.2) USER MOD Single : A 145 THR OG1 : rot -16:sc= 0.195 USER MOD Single : A 148 CYS SG : rot 110:sc= -2.15! USER MOD Single : A 149 LYS NZ :NH3+ -170:sc= 1.24 (180deg=1.06) USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 LYS NZ :NH3+ -169:sc= 0.289 (180deg=0.153) USER MOD Single : A 160 HIS : no HD1:sc=-0.00257 X(o=-0.0026,f=-0.0026) USER MOD Single : A 164 MET CE :methyl 136:sc= -2.43! (180deg=-5.56!) USER MOD ----------------------------------------------------------------- ATOM 171 N THR A 12 -11.728 -3.540 -1.111 1.00 0.44 N ATOM 172 CA THR A 12 -11.271 -4.397 -0.032 1.00 0.45 C ATOM 173 C THR A 12 -10.485 -3.582 0.994 1.00 0.41 C ATOM 174 O THR A 12 -9.641 -2.771 0.628 1.00 0.50 O ATOM 175 CB THR A 12 -10.377 -5.524 -0.590 1.00 0.54 C ATOM 176 OG1 THR A 12 -11.096 -6.287 -1.565 1.00 0.61 O ATOM 177 CG2 THR A 12 -9.894 -6.440 0.522 1.00 0.64 C ATOM 0 HA THR A 12 -12.142 -4.837 0.453 1.00 0.45 H new ATOM 0 HB THR A 12 -9.508 -5.063 -1.059 1.00 0.54 H new ATOM 0 HG1 THR A 12 -11.795 -5.730 -1.966 1.00 0.61 H new ATOM 0 HG21 THR A 12 -9.266 -7.225 0.100 1.00 0.64 H new ATOM 0 HG22 THR A 12 -9.317 -5.863 1.244 1.00 0.64 H new ATOM 0 HG23 THR A 12 -10.752 -6.891 1.021 1.00 0.64 H new ATOM 185 N ILE A 13 -10.769 -3.773 2.277 1.00 0.40 N ATOM 186 CA ILE A 13 -10.011 -3.100 3.326 1.00 0.40 C ATOM 187 C ILE A 13 -9.197 -4.113 4.128 1.00 0.37 C ATOM 188 O ILE A 13 -9.743 -5.066 4.683 1.00 0.52 O ATOM 189 CB ILE A 13 -10.923 -2.289 4.274 1.00 0.52 C ATOM 190 CG1 ILE A 13 -11.619 -1.166 3.502 1.00 1.15 C ATOM 191 CG2 ILE A 13 -10.116 -1.718 5.437 1.00 1.26 C ATOM 192 CD1 ILE A 13 -12.461 -0.254 4.371 1.00 1.30 C ATOM 0 H ILE A 13 -11.513 -4.384 2.615 1.00 0.40 H new ATOM 0 HA ILE A 13 -9.336 -2.398 2.835 1.00 0.40 H new ATOM 0 HB ILE A 13 -11.683 -2.956 4.681 1.00 0.52 H new ATOM 0 HG12 ILE A 13 -10.865 -0.569 2.990 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -12.253 -1.606 2.733 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -10.775 -1.150 6.093 1.00 1.26 H new ATOM 0 HG22 ILE A 13 -9.660 -2.533 5.998 1.00 1.26 H new ATOM 0 HG23 ILE A 13 -9.336 -1.062 5.051 1.00 1.26 H new ATOM 0 HD11 ILE A 13 -12.921 0.516 3.752 1.00 1.30 H new ATOM 0 HD12 ILE A 13 -13.239 -0.837 4.863 1.00 1.30 H new ATOM 0 HD13 ILE A 13 -11.829 0.216 5.124 1.00 1.30 H new ATOM 204 N MET A 14 -7.889 -3.910 4.164 1.00 0.26 N ATOM 205 CA MET A 14 -6.977 -4.805 4.835 1.00 0.28 C ATOM 206 C MET A 14 -5.907 -4.004 5.568 1.00 0.24 C ATOM 207 O MET A 14 -5.843 -2.784 5.426 1.00 0.29 O ATOM 208 CB MET A 14 -6.328 -5.719 3.805 1.00 0.36 C ATOM 209 CG MET A 14 -7.234 -6.829 3.288 1.00 0.49 C ATOM 210 SD MET A 14 -6.435 -7.847 2.029 1.00 0.79 S ATOM 211 CE MET A 14 -7.691 -9.086 1.720 1.00 0.69 C ATOM 0 H MET A 14 -7.433 -3.111 3.723 1.00 0.26 H new ATOM 0 HA MET A 14 -7.523 -5.405 5.562 1.00 0.28 H new ATOM 0 HB2 MET A 14 -5.995 -5.116 2.960 1.00 0.36 H new ATOM 0 HB3 MET A 14 -5.438 -6.169 4.246 1.00 0.36 H new ATOM 0 HG2 MET A 14 -7.539 -7.462 4.121 1.00 0.49 H new ATOM 0 HG3 MET A 14 -8.141 -6.389 2.873 1.00 0.49 H new ATOM 0 HE1 MET A 14 -7.607 -9.441 0.693 1.00 0.69 H new ATOM 0 HE2 MET A 14 -7.553 -9.923 2.405 1.00 0.69 H new ATOM 0 HE3 MET A 14 -8.678 -8.650 1.874 1.00 0.69 H new ATOM 221 N GLY A 15 -5.068 -4.678 6.343 1.00 0.27 N ATOM 222 CA GLY A 15 -4.007 -3.998 7.043 1.00 0.27 C ATOM 223 C GLY A 15 -3.724 -4.612 8.390 1.00 0.24 C ATOM 224 O GLY A 15 -4.125 -5.745 8.655 1.00 0.31 O ATOM 0 H GLY A 15 -5.107 -5.686 6.497 1.00 0.27 H new ATOM 0 HA2 GLY A 15 -3.101 -4.023 6.437 1.00 0.27 H new ATOM 0 HA3 GLY A 15 -4.275 -2.949 7.173 1.00 0.27 H new ATOM 228 N HIS A 16 -3.023 -3.876 9.233 1.00 0.20 N ATOM 229 CA HIS A 16 -2.662 -4.379 10.553 1.00 0.17 C ATOM 230 C HIS A 16 -3.627 -3.897 11.633 1.00 0.19 C ATOM 231 O HIS A 16 -4.370 -2.929 11.456 1.00 0.22 O ATOM 232 CB HIS A 16 -1.237 -3.956 10.909 1.00 0.17 C ATOM 233 CG HIS A 16 -0.692 -4.614 12.146 1.00 0.16 C ATOM 234 ND1 HIS A 16 -0.098 -4.053 13.218 1.00 0.16 N flip ATOM 235 CD2 HIS A 16 -0.759 -5.975 12.336 1.00 0.19 C flip ATOM 236 CE1 HIS A 16 0.207 -5.063 14.087 1.00 0.19 C flip ATOM 237 NE2 HIS A 16 -0.207 -6.200 13.519 1.00 0.22 N flip ATOM 0 H HIS A 16 -2.692 -2.932 9.032 1.00 0.20 H new ATOM 0 HA HIS A 16 -2.723 -5.467 10.512 1.00 0.17 H new ATOM 0 HB2 HIS A 16 -0.581 -4.186 10.069 1.00 0.17 H new ATOM 0 HB3 HIS A 16 -1.214 -2.875 11.045 1.00 0.17 H new ATOM 0 HD1 HIS A 16 0.089 -3.060 13.355 1.00 0.16 H new ATOM 0 HD2 HIS A 16 -1.175 -6.708 11.661 1.00 0.19 H new ATOM 0 HE1 HIS A 16 0.690 -4.962 15.048 1.00 0.19 H new ATOM 245 N VAL A 17 -3.596 -4.606 12.746 1.00 0.20 N ATOM 246 CA VAL A 17 -4.344 -4.257 13.943 1.00 0.25 C ATOM 247 C VAL A 17 -3.693 -3.063 14.626 1.00 0.26 C ATOM 248 O VAL A 17 -2.490 -2.860 14.483 1.00 0.25 O ATOM 249 CB VAL A 17 -4.366 -5.465 14.896 1.00 0.29 C ATOM 250 CG1 VAL A 17 -2.955 -5.876 15.283 1.00 0.30 C ATOM 251 CG2 VAL A 17 -5.173 -5.202 16.139 1.00 0.36 C ATOM 0 H VAL A 17 -3.041 -5.456 12.847 1.00 0.20 H new ATOM 0 HA VAL A 17 -5.366 -3.992 13.673 1.00 0.25 H new ATOM 0 HB VAL A 17 -4.846 -6.278 14.352 1.00 0.29 H new ATOM 0 HG11 VAL A 17 -2.997 -6.732 15.957 1.00 0.30 H new ATOM 0 HG12 VAL A 17 -2.396 -6.147 14.387 1.00 0.30 H new ATOM 0 HG13 VAL A 17 -2.458 -5.045 15.783 1.00 0.30 H new ATOM 0 HG21 VAL A 17 -5.156 -6.085 16.777 1.00 0.36 H new ATOM 0 HG22 VAL A 17 -4.746 -4.357 16.678 1.00 0.36 H new ATOM 0 HG23 VAL A 17 -6.202 -4.973 15.863 1.00 0.36 H new ATOM 261 N ASP A 18 -4.491 -2.260 15.335 1.00 0.31 N ATOM 262 CA ASP A 18 -4.000 -1.045 16.004 1.00 0.36 C ATOM 263 C ASP A 18 -3.712 0.052 14.982 1.00 0.34 C ATOM 264 O ASP A 18 -3.791 1.244 15.283 1.00 0.41 O ATOM 265 CB ASP A 18 -2.757 -1.349 16.854 1.00 0.42 C ATOM 266 CG ASP A 18 -2.118 -0.107 17.441 1.00 0.55 C ATOM 267 OD1 ASP A 18 -2.503 0.300 18.560 1.00 0.69 O ATOM 268 OD2 ASP A 18 -1.230 0.477 16.783 1.00 0.59 O ATOM 0 H ASP A 18 -5.489 -2.429 15.463 1.00 0.31 H new ATOM 0 HA ASP A 18 -4.781 -0.686 16.675 1.00 0.36 H new ATOM 0 HB2 ASP A 18 -3.034 -2.024 17.663 1.00 0.42 H new ATOM 0 HB3 ASP A 18 -2.024 -1.872 16.240 1.00 0.42 H new ATOM 273 N HIS A 19 -3.395 -0.355 13.760 1.00 0.29 N ATOM 274 CA HIS A 19 -3.283 0.577 12.654 1.00 0.32 C ATOM 275 C HIS A 19 -4.688 0.941 12.187 1.00 0.43 C ATOM 276 O HIS A 19 -4.878 1.843 11.378 1.00 0.63 O ATOM 277 CB HIS A 19 -2.471 -0.010 11.494 1.00 0.29 C ATOM 278 CG HIS A 19 -1.095 -0.465 11.868 1.00 0.22 C ATOM 279 ND1 HIS A 19 -0.187 -0.838 10.909 1.00 0.27 N ATOM 280 CD2 HIS A 19 -0.523 -0.590 13.089 1.00 0.21 C ATOM 281 CE1 HIS A 19 0.907 -1.180 11.560 1.00 0.26 C ATOM 282 NE2 HIS A 19 0.749 -1.046 12.879 1.00 0.24 N ATOM 0 H HIS A 19 -3.211 -1.327 13.513 1.00 0.29 H new ATOM 0 HA HIS A 19 -2.753 1.467 12.994 1.00 0.32 H new ATOM 0 HB2 HIS A 19 -3.018 -0.855 11.075 1.00 0.29 H new ATOM 0 HB3 HIS A 19 -2.391 0.740 10.707 1.00 0.29 H new ATOM 0 HD2 HIS A 19 -0.982 -0.372 14.042 1.00 0.21 H new ATOM 0 HE1 HIS A 19 1.815 -1.524 11.087 1.00 0.26 H new ATOM 0 HE2 HIS A 19 1.446 -1.246 13.596 1.00 0.24 H new ATOM 290 N GLY A 20 -5.670 0.207 12.698 1.00 0.42 N ATOM 291 CA GLY A 20 -7.048 0.578 12.491 1.00 0.54 C ATOM 292 C GLY A 20 -7.831 -0.396 11.645 1.00 0.57 C ATOM 293 O GLY A 20 -8.470 0.010 10.681 1.00 0.79 O ATOM 0 H GLY A 20 -5.531 -0.638 13.252 1.00 0.42 H new ATOM 0 HA2 GLY A 20 -7.536 0.674 13.461 1.00 0.54 H new ATOM 0 HA3 GLY A 20 -7.081 1.560 12.019 1.00 0.54 H new ATOM 297 N LYS A 21 -7.798 -1.678 11.997 1.00 0.61 N ATOM 298 CA LYS A 21 -8.611 -2.667 11.302 1.00 0.95 C ATOM 299 C LYS A 21 -10.084 -2.252 11.270 1.00 0.89 C ATOM 300 O LYS A 21 -10.654 -2.035 10.202 1.00 1.05 O ATOM 301 CB LYS A 21 -8.465 -4.024 11.980 1.00 1.36 C ATOM 302 CG LYS A 21 -8.366 -5.162 10.992 1.00 1.79 C ATOM 303 CD LYS A 21 -7.178 -4.955 10.078 1.00 2.30 C ATOM 304 CE LYS A 21 -7.192 -5.912 8.906 1.00 2.66 C ATOM 305 NZ LYS A 21 -7.058 -7.329 9.336 1.00 3.31 N ATOM 0 H LYS A 21 -7.223 -2.052 12.752 1.00 0.61 H new ATOM 0 HA LYS A 21 -8.259 -2.735 10.273 1.00 0.95 H new ATOM 0 HB2 LYS A 21 -7.576 -4.017 12.610 1.00 1.36 H new ATOM 0 HB3 LYS A 21 -9.319 -4.191 12.636 1.00 1.36 H new ATOM 0 HG2 LYS A 21 -8.265 -6.108 11.524 1.00 1.79 H new ATOM 0 HG3 LYS A 21 -9.281 -5.224 10.403 1.00 1.79 H new ATOM 0 HD2 LYS A 21 -7.179 -3.929 9.709 1.00 2.30 H new ATOM 0 HD3 LYS A 21 -6.257 -5.089 10.645 1.00 2.30 H new ATOM 0 HE2 LYS A 21 -8.121 -5.789 8.350 1.00 2.66 H new ATOM 0 HE3 LYS A 21 -6.378 -5.662 8.225 1.00 2.66 H new ATOM 0 HZ1 LYS A 21 -7.038 -7.946 8.499 1.00 3.31 H new ATOM 0 HZ2 LYS A 21 -6.175 -7.447 9.873 1.00 3.31 H new ATOM 0 HZ3 LYS A 21 -7.866 -7.587 9.937 1.00 3.31 H new ATOM 319 N THR A 22 -10.695 -2.145 12.440 1.00 0.84 N ATOM 320 CA THR A 22 -12.085 -1.731 12.537 1.00 0.87 C ATOM 321 C THR A 22 -12.194 -0.232 12.814 1.00 0.79 C ATOM 322 O THR A 22 -13.130 0.422 12.362 1.00 0.79 O ATOM 323 CB THR A 22 -12.808 -2.519 13.644 1.00 1.02 C ATOM 324 OG1 THR A 22 -12.586 -3.922 13.447 1.00 1.21 O ATOM 325 CG2 THR A 22 -14.304 -2.239 13.637 1.00 1.18 C ATOM 0 H THR A 22 -10.249 -2.340 13.336 1.00 0.84 H new ATOM 0 HA THR A 22 -12.562 -1.942 11.580 1.00 0.87 H new ATOM 0 HB THR A 22 -12.407 -2.203 14.607 1.00 1.02 H new ATOM 0 HG1 THR A 22 -13.043 -4.428 14.151 1.00 1.21 H new ATOM 0 HG21 THR A 22 -14.785 -2.811 14.431 1.00 1.18 H new ATOM 0 HG22 THR A 22 -14.476 -1.175 13.801 1.00 1.18 H new ATOM 0 HG23 THR A 22 -14.724 -2.530 12.674 1.00 1.18 H new ATOM 333 N THR A 23 -11.222 0.310 13.542 1.00 0.75 N ATOM 334 CA THR A 23 -11.214 1.725 13.898 1.00 0.75 C ATOM 335 C THR A 23 -11.211 2.649 12.678 1.00 0.67 C ATOM 336 O THR A 23 -11.580 3.809 12.790 1.00 0.66 O ATOM 337 CB THR A 23 -10.010 2.052 14.784 1.00 0.82 C ATOM 338 OG1 THR A 23 -9.064 0.974 14.732 1.00 1.25 O ATOM 339 CG2 THR A 23 -10.441 2.301 16.222 1.00 1.17 C ATOM 0 H THR A 23 -10.424 -0.215 13.899 1.00 0.75 H new ATOM 0 HA THR A 23 -12.140 1.905 14.444 1.00 0.75 H new ATOM 0 HB THR A 23 -9.543 2.963 14.409 1.00 0.82 H new ATOM 0 HG1 THR A 23 -8.229 1.250 15.165 1.00 1.25 H new ATOM 0 HG21 THR A 23 -9.566 2.531 16.830 1.00 1.17 H new ATOM 0 HG22 THR A 23 -11.135 3.141 16.254 1.00 1.17 H new ATOM 0 HG23 THR A 23 -10.931 1.410 16.614 1.00 1.17 H new ATOM 347 N LEU A 24 -10.797 2.144 11.521 1.00 0.65 N ATOM 348 CA LEU A 24 -10.853 2.927 10.290 1.00 0.63 C ATOM 349 C LEU A 24 -12.281 3.022 9.802 1.00 0.64 C ATOM 350 O LEU A 24 -12.706 4.053 9.298 1.00 0.65 O ATOM 351 CB LEU A 24 -9.973 2.306 9.229 1.00 0.67 C ATOM 352 CG LEU A 24 -8.660 3.042 8.945 1.00 0.84 C ATOM 353 CD1 LEU A 24 -8.938 4.393 8.308 1.00 1.49 C ATOM 354 CD2 LEU A 24 -7.848 3.218 10.220 1.00 1.30 C ATOM 0 H LEU A 24 -10.421 1.202 11.409 1.00 0.65 H new ATOM 0 HA LEU A 24 -10.485 3.932 10.496 1.00 0.63 H new ATOM 0 HB2 LEU A 24 -9.739 1.285 9.529 1.00 0.67 H new ATOM 0 HB3 LEU A 24 -10.542 2.244 8.301 1.00 0.67 H new ATOM 0 HG LEU A 24 -8.077 2.438 8.250 1.00 0.84 H new ATOM 0 HD11 LEU A 24 -7.995 4.904 8.112 1.00 1.49 H new ATOM 0 HD12 LEU A 24 -9.475 4.250 7.370 1.00 1.49 H new ATOM 0 HD13 LEU A 24 -9.544 4.996 8.984 1.00 1.49 H new ATOM 0 HD21 LEU A 24 -6.921 3.743 9.991 1.00 1.30 H new ATOM 0 HD22 LEU A 24 -8.424 3.797 10.941 1.00 1.30 H new ATOM 0 HD23 LEU A 24 -7.616 2.240 10.642 1.00 1.30 H new ATOM 366 N LEU A 25 -13.028 1.949 9.997 1.00 0.68 N ATOM 367 CA LEU A 25 -14.438 1.923 9.651 1.00 0.75 C ATOM 