USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 533 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 42 SER OG : rot 85:sc= -0.0678! USER MOD Set 1.2: A 44 THR OG1 : rot 180:sc= 0.87 USER MOD Set 1.3: A 45 GLN : amide:sc= -1.88! C(o=-1.1!,f=-9.5!) USER MOD Single : A 11 LYS NZ :NH3+ 125:sc= -0.0924 (180deg=-0.569) USER MOD Single : A 16 ASN : amide:sc= 1.05 K(o=1,f=-0.0082) USER MOD Single : A 21 ASN :FLIP amide:sc= -0.459 F(o=-2.6!,f=-0.46) USER MOD Single : A 24 SER OG : rot 87:sc= 0.593 USER MOD Single : A 27 HIS : no HE2:sc= -3.48! C(o=-3.5!,f=-5.5!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 85:sc= 0.715 USER MOD Single : A 34 GLN : amide:sc= -1.44! C(o=-1.4!,f=-5.2!) USER MOD Single : A 39 LYS NZ :NH3+ -109:sc= -0.468! (180deg=-5.35!) USER MOD Single : A 47 LYS NZ :NH3+ -146:sc= 0.585 (180deg=-2.17!) USER MOD Single : A 49 HIS :FLIP no HD1:sc= -0.395 F(o=-0.96,f=-0.4) USER MOD Single : A 50 SER OG : rot 180:sc= 0.316 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 138:sc= -4.39! (180deg=-9.45!) USER MOD Single : A 70 GLN : amide:sc= -2.6! C(o=-2.6!,f=-2.6!) USER MOD Single : A 71 ASN : amide:sc= -3.77! C(o=-3.8!,f=-7.3!) USER MOD Single : A 74 GLN :FLIP amide:sc= -3.88 F(o=-6!,f=-3.9) USER MOD Single : A 75 TYR OH : rot -95:sc= 0.952 USER MOD ----------------------------------------------------------------- ATOM 144 N LYS A 11 -3.171 5.841 -11.961 1.00 2.47 N ATOM 145 CA LYS A 11 -3.594 4.430 -11.721 1.00 2.62 C ATOM 146 C LYS A 11 -3.548 4.115 -10.227 1.00 2.25 C ATOM 147 O LYS A 11 -2.927 4.825 -9.459 1.00 2.04 O ATOM 148 CB LYS A 11 -2.653 3.472 -12.475 1.00 2.57 C ATOM 149 CG LYS A 11 -2.917 3.524 -13.989 1.00 3.64 C ATOM 150 CD LYS A 11 -4.330 2.990 -14.291 1.00 5.71 C ATOM 151 CE LYS A 11 -4.470 2.689 -15.786 1.00 6.85 C ATOM 152 NZ LYS A 11 -3.564 1.566 -16.185 1.00 7.08 N ATOM 0 HA LYS A 11 -4.614 4.301 -12.083 1.00 2.62 H new ATOM 0 HB2 LYS A 11 -1.616 3.740 -12.273 1.00 2.57 H new ATOM 0 HB3 LYS A 11 -2.796 2.454 -12.111 1.00 2.57 H new ATOM 0 HG2 LYS A 11 -2.821 4.548 -14.349 1.00 3.64 H new ATOM 0 HG3 LYS A 11 -2.173 2.929 -14.518 1.00 3.64 H new ATOM 0 HD2 LYS A 11 -4.517 2.086 -13.711 1.00 5.71 H new ATOM 0 HD3 LYS A 11 -5.077 3.724 -13.988 1.00 5.71 H new ATOM 0 HE2 LYS A 11 -5.503 2.428 -16.015 1.00 6.85 H new ATOM 0 HE3 LYS A 11 -4.230 3.580 -16.366 1.00 6.85 H new ATOM 0 HZ1 LYS A 11 -4.120 0.818 -16.647 1.00 7.08 H new ATOM 0 HZ2 LYS A 11 -2.843 1.920 -16.846 1.00 7.08 H new ATOM 0 HZ3 LYS A 11 -3.098 1.179 -15.340 1.00 7.08 H new ATOM 166 N VAL A 12 -4.177 3.026 -9.867 1.00 2.43 N ATOM 167 CA VAL A 12 -4.222 2.591 -8.473 1.00 2.30 C ATOM 168 C VAL A 12 -3.438 1.290 -8.295 1.00 1.94 C ATOM 169 O VAL A 12 -3.475 0.414 -9.142 1.00 2.10 O ATOM 170 CB VAL A 12 -5.690 2.350 -8.137 1.00 2.93 C ATOM 171 CG1 VAL A 12 -6.388 3.677 -7.799 1.00 4.17 C ATOM 172 CG2 VAL A 12 -6.415 1.680 -9.314 1.00 2.43 C ATOM 0 H VAL A 12 -4.671 2.413 -10.516 1.00 2.43 H new ATOM 0 HA VAL A 12 -3.779 3.343 -7.820 1.00 2.30 H new ATOM 0 HB VAL A 12 -5.731 1.689 -7.271 1.00 2.93 H new ATOM 0 HG11 VAL A 12 -7.435 3.487 -7.562 1.00 4.17 H new ATOM 0 HG12 VAL A 12 -5.899 4.137 -6.940 1.00 4.17 H new ATOM 0 HG13 VAL A 12 -6.326 4.349 -8.655 1.00 4.17 H new ATOM 0 HG21 VAL A 12 -7.461 1.517 -9.052 1.00 2.43 H new ATOM 0 HG22 VAL A 12 -6.356 2.324 -10.192 1.00 2.43 H new ATOM 0 HG23 VAL A 12 -5.943 0.722 -9.534 1.00 2.43 H new ATOM 182 N PHE A 13 -2.755 1.193 -7.195 1.00 1.88 N ATOM 183 CA PHE A 13 -1.970 -0.039 -6.928 1.00 1.64 C ATOM 184 C PHE A 13 -2.622 -0.802 -5.790 1.00 1.43 C ATOM 185 O PHE A 13 -3.370 -0.252 -4.995 1.00 1.54 O ATOM 186 CB PHE A 13 -0.527 0.306 -6.540 1.00 1.78 C ATOM 187 CG PHE A 13 0.347 0.410 -7.798 1.00 1.06 C ATOM 188 CD1 PHE A 13 -0.023 1.210 -8.864 1.00 1.32 C ATOM 189 CD2 PHE A 13 1.540 -0.289 -7.870 1.00 1.34 C ATOM 190 CE1 PHE A 13 0.787 1.313 -9.976 1.00 1.69 C ATOM 191 CE2 PHE A 13 2.344 -0.190 -8.982 1.00 1.38 C ATOM 192 CZ PHE A 13 1.976 0.617 -10.032 1.00 1.54 C ATOM 0 H PHE A 13 -2.705 1.910 -6.471 1.00 1.88 H new ATOM 0 HA PHE A 13 -1.951 -0.646 -7.833 1.00 1.64 H new ATOM 0 HB2 PHE A 13 -0.505 1.249 -5.993 1.00 1.78 H new ATOM 0 HB3 PHE A 13 -0.129 -0.459 -5.873 1.00 1.78 H new ATOM 0 HD1 PHE A 13 -0.953 1.758 -8.826 1.00 1.32 H new ATOM 0 HD2 PHE A 13 1.842 -0.918 -7.046 1.00 1.34 H new ATOM 0 HE1 PHE A 13 0.489 1.940 -10.804 1.00 1.69 H new ATOM 0 HE2 PHE A 13 3.267 -0.748 -9.030 1.00 1.38 H new ATOM 0 HZ PHE A 13 2.616 0.706 -10.898 1.00 1.54 H new ATOM 202 N ARG A 14 -2.291 -2.058 -5.727 1.00 1.29 N ATOM 203 CA ARG A 14 -2.870 -2.921 -4.667 1.00 1.18 C ATOM 204 C ARG A 14 -1.768 -3.567 -3.835 1.00 1.18 C ATOM 205 O ARG A 14 -0.629 -3.686 -4.277 1.00 1.67 O ATOM 206 CB ARG A 14 -3.703 -4.020 -5.331 1.00 1.25 C ATOM 207 CG ARG A 14 -4.487 -4.826 -4.274 1.00 1.80 C ATOM 208 CD ARG A 14 -5.384 -5.853 -4.971 1.00 1.70 C ATOM 209 NE ARG A 14 -6.126 -5.175 -6.071 1.00 2.08 N ATOM 210 CZ ARG A 14 -5.898 -5.562 -7.280 1.00 2.82 C ATOM 211 NH1 ARG A 14 -4.668 -5.830 -7.588 1.00 4.00 N ATOM 212 NH2 ARG A 14 -6.886 -5.679 -8.111 1.00 3.71 N ATOM 0 H ARG A 14 -1.645 -2.524 -6.364 1.00 1.29 H new ATOM 0 HA ARG A 14 -3.490 -2.310 -4.011 1.00 1.18 H new ATOM 0 HB2 ARG A 14 -4.397 -3.576 -6.045 1.00 1.25 H new ATOM 0 HB3 ARG A 14 -3.051 -4.688 -5.894 1.00 1.25 H new ATOM 0 HG2 ARG A 14 -3.795 -5.331 -3.600 1.00 1.80 H new ATOM 0 HG3 ARG A 14 -5.092 -4.154 -3.665 1.00 1.80 H new ATOM 0 HD2 ARG A 14 -4.783 -6.670 -5.369 1.00 1.70 H new ATOM 0 HD3 ARG A 14 -6.083 -6.290 -4.257 1.00 1.70 H new ATOM 0 HE ARG A 14 -6.793 -4.429 -5.874 1.00 2.08 H new ATOM 0 HH11 ARG A 14 -3.934 -5.731 -6.887 1.00 4.00 H new ATOM 0 HH12 ARG A 14 -4.434 -6.140 -8.531 1.00 4.00 H new ATOM 0 HH21 ARG A 14 -7.836 -5.466 -7.807 1.00 3.71 H new ATOM 0 HH22 ARG A 14 -6.713 -5.985 -9.069 1.00 3.71 H new ATOM 226 N VAL A 15 -2.173 -3.965 -2.658 1.00 0.85 N ATOM 227 CA VAL A 15 -1.266 -4.642 -1.694 1.00 0.86 C ATOM 228 C VAL A 15 -2.072 -5.774 -1.043 1.00 0.78 C ATOM 229 O VAL A 15 -3.283 -5.652 -0.900 1.00 0.87 O ATOM 230 CB VAL A 15 -0.826 -3.651 -0.595 1.00 1.02 C ATOM 231 CG1 VAL A 15 0.564 -4.045 -0.084 1.00 1.37 C ATOM 232 CG2 VAL A 15 -0.774 -2.223 -1.152 1.00 1.26 C ATOM 0 H VAL A 15 -3.127 -3.843 -2.318 1.00 0.85 H new ATOM 0 HA VAL A 15 -0.378 -5.017 -2.203 1.00 0.86 H new ATOM 0 HB VAL A 15 -1.548 -3.686 0.221 1.00 1.02 H new ATOM 0 HG11 