368 C LEU A 25 -15.227 2.741 10.670 1.00 0.74 C ATOM 369 O LEU A 25 -16.377 3.109 10.435 1.00 0.82 O ATOM 370 CB LEU A 25 -14.944 0.477 9.625 1.00 0.85 C ATOM 371 CG LEU A 25 -15.680 0.067 8.351 1.00 0.92 C ATOM 372 CD1 LEU A 25 -16.977 0.842 8.209 1.00 1.63 C ATOM 373 CD2 LEU A 25 -14.787 0.280 7.140 1.00 1.69 C ATOM 0 H LEU A 25 -12.678 1.078 10.396 1.00 0.68 H new ATOM 0 HA LEU A 25 -14.576 2.357 8.661 1.00 0.75 H new ATOM 0 HB2 LEU A 25 -14.094 -0.191 9.765 1.00 0.85 H new ATOM 0 HB3 LEU A 25 -15.610 0.327 10.474 1.00 0.85 H new ATOM 0 HG LEU A 25 -15.928 -0.993 8.416 1.00 0.92 H new ATOM 0 HD11 LEU A 25 -17.486 0.535 7.295 1.00 1.63 H new ATOM 0 HD12 LEU A 25 -17.618 0.639 9.067 1.00 1.63 H new ATOM 0 HD13 LEU A 25 -16.760 1.909 8.163 1.00 1.63 H new ATOM 0 HD21 LEU A 25 -15.322 -0.016 6.237 1.00 1.69 H new ATOM 0 HD22 LEU A 25 -14.512 1.333 7.071 1.00 1.69 H new ATOM 0 HD23 LEU A 25 -13.885 -0.324 7.242 1.00 1.69 H new ATOM 385 N ASP A 26 -14.585 3.035 11.793 1.00 0.71 N ATOM 386 CA ASP A 26 -15.194 3.820 12.856 1.00 0.75 C ATOM 387 C ASP A 26 -14.773 5.264 12.714 1.00 0.70 C ATOM 388 O ASP A 26 -15.521 6.184 13.042 1.00 0.76 O ATOM 389 CB ASP A 26 -14.782 3.292 14.223 1.00 0.81 C ATOM 390 CG ASP A 26 -15.607 2.105 14.678 1.00 1.01 C ATOM 391 OD1 ASP A 26 -16.851 2.176 14.594 1.00 1.13 O ATOM 392 OD2 ASP A 26 -15.017 1.087 15.091 1.00 1.23 O ATOM 0 H ASP A 26 -13.630 2.736 11.991 1.00 0.71 H new ATOM 0 HA ASP A 26 -16.278 3.742 12.774 1.00 0.75 H new ATOM 0 HB2 ASP A 26 -13.731 3.005 14.193 1.00 0.81 H new ATOM 0 HB3 ASP A 26 -14.873 4.093 14.957 1.00 0.81 H new ATOM 397 N ALA A 27 -13.565 5.451 12.213 1.00 0.63 N ATOM 398 CA ALA A 27 -13.050 6.775 11.934 1.00 0.61 C ATOM 399 C ALA A 27 -13.758 7.335 10.714 1.00 0.58 C ATOM 400 O ALA A 27 -14.246 8.464 10.720 1.00 0.62 O ATOM 401 CB ALA A 27 -11.556 6.693 11.700 1.00 0.61 C ATOM 0 H ALA A 27 -12.919 4.694 11.990 1.00 0.63 H new ATOM 0 HA ALA A 27 -13.232 7.438 12.780 1.00 0.61 H new ATOM 0 HB1 ALA A 27 -11.165 7.689 11.490 1.00 0.61 H new ATOM 0 HB2 ALA A 27 -11.070 6.293 12.590 1.00 0.61 H new ATOM 0 HB3 ALA A 27 -11.356 6.038 10.852 1.00 0.61 H new ATOM 407 N ILE A 28 -13.833 6.501 9.686 1.00 0.56 N ATOM 408 CA ILE A 28 -14.511 6.824 8.438 1.00 0.57 C ATOM 409 C ILE A 28 -15.984 7.138 8.702 1.00 0.64 C ATOM 410 O ILE A 28 -16.623 7.892 7.968 1.00 0.71 O ATOM 411 CB ILE A 28 -14.371 5.624 7.466 1.00 0.61 C ATOM 412 CG1 ILE A 28 -14.280 6.076 6.017 1.00 0.84 C ATOM 413 CG2 ILE A 28 -15.516 4.631 7.626 1.00 1.02 C ATOM 414 CD1 ILE A 28 -13.807 4.964 5.112 1.00 0.85 C ATOM 0 H ILE A 28 -13.419 5.569 9.695 1.00 0.56 H new ATOM 0 HA ILE A 28 -14.056 7.707 7.988 1.00 0.57 H new ATOM 0 HB ILE A 28 -13.439 5.124 7.730 1.00 0.61 H new ATOM 0 HG12 ILE A 28 -15.257 6.426 5.683 1.00 0.84 H new ATOM 0 HG13 ILE A 28 -13.596 6.921 5.942 1.00 0.84 H new ATOM 0 HG21 ILE A 28 -15.381 3.805 6.928 1.00 1.02 H new ATOM 0 HG22 ILE A 28 -15.524 4.246 8.646 1.00 1.02 H new ATOM 0 HG23 ILE A 28 -16.462 5.131 7.419 1.00 1.02 H new ATOM 0 HD11 ILE A 28 -13.755 5.327 4.086 1.00 0.85 H new ATOM 0 HD12 ILE A 28 -12.819 4.632 5.430 1.00 0.85 H new ATOM 0 HD13 ILE A 28 -14.505 4.129 5.167 1.00 0.85 H new ATOM 1221 N ILE A 81 -9.778 -3.722 -5.557 1.00 0.63 N ATOM 1222 CA ILE A 81 -8.922 -2.677 -5.036 1.00 0.42 C ATOM 1223 C ILE A 81 -8.690 -2.901 -3.557 1.00 0.38 C ATOM 1224 O ILE A 81 -9.583 -2.662 -2.741 1.00 0.57 O ATOM 1225 CB ILE A 81 -9.539 -1.280 -5.241 1.00 0.42 C ATOM 1226 CG1 ILE A 81 -9.988 -1.104 -6.693 1.00 0.56 C ATOM 1227 CG2 ILE A 81 -8.528 -0.204 -4.862 1.00 0.50 C ATOM 1228 CD1 ILE A 81 -10.800 0.150 -6.927 1.00 0.71 C ATOM 0 HA ILE A 81 -7.979 -2.718 -5.581 1.00 0.42 H new ATOM 0 HB ILE A 81 -10.413 -1.183 -4.597 1.00 0.42 H new ATOM 0 HG12 ILE A 81 -9.109 -1.083 -7.337 1.00 0.56 H new ATOM 0 HG13 ILE A 81 -10.579 -1.970 -6.989 1.00 0.56 H new ATOM 0 HG21 ILE A 81 -8.972 0.781 -5.010 1.00 0.50 H new ATOM 0 HG22 ILE A 81 -8.246 -0.322 -3.816 1.00 0.50 H new ATOM 0 HG23 ILE A 81 -7.642 -0.300 -5.489 1.00 0.50 H new ATOM 0 HD11 ILE A 81 -11.084 0.209 -7.978 1.00 0.71 H new ATOM 0 HD12 ILE A 81 -11.698 0.122 -6.310 1.00 0.71 H new ATOM 0 HD13 ILE A 81 -10.204 1.024 -6.662 1.00 0.71 H new ATOM 1240 N VAL A 82 -7.502 -3.356 -3.204 1.00 0.27 N ATOM 1241 CA VAL A 82 -7.220 -3.652 -1.813 1.00 0.28 C ATOM 1242 C VAL A 82 -6.580 -2.476 -1.125 1.00 0.23 C ATOM 1243 O VAL A 82 -5.475 -2.062 -1.461 1.00 0.26 O ATOM 1244 CB VAL A 82 -6.341 -4.902 -1.637 1.00 0.35 C ATOM 1245 CG1 VAL A 82 -5.790 -4.997 -0.215 1.00 1.02 C ATOM 1246 CG2 VAL A 82 -7.162 -6.123 -1.955 1.00 1.17 C ATOM 0 H VAL A 82 -6.730 -3.526 -3.848 1.00 0.27 H new ATOM 0 HA VAL A 82 -8.183 -3.859 -1.347 1.00 0.28 H new ATOM 0 HB VAL A 82 -5.492 -4.834 -2.317 1.00 0.35 H new ATOM 0 HG11 VAL A 82 -5.173 -5.891 -0.123 1.00 1.02 H new ATOM 0 HG12 VAL A 82 -5.186 -4.116 0.001 1.00 1.02 H new ATOM 0 HG13 VAL A 82 -6.617 -5.052 0.493 1.00 1.02 H new ATOM 0 HG21 VAL A 82 -6.549 -7.016 -1.833 1.00 1.17 H new ATOM 0 HG22 VAL A 82 -8.015 -6.174 -1.278 1.00 1.17 H new ATOM 0 HG23 VAL A 82 -7.518 -6.064 -2.984 1.00 1.17 H new ATOM 1256 N ILE A 83 -7.298 -1.937 -0.173 1.00 0.22 N ATOM 1257 CA ILE A 83 -6.763 -0.912 0.686 1.00 0.19 C ATOM 1258 C ILE A 83 -5.975 -1.545 1.794 1.00 0.19 C ATOM 1259 O ILE A 83 -6.465 -2.414 2.506 1.00 0.24 O ATOM 1260 CB ILE A 83 -7.844 0.005 1.277 1.00 0.22 C ATOM 1261 CG1 ILE A 83 -8.413 0.851 0.157 1.00 0.27 C ATOM 1262 CG2 ILE A 83 -7.266 0.884 2.389 1.00 0.24 C ATOM 1263 CD1 ILE A 83 -9.366 1.935 0.616 1.00 0.37 C ATOM 0 H ILE A 83 -8.264 -2.194 0.028 1.00 0.22 H new ATOM 0 HA ILE A 83 -6.120 -0.284 0.069 1.00 0.19 H new ATOM 0 HB ILE A 83 -8.636 -0.596 1.724 1.00 0.22 H new ATOM 0 HG12 ILE A 83 -7.590 1.314 -0.387 1.00 0.27 H new ATOM 0 HG13 ILE A 83 -8.933 0.200 -0.546 1.00 0.27 H new ATOM 0 HG21 ILE A 83 -8.051 1.524 2.792 1.00 0.24 H new ATOM 0 HG22 ILE A 83 -6.870 0.252 3.184 1.00 0.24 H new ATOM 0 HG23 ILE A 83 -6.465 1.503 1.984 1.00 0.24 H new ATOM 0 HD11 ILE A 83 -9.726 2.493 -0.248 1.00 0.37 H new ATOM 0 HD12 ILE A 83 -10.211 1.481 1.133 1.00 0.37 H new ATOM 0 HD13 ILE A 83 -8.847 2.612 1.294 1.00 0.37 H new ATOM 1275 N LEU A 84 -4.752 -1.111 1.923 1.00 0.19 N ATOM 1276 CA LEU A 84 -3.873 -1.650 2.917 1.00 0.23 C ATOM 1277 C LEU A 84 -3.551 -0.552 3.922 1.00 0.24 C ATOM 1278 O LEU A 84 -2.830 0.398 3.622 1.00 0.31 O ATOM 1279 CB LEU A 84 -2.628 -2.235 2.230 1.00 0.39 C ATOM 1280 CG LEU A 84 -1.530 -2.787 3.139 1.00 0.31 C ATOM 1281 CD1 LEU A 84 -0.649 -1.656 3.603 1.00 0.91 C ATOM 1282 CD2 LEU A 84 -2.114 -3.541 4.328 1.00 1.01 C ATOM 0 H LEU A 84 -4.341 -0.378 1.345 1.00 0.19 H new ATOM 0 HA LEU A 84 -4.338 -2.469 3.466 1.00 0.23 H new ATOM 0 HB2 LEU A 84 -2.952 -3.036 1.566 1.00 0.39 H new ATOM 0 HB3 LEU A 84 -2.190 -1.458 1.603 1.00 0.39 H new ATOM 0 HG LEU A 84 -0.933 -3.499 2.569 1.00 0.31 H new ATOM 0 HD11 LEU A 84 0.135 -2.048 4.251 1.00 0.91 H new ATOM 0 HD12 LEU A 84 -0.196 -1.170 2.739 1.00 0.91 H new ATOM 0 HD13 LEU A 84 -1.248 -0.931 4.155 1.00 0.91 H new ATOM 0 HD21 LEU A 84 -1.304 -3.919 4.952 1.00 1.01 H new ATOM 0 HD22 LEU A 84 -2.740 -2.868 4.914 1.00 1.01 H new ATOM 0 HD23 LEU A 84 -2.716 -4.376 3.969 1.00 1.01 H new ATOM 1294 N VAL A 85 -4.143 -0.666 5.091 1.00 0.21 N ATOM 1295 CA VAL A 85 -3.975 0.316 6.138 1.00 0.27 C ATOM 1296 C VAL A 85 -2.768 -0.012 7.001 1.00 0.25 C ATOM 1297 O VAL A 85 -2.766 -1.003 7.739 1.00 0.29 O ATOM 1298 CB VAL A 85 -5.234 0.389 7.020 1.00 0.34 C ATOM 1299 CG1 VAL A 85 -5.059 1.427 8.104 1.00 0.43 C ATOM 1300 CG2 VAL A 85 -6.464 0.695 6.178 1.00 0.40 C ATOM 0 H VAL A 85 -4.755 -1.443 5.342 1.00 0.21 H new ATOM 0 HA VAL A 85 -3.815 1.284 5.663 1.00 0.27 H new ATOM 0 HB VAL A 85 -5.379 -0.582 7.493 1.00 0.34 H new ATOM 0 HG11 VAL A 85 -5.958 1.466 8.719 1.00 0.43 H new ATOM 0 HG12 VAL A 85 -4.205 1.162 8.727 1.00 0.43 H new ATOM 0 HG13 VAL A 85 -4.888 2.403 7.649 1.00 0.43 H new ATOM 0 HG21 VAL A 85 -7.343 0.742 6.821 1.00 0.40 H new ATOM 0 HG22 VAL A 85 -6.331 1.653 5.674 1.00 0.40 H new ATOM 0 HG23 VAL A 85 -6.600 -0.090 5.434 1.00 0.40 H new ATOM 1310 N VAL A 86 -1.732 0.800 6.876 1.00 0.22 N ATOM 1311 CA VAL A 86 -0.556 0.665 7.709 1.00 0.20 C ATOM 1312 C VAL A 86 -0.291 1.931 8.498 1.00 0.17 C ATOM 1313 O VAL A 86 -0.378 3.038 7.970 1.00 0.22 O ATOM 1314 CB VAL A 86 0.697 0.338 6.884 1.00 0.23 C ATOM 1315 CG1 VAL A 86 0.754 -1.142 6.577 1.00 0.49 C ATOM 1316 CG2 VAL A 86 0.728 1.154 5.603 1.00 0.64 C ATOM 0 H VAL A 86 -1.685 1.563 6.201 1.00 0.22 H new ATOM 0 HA VAL A 86 -0.762 -0.160 8.391 1.00 0.20 H new ATOM 0 HB VAL A 86 1.575 0.602 7.473 1.00 0.23 H new ATOM 0 HG11 VAL A 86 1.648 -1.358 5.992 1.00 0.49 H new ATOM 0 HG12 VAL A 86 0.786 -1.706 7.509 1.00 0.49 H new ATOM 0 HG13 VAL A 86 -0.130 -1.430 6.009 1.00 0.49 H new ATOM 0 HG21 VAL A 86 1.624 0.906 5.035 1.00 0.64 H new ATOM 0 HG22 VAL A 86 -0.155 0.927 5.005 1.00 0.64 H new ATOM 0 HG23 VAL A 86 0.737 2.216 5.848 1.00 0.64 H new ATOM 1326 N ALA A 87 0.021 1.765 9.761 1.00 0.17 N ATOM 1327 CA ALA A 87 0.407 2.879 10.599 1.00 0.18 C ATOM 1328 C ALA A 87 1.815 3.322 10.245 1.00 0.16 C ATOM 1329 O ALA A 87 2.706 2.489 10.117 1.00 0.24 O ATOM 1330 CB ALA A 87 0.333 2.474 12.060 1.00 0.28 C ATOM 0 H ALA A 87 0.015 0.862 10.236 1.00 0.17 H new ATOM 0 HA ALA A 87 -0.277 3.711 10.432 1.00 0.18 H new ATOM 0 HB1 ALA A 87 0.625 3.317 12.686 1.00 0.28 H new ATOM 0 HB2 ALA A 87 -0.687 2.177 12.304 1.00 0.28 H new ATOM 0 HB3 ALA A 87 1.008 1.637 12.240 1.00 0.28 H new ATOM 1336 N ALA A 88 2.034 4.623 10.104 1.00 0.12 N ATOM 1337 CA ALA A 88 3.365 5.111 9.763 1.00 0.14 C ATOM 1338 C ALA A 88 4.236 5.113 10.986 1.00 0.16 C ATOM 1339 O ALA A 88 5.443 5.340 10.912 1.00 0.22 O ATOM 1340 CB ALA A 88 3.308 6.505 9.188 1.00 0.17 C ATOM 0 H ALA A 88 1.324 5.347 10.217 1.00 0.12 H new ATOM 0 HA ALA A 88 3.784 4.444 9.009 1.00 0.14 H new ATOM 0 HB1 ALA A 88 4.316 6.840 8.944 1.00 0.17 H new ATOM 0 HB2 ALA A 88 2.699 6.501 8.284 1.00 0.17 H new ATOM 0 HB3 ALA A 88 2.868 7.183 9.920 1.00 0.17 H new ATOM 1346 N ASP A 89 3.608 4.879 12.112 1.00 0.16 N ATOM 1347 CA ASP A 89 4.325 4.847 13.368 1.00 0.21 C ATOM 1348 C ASP A 89 4.833 3.430 13.656 1.00 0.22 C ATOM 1349 O ASP A 89 5.646 3.222 14.557 1.00 0.37 O ATOM 1350 CB ASP A 89 3.425 5.342 14.508 1.00 0.30 C ATOM 1351 CG ASP A 89 2.813 4.216 15.325 1.00 0.39 C ATOM 1352 OD1 ASP A 89 2.105 3.375 14.738 1.00 0.47 O ATOM 1353 OD2 ASP A 89 3.043 4.160 16.550 1.00 0.58 O ATOM 0 H ASP A 89 2.605 4.708 12.187 1.00 0.16 H new ATOM 0 HA ASP A 89 5.186 5.512 13.296 1.00 0.21 H new ATOM 0 HB2 ASP A 89 4.007 5.985 15.168 1.00 0.30 H new ATOM 0 HB3 ASP A 89 2.626 5.954 14.090 1.00 0.30 H new ATOM 1358 N ASP A 90 4.367 2.466 12.858 1.00 0.19 N ATOM 1359 CA ASP A 90 4.655 1.053 13.105 1.00 0.23 C ATOM 1360 C ASP A 90 5.097 0.345 11.818 1.00 0.25 C ATOM 1361 O ASP A 90 6.205 -0.183 11.749 1.00 0.42 O ATOM 1362 CB ASP A 90 3.417 0.384 13.699 1.00 0.26 C ATOM 1363 CG ASP A 90 3.729 -0.927 14.385 1.00 0.36 C ATOM 1364 OD1 ASP A 90 4.802 -1.023 15.015 1.00 0.56 O ATOM 1365 OD2 ASP A 90 2.927 -1.875 14.258 1.00 0.46 O ATOM 0 H ASP A 90 3.789 2.639 12.036 1.00 0.19 H new ATOM 0 HA ASP A 90 5.479 0.977 13.814 1.00 0.23 H new ATOM 0 HB2 ASP A 90 2.952 1.062 14.415 1.00 0.26 H new ATOM 0 HB3 ASP A 90 2.689 0.210 12.907 1.00 0.26 H new ATOM 1370 N GLY A 91 4.240 0.346 10.800 