VAL A 15 0.878 -3.347 0.692 1.00 1.37 H new ATOM 0 HG12 VAL A 15 0.528 -5.054 0.328 1.00 1.37 H new ATOM 0 HG13 VAL A 15 1.277 -4.015 -0.908 1.00 1.37 H new ATOM 0 HG21 VAL A 15 -0.462 -1.537 -0.365 1.00 1.26 H new ATOM 0 HG22 VAL A 15 -0.061 -2.179 -1.975 1.00 1.26 H new ATOM 0 HG23 VAL A 15 -1.762 -1.937 -1.513 1.00 1.26 H new ATOM 242 N ASN A 16 -1.416 -6.825 -0.638 1.00 0.85 N ATOM 243 CA ASN A 16 -2.133 -7.954 0.021 1.00 0.81 C ATOM 244 C ASN A 16 -1.560 -8.115 1.420 1.00 0.83 C ATOM 245 O ASN A 16 -0.361 -8.042 1.575 1.00 1.27 O ATOM 246 CB ASN A 16 -1.871 -9.215 -0.784 1.00 0.86 C ATOM 247 CG ASN A 16 -2.473 -9.044 -2.172 1.00 1.58 C ATOM 248 OD1 ASN A 16 -3.563 -9.495 -2.466 1.00 1.94 O ATOM 249 ND2 ASN A 16 -1.802 -8.377 -3.064 1.00 3.11 N ATOM 0 H ASN A 16 -0.409 -6.952 -0.735 1.00 0.85 H new ATOM 0 HA ASN A 16 -3.206 -7.768 0.075 1.00 0.81 H new ATOM 0 HB2 ASN A 16 -0.799 -9.400 -0.857 1.00 0.86 H new ATOM 0 HB3 ASN A 16 -2.310 -10.079 -0.286 1.00 0.86 H new ATOM 0 HD21 ASN A 16 -2.191 -8.238 -3.996 1.00 3.11 H new ATOM 0 HD22 ASN A 16 -0.886 -7.993 -2.831 1.00 3.11 H new ATOM 256 N VAL A 17 -2.391 -8.359 2.389 1.00 0.87 N ATOM 257 CA VAL A 17 -1.907 -8.497 3.734 1.00 0.91 C ATOM 258 C VAL A 17 -1.889 -9.960 4.203 1.00 0.94 C ATOM 259 O VAL A 17 -2.919 -10.565 4.478 1.00 1.09 O ATOM 260 CB VAL A 17 -2.864 -7.613 4.512 1.00 0.93 C ATOM 261 CG1 VAL A 17 -2.721 -6.164 4.003 1.00 1.91 C ATOM 262 CG2 VAL A 17 -4.327 -8.049 4.369 1.00 2.77 C ATOM 0 H VAL A 17 -3.399 -8.466 2.278 1.00 0.87 H new ATOM 0 HA VAL A 17 -0.866 -8.199 3.863 1.00 0.91 H new ATOM 0 HB VAL A 17 -2.604 -7.695 5.567 1.00 0.93 H new ATOM 0 HG11 VAL A 17 -3.403 -5.516 4.553 1.00 1.91 H new ATOM 0 HG12 VAL A 17 -1.696 -5.824 4.155 1.00 1.91 H new ATOM 0 HG13 VAL A 17 -2.962 -6.126 2.941 1.00 1.91 H new ATOM 0 HG21 VAL A 17 -4.964 -7.380 4.947 1.00 2.77 H new ATOM 0 HG22 VAL A 17 -4.617 -8.010 3.319 1.00 2.77 H new ATOM 0 HG23 VAL A 17 -4.441 -9.068 4.739 1.00 2.77 H new ATOM 272 N GLU A 18 -0.705 -10.500 4.294 1.00 0.96 N ATOM 273 CA GLU A 18 -0.586 -11.904 4.749 1.00 1.04 C ATOM 274 C GLU A 18 -0.674 -11.908 6.267 1.00 0.98 C ATOM 275 O GLU A 18 -1.426 -12.671 6.841 1.00 1.06 O ATOM 276 CB GLU A 18 0.761 -12.461 4.294 1.00 1.23 C ATOM 277 CG GLU A 18 0.989 -12.170 2.802 1.00 1.64 C ATOM 278 CD GLU A 18 -0.174 -12.689 1.946 1.00 2.05 C ATOM 279 OE1 GLU A 18 -1.194 -12.017 1.929 1.00 2.97 O ATOM 280 OE2 GLU A 18 0.039 -13.718 1.332 1.00 2.84 O ATOM 0 H GLU A 18 0.174 -10.032 4.074 1.00 0.96 H new ATOM 0 HA GLU A 18 -1.379 -12.523 4.330 1.00 1.04 H new ATOM 0 HB2 GLU A 18 1.563 -12.016 4.884 1.00 1.23 H new ATOM 0 HB3 GLU A 18 0.794 -13.536 4.470 1.00 1.23 H new ATOM 0 HG2 GLU A 18 1.102 -11.096 2.652 1.00 1.64 H new ATOM 0 HG3 GLU A 18 1.919 -12.637 2.477 1.00 1.64 H new ATOM 287 N ASP A 19 0.088 -11.042 6.878 1.00 0.95 N ATOM 288 CA ASP A 19 0.049 -10.953 8.367 1.00 1.03 C ATOM 289 C ASP A 19 -0.128 -9.485 8.724 1.00 0.96 C ATOM 290 O ASP A 19 -1.157 -8.909 8.439 1.00 1.67 O ATOM 291 CB ASP A 19 1.330 -11.563 8.986 1.00 1.24 C ATOM 292 CG ASP A 19 2.569 -11.221 8.158 1.00 1.78 C ATOM 293 OD1 ASP A 19 2.721 -10.057 7.869 1.00 2.60 O ATOM 294 OD2 ASP A 19 3.312 -12.141 7.877 1.00 2.89 O ATOM 0 H ASP A 19 0.730 -10.398 6.417 1.00 0.95 H new ATOM 0 HA ASP A 19 -0.781 -11.529 8.776 1.00 1.03 H new ATOM 0 HB2 ASP A 19 1.457 -11.192 10.003 1.00 1.24 H new ATOM 0 HB3 ASP A 19 1.223 -12.646 9.053 1.00 1.24 H new ATOM 299 N GLU A 20 0.849 -8.917 9.352 1.00 0.87 N ATOM 300 CA GLU A 20 0.770 -7.497 9.711 1.00 0.95 C ATOM 301 C GLU A 20 1.959 -6.746 9.118 1.00 0.87 C ATOM 302 O GLU A 20 1.949 -5.534 9.045 1.00 0.81 O ATOM 303 CB GLU A 20 0.778 -7.428 11.217 1.00 1.18 C ATOM 304 CG GLU A 20 0.312 -6.052 11.654 1.00 2.37 C ATOM 305 CD GLU A 20 -1.221 -5.925 11.635 1.00 3.04 C ATOM 306 OE1 GLU A 20 -1.829 -6.371 10.677 1.00 3.73 O ATOM 307 OE2 GLU A 20 -1.720 -5.335 12.575 1.00 3.72 O ATOM 0 H GLU A 20 1.709 -9.387 9.634 1.00 0.87 H new ATOM 0 HA GLU A 20 -0.134 -7.033 9.317 1.00 0.95 H new ATOM 0 HB2 GLU A 20 0.125 -8.195 11.632 1.00 1.18 H new ATOM 0 HB3 GLU A 20 1.781 -7.624 11.597 1.00 1.18 H new ATOM 0 HG2 GLU A 20 0.679 -5.848 12.660 1.00 2.37 H new ATOM 0 HG3 GLU A 20 0.746 -5.298 10.997 1.00 2.37 H new ATOM 314 N ASN A 21 2.985 -7.470 8.774 1.00 0.93 N ATOM 315 CA ASN A 21 4.158 -6.868 8.172 1.00 0.91 C ATOM 316 C ASN A 21 3.715 -6.007 6.989 1.00 0.84 C ATOM 317 O ASN A 21 3.839 -4.802 7.014 1.00 0.89 O ATOM 318 CB ASN A 21 4.997 -8.045 7.722 1.00 0.97 C ATOM 319 CG ASN A 21 5.480 -8.865 8.919 1.00 2.44 C ATOM 320 OD1 ASN A 21 5.157 -10.121 9.008 1.00 2.96 O flip ATOM 321 ND2 ASN A 21 6.166 -8.378 9.790 1.00 4.28 N flip ATOM 0 H ASN A 21 3.041 -8.481 8.897 1.00 0.93 H new ATOM 0 HA ASN A 21 4.718 -6.220 8.846 1.00 0.91 H new ATOM 0 HB2 ASN A 21 4.412 -8.679 7.055 1.00 0.97 H new ATOM 0 HB3 ASN A 21 5.855 -7.688 7.152 1.00 0.97 H new ATOM 0 HD21 ASN A 21 6.431 -7.394 9.740 1.00 4.28 H new ATOM 0 HD22 ASN A 21 6.479 -8.951 10.573 1.00 4.28 H new ATOM 328 N ASP A 22 3.152 -6.654 6.000 1.00 0.82 N ATOM 329 CA ASP A 22 2.678 -5.903 4.804 1.00 0.84 C ATOM 330 C ASP A 22 1.910 -4.660 5.235 1.00 0.87 C ATOM 331 O ASP A 22 2.210 -3.568 4.810 1.00 0.96 O ATOM 332 CB ASP A 22 1.747 -6.791 3.966 1.00 0.90 C ATOM 333 CG ASP A 22 1.428 -6.044 2.657 1.00 2.07 C ATOM 334 OD1 ASP A 22 0.612 -5.129 2.751 1.00 3.27 O ATOM 335 OD2 ASP A 22 2.061 -6.373 1.647 1.00 2.84 O ATOM 0 H ASP A 22 3.002 -7.662 5.971 1.00 0.82 H new ATOM 0 HA ASP A 22 3.546 -5.611 4.213 1.00 0.84 H new ATOM 0 HB2 ASP A 22 2.223 -7.748 3.752 1.00 0.90 H new ATOM 0 HB3 ASP A 22 0.830 -7.007 4.515 1.00 0.90 H new ATOM 340 N ILE A 23 0.963 -4.865 6.098 1.00 0.91 N ATOM 341 CA ILE A 23 0.135 -3.717 6.572 1.00 1.01 C ATOM 342 C ILE A 23 0.986 -2.623 7.233 1.00 0.99 C ATOM 343 O ILE A 23 0.858 -1.459 6.906 1.00 1.11 O ATOM 344 CB ILE A 23 -0.904 -4.262 7.558 1.00 1.15 C ATOM 345 CG1 ILE A 23 -1.820 -5.216 6.774 1.00 1.30 C ATOM 346 CG2 ILE A 23 -1.730 -3.103 8.133 1.00 1.24 C ATOM 347 CD1 ILE A 23 -2.845 -5.879 7.696 1.00 1.46 C ATOM 0 H ILE A 23 0.722 -5.772 6.498 1.00 0.91 H new ATOM 0 HA ILE A 23 -0.353 -3.250 5.716 1.00 1.01 H new ATOM 0 HB ILE A 23 -0.420 -4.782 8.385 1.00 1.15 H new ATOM 0 HG12 ILE A 23 -2.336 -4.665 5.988 1.00 1.30 H new ATOM 0 HG13 ILE A 23 -1.218 -5.982 6.284 1.00 1.30 H new ATOM 0 HG21 ILE A 23 -2.468 -3.494 8.834 1.00 