1.00 0.20 N ATOM 1371 CA GLY A 91 4.623 -0.183 9.495 1.00 0.21 C ATOM 1372 C GLY A 91 3.942 -1.495 9.146 1.00 0.22 C ATOM 1373 O GLY A 91 2.739 -1.645 9.327 1.00 0.37 O ATOM 0 H GLY A 91 3.286 0.703 10.852 1.00 0.20 H new ATOM 0 HA2 GLY A 91 4.385 0.555 8.729 1.00 0.21 H new ATOM 0 HA3 GLY A 91 5.703 -0.327 9.474 1.00 0.21 H new ATOM 1377 N VAL A 92 4.717 -2.437 8.631 1.00 0.26 N ATOM 1378 CA VAL A 92 4.200 -3.733 8.198 1.00 0.26 C ATOM 1379 C VAL A 92 4.466 -4.793 9.248 1.00 0.24 C ATOM 1380 O VAL A 92 5.584 -4.943 9.753 1.00 0.28 O ATOM 1381 CB VAL A 92 4.820 -4.150 6.853 1.00 0.32 C ATOM 1382 CG1 VAL A 92 4.568 -5.624 6.554 1.00 0.96 C ATOM 1383 CG2 VAL A 92 4.249 -3.287 5.746 1.00 1.03 C ATOM 0 H VAL A 92 5.723 -2.328 8.500 1.00 0.26 H new ATOM 0 HA VAL A 92 3.122 -3.637 8.065 1.00 0.26 H new ATOM 0 HB VAL A 92 5.899 -4.006 6.913 1.00 0.32 H new ATOM 0 HG11 VAL A 92 5.020 -5.883 5.597 1.00 0.96 H new ATOM 0 HG12 VAL A 92 5.009 -6.236 7.341 1.00 0.96 H new ATOM 0 HG13 VAL A 92 3.495 -5.808 6.510 1.00 0.96 H new ATOM 0 HG21 VAL A 92 4.687 -3.581 4.792 1.00 1.03 H new ATOM 0 HG22 VAL A 92 3.168 -3.418 5.704 1.00 1.03 H new ATOM 0 HG23 VAL A 92 4.481 -2.241 5.944 1.00 1.03 H new ATOM 1393 N MET A 93 3.419 -5.526 9.555 1.00 0.22 N ATOM 1394 CA MET A 93 3.408 -6.474 10.653 1.00 0.22 C ATOM 1395 C MET A 93 2.786 -7.797 10.179 1.00 0.22 C ATOM 1396 O MET A 93 2.387 -7.898 9.014 1.00 0.23 O ATOM 1397 CB MET A 93 2.605 -5.849 11.795 1.00 0.21 C ATOM 1398 CG MET A 93 3.070 -4.445 12.156 1.00 0.23 C ATOM 1399 SD MET A 93 4.603 -4.448 13.088 1.00 0.28 S ATOM 1400 CE MET A 93 3.963 -4.912 14.689 1.00 0.27 C ATOM 0 H MET A 93 2.538 -5.482 9.043 1.00 0.22 H new ATOM 0 HA MET A 93 4.417 -6.694 11.002 1.00 0.22 H new ATOM 0 HB2 MET A 93 1.552 -5.815 11.514 1.00 0.21 H new ATOM 0 HB3 MET A 93 2.680 -6.487 12.675 1.00 0.21 H new ATOM 0 HG2 MET A 93 3.204 -3.864 11.243 1.00 0.23 H new ATOM 0 HG3 MET A 93 2.295 -3.948 12.739 1.00 0.23 H new ATOM 0 HE1 MET A 93 4.140 -4.104 15.399 1.00 0.27 H new ATOM 0 HE2 MET A 93 2.892 -5.100 14.612 1.00 0.27 H new ATOM 0 HE3 MET A 93 4.466 -5.815 15.034 1.00 0.27 H new ATOM 1410 N PRO A 94 2.699 -8.833 11.050 1.00 0.25 N ATOM 1411 CA PRO A 94 2.154 -10.155 10.684 1.00 0.30 C ATOM 1412 C PRO A 94 0.847 -10.111 9.887 1.00 0.28 C ATOM 1413 O PRO A 94 0.808 -10.527 8.732 1.00 0.31 O ATOM 1414 CB PRO A 94 1.923 -10.819 12.040 1.00 0.37 C ATOM 1415 CG PRO A 94 2.966 -10.233 12.920 1.00 0.58 C ATOM 1416 CD PRO A 94 3.164 -8.816 12.453 1.00 0.30 C ATOM 0 HA PRO A 94 2.839 -10.683 10.021 1.00 0.30 H new ATOM 0 HB2 PRO A 94 0.922 -10.612 12.418 1.00 0.37 H new ATOM 0 HB3 PRO A 94 2.022 -11.903 11.974 1.00 0.37 H new ATOM 0 HG2 PRO A 94 2.653 -10.258 13.964 1.00 0.58 H new ATOM 0 HG3 PRO A 94 3.895 -10.799 12.852 1.00 0.58 H new ATOM 0 HD2 PRO A 94 2.589 -8.113 13.056 1.00 0.30 H new ATOM 0 HD3 PRO A 94 4.209 -8.515 12.523 1.00 0.30 H new ATOM 1424 N GLN A 95 -0.230 -9.607 10.484 1.00 0.29 N ATOM 1425 CA GLN A 95 -1.522 -9.637 9.813 1.00 0.32 C ATOM 1426 C GLN A 95 -1.598 -8.587 8.711 1.00 0.31 C ATOM 1427 O GLN A 95 -2.524 -8.586 7.898 1.00 0.37 O ATOM 1428 CB GLN A 95 -2.673 -9.460 10.800 1.00 0.37 C ATOM 1429 CG GLN A 95 -2.884 -8.041 11.285 1.00 0.45 C ATOM 1430 CD GLN A 95 -4.227 -7.859 11.970 1.00 0.50 C ATOM 1431 OE1 GLN A 95 -5.225 -7.550 11.319 1.00 0.75 O ATOM 1432 NE2 GLN A 95 -4.273 -8.031 13.282 1.00 0.34 N ATOM 0 H GLN A 95 -0.234 -9.182 11.411 1.00 0.29 H new ATOM 0 HA GLN A 95 -1.621 -10.621 9.355 1.00 0.32 H new ATOM 0 HB2 GLN A 95 -3.593 -9.808 10.330 1.00 0.37 H new ATOM 0 HB3 GLN A 95 -2.494 -10.101 11.663 1.00 0.37 H new ATOM 0 HG2 GLN A 95 -2.086 -7.774 11.978 1.00 0.45 H new ATOM 0 HG3 GLN A 95 -2.814 -7.356 10.440 1.00 0.45 H new ATOM 0 HE21 GLN A 95 -3.428 -8.287 13.793 1.00 0.34 H new ATOM 0 HE22 GLN A 95 -5.153 -7.908 13.782 1.00 0.34 H new ATOM 1441 N THR A 96 -0.618 -7.703 8.693 1.00 0.26 N ATOM 1442 CA THR A 96 -0.508 -6.703 7.648 1.00 0.25 C ATOM 1443 C THR A 96 -0.130 -7.379 6.347 1.00 0.25 C ATOM 1444 O THR A 96 -0.757 -7.162 5.312 1.00 0.31 O ATOM 1445 CB THR A 96 0.556 -5.660 7.983 1.00 0.25 C ATOM 1446 OG1 THR A 96 0.682 -5.550 9.398 1.00 0.24 O ATOM 1447 CG2 THR A 96 0.181 -4.311 7.402 1.00 0.28 C ATOM 0 H THR A 96 0.119 -7.658 9.397 1.00 0.26 H new ATOM 0 HA THR A 96 -1.472 -6.202 7.559 1.00 0.25 H new ATOM 0 HB THR A 96 1.505 -5.975 7.550 1.00 0.25 H new ATOM 0 HG1 THR A 96 1.046 -4.669 9.627 1.00 0.24 H new ATOM 0 HG21 THR A 96 0.951 -3.581 7.651 1.00 0.28 H new ATOM 0 HG22 THR A 96 0.095 -4.393 6.318 1.00 0.28 H new ATOM 0 HG23 THR A 96 -0.773 -3.988 7.818 1.00 0.28 H new ATOM 1455 N VAL A 97 0.894 -8.216 6.408 1.00 0.25 N ATOM 1456 CA VAL A 97 1.341 -8.923 5.239 1.00 0.31 C ATOM 1457 C VAL A 97 0.379 -10.036 4.822 1.00 0.23 C ATOM 1458 O VAL A 97 0.291 -10.346 3.640 1.00 0.24 O ATOM 1459 CB VAL A 97 2.766 -9.476 5.406 1.00 0.48 C ATOM 1460 CG1 VAL A 97 2.939 -10.225 6.710 1.00 1.02 C ATOM 1461 CG2 VAL A 97 3.097 -10.377 4.244 1.00 1.38 C ATOM 0 H VAL A 97 1.424 -8.416 7.256 1.00 0.25 H new ATOM 0 HA VAL A 97 1.358 -8.186 4.436 1.00 0.31 H new ATOM 0 HB VAL A 97 3.451 -8.629 5.427 1.00 0.48 H new ATOM 0 HG11 VAL A 97 3.961 -10.597 6.783 1.00 1.02 H new ATOM 0 HG12 VAL A 97 2.736 -9.554 7.545 1.00 1.02 H new ATOM 0 HG13 VAL A 97 2.244 -11.064 6.742 1.00 1.02 H new ATOM 0 HG21 VAL A 97 4.107 -10.768 4.363 1.00 1.38 H new ATOM 0 HG22 VAL A 97 2.389 -11.205 4.212 1.00 1.38 H new ATOM 0 HG23 VAL A 97 3.035 -9.810 3.315 1.00 1.38 H new ATOM 1471 N GLU A 98 -0.357 -10.624 5.760 1.00 0.24 N ATOM 1472 CA GLU A 98 -1.352 -11.639 5.390 1.00 0.29 C ATOM 1473 C GLU A 98 -2.352 -11.036 4.411 1.00 0.31 C ATOM 1474 O GLU A 98 -2.898 -11.726 3.548 1.00 0.37 O ATOM 1475 CB GLU A 98 -2.091 -12.165 6.623 1.00 0.39 C ATOM 1476 CG GLU A 98 -1.186 -12.795 7.668 1.00 0.92 C ATOM 1477 CD GLU A 98 -1.969 -13.403 8.815 1.00 1.64 C ATOM 1478 OE1 GLU A 98 -2.630 -12.651 9.560 1.00 2.35 O ATOM 1479 OE2 GLU A 98 -1.925 -14.640 8.980 1.00 1.97 O ATOM 0 H GLU A 98 -0.291 -10.426 6.758 1.00 0.24 H new ATOM 0 HA GLU A 98 -0.832 -12.476 4.923 1.00 0.29 H new ATOM 0 HB2 GLU A 98 -2.640 -11.343 7.082 1.00 0.39 H new ATOM 0 HB3 GLU A 98 -2.828 -12.902 6.304 1.00 0.39 H new ATOM 0 HG2 GLU A 98 -0.575 -13.566 7.199 1.00 0.92 H new ATOM 0 HG3 GLU A 98 -0.503 -12.040 8.057 1.00 0.92 H new ATOM 1486 N ALA A 99 -2.560 -9.735 4.541 1.00 0.31 N ATOM 1487 CA ALA A 99 -3.410 -8.996 3.633 1.00 0.35 C ATOM 1488 C ALA A 99 -2.736 -8.832 2.275 1.00 0.34 C ATOM 1489 O ALA A 99 -3.361 -9.024 1.230 1.00 0.44 O ATOM 1490 CB ALA A 99 -3.741 -7.642 4.228 1.00 0.39 C ATOM 0 H ALA A 99 -2.143 -9.167 5.279 1.00 0.31 H new ATOM 0 HA ALA A 99 -4.334 -9.555 3.485 1.00 0.35 H new ATOM 0 HB1 ALA A 99 -4.381 -7.089 3.541 1.00 0.39 H new ATOM 0 HB2 ALA A 99 -4.260 -7.779 5.177 1.00 0.39 H new ATOM 0 HB3 ALA A 99 -2.820 -7.083 4.395 1.00 0.39 H new ATOM 1496 N ILE A 100 -1.443 -8.516 2.299 1.00 0.28 N ATOM 1497 CA ILE A 100 -0.674 -8.335 1.085 1.00 0.29 C ATOM 1498 C ILE A 100 -0.570 -9.662 0.354 1.00 0.29 C ATOM 1499 O ILE A 100 -0.688 -9.736 -0.868 1.00 0.34 O ATOM 1500 CB ILE A 100 0.742 -7.854 1.421 1.00 0.32 C ATOM 1501 CG1 ILE A 100 0.691 -6.560 2.235 1.00 0.35 C ATOM 1502 CG2 ILE A 100 1.532 -7.668 0.140 1.00 0.36 C ATOM 1503 CD1 ILE A 100 2.015 -6.198 2.873 1.00 0.41 C ATOM 0 H ILE A 100 -0.909 -8.381 3.157 1.00 0.28 H new ATOM 0 HA ILE A 100 -1.173 -7.593 0.461 1.00 0.29 H new ATOM 0 HB ILE A 100 1.243 -8.606 2.031 1.00 0.32 H new ATOM 0 HG12 ILE A 100 0.374 -5.744 1.586 1.00 0.35 H new ATOM 0 HG13 ILE A 100 -0.064 -6.660 3.015 1.00 0.35 H new ATOM 0 HG21 ILE A 100 2.539 -7.326 0.380 1.00 0.36 H new ATOM 0 HG22 ILE A 100 1.589 -8.617 -0.394 1.00 0.36 H new ATOM 0 HG23 ILE A 100 1.037 -6.927 -0.488 1.00 0.36 H new ATOM 0 HD11 ILE A 100 1.907 -5.270 3.435 1.00 0.41 H new ATOM 0 HD12 ILE A 100 2.324 -6.996 3.548 1.00 0.41 H new ATOM 0 HD13 ILE A 100 2.769 -6.066 2.097 1.00 0.41 H new ATOM 1515 N ASN A 101 -0.347 -10.698 1.142 1.00 0.29 N ATOM 1516 CA ASN A 101 -0.243 -12.055 0.652 1.00 0.34 C ATOM 1517 C ASN A 101 -1.503 -12.460 -0.087 1.00 0.36 C ATOM 1518 O ASN A 101 -1.429 -13.099 -1.127 1.00 0.43 O ATOM 1519 CB ASN A 101 0.027 -13.006 1.822 1.00 0.44 C ATOM 1520 CG ASN A 101 1.480 -13.035 2.219 1.00 0.53 C ATOM 1521 OD1 ASN A 101 2.365 -12.696 1.430 1.00 0.67 O ATOM 1522 ND2 ASN A 101 1.740 -13.469 3.436 1.00 0.64 N ATOM 0 H ASN A 101 -0.232 -10.617 2.152 1.00 0.29 H new ATOM 0 HA ASN A 101 0.588 -12.112 -0.051 1.00 0.34 H new ATOM 0 HB2 ASN A 101 -0.574 -12.702 2.679 1.00 0.44 H new ATOM 0 HB3 ASN A 101 -0.292 -14.012 1.549 1.00 0.44 H new ATOM 0 HD21 ASN A 101 2.705 -13.535 3.759 1.00 0.64 H new ATOM 0 HD22 ASN A 101 0.976 -13.739 4.055 1.00 0.64 H new ATOM 1529 N HIS A 102 -2.652 -12.056 0.438 1.00 0.35 N ATOM 1530 CA HIS A 102 -3.926 -12.337 -0.208 1.00 0.43 C ATOM 1531 C HIS A 102 -4.013 -11.571 -1.527 1.00 0.37 C ATOM 1532 O HIS A 102 -4.470 -12.102 -2.545 1.00 0.41 O ATOM 1533 CB HIS A 102 -5.082 -11.956 0.727 1.00 0.61 C ATOM 1534 CG HIS A 102 -6.395 -12.561 0.335 1.00 1.18 C ATOM 1535 ND1 HIS A 102 -7.227 -13.215 1.218 1.00 2.07 N ATOM 1536 CD2 HIS A 102 -7.015 -12.605 -0.862 1.00 1.10 C ATOM 1537 CE1 HIS A 102 -8.298 -13.645 0.575 1.00 2.50 C ATOM 1538 NE2 HIS A 102 -8.193 -13.286 -0.690 1.00 1.91 N ATOM 0 H HIS A 102 -2.727 -11.532 1.310 1.00 0.35 H new ATOM 0 HA HIS A 102 -4.000 -13.403 -0.422 1.00 0.43 H new ATOM 0 HB2 HIS A 102 -4.836 -12.269 1.742 1.00 0.61 H new ATOM 0 HB3 HIS A 102 -5.182 -10.871 0.744 1.00 0.61 H new ATOM 0 HD2 HIS A 102 -6.651 -12.182 -1.786 1.00 1.10 H new ATOM 0 HE1 HIS A 102 -9.119 -14.196 1.010 1.00 2.50 H new ATOM 0 HE2 HIS A 102 -8.877 -13.483 -1.421 1.00 1.91 H new ATOM 1547 N ALA A 103 -3.541 -10.333 -1.509 1.00 0.37 N ATOM 1548 CA ALA A 103 -3.611 -9.469 -2.678 1.00 0.41 C ATOM 1549 C ALA A 103 -2.659 -9.929 -3.781 1.00 0.40 C ATOM 1550 O ALA A 103 -3.045 -10.002 -4.944 1.00 0.44 O ATOM 1551 CB ALA A 103 -3.305 -8.033 -2.286 1.00 0.47 C ATOM 0 H ALA A 103 -3.104 -9.903 -0.694 1.00 0.37 H new ATOM 0 HA ALA A 103 -4.625 -9.527 -3.072 1.00 0.41 H new ATOM 0 HB1 ALA A 103 -3.360 -7.395 -3.168 1.00 0.47 H new ATOM 0 HB2 ALA A 103 -4.032 -7.695 -1.548 1.00 0.47 H new ATOM 0 HB3 ALA A 103 -2.303 -7.978 -1.860 1.00 0.47 H new ATOM 1557 N LYS A 104 -1.418 -10.244 -3.419 1.00 0.41 N ATOM 1558 CA LYS A 104 -0.415 -10.666 -4.396 1.00 0.49 C ATOM 1559 C LYS A 104 -0.692 -12.069 -4.870 1.00 0.54 C ATOM 1560 O LYS A 104 -0.344 -12.441 -5.991 1.00 0.66 O ATOM 1561 CB LYS A 104 0.969 -10.588 -3.778 1.00 0.61 C ATOM 1562 CG LYS A 104 1.296 -9.190 -3.344 1.00 0.70 C ATOM 1563 CD LYS A 104 1.396 -8.265 -4.548 1.00 0.84 C ATOM 1564 CE LYS A 104 1.488 -6.803 -4.152 1.00 0.99 C ATOM 1565 NZ LYS A 104 1.569 -5.917 -5.346 1.00 1.66 N ATOM 0 H LYS A 104 -1.082 -10.215 -2.456 1.00 0.41 H new ATOM 0 HA LYS A 104 -0.463 -9.998 -5.256 1.00 0.49 H new ATOM 0 HB2 LYS A 104 1.025 -11.259 -2.921 1.00 0.61 H new ATOM 0 HB3 LYS A 104 1.711 -10.930 -4.499 1.00 0.61 H new ATOM 0 HG2 LYS A 104 0.528 -8.826 -2.662 1.00 0.70 H new ATOM 0 HG3 LYS A 104 2.238 -9.185 -2.795 1.00 0.70 H new ATOM 0 HD2 LYS A 104 2.273 -8.534 -5.137 1.00 0.84 H new ATOM 0 HD3 LYS A 104 0.525 -8.411 -5.187 1.00 0.84 H new ATOM 0 HE2 LYS A 104 0.617 -6.531 -3.555 1.00 0.99 H new ATOM 0 HE3 LYS A 104 2.366 -6.650 -3.524 1.00 0.99 H new