1.24 H new ATOM 0 HG22 ILE A 23 -1.070 -2.408 8.652 1.00 1.24 H new ATOM 0 HG23 ILE A 23 -2.240 -2.582 7.322 1.00 1.24 H new ATOM 0 HD11 ILE A 23 -3.479 -6.548 7.114 1.00 1.46 H new ATOM 0 HD12 ILE A 23 -2.326 -6.450 8.466 1.00 1.46 H new ATOM 0 HD13 ILE A 23 -3.461 -5.112 8.166 1.00 1.46 H new ATOM 359 N SER A 24 1.841 -3.020 8.125 1.00 0.95 N ATOM 360 CA SER A 24 2.700 -2.031 8.836 1.00 1.02 C ATOM 361 C SER A 24 3.620 -1.369 7.821 1.00 0.88 C ATOM 362 O SER A 24 3.635 -0.160 7.719 1.00 1.13 O ATOM 363 CB SER A 24 3.503 -2.767 9.910 1.00 1.10 C ATOM 364 OG SER A 24 2.492 -3.367 10.714 1.00 1.59 O ATOM 0 H SER A 24 1.986 -3.992 8.397 1.00 0.95 H new ATOM 0 HA SER A 24 2.098 -1.260 9.317 1.00 1.02 H new ATOM 0 HB2 SER A 24 4.168 -3.513 9.476 1.00 1.10 H new ATOM 0 HB3 SER A 24 4.125 -2.083 10.488 1.00 1.10 H new ATOM 0 HG SER A 24 2.252 -4.241 10.340 1.00 1.59 H new ATOM 370 N GLU A 25 4.382 -2.166 7.128 1.00 0.60 N ATOM 371 CA GLU A 25 5.285 -1.607 6.090 1.00 0.64 C ATOM 372 C GLU A 25 4.481 -0.656 5.185 1.00 0.72 C ATOM 373 O GLU A 25 4.786 0.516 5.084 1.00 0.78 O ATOM 374 CB GLU A 25 5.844 -2.777 5.272 1.00 0.75 C ATOM 375 CG GLU A 25 7.061 -3.434 5.974 1.00 1.05 C ATOM 376 CD GLU A 25 6.665 -4.228 7.230 1.00 2.36 C ATOM 377 OE1 GLU A 25 6.384 -3.579 8.228 1.00 3.83 O ATOM 378 OE2 GLU A 25 6.683 -5.445 7.123 1.00 3.09 O ATOM 0 H GLU A 25 4.418 -3.180 7.236 1.00 0.60 H new ATOM 0 HA GLU A 25 6.105 -1.048 6.542 1.00 0.64 H new ATOM 0 HB2 GLU A 25 5.063 -3.523 5.122 1.00 0.75 H new ATOM 0 HB3 GLU A 25 6.140 -2.423 4.285 1.00 0.75 H new ATOM 0 HG2 GLU A 25 7.564 -4.099 5.272 1.00 1.05 H new ATOM 0 HG3 GLU A 25 7.778 -2.660 6.249 1.00 1.05 H new ATOM 385 N LEU A 26 3.449 -1.183 4.578 1.00 0.86 N ATOM 386 CA LEU A 26 2.587 -0.367 3.681 1.00 1.04 C ATOM 387 C LEU A 26 2.128 0.917 4.391 1.00 1.06 C ATOM 388 O LEU A 26 2.229 1.990 3.830 1.00 1.20 O ATOM 389 CB LEU A 26 1.400 -1.261 3.286 1.00 1.21 C ATOM 390 CG LEU A 26 0.224 -0.441 2.767 1.00 0.85 C ATOM 391 CD1 LEU A 26 0.599 0.300 1.470 1.00 1.89 C ATOM 392 CD2 LEU A 26 -0.953 -1.393 2.514 1.00 1.72 C ATOM 0 H LEU A 26 3.166 -2.159 4.669 1.00 0.86 H new ATOM 0 HA LEU A 26 3.128 -0.043 2.792 1.00 1.04 H new ATOM 0 HB2 LEU A 26 1.717 -1.968 2.520 1.00 1.21 H new ATOM 0 HB3 LEU A 26 1.083 -1.847 4.149 1.00 1.21 H new ATOM 0 HG LEU A 26 -0.051 0.310 3.507 1.00 0.85 H new ATOM 0 HD11 LEU A 26 -0.257 0.877 1.120 1.00 1.89 H new ATOM 0 HD12 LEU A 26 1.435 0.972 1.664 1.00 1.89 H new ATOM 0 HD13 LEU A 26 0.884 -0.424 0.707 1.00 1.89 H new ATOM 0 HD21 LEU A 26 -1.806 -0.826 2.142 1.00 1.72 H new ATOM 0 HD22 LEU A 26 -0.664 -2.141 1.775 1.00 1.72 H new ATOM 0 HD23 LEU A 26 -1.226 -1.890 3.445 1.00 1.72 H new ATOM 404 N HIS A 27 1.621 0.779 5.597 1.00 1.04 N ATOM 405 CA HIS A 27 1.152 1.984 6.364 1.00 1.23 C ATOM 406 C HIS A 27 2.124 3.156 6.193 1.00 1.26 C ATOM 407 O HIS A 27 1.702 4.252 5.891 1.00 1.49 O ATOM 408 CB HIS A 27 1.033 1.657 7.869 1.00 1.25 C ATOM 409 CG HIS A 27 -0.353 1.189 8.335 1.00 1.33 C ATOM 410 ND1 HIS A 27 -0.876 1.637 9.451 1.00 1.47 N ATOM 411 CD2 HIS A 27 -1.241 0.272 7.833 1.00 1.97 C ATOM 412 CE1 HIS A 27 -2.029 1.034 9.651 1.00 1.72 C ATOM 413 NE2 HIS A 27 -2.242 0.202 8.662 1.00 1.93 N ATOM 0 H HIS A 27 1.512 -0.112 6.082 1.00 1.04 H new ATOM 0 HA HIS A 27 0.176 2.263 5.968 1.00 1.23 H new ATOM 0 HB2 HIS A 27 1.760 0.883 8.114 1.00 1.25 H new ATOM 0 HB3 HIS A 27 1.308 2.544 8.439 1.00 1.25 H new ATOM 0 HD1 HIS A 27 -0.458 2.338 10.063 1.00 1.47 H new ATOM 0 HD2 HIS A 27 -1.130 -0.289 6.917 1.00 1.97 H new ATOM 0 HE1 HIS A 27 -2.689 1.198 10.490 1.00 1.72 H new ATOM 421 N GLU A 28 3.392 2.886 6.408 1.00 1.11 N ATOM 422 CA GLU A 28 4.432 3.961 6.289 1.00 1.19 C ATOM 423 C GLU A 28 4.260 4.810 5.021 1.00 1.25 C ATOM 424 O GLU A 28 4.519 6.005 5.023 1.00 1.46 O ATOM 425 CB GLU A 28 5.827 3.323 6.289 1.00 1.09 C ATOM 426 CG GLU A 28 6.863 4.450 6.197 1.00 2.09 C ATOM 427 CD GLU A 28 8.270 3.888 6.341 1.00 2.86 C ATOM 428 OE1 GLU A 28 8.648 3.675 7.483 1.00 2.99 O ATOM 429 OE2 GLU A 28 8.882 3.702 5.302 1.00 4.27 O ATOM 0 H GLU A 28 3.752 1.966 6.661 1.00 1.11 H new ATOM 0 HA GLU A 28 4.312 4.625 7.145 1.00 1.19 H new ATOM 0 HB2 GLU A 28 5.979 2.739 7.197 1.00 1.09 H new ATOM 0 HB3 GLU A 28 5.933 2.638 5.448 1.00 1.09 H new ATOM 0 HG2 GLU A 28 6.766 4.965 5.241 1.00 2.09 H new ATOM 0 HG3 GLU A 28 6.677 5.188 6.977 1.00 2.09 H new ATOM 436 N LEU A 29 3.895 4.173 3.947 1.00 1.17 N ATOM 437 CA LEU A 29 3.704 4.937 2.685 1.00 1.24 C ATOM 438 C LEU A 29 2.777 6.139 2.949 1.00 1.36 C ATOM 439 O LEU A 29 2.996 7.222 2.439 1.00 1.74 O ATOM 440 CB LEU A 29 3.124 3.984 1.621 1.00 1.29 C ATOM 441 CG LEU A 29 2.950 4.703 0.267 1.00 1.49 C ATOM 442 CD1 LEU A 29 4.278 5.333 -0.181 1.00 1.63 C ATOM 443 CD2 LEU A 29 2.521 3.683 -0.794 1.00 2.23 C ATOM 0 H LEU A 29 3.722 3.170 3.887 1.00 1.17 H new ATOM 0 HA LEU A 29 4.652 5.329 2.317 1.00 1.24 H new ATOM 0 HB2 LEU A 29 3.785 3.126 1.498 1.00 1.29 H new ATOM 0 HB3 LEU A 29 2.161 3.600 1.959 1.00 1.29 H new ATOM 0 HG LEU A 29 2.197 5.482 0.382 1.00 1.49 H new ATOM 0 HD11 LEU A 29 4.138 5.836 -1.138 1.00 1.63 H new ATOM 0 HD12 LEU A 29 4.607 6.057 0.565 1.00 1.63 H new ATOM 0 HD13 LEU A 29 5.033 4.554 -0.288 1.00 1.63 H new ATOM 0 HD21 LEU A 29 2.397 4.186 -1.753 1.00 2.23 H new ATOM 0 HD22 LEU A 29 3.284 2.911 -0.886 1.00 2.23 H new ATOM 0 HD23 LEU A 29 1.576 3.226 -0.499 1.00 2.23 H new ATOM 455 N ALA A 30 1.791 5.926 3.784 1.00 1.25 N ATOM 456 CA ALA A 30 0.828 7.025 4.121 1.00 1.50 C ATOM 457 C ALA A 30 1.528 8.172 4.864 1.00 1.55 C ATOM 458 O ALA A 30 0.998 9.266 4.942 1.00 1.72 O ATOM 459 CB ALA A 30 -0.290 6.465 5.009 1.00 1.69 C ATOM 0 H ALA A 30 1.609 5.037 4.249 1.00 1.25 H new ATOM 0 HA ALA A 30 0.418 7.415 3.190 1.00 1.50 H new ATOM 0 HB1 ALA A 30 -0.992 7.261 5.256 1.00 1.69 H new ATOM 0 HB2 ALA A 30 -0.814 5.671 4.477 1.00 1.69 H new ATOM 0 HB3 ALA A 30 0.141 6.064 5.926 1.00 1.69 H new ATOM 465 N SER A 31 2.685 7.891 5.400 1.00 1.79 N ATOM 466 CA SER A 31 3.446 8.943 6.143 1.00 2.08 C ATOM 467 C SER A 31 4.666 9.374 5.333 1.00 2.35 C ATOM 468 O SER A 31 5.503 10.124 5.809 1.00 3.16 O ATOM 469 CB SER A 31 3.932 8.363 7.472 1.00 2.23 C ATOM 470 OG SER A 31 2.752 7.881 8.104 1.00 2.45 O ATOM 0 H SER A 31 3.138 6.978 5.357 1.00 1.79 H new ATOM 0 HA SER A 31 2.794 9.800 6.313 1.00 2.08 H new ATOM 0 HB2 SER A 31 4.654 7.561 7.315 1.00 2.23 H new ATOM 0 HB3 SER