ATOM 0 HZ1 LYS A 104 2.486 -5.426 -5.352 1.00 1.66 H new ATOM 0 HZ2 LYS A 104 1.477 -6.489 -6.210 1.00 1.66 H new ATOM 0 HZ3 LYS A 104 0.801 -5.216 -5.311 1.00 1.66 H new ATOM 1579 N ALA A 105 -1.302 -12.836 -3.991 1.00 0.51 N ATOM 1580 CA ALA A 105 -1.787 -14.172 -4.351 1.00 0.61 C ATOM 1581 C ALA A 105 -2.649 -14.112 -5.612 1.00 0.62 C ATOM 1582 O ALA A 105 -2.526 -14.955 -6.502 1.00 0.77 O ATOM 1583 CB ALA A 105 -2.581 -14.799 -3.214 1.00 0.65 C ATOM 0 H ALA A 105 -1.478 -12.568 -3.023 1.00 0.51 H new ATOM 0 HA ALA A 105 -0.914 -14.795 -4.545 1.00 0.61 H new ATOM 0 HB1 ALA A 105 -2.926 -15.789 -3.514 1.00 0.65 H new ATOM 0 HB2 ALA A 105 -1.946 -14.888 -2.332 1.00 0.65 H new ATOM 0 HB3 ALA A 105 -3.440 -14.170 -2.981 1.00 0.65 H new ATOM 1589 N ALA A 106 -3.521 -13.112 -5.676 1.00 0.54 N ATOM 1590 CA ALA A 106 -4.351 -12.897 -6.858 1.00 0.64 C ATOM 1591 C ALA A 106 -3.675 -11.944 -7.846 1.00 0.64 C ATOM 1592 O ALA A 106 -4.017 -11.913 -9.029 1.00 0.74 O ATOM 1593 CB ALA A 106 -5.720 -12.361 -6.459 1.00 0.68 C ATOM 0 H ALA A 106 -3.672 -12.438 -4.925 1.00 0.54 H new ATOM 0 HA ALA A 106 -4.481 -13.859 -7.353 1.00 0.64 H new ATOM 0 HB1 ALA A 106 -6.325 -12.207 -7.353 1.00 0.68 H new ATOM 0 HB2 ALA A 106 -6.215 -13.079 -5.805 1.00 0.68 H new ATOM 0 HB3 ALA A 106 -5.601 -11.413 -5.934 1.00 0.68 H new ATOM 1599 N ASN A 107 -2.706 -11.185 -7.330 1.00 0.59 N ATOM 1600 CA ASN A 107 -1.949 -10.195 -8.104 1.00 0.65 C ATOM 1601 C ASN A 107 -2.836 -9.010 -8.466 1.00 0.60 C ATOM 1602 O ASN A 107 -3.165 -8.790 -9.630 1.00 0.85 O ATOM 1603 CB ASN A 107 -1.332 -10.810 -9.356 1.00 0.85 C ATOM 1604 CG ASN A 107 -0.284 -9.928 -9.990 1.00 1.04 C ATOM 1605 OD1 ASN A 107 0.364 -9.125 -9.322 1.00 1.17 O ATOM 1606 ND2 ASN A 107 -0.097 -10.092 -11.283 1.00 1.41 N ATOM 0 H ASN A 107 -2.421 -11.240 -6.352 1.00 0.59 H new ATOM 0 HA ASN A 107 -1.130 -9.840 -7.478 1.00 0.65 H new ATOM 0 HB2 ASN A 107 -0.884 -11.770 -9.100 1.00 0.85 H new ATOM 0 HB3 ASN A 107 -2.120 -11.009 -10.083 1.00 0.85 H new ATOM 0 HD21 ASN A 107 0.609 -9.540 -11.770 1.00 1.41 H new ATOM 0 HD22 ASN A 107 -0.658 -10.771 -11.797 1.00 1.41 H new ATOM 1613 N VAL A 108 -3.221 -8.252 -7.452 1.00 0.44 N ATOM 1614 CA VAL A 108 -4.134 -7.133 -7.629 1.00 0.42 C ATOM 1615 C VAL A 108 -3.462 -5.809 -7.258 1.00 0.37 C ATOM 1616 O VAL A 108 -2.516 -5.780 -6.463 1.00 0.38 O ATOM 1617 CB VAL A 108 -5.411 -7.340 -6.774 1.00 0.49 C ATOM 1618 CG1 VAL A 108 -5.521 -6.299 -5.666 1.00 1.06 C ATOM 1619 CG2 VAL A 108 -6.648 -7.328 -7.654 1.00 1.35 C ATOM 0 H VAL A 108 -2.913 -8.393 -6.490 1.00 0.44 H new ATOM 0 HA VAL A 108 -4.414 -7.090 -8.682 1.00 0.42 H new ATOM 0 HB VAL A 108 -5.336 -8.316 -6.295 1.00 0.49 H new ATOM 0 HG11 VAL A 108 -6.428 -6.477 -5.089 1.00 1.06 H new ATOM 0 HG12 VAL A 108 -4.653 -6.372 -5.010 1.00 1.06 H new ATOM 0 HG13 VAL A 108 -5.560 -5.302 -6.106 1.00 1.06 H new ATOM 0 HG21 VAL A 108 -7.535 -7.475 -7.037 1.00 1.35 H new ATOM 0 HG22 VAL A 108 -6.719 -6.370 -8.169 1.00 1.35 H new ATOM 0 HG23 VAL A 108 -6.580 -8.131 -8.388 1.00 1.35 H new ATOM 1629 N PRO A 109 -3.918 -4.703 -7.875 1.00 0.35 N ATOM 1630 CA PRO A 109 -3.485 -3.353 -7.515 1.00 0.33 C ATOM 1631 C PRO A 109 -3.916 -2.957 -6.107 1.00 0.28 C ATOM 1632 O PRO A 109 -5.031 -3.264 -5.673 1.00 0.29 O ATOM 1633 CB PRO A 109 -4.185 -2.448 -8.528 1.00 0.37 C ATOM 1634 CG PRO A 109 -4.631 -3.352 -9.626 1.00 0.47 C ATOM 1635 CD PRO A 109 -4.869 -4.691 -8.994 1.00 0.40 C ATOM 0 HA PRO A 109 -2.398 -3.279 -7.530 1.00 0.33 H new ATOM 0 HB2 PRO A 109 -5.032 -1.933 -8.075 1.00 0.37 H new ATOM 0 HB3 PRO A 109 -3.508 -1.680 -8.902 1.00 0.37 H new ATOM 0 HG2 PRO A 109 -5.540 -2.976 -10.095 1.00 0.47 H new ATOM 0 HG3 PRO A 109 -3.874 -3.419 -10.407 1.00 0.47 H new ATOM 0 HD2 PRO A 109 -5.898 -4.798 -8.650 1.00 0.40 H new ATOM 0 HD3 PRO A 109 -4.680 -5.506 -9.693 1.00 0.40 H new ATOM 1643 N ILE A 110 -3.051 -2.251 -5.401 1.00 0.25 N ATOM 1644 CA ILE A 110 -3.326 -1.910 -4.020 1.00 0.21 C ATOM 1645 C ILE A 110 -3.572 -0.405 -3.861 1.00 0.19 C ATOM 1646 O ILE A 110 -3.127 0.411 -4.670 1.00 0.23 O ATOM 1647 CB ILE A 110 -2.145 -2.351 -3.121 1.00 0.23 C ATOM 1648 CG1 ILE A 110 -1.902 -3.861 -3.239 1.00 0.38 C ATOM 1649 CG2 ILE A 110 -2.362 -1.964 -1.667 1.00 0.21 C ATOM 1650 CD1 ILE A 110 -2.999 -4.709 -2.637 1.00 0.60 C ATOM 0 H ILE A 110 -2.160 -1.906 -5.759 1.00 0.25 H new ATOM 0 HA ILE A 110 -4.230 -2.436 -3.713 1.00 0.21 H new ATOM 0 HB ILE A 110 -1.259 -1.824 -3.475 1.00 0.23 H new ATOM 0 HG12 ILE A 110 -1.793 -4.120 -4.292 1.00 0.38 H new ATOM 0 HG13 ILE A 110 -0.958 -4.106 -2.751 1.00 0.38 H new ATOM 0 HG21 ILE A 110 -1.510 -2.292 -1.072 1.00 0.21 H new ATOM 0 HG22 ILE A 110 -2.463 -0.881 -1.590 1.00 0.21 H new ATOM 0 HG23 ILE A 110 -3.269 -2.440 -1.295 1.00 0.21 H new ATOM 0 HD11 ILE A 110 -2.753 -5.764 -2.761 1.00 0.60 H new ATOM 0 HD12 ILE A 110 -3.094 -4.481 -1.575 1.00 0.60 H new ATOM 0 HD13 ILE A 110 -3.942 -4.495 -3.140 1.00 0.60 H new ATOM 1662 N ILE A 111 -4.298 -0.079 -2.816 1.00 0.18 N ATOM 1663 CA ILE A 111 -4.489 1.284 -2.362 1.00 0.18 C ATOM 1664 C ILE A 111 -4.081 1.338 -0.903 1.00 0.16 C ATOM 1665 O ILE A 111 -4.875 1.106 0.004 1.00 0.18 O ATOM 1666 CB ILE A 111 -5.952 1.777 -2.536 1.00 0.25 C ATOM 1667 CG1 ILE A 111 -6.208 2.139 -3.996 1.00 0.32 C ATOM 1668 CG2 ILE A 111 -6.245 2.991 -1.654 1.00 0.27 C ATOM 1669 CD1 ILE A 111 -5.538 3.428 -4.410 1.00 0.37 C ATOM 0 H ILE A 111 -4.784 -0.769 -2.243 1.00 0.18 H new ATOM 0 HA ILE A 111 -3.877 1.949 -2.970 1.00 0.18 H new ATOM 0 HB ILE A 111 -6.613 0.966 -2.232 1.00 0.25 H new ATOM 0 HG12 ILE A 111 -5.852 1.330 -4.633 1.00 0.32 H new ATOM 0 HG13 ILE A 111 -7.282 2.225 -4.160 1.00 0.32 H new ATOM 0 HG21 ILE A 111 -7.277 3.308 -1.802 1.00 0.27 H new ATOM 0 HG22 ILE A 111 -6.094 2.726 -0.608 1.00 0.27 H new ATOM 0 HG23 ILE A 111 -5.573 3.806 -1.922 1.00 0.27 H new ATOM 0 HD11 ILE A 111 -5.757 3.632 -5.458 1.00 0.37 H new ATOM 0 HD12 ILE A 111 -5.913 4.247 -3.795 1.00 0.37 H new ATOM 0 HD13 ILE A 111 -4.460 3.337 -4.276 1.00 0.37 H new ATOM 1681 N VAL A 112 -2.811 1.561 -0.682 1.00 0.16 N ATOM 1682 CA VAL A 112 -2.301 1.641 0.658 1.00 0.18 C ATOM 1683 C VAL A 112 -2.711 2.943 1.281 1.00 0.20 C ATOM 1684 O VAL A 112 -2.852 3.958 0.611 1.00 0.22 O ATOM 1685 CB VAL A 112 -0.780 1.525 0.696 1.00 0.19 C ATOM 1686 CG1 VAL A 112 -0.269 1.529 2.106 1.00 0.26 C ATOM 1687 CG2 VAL A 112 -0.342 0.267 0.000 1.00 0.19 C ATOM 0 H VAL A 112 -2.113 1.690 -1.414 1.00 0.16 H new ATOM 0 HA VAL A 112 -2.720 0.805 1.218 1.00 0.18 H new ATOM 0 HB VAL A 112 -0.364 2.390 0.180 1.00 0.19 H new ATOM 0 HG11 VAL A 112 0.818 1.445 2.099 1.00 0.26 H new ATOM 0 HG12 VAL A 112 -0.558 2.459 2.595 1.00 0.26 H new ATOM 0 HG13 VAL A 112 -0.695 0.686 2.650 1.00 0.26 H new ATOM 0 HG21 VAL A 112 0.745 0.193 0.032 1.00 0.19 H new ATOM 0 HG22 VAL A 112 -0.780 -0.597 0.500 1.00 0.19 H new ATOM 0 HG23 VAL A 112 -0.673 0.291 -1.038 1.00 0.19 H new ATOM 1697 N ALA A 113 -2.897 2.890 2.558 1.00 0.21 N ATOM 1698 CA ALA A 113 -3.298 4.047 3.312 1.00 0.24 C ATOM 1699 C ALA A 113 -2.637 4.046 4.671 1.00 0.25 C ATOM 1700 O ALA A 113 -2.974 3.257 5.550 1.00 0.28 O ATOM 1701 CB ALA A 113 -4.805 4.105 3.417 1.00 0.29 C ATOM 0 H ALA A 113 -2.777 2.045 3.116 1.00 0.21 H new ATOM 0 HA ALA A 113 -2.969 4.946 2.791 1.00 0.24 H new ATOM 0 HB1 ALA A 113 -5.096 4.985 3.990 1.00 0.29 H new ATOM 0 HB2 ALA A 113 -5.237 4.163 2.418 1.00 0.29 H new ATOM 0 HB3 ALA A 113 -5.170 3.209 3.919 1.00 0.29 H new ATOM 1707 N ILE A 114 -1.665 4.920 4.805 1.00 0.24 N ATOM 1708 CA ILE A 114 -0.927 5.075 6.028 1.00 0.27 C ATOM 1709 C ILE A 114 -1.734 5.899 7.014 1.00 0.30 C ATOM 1710 O ILE A 114 -2.299 6.908 6.641 1.00 0.50 O ATOM 1711 CB ILE A 114 0.423 5.765 5.741 1.00 0.33 C ATOM 1712 CG1 ILE A 114 1.386 4.808 5.034 1.00 0.38 C ATOM 1713 CG2 ILE A 114 1.040 6.300 7.013 1.00 0.44 C ATOM 1714 CD1 ILE A 114 1.208 4.739 3.530 1.00 0.59 C ATOM 0 H ILE A 114 -1.365 5.547 4.058 1.00 0.24 H new ATOM 0 HA ILE A 114 -0.737 4.092 6.459 1.00 0.27 H new ATOM 0 HB ILE A 114 0.232 6.608 5.077 1.00 0.33 H new ATOM 0 HG12 ILE A 114 2.409 5.114 5.253 1.00 0.38 H new ATOM 0 HG13 ILE A 114 1.256 3.809 5.449 1.00 0.38 H new ATOM 0 HG21 ILE A 114 1.990 6.781 6.782 1.00 0.44 H new ATOM 0 HG22 ILE A 114 0.366 7.027 7.467 1.00 0.44 H new ATOM 0 HG23 ILE A 114 1.209 5.478 7.709 1.00 0.44 H new ATOM 0 HD11 ILE A 114 1.930 4.038 3.110 1.00 0.59 H new ATOM 0 HD12 ILE A 114 0.198 4.402 3.298 1.00 0.59 H new ATOM 0 HD13 ILE A 114 1.368 5.727 3.099 1.00 0.59 H new ATOM 1726 N ASN A 115 -1.790 5.470 8.259 1.00 0.19 N ATOM 1727 CA ASN A 115 -2.515 6.198 9.296 1.00 0.22 C ATOM 1728 C ASN A 115 -1.501 6.703 10.277 1.00 0.20 C ATOM 1729 O ASN A 115 -0.300 6.453 10.113 1.00 0.22 O ATOM 1730 CB ASN A 115 -3.566 5.291 9.966 1.00 0.33 C ATOM 1731 CG ASN A 115 -3.060 4.519 11.167 1.00 0.84 C ATOM 1732 OD1 ASN A 115 -1.913 4.134 11.239 1.00 1.85 O ATOM 1733 ND2 ASN A 115 -3.931 4.291 12.124 1.00 0.56 N ATOM 0 H ASN A 115 -1.340 4.614 8.585 1.00 0.19 H new ATOM 0 HA ASN A 115 -3.065 7.038 8.872 1.00 0.22 H new ATOM 0 HB2 ASN A 115 -4.412 5.905 10.275 1.00 0.33 H new ATOM 0 HB3 ASN A 115 -3.940 4.583 9.227 1.00 0.33 H new ATOM 0 HD21 ASN A 115 -3.649 3.776 12.958 1.00 0.56 H new ATOM 0 HD22 ASN A 115 -4.889 4.629 12.033 1.00 0.56 H new ATOM 1740 N LYS A 116 -1.963 7.435 11.265 1.00 0.19 N ATOM 1741 CA LYS A 116 -1.096 7.904 12.309 1.00 0.20 C ATOM 1742 C LYS A 116 -0.143 8.977 11.810 1.00 0.21 C ATOM 1743 O LYS A 116 0.989 9.076 12.278 1.00 0.26 O ATOM 1744 CB LYS A 116 -0.345 6.725 12.923 1.00 0.25 C ATOM 1745 CG LYS A 116 -1.215 5.880 13.830 1.00 0.32 C ATOM 1746 CD LYS A 116 -0.382 4.891 14.622 1.00 0.40 C ATOM 1747 CE LYS A 116 -1.223 3.836 15.321 1.00 0.51 C ATOM 1748 NZ LYS A 116 -0.370 2.880 16.085 1.00 0.59 N ATOM 0 H LYS A 116 -2.938 7.717 11.363 1.00 0.19 H new ATOM 0 HA LYS A 116 -1.706 8.369 13.083 1.00 0.20 H new ATOM 0 HB2 LYS A 116 0.054 6.099 12.125 1.00 0.25 H new ATOM 0 HB3 LYS A 116 0.507 7.099 13.491 1.00 0.25 H new ATOM 0 HG2 LYS A 116 -1.766 6.525 14.514 1.00 0.32 H new ATOM 0 HG3 LYS A 116 -1.953 5.343 13.234 1.00 0.32 H new ATOM 0 HD2 LYS A 116 0.324 4.400 13.952 1.00 0.40 H new ATOM 0 HD3 LYS A 116 0.205 5.431 15.365 1.00 0.40 H new ATOM 0 HE2 LYS A 116 -1.927 4.319 15.998 1.00 0.51 H new ATOM 0 HE3 LYS A 116 -1.813 3.291 14.584 1.00 0.51 H new ATOM 0 HZ1 LYS A 116 -0.735 1.914 15.961 1.00 0.59 H new ATOM 0 HZ2 LYS A 116 0.607 2.929 15.733 1.00 0.59 H new ATOM 0 HZ3 LYS A 116 -0.387 3.130 17.094 1.00 0.59 H new ATOM 1762 N MET A 117 -0.610 9.783 10.857 1.00 0.21 N ATOM 1763 CA MET A 117 0.084 11.018 10.511 1.00 0.28 C ATOM 1764 C MET A 117 -0.174 12.007 11.630 1.00 0.29 C ATOM 1765 O MET A 117 0.539 12.995 11.808 1.00 0.37 O ATOM 1766 CB MET A 117 -0.415 11.575 9.179 1.00 0.38 C ATOM 1767 CG MET A 117 0.091 10.813 7.963 1.00 0.48 C ATOM 1768 SD MET A 117 1.831 11.098 7.629 1.00 0.77 S ATOM 1769 CE MET A 117 2.442 9.456 7.942 1.00 0.92 C ATOM 0 H MET A 117 -1.457 9.604 10.317 1.00 0.21 H new ATOM 0 HA MET A 117 1.152 10.831 10.397 1.00 0.28 H new ATOM 0 HB2 MET A 117 -1.505 11.561 9.176 1.00 0.38 H new ATOM 0 HB3 MET A 117 -0.109 12.618 9.095 1.00 0.38 H new ATOM 0 HG2 MET A 117 -0.074 9.746 8.115 1.00 0.48 H new ATOM 0 HG3 MET A 117 -0.493 11.104 7.090 1.00 0.48 H new ATOM 0 HE1 MET A 117 3.529 9.480 8.012 1.00 0.92 H new ATOM 0 HE2 MET A 117 2.026 