A 31 4.426 9.122 8.079 1.00 2.23 H new ATOM 0 HG SER A 31 2.983 7.488 8.971 1.00 2.45 H new ATOM 476 N THR A 32 4.716 8.909 4.123 1.00 2.05 N ATOM 477 CA THR A 32 5.862 9.246 3.245 1.00 2.59 C ATOM 478 C THR A 32 5.351 9.899 1.966 1.00 2.58 C ATOM 479 O THR A 32 5.780 10.977 1.605 1.00 2.86 O ATOM 480 CB THR A 32 6.604 7.940 2.945 1.00 2.85 C ATOM 481 OG1 THR A 32 6.922 7.429 4.231 1.00 2.95 O ATOM 482 CG2 THR A 32 7.965 8.187 2.288 1.00 3.64 C ATOM 0 H THR A 32 4.009 8.307 3.702 1.00 2.05 H new ATOM 0 HA THR A 32 6.539 9.953 3.725 1.00 2.59 H new ATOM 0 HB THR A 32 5.997 7.309 2.296 1.00 2.85 H new ATOM 0 HG1 THR A 32 6.162 6.914 4.576 1.00 2.95 H new ATOM 0 HG21 THR A 32 8.454 7.232 2.094 1.00 3.64 H new ATOM 0 HG22 THR A 32 7.824 8.720 1.348 1.00 3.64 H new ATOM 0 HG23 THR A 32 8.587 8.785 2.954 1.00 3.64 H new ATOM 490 N ARG A 33 4.459 9.223 1.294 1.00 2.73 N ATOM 491 CA ARG A 33 3.896 9.786 0.035 1.00 3.03 C ATOM 492 C ARG A 33 2.371 9.790 0.094 1.00 1.77 C ATOM 493 O ARG A 33 1.722 9.418 -0.860 1.00 2.70 O ATOM 494 CB ARG A 33 4.382 8.957 -1.162 1.00 4.71 C ATOM 495 CG ARG A 33 5.835 9.336 -1.467 1.00 6.23 C ATOM 496 CD ARG A 33 6.223 8.808 -2.850 1.00 7.90 C ATOM 497 NE ARG A 33 7.547 9.386 -3.210 1.00 9.27 N ATOM 498 CZ ARG A 33 8.240 8.849 -4.161 1.00 10.45 C ATOM 499 NH1 ARG A 33 8.893 7.762 -3.913 1.00 11.18 N ATOM 500 NH2 ARG A 33 8.234 9.430 -5.318 1.00 11.14 N ATOM 0 H ARG A 33 4.097 8.308 1.562 1.00 2.73 H new ATOM 0 HA ARG A 33 4.238 10.814 -0.082 1.00 3.03 H new ATOM 0 HB2 ARG A 33 4.308 7.893 -0.939 1.00 4.71 H new ATOM 0 HB3 ARG A 33 3.752 9.145 -2.032 1.00 4.71 H new ATOM 0 HG2 ARG A 33 5.954 10.419 -1.433 1.00 6.23 H new ATOM 0 HG3 ARG A 33 6.497 8.919 -0.708 1.00 6.23 H new ATOM 0 HD2 ARG A 33 6.272 7.719 -2.842 1.00 7.90 H new ATOM 0 HD3 ARG A 33 5.472 9.087 -3.589 1.00 7.90 H new ATOM 0 HE ARG A 33 7.905 10.200 -2.710 1.00 9.27 H new ATOM 0 HH11 ARG A 33 8.855 7.345 -2.983 1.00 11.18 H new ATOM 0 HH12 ARG A 33 9.446 7.321 -4.647 1.00 11.18 H new ATOM 0 HH21 ARG A 33 7.694 10.284 -5.457 1.00 11.14 H new ATOM 0 HH22 ARG A 33 8.769 9.034 -6.090 1.00 11.14 H new ATOM 514 N GLN A 34 1.875 10.202 1.237 1.00 1.73 N ATOM 515 CA GLN A 34 0.399 10.306 1.500 1.00 2.71 C ATOM 516 C GLN A 34 -0.451 9.854 0.302 1.00 2.41 C ATOM 517 O GLN A 34 -0.703 10.597 -0.636 1.00 2.58 O ATOM 518 CB GLN A 34 0.066 11.762 1.863 1.00 4.12 C ATOM 519 CG GLN A 34 0.645 12.115 3.253 1.00 5.04 C ATOM 520 CD GLN A 34 2.179 12.133 3.222 1.00 5.60 C ATOM 521 OE1 GLN A 34 2.834 11.167 3.559 1.00 6.38 O ATOM 522 NE2 GLN A 34 2.793 13.192 2.800 1.00 5.93 N ATOM 0 H GLN A 34 2.454 10.481 2.029 1.00 1.73 H new ATOM 0 HA GLN A 34 0.155 9.636 2.324 1.00 2.71 H new ATOM 0 HB2 GLN A 34 0.476 12.435 1.109 1.00 4.12 H new ATOM 0 HB3 GLN A 34 -1.015 11.905 1.865 1.00 4.12 H new ATOM 0 HG2 GLN A 34 0.273 13.090 3.569 1.00 5.04 H new ATOM 0 HG3 GLN A 34 0.301 11.388 3.989 1.00 5.04 H new ATOM 0 HE21 GLN A 34 2.258 14.012 2.513 1.00 5.93 H new ATOM 0 HE22 GLN A 34 3.812 13.207 2.754 1.00 5.93 H new ATOM 531 N ILE A 35 -0.874 8.628 0.383 1.00 2.10 N ATOM 532 CA ILE A 35 -1.701 8.025 -0.703 1.00 1.83 C ATOM 533 C ILE A 35 -3.152 7.917 -0.248 1.00 1.73 C ATOM 