9.085 8.879 1.00 0.92 H new ATOM 0 HE3 MET A 117 2.145 8.796 7.127 1.00 0.92 H new ATOM 1779 N ASP A 118 -1.221 11.692 12.379 1.00 0.27 N ATOM 1780 CA ASP A 118 -1.571 12.397 13.604 1.00 0.34 C ATOM 1781 C ASP A 118 -0.461 12.256 14.636 1.00 0.33 C ATOM 1782 O ASP A 118 -0.173 13.187 15.385 1.00 0.47 O ATOM 1783 CB ASP A 118 -2.877 11.826 14.166 1.00 0.39 C ATOM 1784 CG ASP A 118 -3.005 10.337 13.923 1.00 0.55 C ATOM 1785 OD1 ASP A 118 -2.374 9.557 14.654 1.00 0.76 O ATOM 1786 OD2 ASP A 118 -3.722 9.942 12.969 1.00 0.67 O ATOM 0 H ASP A 118 -1.859 10.930 12.150 1.00 0.27 H new ATOM 0 HA ASP A 118 -1.702 13.455 13.377 1.00 0.34 H new ATOM 0 HB2 ASP A 118 -2.926 12.023 15.237 1.00 0.39 H new ATOM 0 HB3 ASP A 118 -3.722 12.340 13.709 1.00 0.39 H new ATOM 1791 N LYS A 119 0.162 11.087 14.661 1.00 0.23 N ATOM 1792 CA LYS A 119 1.253 10.819 15.578 1.00 0.26 C ATOM 1793 C LYS A 119 2.543 11.433 15.057 1.00 0.28 C ATOM 1794 O LYS A 119 2.804 11.429 13.859 1.00 0.26 O ATOM 1795 CB LYS A 119 1.445 9.311 15.757 1.00 0.29 C ATOM 1796 CG LYS A 119 0.317 8.626 16.509 1.00 0.36 C ATOM 1797 CD LYS A 119 0.727 7.237 16.976 1.00 0.72 C ATOM 1798 CE LYS A 119 1.921 7.298 17.920 1.00 0.87 C ATOM 1799 NZ LYS A 119 2.374 5.952 18.355 1.00 1.17 N ATOM 0 H LYS A 119 -0.074 10.305 14.050 1.00 0.23 H new ATOM 0 HA LYS A 119 1.004 11.264 16.541 1.00 0.26 H new ATOM 0 HB2 LYS A 119 1.545 8.849 14.775 1.00 0.29 H new ATOM 0 HB3 LYS A 119 2.380 9.135 16.288 1.00 0.29 H new ATOM 0 HG2 LYS A 119 0.030 9.231 17.369 1.00 0.36 H new ATOM 0 HG3 LYS A 119 -0.559 8.552 15.865 1.00 0.36 H new ATOM 0 HD2 LYS A 119 -0.113 6.758 17.480 1.00 0.72 H new ATOM 0 HD3 LYS A 119 0.975 6.620 16.113 1.00 0.72 H new ATOM 0 HE2 LYS A 119 2.745 7.812 17.425 1.00 0.87 H new ATOM 0 HE3 LYS A 119 1.657 7.889 18.797 1.00 0.87 H new ATOM 0 HZ1 LYS A 119 3.353 6.010 18.700 1.00 1.17 H new ATOM 0 HZ2 LYS A 119 1.757 5.608 19.119 1.00 1.17 H new ATOM 0 HZ3 LYS A 119 2.329 5.294 17.551 1.00 1.17 H new ATOM 1813 N PRO A 120 3.367 11.980 15.963 1.00 0.38 N ATOM 1814 CA PRO A 120 4.687 12.519 15.614 1.00 0.45 C ATOM 1815 C PRO A 120 5.637 11.427 15.127 1.00 0.40 C ATOM 1816 O PRO A 120 6.667 11.704 14.520 1.00 0.45 O ATOM 1817 CB PRO A 120 5.197 13.116 16.929 1.00 0.57 C ATOM 1818 CG PRO A 120 4.397 12.459 17.999 1.00 0.58 C ATOM 1819 CD PRO A 120 3.061 12.142 17.393 1.00 0.48 C ATOM 0 HA PRO A 120 4.629 13.243 14.801 1.00 0.45 H new ATOM 0 HB2 PRO A 120 6.262 12.924 17.061 1.00 0.57 H new ATOM 0 HB3 PRO A 120 5.064 14.198 16.947 1.00 0.57 H new ATOM 0 HG2 PRO A 120 4.889 11.552 18.351 1.00 0.58 H new ATOM 0 HG3 PRO A 120 4.286 13.117 18.861 1.00 0.58 H new ATOM 0 HD2 PRO A 120 2.632 11.234 17.818 1.00 0.48 H new ATOM 0 HD3 PRO A 120 2.342 12.944 17.562 1.00 0.48 H new ATOM 1827 N GLU A 121 5.267 10.181 15.401 1.00 0.35 N ATOM 1828 CA GLU A 121 6.044 9.026 14.967 1.00 0.37 C ATOM 1829 C GLU A 121 5.674 8.634 13.540 1.00 0.30 C ATOM 1830 O GLU A 121 6.039 7.561 13.063 1.00 0.37 O ATOM 1831 CB GLU A 121 5.802 7.852 15.916 1.00 0.48 C ATOM 1832 CG GLU A 121 6.086 8.192 17.366 1.00 0.62 C ATOM 1833 CD GLU A 121 5.936 7.004 18.291 1.00 1.04 C ATOM 1834 OE1 GLU A 121 6.894 6.211 18.403 1.00 1.40 O ATOM 1835 OE2 GLU A 121 4.856 6.859 18.903 1.00 1.45 O ATOM 0 H GLU A 121 4.426 9.944 15.927 1.00 0.35 H new ATOM 0 HA GLU A 121 7.101 9.290 14.986 1.00 0.37 H new ATOM 0 HB2 GLU A 121 4.767 7.524 15.822 1.00 0.48 H new ATOM 0 HB3 GLU A 121 6.431 7.014 15.616 1.00 0.48 H new ATOM 0 HG2 GLU A 121 7.099 8.585 17.450 1.00 0.62 H new ATOM 0 HG3 GLU A 121 5.409 8.984 17.687 1.00 0.62 H new ATOM 1842 N ALA A 122 4.925 9.510 12.882 1.00 0.24 N ATOM 1843 CA ALA A 122 4.540 9.326 11.489 1.00 0.22 C ATOM 1844 C ALA A 122 5.761 9.271 10.585 1.00 0.21 C ATOM 1845 O ALA A 122 6.346 10.300 10.242 1.00 0.26 O ATOM 1846 CB ALA A 122 3.614 10.451 11.058 1.00 0.27 C ATOM 0 H ALA A 122 4.567 10.369 13.300 1.00 0.24 H new ATOM 0 HA ALA A 122 4.015 8.375 11.400 1.00 0.22 H new ATOM 0 HB1 ALA A 122 3.329 10.309 10.016 1.00 0.27 H new ATOM 0 HB2 ALA A 122 2.720 10.446 11.682 1.00 0.27 H new ATOM 0 HB3 ALA A 122 4.127 11.406 11.167 1.00 0.27 H new ATOM 1852 N ASN A 123 6.142 8.063 10.202 1.00 0.21 N ATOM 1853 CA ASN A 123 7.239 7.865 9.273 1.00 0.23 C ATOM 1854 C ASN A 123 6.716 7.129 8.054 1.00 0.23 C ATOM 1855 O ASN A 123 6.936 5.930 7.882 1.00 0.25 O ATOM 1856 CB ASN A 123 8.376 7.078 9.917 1.00 0.26 C ATOM 1857 CG ASN A 123 9.684 7.796 9.852 1.00 0.42 C ATOM 1858 OD1 ASN A 123 10.449 7.506 8.837 1.00 0.95 O flip ATOM 1859 ND2 ASN A 123 10.014 8.606 10.720 1.00 0.52 N flip ATOM 0 H ASN A 123 5.703 7.200 10.524 1.00 0.21 H new ATOM 0 HA ASN A 123 7.638 8.837 8.982 1.00 0.23 H new ATOM 0 HB2 ASN A 123 8.128 6.877 10.959 1.00 0.26 H new ATOM 0 HB3 ASN A 123 8.471 6.113 9.420 1.00 0.26 H new ATOM 0 HD21 ASN A 123 9.385 8.804 11.498 1.00 0.52 H new ATOM 0 HD22 ASN A 123 10.916 9.078 10.660 1.00 0.52 H new ATOM 1866 N PRO A 124 6.023 7.859 7.184 1.00 0.25 N ATOM 1867 CA PRO A 124 5.269 7.281 6.068 1.00 0.32 C ATOM 1868 C PRO A 124 6.144 6.665 5.006 1.00 0.33 C ATOM 1869 O PRO A 124 5.991 5.498 4.660 1.00 0.35 O ATOM 1870 CB PRO A 124 4.527 8.476 5.507 1.00 0.40 C ATOM 1871 CG PRO A 124 5.348 9.658 5.879 1.00 0.32 C ATOM 1872 CD PRO A 124 5.915 9.329 7.225 1.00 0.27 C ATOM 0 HA PRO A 124 4.630 6.462 6.399 1.00 0.32 H new ATOM 0 HB2 PRO A 124 4.417 8.398 4.425 1.00 0.40 H new ATOM 0 HB3 PRO A 124 3.523 8.547 5.925 1.00 0.40 H new ATOM 0 HG2 PRO A 124 6.139 9.834 5.150 1.00 0.32 H new ATOM 0 HG3 PRO A 124 4.742 10.563 5.917 1.00 0.32 H new ATOM 0 HD2 PRO A 124 6.885 9.802 7.382 1.00 0.27 H new ATOM 0 HD3 PRO A 124 5.263 9.664 8.031 1.00 0.27 H new ATOM 1880 N ASP A 125 7.047 7.465 4.485 1.00 0.37 N ATOM 1881 CA ASP A 125 8.006 7.007 3.495 1.00 0.44 C ATOM 1882 C ASP A 125 8.792 5.817 4.019 1.00 0.34 C ATOM 1883 O ASP A 125 9.268 4.989 3.248 1.00 0.33 O ATOM 1884 CB ASP A 125 8.948 8.140 3.116 1.00 0.61 C ATOM 1885 CG ASP A 125 8.230 9.257 2.385 1.00 0.99 C ATOM 1886 OD1 ASP A 125 7.403 9.952 3.011 1.00 1.44 O ATOM 1887 OD2 ASP A 125 8.489 9.447 1.175 1.00 1.13 O ATOM 0 H ASP A 125 7.140 8.450 4.732 1.00 0.37 H new ATOM 0 HA ASP A 125 7.461 6.690 2.606 1.00 0.44 H new ATOM 0 HB2 ASP A 125 9.416 8.538 4.016 1.00 0.61 H new ATOM 0 HB3 ASP A 125 9.748 7.751 2.486 1.00 0.61 H new ATOM 1892 N ARG A 126 8.882 5.708 5.336 1.00 0.31 N ATOM 1893 CA ARG A 126 9.587 4.583 5.942 1.00 0.31 C ATOM 1894 C ARG A 126 8.742 3.334 5.816 1.00 0.27 C ATOM 1895 O ARG A 126 9.158 2.339 5.228 1.00 0.30 O ATOM 1896 CB ARG A 126 9.894 4.859 7.415 1.00 0.35 C ATOM 1897 CG ARG A 126 10.288 3.623 8.223 1.00 0.51 C ATOM 1898 CD ARG A 126 11.534 2.941 7.674 1.00 1.24 C ATOM 1899 NE ARG A 126 12.727 3.776 7.803 1.00 1.92 N ATOM 1900 CZ ARG A 126 13.761 3.724 6.967 1.00 2.94 C ATOM 1901 NH1 ARG A 126 13.751 2.875 5.946 1.00 3.49 N ATOM 1902 NH2 ARG A 126 14.809 4.512 7.164 1.00 3.79 N ATOM 0 H ARG A 126 8.483 6.373 5.999 1.00 0.31 H new ATOM 0 HA ARG A 126 10.533 4.441 5.419 1.00 0.31 H new ATOM 0 HB2 ARG A 126 10.702 5.589 7.474 1.00 0.35 H new ATOM 0 HB3 ARG A 126 9.018 5.315 7.876 1.00 0.35 H new ATOM 0 HG2 ARG A 126 10.462 3.911 9.260 1.00 0.51 H new ATOM 0 HG3 ARG A 126 9.460 2.914 8.224 1.00 0.51 H new ATOM 0 HD2 ARG A 126 11.693 2.001 8.202 1.00 1.24 H new ATOM 0 HD3 ARG A 126 11.378 2.695 6.624 1.00 1.24 H new ATOM 0 HE ARG A 126 12.769 4.437 8.579 1.00 1.92 H new ATOM 0 HH11 ARG A 126 12.950 2.261 5.801 1.00 3.49 H new ATOM 0 HH12 ARG A 126 14.545 2.837 5.307 1.00 3.49 H new ATOM 0 HH21 ARG A 126 14.821 5.156 7.955 1.00 3.79 H new ATOM 0 HH22 ARG A 126 15.603 4.474 6.525 1.00 3.79 H new ATOM 1916 N VAL A 127 7.543 3.417 6.353 1.00 0.25 N ATOM 1917 CA VAL A 127 6.637 2.285 6.358 1.00 0.28 C ATOM 1918 C VAL A 127 6.225 1.884 4.939 1.00 0.28 C ATOM 1919 O VAL A 127 6.052 0.701 4.661 1.00 0.33 O ATOM 1920 CB VAL A 127 5.407 2.550 7.259 1.00 0.36 C ATOM 1921 CG1 VAL A 127 5.877 2.847 8.669 1.00 0.59 C ATOM 1922 CG2 VAL A 127 4.527 3.685 6.746 1.00 0.44 C ATOM 0 H VAL A 127 7.171 4.259 6.793 1.00 0.25 H new ATOM 0 HA VAL A 127 7.175 1.439 6.785 1.00 0.28 H new ATOM 0 HB VAL A 127 4.790 1.651 7.245 1.00 0.36 H new ATOM 0 HG11 VAL A 127 5.014 3.035 9.308 1.00 0.59 H new ATOM 0 HG12 VAL A 127 6.435 1.993 9.054 1.00 0.59 H new ATOM 0 HG13 VAL A 127 6.520 3.727 8.660 1.00 0.59 H new ATOM 0 HG21 VAL A 127 3.681 3.823 7.420 1.00 0.44 H new ATOM 0 HG22 VAL A 127 5.109 4.605 6.702 1.00 0.44 H new ATOM 0 HG23 VAL A 127 4.160 3.439 5.749 1.00 0.44 H new ATOM 1932 N MET A 128 6.130 2.858 4.029 1.00 0.27 N ATOM 1933 CA MET A 128 5.769 2.572 2.635 1.00 0.31 C ATOM 1934 C MET A 128 6.962 1.972 1.887 1.00 0.26 C ATOM 1935 O MET A 128 6.807 1.390 0.814 1.00 0.35 O ATOM 1936 CB MET A 128 5.249 3.838 1.919 1.00 0.52 C ATOM 1937 CG MET A 128 6.336 4.785 1.431 1.00 0.81 C ATOM 1938 SD MET A 128 5.713 6.418 0.947 1.00 0.67 S ATOM 1939 CE MET A 128 4.621 6.043 -0.434 1.00 0.46 C ATOM 0 H MET A 128 6.296 3.844 4.229 1.00 0.27 H new ATOM 0 HA MET A 128 4.960 1.841 2.638 1.00 0.31 H new ATOM 0 HB2 MET A 128 4.642 3.533 1.066 1.00 0.52 H new ATOM 0 HB3 MET A 128 4.593 4.380 2.600 1.00 0.52 H new ATOM 0 HG2 MET A 128 7.080 4.908 2.219 1.00 0.81 H new ATOM 0 HG3 MET A 128 6.845 4.333 0.580 1.00 0.81 H new ATOM 0 HE1 MET A 128 3.881 6.836 -0.539 1.00 0.46 H new ATOM 0 HE2 MET A 128 5.206 5.969 -1.351 1.00 0.46 H new ATOM 0 HE3 MET A 128 4.114 5.096 -0.250 1.00 0.46 H new ATOM 1949 N GLN A 129 8.157 2.103 2.456 1.00 0.24 N ATOM 1950 CA GLN A 129 9.327 1.417 1.922 1.00 0.27 C ATOM 1951 C GLN A 129 9.312 -0.044 2.345 1.00 0.30 C ATOM 1952 O GLN A 129 9.728 -0.920 1.597 1.00 0.33 O ATOM 1953 CB GLN A 129 10.620 2.094 2.367 1.00 0.32 C ATOM 1954 CG GLN A 129 11.095 3.172 1.411 1.00 0.42 C ATOM 1955 CD GLN A 129 12.133 4.086 2.027 1.00 0.54 C ATOM 1956 OE1 GLN A 129 12.912 3.676 2.888 1.00 1.17 O ATOM 1957 NE2 GLN A 129 12.153 5.335 1.593 1.00 1.31 N ATOM 0 H GLN A 129 8.339 2.674 3.281 1.00 0.24 H new ATOM 0 HA GLN A 129 9.286 1.471 0.834 1.00 0.27 H new ATOM 0 HB2 GLN A 129 10.471 2.533 3.353 1.00 0.32 H new ATOM 0 HB3 GLN A 129 11.400 1.340 2.469 1.00 0.32 H new ATOM 0 HG2 GLN A 129 11.513 2.703 0.520 1.00 0.42 H new ATOM 0 HG3 GLN A 129 10.241 3.766 1.087 1.00 0.42 H new ATOM 0 HE21 GLN A 129 11.491 5.637 0.878 1.00 1.31 H new ATOM 0 HE22 GLN A 129 12.830 5.996 1.973 1.00 1.31 H new ATOM 1966 N GLU A 130 8.801 -0.306 3.542 1.00 0.37 N ATOM 1967 CA GLU A 130 8.615 -1.677 4.000 1.00 0.43 C ATOM 1968 C GLU A 130 7.513 -2.322 3.184 1.00 0.36 C ATOM 1969 O GLU A 130 7.484 -3.540 2.984 1.00 0.35 O ATOM 1970 CB GLU A 130 8.250 -1.711 5.477 1.00 0.61 C ATOM 1971 CG GLU A 130 8.980 -0.671 6.290 1.00 0.63 C ATOM 1972 CD GLU A 130 8.755 -0.834 7.772 1.00 1.04 C ATOM 1973 OE1 GLU A 130 9.445 -1.672 8.388 1.00 1.64 O ATOM 1974 OE2 GLU A 130 7.878 -0.150 8.330 1.00 1.63 O ATOM 0 H GLU A 130 8.510 0.408 4.209 1.00 0.37 H new ATOM 0 HA GLU A 130 9.548 -2.225 3.869 1.00 0.43 H new ATOM 0 HB2 GLU A 130 7.176 -1.559 5.583 1.00 0.61 H new ATOM 0 HB3 GLU A 130 8.473 -2.700 5.878 1.00 0.61 H new ATOM 0 HG2 GLU A 130 10.048 -0.733 6.079 1.00 0.63 H new ATOM 0 HG3 GLU A 130 8.652 0.322 5.983 1.00 0.63 H new ATOM 1981 N LEU A 131 6.619 -1.474 2.703 1.00 0.36 N ATOM 1982 CA LEU A 131 5.572 -1.901 1.805 1.00 0.37 C ATOM 1983 C LEU A 131 6.195 -2.504 0.561 1.00 0.29 C ATOM 1984 O LEU A 131 5.815 -3.591 0.133 1.00 0.32 O ATOM 1985 CB LEU A 131 4.651 -0.731 1.413 1.00 0.49 C ATOM 1986 CG LEU A 131 3.350 -0.581 2.220 1.00 0.71 C ATOM 1987 CD1 LEU A 131 2.960 -1.889 2.844 1.00 1.36 C ATOM 1988 CD2 LEU A 131 3.465 0.485 3.289 1.00 1.18 C ATOM 0 H LEU A 131 6.602 -0.479 2.925 1.00 0.36 H new ATOM 0 HA LEU A 131 4.963 -2.646 2.318 1.00 0.37 H new ATOM 0 HB2 LEU A 131 5.218 0.195 1.505 1.00 0.49 H new ATOM 0 HB3 LEU A 131 4.389 -0.841 0.361 1.00 0.49 H new ATOM 0 HG LEU A 131 2.574 -0.270 1.520 1.00 0.71 H new ATOM 0 HD11 LEU A 131 2.037 -1.761 3.410 1.00 1.36 H new ATOM 0 HD12 LEU A 131 2.806 -2.633 2.063 1.00 1.36 H new ATOM 0 HD13 LEU A 131 3.753 -2.224 3.513 1.00 1.36 H new ATOM 0 HD21 LEU A 131 2.524 0.557 3.834 1.00 1.18 H new ATOM 0 HD22 LEU A 131 4.266 0.222 3.980 1.00 1.18 H new ATOM 0 HD23 LEU A 131 3.689 1.445 2.823 1.00 1.18 H new ATOM 2000 N MET A 132 7.192 -1.821 0.004 1.00 0.25 N ATOM 2001 CA MET A 132 7.808 -2.290 -1.226 1.00 0.26 C ATOM 2002 C MET A 132 8.719 -3.478 -0.964 1.00 0.30 C ATOM 2003 O MET A 132 9.113 -4.179 -1.896 1.00 0.37 O ATOM 2004 CB MET A 132 8.584 -1.189 -1.951 1.00 0.32 C ATOM 2005 CG MET A 132 9.946 -0.880 -1.348 1.00 0.88 C ATOM 2006 SD MET A 132 10.835 0.411 -2.242 1.00 1.60 S ATOM 2007 CE MET A 132 10.762 -0.216 -3.918 1.00 1.61 C ATOM 0 H MET A 132 7.582 -0.957 0.379 1.00 0.25 H new ATOM 0 HA MET A 132 6.992 -2.602 -1.877 1.00 0.26 H new ATOM 0 HB2 MET A 132 8.719 -1.482 -2.992 1.00 0.32 H new ATOM 0 HB3 MET A 132 7.985 -0.278 -1.951 1.00 0.32 H new ATOM 0 HG2 MET A 132 9.817 -0.573 -0.310 1.00 0.88 H new ATOM 0 HG3 MET A 132 10.548 -1.789 -1.339 1.00 0.88 H new ATOM 0 HE1 MET A 132 11.530 0.268 -4.521 1.00 1.61 H new ATOM 0 HE2 MET A 132 10.931 -1.293 -3.911 1.00 1.61 H new ATOM 0 HE3 MET A 132 9.781 -0.005 -4.343 1.00 1.61 H new ATOM 2017 N GLU A 133 9.036 -3.717 0.302 1.00 0.32 N ATOM 2018 CA GLU A 133 9.821 -4.878 0.674 1.00 0.40 C ATOM 2019 C GLU A 133 8.958 -6.108 0.481 1.00 0.38 C ATOM 2020 O GLU A 133 9.443 -7.204 0.199 1.00 0.45 O ATOM 2021 CB GLU A 133 10.266 -4.776 2.128 1.00 0.54 C ATOM 2022 CG GLU A 133 11.140 -3.571 2.418 1.00 0.79 C ATOM 2023 CD GLU A 133 12.488 -3.643 1.735 1.00 1.07 C ATOM 2024 OE1 GLU A 133 13.259 -4.581 2.030 1.00 1.53 O ATOM 2025 OE2 GLU A 133 12.780 -2.768 0.893 1.00 1.67 O ATOM 0 H GLU A 133 8.761 -3.122 1.084 1.00 0.32 H new ATOM 0 HA GLU A 133 10.714 -4.939 0.052 1.00 0.40 H new ATOM 0 HB2 GLU A 133 9.383 -4.735 2.766 1.00 0.54 H new ATOM 0 HB3 GLU A 133 10.811 -5.681 2.396 1.00 0.54 H new ATOM 0 HG2 GLU A 133 10.623 -2.667 2.095 1.00 0.79 H new ATOM 0 HG3 GLU A 133 11.288 -3.487 3.495 1.00 0.79 H new ATOM 2032 N TYR A 134 7.660 -5.897 0.635 1.00 0.35 N ATOM 2033 CA TYR A 134 6.672 -6.925 0.398 1.00 0.40 C ATOM 2034 C TYR A 134 6.074 -6.728 -0.993 1.00 0.41 C ATOM 2035 O TYR A 134 4.961 -7.163 -1.293 1.00 0.50 O ATOM 2036 CB TYR A 134 5.619 -6.881 1.498 1.00 0.46 C ATOM 2037 CG TYR A 134 6.151 -7.329 2.853 1.00 0.55 C ATOM 2038 CD1 TYR A 134 7.408 -6.931 3.286 1.00 0.88 C ATOM 2039 CD2 TYR A 134 5.411 -8.150 3.689 1.00 0.98 C ATOM 2040 CE1 TYR A 134 7.914 -7.335 4.501 1.00 0.95 C ATOM 2041 CE2 TYR A 134 5.909 -8.557 4.914 1.00 1.08 C ATOM 2042 CZ TYR A 134 7.161 -8.149 5.313 1.00 0.80 C ATOM 2043 OH TYR A 134 7.657 -8.559 6.529 1.00 0.95 O ATOM 0 H TYR A 134 7.266 -5.003 0.929 1.00 0.35 H new ATOM 0 HA TYR A 134 7.127 -7.915 0.426 1.00 0.40 H new ATOM 0 HB2 TYR A 134 5.234 -5.865 1.584 1.00 0.46 H new ATOM 0 HB3 TYR A 134 4.780 -7.517 1.215 1.00 0.46 H new ATOM 0 HD1 TYR A 134 8.004 -6.289 2.654 1.00 0.88 H new ATOM 0 HD2 TYR A 134 4.430 -8.477 3.379 1.00 0.98 H new ATOM 0 HE1 TYR A 134 8.897 -7.014 4.814 1.00 0.95 H new ATOM 0 HE2 TYR A 134 5.317 -9.193 5.555 1.00 1.08 H new ATOM 0 HH TYR A 134 6.997 -9.128 6.976 1.00 0.95 H new ATOM 2053 N ASN A 135 6.867 -6.047 -1.825 1.00 0.36 N ATOM 2054 CA ASN A 135 6.564 -5.763 -3.225 1.00 0.43 C ATOM 2055 C ASN A 135 5.289 -4.942 -3.385 1.00 0.48 C ATOM 2056 O ASN A 135 4.396 -5.269 -4.170 1.00 0.64 O ATOM 2057 CB ASN A 135 6.497 -7.059 -4.035 1.00 0.58 C ATOM 2058 CG ASN A 135 6.437 -6.820 -5.521 1.00 0.71 C ATOM 2059 OD1 ASN A 135 6.894 -5.792 -6.022 1.00 0.89 O ATOM 2060 ND2 ASN A 135 5.894 -7.776 -6.239 1.00 1.10 N ATOM 0 H ASN A 135 7.766 -5.667 -1.530 1.00 0.36 H new ATOM 0 HA ASN A 135 7.378 -5.154 -3.618 1.00 0.43 H new ATOM 0 HB2 ASN A 135 7.370 -7.670 -3.806 1.00 0.58 H new ATOM 0 HB3 ASN A 135 5.620 -7.628 -3.728 1.00 0.58 H new ATOM 0 HD21 ASN A 135 5.839 -7.683 -7.253 1.00 1.10 H new ATOM 0 HD22 ASN A 135 5.528 -8.611 -5.782 1.00 1.10 H new ATOM 2067 N LEU A 136 5.209 -3.872 -2.623 1.00 0.44 N ATOM 2068 CA LEU A 136 4.166 -2.891 -2.778 1.00 0.54 C ATOM 2069 C LEU A 136 4.775 -1.562 -3.144 1.00 0.41 C ATOM 2070 O LEU A 136 5.261 -0.829 -2.285 1.00 0.47 O ATOM 2071 CB LEU A 136 3.384 -2.776 -1.497 1.00 0.78 C ATOM 2072 CG LEU A 136 2.552 -3.997 -1.155 1.00 0.64 C ATOM 2073 CD1 LEU A 136 2.154 -3.955 0.303 1.00 1.36 C ATOM 2074 CD2 LEU A 136 1.337 -4.051 -2.058 1.00 1.17 C ATOM 0 H LEU A 136 5.871 -3.661 -1.876 1.00 0.44 H new ATOM 0 HA LEU A 136 3.489 -3.199 -3.574 1.00 0.54 H new ATOM 0 HB2 LEU A 136 4.078 -2.584 -0.679 1.00 0.78 H new ATOM 0 HB3 LEU A 136 2.725 -1.911 -1.565 1.00 0.78 H new ATOM 0 HG LEU A 136 3.138 -4.902 -1.317 1.00 0.64 H new ATOM 0 HD11 LEU A 136 1.557 -4.835 0.543 1.00 1.36 H new ATOM 0 HD12 LEU A 136 3.049 -3.944 0.924 1.00 1.36 H new ATOM 0 HD13 LEU A 136 1.569 -3.056 0.495 1.00 1.36 H new ATOM 0 HD21 LEU A 136 0.739 -4.929 -1.812 1.00 1.17 H new ATOM 0 HD22 LEU A 136 0.737 -3.152 -1.915 1.00 1.17 H new ATOM 0 HD23 LEU A 136 1.659 -4.111 -3.098 1.00 1.17 H new ATOM 2086 N VAL A 137 4.759 -1.252 -4.420 1.00 0.31 N ATOM 2087 CA VAL A 137 5.455 -0.073 -4.889 1.00 0.27 C ATOM 2088 C VAL A 137 4.492 1.049 -5.208 1.00 0.29 C ATOM 2089 O VAL A 137 3.662 0.944 -6.113 1.00 0.33 O ATOM 2090 CB VAL A 137 6.324 -0.353 -6.117 1.00 0.29 C ATOM 2091 CG1 VAL A 137 7.147 0.885 -6.455 1.00 0.43 C ATOM 2092 CG2 VAL A 137 7.212 -1.563 -5.878 1.00 0.41 C ATOM 0 H VAL A 137 4.280 -1.789 -5.143 1.00 0.31 H new ATOM 0 HA VAL A 137 6.108 0.231 -4.071 1.00 0.27 H new ATOM 0 HB VAL A 137 5.683 -0.582 -6.968 1.00 0.29 H new ATOM 0 HG11 VAL A 137 7.765 0.683 -7.330 1.00 0.43 H new ATOM 0 HG12 VAL A 137 6.479 1.719 -6.668 1.00 0.43 H new ATOM 0 HG13 VAL A 137 7.787 1.139 -5.610 1.00 0.43 H new ATOM 0 HG21 VAL A 137 7.823 -1.747 -6.762 1.00 0.41 H new ATOM 0 HG22 VAL A 137 7.860 -1.375 -5.022 1.00 0.41 H new ATOM 0 HG23 VAL A 137 6.591 -2.436 -5.678 1.00 0.41 H new ATOM 2102 N PRO A 138 4.586 2.114 -4.417 1.00 0.34 N ATOM 2103 CA PRO A 138 3.863 3.354 -4.623 1.00 0.43 C ATOM 2104 C PRO A 138 3.903 3.824 -6.060 1.00 0.43 C ATOM 2105 O PRO A 138 4.916 3.708 -6.751 1.00 0.45 O ATOM 2106 CB PRO A 138 4.619 4.342 -3.748 1.00 0.53 C ATOM 2107 CG PRO A 138 5.200 3.533 -2.654 1.00 0.54 C ATOM 2108 CD PRO A 138 5.393 2.151 -3.199 1.00 0.39 C ATOM 0 HA PRO A 138 2.806 3.245 -4.382 1.00 0.43 H new ATOM 0 HB2 PRO A 138 5.397 4.853 -4.315 1.00 0.53 H new ATOM 0 HB3 PRO A 138 3.952 5.111 -3.357 1.00 0.53 H new ATOM 0 HG2 PRO A 138 6.149 3.955 -2.322 1.00 0.54 H new ATOM 0 HG3 PRO A 138 4.537 3.519 -1.789 1.00 0.54 H new ATOM 0 HD2 PRO A 138 6.443 1.954 -3.414 1.00 0.39 H new ATOM 0 HD3 PRO A 138 5.066 1.395 -2.485 1.00 0.39 H new ATOM 2116 N GLU A 139 2.790 4.357 -6.490 1.00 0.48 N ATOM 2117 CA GLU A 139 2.686 4.977 -7.804 1.00 0.56 C ATOM 2118 C GLU A 139 3.443 6.294 -7.834 1.00 0.56 C ATOM 2119 O GLU A 139 3.701 6.854 -8.900 1.00 0.64 O ATOM 2120 CB GLU A 139 1.230 5.189 -8.204 1.00 0.71 C ATOM 2121 CG GLU A 139 0.654 4.025 -8.989 1.00 1.35 C ATOM 2122 CD GLU A 139 1.418 3.781 -10.275 1.00 2.40 C ATOM 2123 OE1 GLU A 139 1.048 4.367 -11.307 1.00 2.78 O ATOM 2124 OE2 GLU A 139 2.375 2.977 -10.259 1.00 3.08 O ATOM 0 H GLU A 139 1.926 4.379 -5.948 1.00 0.48 H new ATOM 0 HA GLU A 139 3.136 4.299 -8.529 1.00 0.56 H new ATOM 0 HB2 GLU A 139 0.632 5.346 -7.306 1.00 0.71 H new ATOM 0 HB3 GLU A 139 1.152 6.097 -8.802 1.00 0.71 H new ATOM 0 HG2 GLU A 139 0.679 3.125 -8.375 1.00 1.35 H new ATOM 0 HG3 GLU A 139 -0.392 4.225 -9.220 1.00 1.35 H new ATOM 2131 N GLU A 140 3.786 6.796 -6.651 1.00 0.54 N ATOM 2132 CA GLU A 140 4.728 7.897 -6.538 1.00 0.60 C ATOM 2133 C GLU A 140 6.121 7.428 -6.947 1.00 0.56 C ATOM 2134 O GLU A 140 6.983 8.238 -7.283 1.00 0.65 O ATOM 2135 CB GLU A 140 4.766 8.483 -5.112 1.00 0.67 C ATOM 2136 CG GLU A 140 4.478 7.488 -4.011 1.00 0.63 C ATOM 2137 CD GLU A 140 2.996 7.354 -3.727 1.00 1.12 C ATOM 2138 OE1 GLU A 140 2.469 8.164 -2.936 1.00 1.27 O ATOM 2139 OE2 GLU A 140 2.360 6.444 -4.298 1.00 1.57 O ATOM 0 H GLU A 140 3.424 6.456 -5.760 1.00 0.54 H new ATOM 0 HA GLU A 140 4.393 8.689 -7.208 1.00 0.60 H new ATOM 0 HB2 GLU A 140 5.750 8.920 -4.940 1.00 0.67 H new ATOM 0 HB3 GLU A 140 4.041 9.295 -5.048 1.00 0.67 H new ATOM 0 HG2 GLU A 140 4.881 6.515 -4.290 1.00 0.63 H new ATOM 0 HG3 GLU A 140 4.993 7.797 -3.102 1.00 0.63 H new ATOM 2146 N TRP A 141 6.341 6.111 -6.922 1.00 0.47 N ATOM 2147 CA TRP A 141 7.629 5.547 -7.253 1.00 0.49 C ATOM 2148 C TRP A 141 7.581 4.851 -8.610 1.00 0.51 C ATOM 2149 O TRP A 141 8.577 4.796 -9.329 1.00 0.66 O ATOM 2150 CB TRP A 141 8.062 4.585 -6.168 1.00 0.45 C ATOM 2151 CG TRP A 141 8.178 5.213 -4.804 1.00 0.46 C ATOM 2152 CD1 TRP A 141 8.059 6.536 -4.479 1.00 0.54 C ATOM 2153 CD2 TRP A 141 8.433 4.529 -3.581 1.00 0.44 C ATOM 2154 NE1 TRP A 141 8.224 6.709 -3.126 1.00 0.55 N ATOM 2155 CE2 TRP A 141 8.453 5.491 -2.553 1.00 0.49 C ATOM 2156 CE3 TRP A 141 8.641 3.195 -3.257 1.00 0.45 C ATOM 2157 CZ2 TRP A 141 8.679 5.153 -1.223 1.00 0.52 C ATOM 2158 CZ3 TRP A 141 8.862 2.860 -1.937 1.00 0.50 C ATOM 2159 CH2 TRP A 141 8.876 3.831 -0.936 1.00 0.52 C ATOM 0 H TRP A 141 5.632 5.421 -6.673 1.00 0.47 H new ATOM 0 HA TRP A 141 8.361 6.352 -7.318 1.00 0.49 H new ATOM 0 HB2 TRP A 141 7.348 3.763 -6.119 1.00 0.45 H new ATOM 0 HB3 TRP A 141 9.025 4.154 -6.442 1.00 0.45 H new ATOM 0 HD1 TRP A 141 7.864 7.330 -5.184 1.00 0.54 H new ATOM 0 HE1 TRP A 141 8.182 7.600 -2.631 1.00 0.55 H new ATOM 0 HE3 TRP A 141 8.630 2.434 -4.024 1.00 0.45 H new ATOM 0 HZ2 TRP A 141 8.698 5.905 -0.448 1.00 0.52 H new ATOM 0 HZ3 TRP A 141 9.027 1.826 -1.674 1.00 0.50 H new ATOM 0 HH2 TRP A 141 9.046 3.532 0.088 1.00 0.52 H new ATOM 2170 N GLY A 142 6.414 4.322 -8.955 1.00 0.45 N ATOM 2171 CA GLY A 142 6.227 3.729 -10.265 1.00 0.50 C ATOM 2172 C GLY A 142 5.970 2.239 -10.215 1.00 0.45 C ATOM 2173 O GLY A 142 6.266 1.523 -11.170 1.00 0.53 O ATOM 0 H GLY A 142 5.593 4.293 -8.350 1.00 0.45 H new ATOM 0 HA2 GLY A 142 5.390 4.219 -10.762 1.00 0.50 H new ATOM 0 HA3 GLY A 142 7.113 3.918 -10.872 1.00 0.50 H new ATOM 2177 N GLY A 143 5.438 1.764 -9.100 1.00 0.39 N ATOM 2178 CA GLY A 143 5.109 0.350 -8.992 1.00 0.41 C ATOM 2179 C GLY A 143 3.710 0.037 -9.478 1.00 0.45 C ATOM 2180 O GLY A 143 3.453 0.035 -10.684 1.00 0.60 O ATOM 0 H GLY A 143 5.228 2.322 -8.273 1.00 0.39 H new ATOM 0 HA2 GLY A 143 5.828 -0.231 -9.569 1.00 0.41 H new ATOM 0 HA3 GLY A 143 5.207 0.037 -7.953 1.00 0.41 H new ATOM 2184 N ASP A 144 2.807 -0.254 -8.544 1.00 0.40 N ATOM 2185 CA ASP A 144 1.401 -0.453 -8.878 1.00 0.45 C ATOM 2186 C ASP A 144 0.534 -0.406 -7.618 1.00 0.33 C ATOM 2187 O ASP A 144 -0.177 -1.362 -7.258 1.00 0.35 O ATOM 2188 CB ASP A 144 1.200 -1.777 -9.609 1.00 0.64 C ATOM 2189 CG ASP A 144 -0.203 -1.940 -10.168 1.00 1.33 C ATOM 2190 OD1 ASP A 144 -0.594 -1.146 -11.054 1.00 1.91 O ATOM 2191 OD2 ASP A 144 -0.923 -2.852 -9.715 1.00 1.91 O ATOM 0 H ASP A 144 3.024 -0.357 -7.553 1.00 0.40 H new ATOM 0 HA ASP A 144 1.094 0.357 -9.540 1.00 0.45 H new ATOM 0 HB2 ASP A 144 1.920 -1.849 -10.424 1.00 0.64 H new ATOM 0 HB3 ASP A 144 1.410 -2.599 -8.925 1.00 0.64 H new ATOM 2196 N THR A 145 0.581 0.738 -6.958 1.00 0.26 N ATOM 2197 CA THR A 145 -0.175 0.958 -5.741 1.00 0.24 C ATOM 2198 C THR A 145 -0.241 2.443 -5.414 1.00 0.27 C ATOM 2199 O THR A 145 0.790 3.092 -5.257 1.00 0.37 O ATOM 2200 CB THR A 145 0.458 0.226 -4.536 1.00 0.25 C ATOM 2201 OG1 THR A 145 0.535 -1.186 -4.770 1.00 0.30 O ATOM 2202 CG2 THR A 145 -0.348 0.493 -3.280 1.00 0.30 C ATOM 0 H THR A 145 1.143 1.537 -7.251 1.00 0.26 H new ATOM 0 HA THR A 145 -1.176 0.563 -5.916 1.00 0.24 H new ATOM 0 HB THR A 145 1.470 0.609 -4.405 1.00 0.25 H new ATOM 0 HG1 THR A 145 -0.054 -1.427 -5.515 1.00 0.30 H new ATOM 0 HG21 THR A 145 0.108 -0.028 -2.438 1.00 0.30 H new ATOM 0 HG22 THR A 145 -0.364 1.564 -3.079 1.00 0.30 H new ATOM 0 HG23 THR A 145 -1.368 0.135 -3.419 1.00 0.30 H new ATOM 2210 N ILE A 146 -1.440 2.982 -5.303 1.00 0.26 N ATOM 2211 CA ILE A 146 -1.601 4.342 -4.843 1.00 0.28 C ATOM 2212 C ILE A 146 -1.603 4.359 -3.320 1.00 0.23 C ATOM 2213 O ILE A 146 -2.522 3.845 -2.685 1.00 0.24 O ATOM 2214 CB ILE A 146 -2.900 4.975 -5.392 1.00 0.36 C ATOM 2215 CG1 ILE A 146 -2.751 5.320 -6.873 1.00 0.53 C ATOM 2216 CG2 ILE A 146 -3.285 6.212 -4.594 1.00 0.34 C ATOM 2217 CD1 ILE A 146 -1.756 6.430 -7.139 1.00 0.63 C ATOM 0 H ILE A 146 -2.311 2.499 -5.525 1.00 0.26 H new ATOM 0 HA ILE A 146 -0.767 4.937 -5.216 1.00 0.28 H new ATOM 0 HB ILE A 146 -3.699 4.241 -5.287 1.00 0.36 H new ATOM 0 HG12 ILE A 146 -2.441 4.427 -7.416 1.00 0.53 H new ATOM 0 HG13 ILE A 146 -3.723 5.612 -7.269 1.00 0.53 H new ATOM 0 HG21 ILE A 146 -4.202 6.637 -5.002 1.00 0.34 H new ATOM 0 HG22 ILE A 146 -3.445 5.937 -3.551 1.00 0.34 H new ATOM 0 HG23 ILE A 146 -2.484 6.949 -4.657 1.00 0.34 H new ATOM 0 HD11 ILE A 146 -1.702 6.621 -8.211 1.00 0.63 H new ATOM 0 HD12 ILE A 146 -2.076 7.336 -6.624 1.00 0.63 H new ATOM 0 HD13 ILE A 146 -0.773 6.133 -6.774 1.00 0.63 H new ATOM 2229 N PHE A 147 -0.541 4.890 -2.738 1.00 0.25 N ATOM 2230 CA PHE A 147 -0.474 5.036 -1.302 1.00 0.30 C ATOM 2231 C PHE A 147 -1.090 6.351 -0.883 1.00 0.32 C ATOM 2232 O PHE A 147 -1.004 7.362 -1.582 1.00 0.50 O ATOM 2233 CB PHE A 147 0.953 5.018 -0.783 1.00 0.41 C ATOM 2234 CG PHE A 147 1.642 3.685 -0.839 1.00 0.33 C ATOM 2235 CD1 PHE A 147 1.683 2.945 -2.005 1.00 0.32 C ATOM 2236 CD2 PHE A 147 2.245 3.169 0.294 1.00 0.37 C ATOM 2237 CE1 PHE A 147 2.314 1.717 -2.040 1.00 0.33 C ATOM 2238 CE2 PHE A 147 2.872 1.944 0.262 1.00 0.36 C ATOM 2239 CZ PHE A 147 2.907 1.216 -0.904 1.00 0.33 C ATOM 0 H PHE A 147 0.282 5.225 -3.240 1.00 0.25 H new ATOM 0 HA PHE A 147 -1.017 4.189 -0.883 1.00 0.30 H new ATOM 0 HB2 PHE A 147 1.539 5.735 -1.357 1.00 0.41 H new ATOM 0 HB3 PHE A 147 0.950 5.363 0.251 1.00 0.41 H new ATOM 0 HD1 PHE A 147 1.216 3.331 -2.899 1.00 0.32 H new ATOM 0 HD2 PHE A 147 2.224 3.734 1.214 1.00 0.37 H new ATOM 0 HE1 PHE A 147 2.342 1.150 -2.959 1.00 0.33 H new ATOM 0 HE2 PHE A 147 3.338 1.554 1.155 1.00 0.36 H new ATOM 0 HZ PHE A 147 3.398 0.254 -0.928 1.00 0.33 H new ATOM 2249 N CYS A 148 -1.709 6.311 0.253 1.00 0.26 N ATOM 2250 CA CYS A 148 -2.223 7.483 0.911 1.00 0.27 C ATOM 2251 C CYS A 148 -1.527 7.646 2.252 1.00 0.31 C ATOM 2252 O CYS A 148 -1.327 6.671 2.959 1.00 0.53 O ATOM 2253 CB CYS A 148 -3.727 7.332 1.114 1.00 0.30 C ATOM 2254 SG CYS A 148 -4.652 7.060 -0.414 1.00 0.68 S ATOM 0 H CYS A 148 -1.878 5.446 0.766 1.00 0.26 H new ATOM 0 HA CYS A 148 -2.036 8.366 0.300 1.00 0.27 H new ATOM 0 HB2 CYS A 148 -3.910 6.497 1.791 1.00 0.30 H new ATOM 0 HB3 CYS A 148 -4.109 8.228 1.603 1.00 0.30 H new ATOM 0 HG CYS A 148 -5.098 5.839 -0.440 1.00 0.68 H new ATOM 2260 N LYS A 149 -1.129 8.856 2.590 1.00 0.29 N ATOM 2261 CA LYS A 149 -0.507 9.113 3.884 1.00 0.28 C ATOM 2262 C LYS A 149 -1.466 9.920 4.742 1.00 0.28 C ATOM 2263 O LYS A 149 -1.462 11.149 4.713 1.00 0.40 O ATOM 2264 CB LYS A 149 0.821 9.858 3.699 1.00 0.36 C ATOM 2265 CG LYS A 149 1.804 9.118 2.805 1.00 0.56 C ATOM 2266 CD LYS A 149 3.066 9.929 2.544 1.00 0.89 C ATOM 2267 CE LYS A 149 4.021 9.169 1.635 1.00 1.01 C ATOM 2268 NZ LYS A 149 5.269 9.929 1.346 1.00 1.44 N ATOM 0 H LYS A 149 -1.222 9.678 1.993 1.00 0.29 H new ATOM 0 HA LYS A 149 -0.291 8.168 4.382 1.00 0.28 H new ATOM 0 HB2 LYS A 149 0.622 10.841 3.273 1.00 0.36 H new ATOM 0 HB3 LYS A 149 1.278 10.020 4.675 1.00 0.36 H new ATOM 0 HG2 LYS A 149 2.073 8.170 3.270 1.00 0.56 H new ATOM 0 HG3 LYS A 149 1.323 8.882 1.856 1.00 0.56 H new ATOM 0 HD2 LYS A 149 2.802 10.882 2.086 1.00 0.89 H new ATOM 0 HD3 LYS A 149 3.560 10.155 3.489 1.00 0.89 H new ATOM 0 HE2 LYS A 149 4.280 8.218 2.101 1.00 1.01 H new ATOM 0 HE3 LYS A 149 3.516 8.938 0.697 1.00 1.01 H new ATOM 0 HZ1 LYS A 149 5.803 9.447 0.595 1.00 1.44 H new ATOM 0 HZ2 LYS A 149 5.025 10.891 1.034 1.00 1.44 H new ATOM 0 HZ3 LYS A 149 5.851 9.981 2.206 1.00 1.44 H new ATOM 2282 N LEU A 150 -2.302 9.219 5.492 1.00 0.21 N ATOM 2283 CA LEU A 150 -3.400 9.842 6.190 1.00 0.22 C ATOM 2284 C LEU A 150 -3.250 9.738 7.696 1.00 0.19 C ATOM 2285 O LEU A 150 -2.314 9.152 8.234 1.00 0.17 O ATOM 2286 CB LEU A 150 -4.718 9.197 5.752 1.00 0.25 C ATOM 2287 CG LEU A 150 -4.937 7.753 6.177 1.00 0.26 C ATOM 2288 CD1 LEU A 150 -5.765 7.670 7.441 1.00 0.79 C ATOM 2289 CD2 LEU A 150 -5.585 6.962 5.058 1.00 0.84 C ATOM 0 H LEU A 150 -2.234 8.211 5.629 1.00 0.21 H new ATOM 0 HA LEU A 150 -3.399 10.901 5.934 1.00 0.22 H new ATOM 0 HB2 LEU A 150 -5.539 9.797 6.144 1.00 0.25 H new ATOM 0 HB3 LEU A 150 -4.778 9.246 4.665 1.00 0.25 H new ATOM 0 HG LEU A 150 -3.962 7.316 6.391 1.00 0.26 H new ATOM 0 HD11 LEU A 150 -5.903 6.625 7.718 1.00 0.79 H new ATOM 0 HD12 LEU A 150 -5.252 8.194 8.247 1.00 0.79 H new ATOM 0 HD13 LEU A 150 -6.738 8.132 7.270 1.00 0.79 H new ATOM 0 HD21 LEU A 150 -5.734 5.931 5.380 1.00 0.84 H new ATOM 0 HD22 LEU A 150 -6.548 7.407 4.808 1.00 0.84 H new ATOM 0 HD23 LEU A 150 -4.939 6.978 4.180 1.00 0.84 H new ATOM 2301 N SER A 151 -4.222 10.302 8.346 1.00 0.26 N ATOM 2302 CA SER A 151 -4.336 10.335 9.770 1.00 0.29 C ATOM 2303 C SER A 151 -5.809 10.247 10.097 1.00 0.25 C ATOM 2304 O SER A 151 -6.523 11.247 10.044 1.00 0.29 O ATOM 2305 CB SER A 151 -3.769 11.642 10.289 1.00 0.46 C ATOM 2306 OG SER A 151 -4.153 12.726 9.460 1.00 1.77 O ATOM 0 H SER A 151 -4.993 10.774 7.874 1.00 0.26 H new ATOM 0 HA SER A 151 -3.788 9.513 10.231 1.00 0.29 H new ATOM 0 HB2 SER A 151 -4.119 11.816 11.307 1.00 0.46 H new ATOM 0 HB3 SER A 151 -2.682 11.579 10.332 1.00 0.46 H new ATOM 0 HG SER A 151 -3.415 12.954 8.857 1.00 1.77 H new ATOM 2312 N ALA A 152 -6.289 9.054 10.368 1.00 0.28 N ATOM 2313 CA ALA A 152 -7.697 8.876 10.646 1.00 0.31 C ATOM 2314 C ALA A 152 -8.051 9.559 11.951 1.00 0.33 C ATOM 2315 O ALA A 152 -9.217 9.852 12.217 1.00 0.41 O ATOM 2316 CB ALA A 152 -8.052 7.409 10.681 1.00 0.41 C ATOM 0 H ALA A 152 -5.732 8.200 10.402 1.00 0.28 H new ATOM 0 HA ALA A 152 -8.279 9.335 9.847 1.00 0.31 H new ATOM 0 HB1 ALA A 152 -9.116 7.297 10.892 1.00 0.41 H new ATOM 0 HB2 ALA A 152 -7.823 6.956 9.716 1.00 0.41 H new ATOM 0 HB3 ALA A 152 -7.474 6.913 11.461 1.00 0.41 H new ATOM 2322 N LYS A 153 -7.031 9.832 12.752 1.00 0.30 N ATOM 2323 CA LYS A 153 -7.231 10.585 13.974 1.00 0.34 C ATOM 2324 C LYS A 153 -7.298 12.089 13.703 1.00 0.36 C ATOM 2325 O LYS A 153 -8.161 12.772 14.248 1.00 0.49 O ATOM 2326 CB LYS A 153 -6.158 10.274 14.998 1.00 0.35 C ATOM 2327 CG LYS A 153 -6.326 8.919 15.671 1.00 0.60 C ATOM 2328 CD LYS A 153 -7.669 8.800 16.380 1.00 1.12 C ATOM 2329 CE LYS A 153 -7.820 7.446 17.062 1.00 1.65 C ATOM 2330 NZ LYS A 153 -9.161 7.273 17.686 1.00 2.30 N ATOM 0 H LYS A 153 -6.068 9.545 12.578 1.00 0.30 H new ATOM 0 HA LYS A 153 -8.191 10.276 14.387 1.00 0.34 H new ATOM 0 HB2 LYS A 153 -5.183 10.309 14.511 1.00 0.35 H new ATOM 0 HB3 LYS A 153 -6.161 11.052 15.762 1.00 0.35 H new ATOM 0 HG2 LYS A 153 -6.238 8.129 14.925 1.00 0.60 H new ATOM 0 HG3 LYS A 153 -5.521 8.769 16.390 1.00 0.60 H new ATOM 0 HD2 LYS A 153 -7.763 9.594 17.120 1.00 1.12 H new ATOM 0 HD3 LYS A 153 -8.476 8.938 15.660 1.00 1.12 H new ATOM 0 HE2 LYS A 153 -7.657 6.654 16.331 1.00 1.65 H new ATOM 0 HE3 LYS A 153 -7.050 7.339 17.826 1.00 1.65 H new ATOM 0 HZ1 LYS A 153 -9.216 6.338 18.137 1.00 2.30 H new ATOM 0 HZ2 LYS A 153 -9.308 8.012 18.403 1.00 2.30 H new ATOM 0 HZ3 LYS A 153 -9.897 7.348 16.955 1.00 2.30 H new ATOM 2344 N THR A 154 -6.407 12.613 12.853 1.00 0.30 N ATOM 2345 CA THR A 154 -6.438 14.040 12.528 1.00 0.39 C ATOM 2346 C THR A 154 -7.575 14.351 11.559 1.00 0.36 C ATOM 2347 O THR A 154 -7.959 15.510 11.368 1.00 0.41 O ATOM 2348 CB THR A 154 -5.110 14.516 11.909 1.00 0.47 C ATOM 2349 OG1 THR A 154 -4.016 13.846 12.530 1.00 0.50 O ATOM 2350 CG2 THR A 154 -4.925 16.009 12.094 1.00 0.70 C ATOM 0 H THR A 154 -5.671 12.082 12.387 1.00 0.30 H new ATOM 0 HA THR A 154 -6.597 14.572 13.466 1.00 0.39 H new ATOM 0 HB THR A 154 -5.141 14.287 10.844 1.00 0.47 H new ATOM 0 HG1 THR A 154 -3.915 14.167 13.450 1.00 0.50 H new ATOM 0 HG21 THR A 154 -3.979 16.317 11.647 1.00 0.70 H new ATOM 0 HG22 THR A 154 -5.745 16.540 11.610 1.00 0.70 H new ATOM 0 HG23 THR A 154 -4.918 16.246 13.158 1.00 0.70 H new ATOM 2358 N LYS A 155 -8.098 13.287 10.949 1.00 0.30 N ATOM 2359 CA LYS A 155 -9.193 13.379 9.982 1.00 0.32 C ATOM 2360 C LYS A 155 -8.735 14.103 8.735 1.00 0.34 C ATOM 2361 O LYS A 155 -9.422 14.974 8.211 1.00 0.41 O ATOM 2362 CB LYS A 155 -10.421 14.073 10.572 1.00 0.38 C ATOM 2363 CG LYS A 155 -11.189 13.197 11.530 1.00 0.40 C ATOM 2364 CD LYS A 155 -11.459 11.836 10.922 1.00 0.45 C ATOM 2365 CE LYS A 155 -12.411 11.030 11.787 1.00 0.61 C ATOM 2366 NZ LYS A 155 -11.922 10.900 13.189 1.00 1.36 N ATOM 0 H LYS A 155 -7.773 12.334 11.112 1.00 0.30 H new ATOM 0 HA LYS A 155 -9.483 12.361 9.722 1.00 0.32 H new ATOM 0 HB2 LYS A 155 -10.106 14.979 11.090 1.00 0.38 H new ATOM 0 HB3 LYS A 155 -11.081 14.382 9.762 1.00 0.38 H new ATOM 0 HG2 LYS A 155 -10.624 13.081 12.455 1.00 0.40 H new ATOM 0 HG3 LYS A 155 -12.132 13.677 11.791 1.00 0.40 H new ATOM 0 HD2 LYS A 155 -11.883 11.957 9.925 1.00 0.45 H new ATOM 0 HD3 LYS A 155 -10.521 11.294 10.806 1.00 0.45 H new ATOM 0 HE2 LYS A 155 -13.391 11.507 11.788 1.00 0.61 H new ATOM 0 HE3 LYS A 155 -12.540 10.038 11.355 1.00 0.61 H new ATOM 0 HZ1 LYS A 155 -12.497 10.195 13.693 1.00 1.36 H new ATOM 0 HZ2 LYS A 155 -10.928 10.595 13.183 1.00 1.36 H new ATOM 0 HZ3 LYS A 155 -12.000 11.819 13.670 1.00 1.36 H new ATOM 2380 N GLU A 156 -7.570 13.714 8.261 1.00 0.30 N ATOM 2381 CA GLU A 156 -6.958 14.388 7.131 1.00 0.33 C ATOM 2382 C GLU A 156 -7.031 13.518 5.880 1.00 0.28 C ATOM 2383 O GLU A 156 -7.624 13.890 4.861 1.00 0.30 O ATOM 2384 CB GLU A 156 -5.508 14.755 7.499 1.00 0.40 C ATOM 2385 CG GLU A 156 -4.463 14.380 6.461 1.00 1.30 C ATOM 2386 CD GLU A 156 -3.052 14.645 6.933 1.00 1.70 C ATOM 2387 OE1 GLU A 156 -2.491 13.787 7.638 1.00 2.48 O ATOM 2388 OE2 GLU A 156 -2.499 15.717 6.600 1.00 1.52 O ATOM 0 H GLU A 156 -7.028 12.937 8.638 1.00 0.30 H new ATOM 0 HA GLU A 156 -7.501 15.305 6.903 1.00 0.33 H new ATOM 0 HB2 GLU A 156 -5.455 15.830 7.673 1.00 0.40 H new ATOM 0 HB3 GLU A 156 -5.254 14.267 8.440 1.00 0.40 H new ATOM 0 HG2 GLU A 156 -4.566 13.324 6.212 1.00 1.30 H new ATOM 0 HG3 GLU A 156 -4.647 14.943 5.546 1.00 1.30 H new ATOM 2395 N GLY A 157 -6.477 12.333 5.980 1.00 0.29 N ATOM 2396 CA GLY A 157 -6.352 11.497 4.829 1.00 0.28 C ATOM 2397 C GLY A 157 -7.550 10.613 4.594 1.00 0.27 C ATOM 2398 O GLY A 157 -7.544 9.812 3.674 1.00 0.29 O ATOM 0 H GLY A 157 -6.110 11.935 6.845 1.00 0.29 H new ATOM 0 HA2 GLY A 157 -6.195 12.123 3.951 1.00 0.28 H new ATOM 0 HA3 GLY A 157 -5.465 10.872 4.938 1.00 0.28 H new ATOM 2402 N LEU A 158 -8.572 10.733 5.431 1.00 0.26 N ATOM 2403 CA LEU A 158 -9.787 9.974 5.214 1.00 0.28 C ATOM 2404 C LEU A 158 -10.553 10.580 4.053 1.00 0.30 C ATOM 2405 O LEU A 158 -11.066 9.868 3.183 1.00 0.33 O ATOM 2406 CB LEU A 158 -10.633 9.934 6.482 1.00 0.31 C ATOM 2407 CG LEU A 158 -10.032 9.103 7.616 1.00 0.47 C ATOM 2408 CD1 LEU A 158 -10.960 9.072 8.814 1.00 0.73 C ATOM 2409 CD2 LEU A 158 -9.736 7.689 7.138 1.00 0.80 C ATOM 0 H LEU A 158 -8.582 11.339 6.252 1.00 0.26 H new ATOM 0 HA LEU A 158 -9.533 8.944 4.966 1.00 0.28 H new ATOM 0 HB2 LEU A 158 -10.784 10.954 6.836 1.00 0.31 H new ATOM 0 HB3 LEU A 158 -11.616 9.533 6.236 1.00 0.31 H new ATOM 0 HG LEU A 158 -9.097 9.572 7.922 1.00 0.47 H new ATOM 0 HD11 LEU A 158 -10.510 8.475 9.607 1.00 0.73 H new ATOM 0 HD12 LEU A 158 -11.124 10.088 9.173 1.00 0.73 H new ATOM 0 HD13 LEU A 158 -11.914 8.631 8.524 1.00 0.73 H new ATOM 0 HD21 LEU A 158 -9.309 7.110 7.957 1.00 0.80 H new ATOM 0 HD22 LEU A 158 -10.660 7.217 6.804 1.00 0.80 H new ATOM 0 HD23 LEU A 158 -9.027 7.725 6.311 1.00 0.80 H new ATOM 2421 N ASP A 159 -10.590 11.905 4.023 1.00 0.32 N ATOM 2422 CA ASP A 159 -11.137 12.611 2.883 1.00 0.38 C ATOM 2423 C ASP A 159 -10.233 12.401 1.681 1.00 0.32 C ATOM 2424 O ASP A 159 -10.700 12.113 0.585 1.00 0.33 O ATOM 2425 CB ASP A 159 -11.294 14.105 3.173 1.00 0.50 C ATOM 2426 CG ASP A 159 -12.417 14.405 4.142 1.00 1.25 C ATOM 2427 OD1 ASP A 159 -13.592 14.406 3.716 1.00 1.42 O ATOM 2428 OD2 ASP A 159 -12.133 14.628 5.340 1.00 2.20 O ATOM 0 H ASP A 159 -10.249 12.506 4.773 1.00 0.32 H new ATOM 0 HA ASP A 159 -12.129 12.211 2.672 1.00 0.38 H new ATOM 0 HB2 ASP A 159 -10.359 14.491 3.579 1.00 0.50 H new ATOM 0 HB3 ASP A 159 -11.478 14.634 2.238 1.00 0.50 H new ATOM 2433 N HIS A 160 -8.924 12.509 1.910 1.00 0.30 N ATOM 2434 CA HIS A 160 -7.940 12.296 0.851 1.00 0.30 C ATOM 2435 C HIS A 160 -7.984 10.855 0.323 1.00 0.28 C ATOM 2436 O HIS A 160 -7.584 10.591 -0.812 1.00 0.33 O ATOM 2437 CB HIS A 160 -6.536 12.631 1.371 1.00 0.34 C ATOM 2438 CG HIS A 160 -5.436 12.401 0.376 1.00 0.41 C ATOM 2439 ND1 HIS A 160 -5.089 13.316 -0.593 1.00 0.52 N ATOM 2440 CD2 HIS A 160 -4.603 11.348 0.211 1.00 0.46 C ATOM 2441 CE1 HIS A 160 -4.088 12.838 -1.309 1.00 0.58 C ATOM 2442 NE2 HIS A 160 -3.775 11.646 -0.841 1.00 0.54 N ATOM 0 H HIS A 160 -8.522 12.742 2.818 1.00 0.30 H new ATOM 0 HA HIS A 160 -8.186 12.958 0.021 1.00 0.30 H new ATOM 0 HB2 HIS A 160 -6.516 13.676 1.681 1.00 0.34 H new ATOM 0 HB3 HIS A 160 -6.338 12.031 2.259 1.00 0.34 H new ATOM 0 HD2 HIS A 160 -4.592 10.442 0.798 1.00 0.46 H new ATOM 0 HE1 HIS A 160 -3.608 13.338 -2.137 1.00 0.58 H new ATOM 0 HE2 HIS A 160 -3.036 11.043 -1.203 1.00 0.54 H new ATOM 2451 N LEU A 161 -8.487 9.932 1.135 1.00 0.27 N ATOM 2452 CA LEU A 161 -8.529 8.524 0.764 1.00 0.28 C ATOM 2453 C LEU A 161 -9.516 8.321 -0.362 1.00 0.29 C ATOM 2454 O LEU A 161 -9.174 7.816 -1.429 1.00 0.31 O ATOM 2455 CB LEU A 161 -8.937 7.666 1.962 1.00 0.29 C ATOM 2456 CG LEU A 161 -8.942 6.154 1.720 1.00 0.57 C ATOM 2457 CD1 LEU A 161 -7.549 5.662 1.367 1.00 1.15 C ATOM 2458 CD2 LEU A 161 -9.470 5.423 2.944 1.00 1.16 C ATOM 0 H LEU A 161 -8.872 10.135 2.057 1.00 0.27 H new ATOM 0 HA LEU A 161 -7.534 8.221 0.437 1.00 0.28 H new ATOM 0 HB2 LEU A 161 -8.260 7.882 2.788 1.00 0.29 H new ATOM 0 HB3 LEU A 161 -9.935 7.969 2.280 1.00 0.29 H new ATOM 0 HG LEU A 161 -9.602 5.944 0.878 1.00 0.57 H new ATOM 0 HD11 LEU A 161 -7.575 4.585 1.199 1.00 1.15 H new ATOM 0 HD12 LEU A 161 -7.205 6.162 0.462 1.00 1.15 H new ATOM 0 HD13 LEU A 161 -6.866 5.885 2.187 1.00 1.15 H new ATOM 0 HD21 LEU A 161 -9.467 4.349 2.756 1.00 1.16 H new ATOM 0 HD22 LEU A 161 -8.834 5.643 3.802 1.00 1.16 H new ATOM 0 HD23 LEU A 161 -10.488 5.752 3.153 1.00 1.16 H new ATOM 2470 N LEU A 162 -10.741 8.751 -0.119 1.00 0.31 N ATOM 2471 CA LEU A 162 -11.799 8.620 -1.099 1.00 0.37 C ATOM 2472 C LEU A 162 -11.502 9.472 -2.336 1.00 0.38 C ATOM 2473 O LEU A 162 -11.989 9.178 -3.421 1.00 0.45 O ATOM 2474 CB LEU A 162 -13.144 8.971 -0.454 1.00 0.47 C ATOM 2475 CG LEU A 162 -13.293 10.400 0.082 1.00 0.85 C ATOM 2476 CD1 LEU A 162 -13.694 11.361 -1.025 1.00 1.49 C ATOM 2477 CD2 LEU A 162 -14.313 10.433 1.209 1.00 1.51 C ATOM 0 H LEU A 162 -11.027 9.196 0.753 1.00 0.31 H new ATOM 0 HA LEU A 162 -11.854 7.586 -1.441 1.00 0.37 H new ATOM 0 HB2 LEU A 162 -13.930 8.798 -1.189 1.00 0.47 H new ATOM 0 HB3 LEU A 162 -13.319 8.278 0.369 1.00 0.47 H new ATOM 0 HG LEU A 162 -12.326 10.721 0.471 1.00 0.85 H new ATOM 0 HD11 LEU A 162 -13.792 12.367 -0.616 1.00 1.49 H new ATOM 0 HD12 LEU A 162 -12.931 11.359 -1.803 1.00 1.49 H new ATOM 0 HD13 LEU A 162 -14.647 11.048 -1.451 1.00 1.49 H new ATOM 0 HD21 LEU A 162 -14.410 11.453 1.582 1.00 1.51 H new ATOM 0 HD22 LEU A 162 -15.278 10.089 0.837 1.00 1.51 H new ATOM 0 HD23 LEU A 162 -13.983 9.781 2.018 1.00 1.51 H new ATOM 2489 N GLU A 163 -10.688 10.517 -2.169 1.00 0.37 N ATOM 2490 CA GLU A 163 -10.216 11.307 -3.302 1.00 0.44 C ATOM 2491 C GLU A 163 -9.298 10.468 -4.191 1.00 0.41 C ATOM 2492 O GLU A 163 -9.417 10.479 -5.416 1.00 0.50 O ATOM 2493 CB GLU A 163 -9.465 12.543 -2.819 1.00 0.56 C ATOM 2494 CG GLU A 163 -10.325 13.518 -2.036 1.00 1.03 C ATOM 2495 CD GLU A 163 -11.371 14.203 -2.891 1.00 1.78 C ATOM 2496 OE1 GLU A 163 -10.995 14.854 -3.886 1.00 2.14 O ATOM 2497 OE2 GLU A 163 -12.568 14.130 -2.549 1.00 2.57 O ATOM 0 H GLU A 163 -10.344 10.833 -1.262 1.00 0.37 H new ATOM 0 HA GLU A 163 -11.085 11.623 -3.879 1.00 0.44 H new ATOM 0 HB2 GLU A 163 -8.630 12.227 -2.194 1.00 0.56 H new ATOM 0 HB3 GLU A 163 -9.041 13.059 -3.681 1.00 0.56 H new ATOM 0 HG2 GLU A 163 -10.820 12.986 -1.223 1.00 1.03 H new ATOM 0 HG3 GLU A 163 -9.685 14.273 -1.580 1.00 1.03 H new ATOM 2504 N MET A 164 -8.381 9.737 -3.566 1.00 0.37 N ATOM 2505 CA MET A 164 -7.474 8.862 -4.302 1.00 0.39 C ATOM 2506 C MET A 164 -8.246 7.708 -4.923 1.00 0.37 C ATOM 2507 O MET A 164 -7.952 7.270 -6.033 1.00 0.43 O ATOM 2508 CB MET A 164 -6.371 8.324 -3.390 1.00 0.43 C ATOM 2509 CG MET A 164 -5.421 9.387 -2.852 1.00 0.64 C ATOM 2510 SD MET A 164 -4.311 10.075 -4.104 1.00 0.58 S ATOM 2511 CE MET A 164 -5.401 11.183 -4.999 1.00 0.53 C ATOM 0 H MET A 164 -8.246 9.732 -2.555 1.00 0.37 H new ATOM 0 HA MET A 164 -7.007 9.447 -5.095 1.00 0.39 H new ATOM 0 HB2 MET A 164 -6.833 7.808 -2.548 1.00 0.43 H new ATOM 0 HB3 MET A 164 -5.792 7.582 -3.940 1.00 0.43 H new ATOM 0 HG2 MET A 164 -6.006 10.196 -2.415 1.00 0.64 H new ATOM 0 HG3 MET A 164 -4.824 8.955 -2.049 1.00 0.64 H new ATOM 0 HE1 MET A 164 -4.890 12.129 -5.180 1.00 0.53 H new ATOM 0 HE2 MET A 164 -5.677 10.731 -5.952 1.00 0.53 H new ATOM 0 HE3 MET A 164 -6.300 11.364 -4.410 1.00 0.53 H new ATOM 2521 N ILE A 165 -9.244 7.226 -4.195 1.00 0.34 N ATOM 2522 CA ILE A 165 -10.126 6.193 -4.712 1.00 0.38 C ATOM 2523 C ILE A 165 -10.958 6.743 -5.870 1.00 0.44 C ATOM 2524 O ILE A 165 -11.298 6.023 -6.805 1.00 0.52 O ATOM 2525 CB ILE A 165 -11.063 5.649 -3.614 1.00 0.40 C ATOM 2526 CG1 ILE A 165 -10.249 5.049 -2.465 1.00 0.42 C ATOM 2527 CG2 ILE A 165 -12.009 4.608 -4.191 1.00 0.50 C ATOM 2528 CD1 ILE A 165 -11.096 4.590 -1.298 1.00 0.50 C ATOM 0 H ILE A 165 -9.461 7.534 -3.247 1.00 0.34 H new ATOM 0 HA ILE A 165 -9.503 5.372 -5.066 1.00 0.38 H new ATOM 0 HB ILE A 165 -11.655 6.477 -3.224 1.00 0.40 H new ATOM 0 HG12 ILE A 165 -9.674 4.203 -2.841 1.00 0.42 H new ATOM 0 HG13 ILE A 165 -9.532 5.790 -2.113 1.00 0.42 H new ATOM 0 HG21 ILE A 165 -12.663 4.234 -3.403 1.00 0.50 H new ATOM 0 HG22 ILE A 165 -12.611 5.061 -4.979 1.00 0.50 H new ATOM 0 HG23 ILE A 165 -11.432 3.782 -4.605 1.00 0.50 H new ATOM 0 HD11 ILE A 165 -10.452 4.176 -0.522 1.00 0.50 H new ATOM 0 HD12 ILE A 165 -11.651 5.438 -0.896 1.00 0.50 H new ATOM 0 HD13 ILE A 165 -11.796 3.825 -1.635 1.00 0.50 H new ATOM 2540 N LEU A 166 -11.274 8.029 -5.797 1.00 0.46 N ATOM 2541 CA LEU A 166 -11.995 8.721 -6.859 1.00 0.57 C ATOM 2542 C LEU A 166 -11.142 8.821 -8.116 1.00 0.61 C ATOM 2543 O LEU A 166 -11.656 8.770 -9.232 1.00 0.70 O ATOM 2544 CB LEU A 166 -12.415 10.113 -6.383 1.00 0.66 C ATOM 2545 CG LEU A 166 -12.650 11.135 -7.490 1.00 1.07 C ATOM 2546 CD1 LEU A 166 -14.074 11.672 -7.434 1.00 1.73 C ATOM 2547 CD2 LEU A 166 -11.638 12.267 -7.387 1.00 1.38 C ATOM 0 H LEU A 166 -11.038 8.622 -5.001 1.00 0.46 H new ATOM 0 HA LEU A 166 -12.889 8.147 -7.104 1.00 0.57 H new ATOM 0 HB2 LEU A 166 -13.330 10.019 -5.798 1.00 0.66 H new ATOM 0 HB3 LEU A 166 -11.646 10.498 -5.713 1.00 0.66 H new ATOM 0 HG LEU A 166 -12.516 10.641 -8.452 1.00 1.07 H new ATOM 0 HD11 LEU A 166 -14.220 12.400 -8.232 1.00 1.73 H new ATOM 0 HD12 LEU A 166 -14.778 10.849 -7.559 1.00 1.73 H new ATOM 0 HD13 LEU A 166 -14.244 12.152 -6.470 1.00 1.73 H new ATOM 0 HD21 LEU A 166 -11.818 12.989 -8.183 1.00 1.38 H new ATOM 0 HD22 LEU A 166 -11.741 12.760 -6.420 1.00 1.38 H new ATOM 0 HD23 LEU A 166 -10.630 11.864 -7.483 1.00 1.38 H new ATOM 2559 N LEU A 167 -9.844 8.986 -7.927 1.00 0.56 N ATOM 2560 CA LEU A 167 -8.889 8.921 -9.028 1.00 0.64 C ATOM 2561 C LEU A 167 -9.021 7.577 -9.728 1.00 0.66 C ATOM 2562 O LEU A 167 -9.013 7.482 -10.955 1.00 0.75 O ATOM 2563 CB LEU A 167 -7.466 9.088 -8.498 1.00 0.64 C ATOM 2564 CG LEU A 167 -6.376 9.273 -9.559 1.00 0.81 C ATOM 2565 CD1 LEU A 167 -6.619 10.543 -10.364 1.00 1.47 C ATOM 2566 CD2 LEU A 167 -5.003 9.310 -8.906 1.00 1.51 C ATOM 0 H LEU A 167 -9.422 9.167 -7.016 1.00 0.56 H new ATOM 0 HA LEU A 167 -9.098 9.724 -9.734 1.00 0.64 H new ATOM 0 HB2 LEU A 167 -7.446 9.949 -7.830 1.00 0.64 H new ATOM 0 HB3 LEU A 167 -7.217 8.213 -7.898 1.00 0.64 H new ATOM 0 HG LEU A 167 -6.413 8.424 -10.242 1.00 0.81 H new ATOM 0 HD11 LEU A 167 -5.834 10.656 -11.112 1.00 1.47 H new ATOM 0 HD12 LEU A 167 -7.587 10.479 -10.861 1.00 1.47 H new ATOM 0 HD13 LEU A 167 -6.610 11.404 -9.696 1.00 1.47 H new ATOM 0 HD21 LEU A 167 -4.239 9.442 -9.672 1.00 1.51 H new ATOM 0 HD22 LEU A 167 -4.957 10.140 -8.201 1.00 1.51 H new ATOM 0 HD23 LEU A 167 -4.827 8.374 -8.376 1.00 1.51 H new ATOM 2578 N VAL A 168 -9.153 6.536 -8.927 1.00 0.61 N ATOM 2579 CA VAL A 168 -9.382 5.201 -9.434 1.00 0.69 C ATOM 2580 C VAL A 168 -10.781 5.098 -10.049 1.00 0.77 C ATOM 2581 O VAL A 168 -10.964 4.491 -11.102 1.00 0.89 O ATOM 2582 CB VAL A 168 -9.227 4.150 -8.318 1.00 0.68 C ATOM 2583 CG1 VAL A 168 -9.395 2.757 -8.879 1.00 0.84 C ATOM 2584 CG2 VAL A 168 -7.878 4.296 -7.628 1.00 0.66 C ATOM 0 H VAL A 168 -9.104 6.594 -7.910 1.00 0.61 H new ATOM 0 HA VAL A 168 -8.635 5.003 -10.203 1.00 0.69 H new ATOM 0 HB VAL A 168 -10.007 4.316 -7.575 1.00 0.68 H new ATOM 0 HG11 VAL A 168 -9.283 2.026 -8.078 1.00 0.84 H new ATOM 0 HG12 VAL A 168 -10.386 2.660 -9.322 1.00 0.84 H new ATOM 0 HG13 VAL A 168 -8.637 2.578 -9.642 1.00 0.84 H new ATOM 0 HG21 VAL A 168 -7.788 3.545 -6.843 1.00 0.66 H new ATOM 0 HG22 VAL A 168 -7.080 4.157 -8.357 1.00 0.66 H new ATOM 0 HG23 VAL A 168 -7.800 5.291 -7.189 1.00 0.66 H new