534 O ILE A 35 -3.410 7.872 0.934 1.00 2.05 O ATOM 535 CB ILE A 35 -1.179 6.605 -0.971 1.00 1.73 C ATOM 536 CG1 ILE A 35 -0.968 5.887 0.383 1.00 2.02 C ATOM 537 CG2 ILE A 35 0.153 6.682 -1.727 1.00 1.86 C ATOM 538 CD1 ILE A 35 -0.967 4.368 0.194 1.00 2.07 C ATOM 0 H ILE A 35 -0.681 8.005 1.167 1.00 2.10 H new ATOM 0 HA ILE A 35 -1.640 8.645 -1.597 1.00 1.83 H new ATOM 0 HB ILE A 35 -1.900 6.052 -1.574 1.00 1.73 H new ATOM 0 HG12 ILE A 35 -0.024 6.204 0.826 1.00 2.02 H new ATOM 0 HG13 ILE A 35 -1.758 6.172 1.078 1.00 2.02 H new ATOM 0 HG21 ILE A 35 0.523 5.674 -1.917 1.00 1.86 H new ATOM 0 HG22 ILE A 35 0.004 7.198 -2.675 1.00 1.86 H new ATOM 0 HG23 ILE A 35 0.881 7.228 -1.127 1.00 1.86 H new ATOM 0 HD11 ILE A 35 -0.817 3.882 1.158 1.00 2.07 H new ATOM 0 HD12 ILE A 35 -1.922 4.053 -0.227 1.00 2.07 H new ATOM 0 HD13 ILE A 35 -0.161 4.086 -0.484 1.00 2.07 H new ATOM 550 N ASP A 36 -4.061 7.838 -1.170 1.00 1.54 N ATOM 551 CA ASP A 36 -5.486 7.705 -0.770 1.00 1.53 C ATOM 552 C ASP A 36 -5.896 6.251 -0.997 1.00 1.29 C ATOM 553 O ASP A 36 -5.288 5.556 -1.806 1.00 1.24 O ATOM 554 CB ASP A 36 -6.341 8.623 -1.640 1.00 1.72 C ATOM 555 CG ASP A 36 -6.050 8.287 -3.091 1.00 1.94 C ATOM 556 OD1 ASP A 36 -5.080 8.838 -3.583 1.00 2.76 O ATOM 557 OD2 ASP A 36 -6.790 7.482 -3.620 1.00 3.04 O ATOM 0 H ASP A 36 -3.885 7.859 -2.174 1.00 1.54 H new ATOM 0 HA ASP A 36 -5.624 7.981 0.275 1.00 1.53 H new ATOM 0 HB2 ASP A 36 -7.399 8.482 -1.420 1.00 1.72 H new ATOM 0 HB3 ASP A 36 -6.109 9.668 -1.436 1.00 1.72 H new ATOM 562 N PHE A 37 -6.928 5.839 -0.313 1.00 1.31 N ATOM 563 CA PHE A 37 -7.398 4.435 -0.451 1.00 1.17 C ATOM 564 C PHE A 37 -8.713 4.398 -1.224 1.00 1.08 C ATOM 565 O PHE A 37 -9.432 5.379 -1.299 1.00 1.40 O ATOM 566 CB PHE A 37 -7.599 3.841 0.952 1.00 1.41 C ATOM 567 CG PHE A 37 -6.257 3.843 1.699 1.00 1.44 C ATOM 568 CD1 PHE A 37 -5.388 2.778 1.571 1.00 1.44 C ATOM 569 CD2 PHE A 37 -5.884 4.921 2.484 1.00 1.96 C ATOM 570 CE1 PHE A 37 -4.168 2.787 2.215 1.00 1.64 C ATOM 571 CE2 PHE A 37 -4.660 4.936 3.125 1.00 2.15 C ATOM 572 CZ PHE A 37 -3.800 3.867 2.993 1.00 1.87 C ATOM 0 H PHE A 37 -7.465 6.415 0.335 1.00 1.31 H new ATOM 0 HA PHE A 37 -6.657 3.851 -0.997 1.00 1.17 H new ATOM 0 HB2 PHE A 37 -8.337 4.423 1.504 1.00 1.41 H new ATOM 0 HB3 PHE A 37 -7.986 2.825 0.878 1.00 1.41 H new ATOM 0 HD1 PHE A 37 -5.666 1.931 0.962 1.00 1.44 H new ATOM 0 HD2 PHE A 37 -6.557 5.759 2.596 1.00 1.96 H new ATOM 0 HE1 PHE A 37 -3.498 1.946 2.110 1.00 1.64 H new ATOM 0 HE2 PHE A 37 -4.377 5.785 3.729 1.00 2.15 H new ATOM 0 HZ PHE A 37 -2.844 3.874 3.495 1.00 1.87 H new ATOM 582 N TRP A 38 -8.970 3.255 -1.789 1.00 0.95 N ATOM 583 CA TRP A 38 -10.207 3.048 -2.585 1.00 0.99 C ATOM 584 C TRP A 38 -10.989 1.922 -1.907 1.00 1.01 C ATOM 585 O TRP A 38 -12.169 2.047 -1.639 1.00 1.27 O ATOM 586 CB TRP A 38 -9.779 2.703 -4.022 1.00 0.99 C ATOM 587 CG TRP A 38 -8.946 3.810 -4.705 1.00 2.03 C ATOM 588 CD1 TRP A 38 -7.835 4.414 -4.183 1.00 3.91 C ATOM 589 CD2 TRP A 38 -9.159 4.490 -5.888 1.00 2.50 C ATOM 590 NE1 TRP A 38 -7.423 5.365 -4.954 1.00 5.07 N ATOM 591 CE2 TRP A 38 -8.180 5.468 -6.015 1.00 4.26 C ATOM 592 CE3 TRP A 38 -10.126 4.331 -6.861 1.00 2.51 C ATOM 593 CZ2 TRP A 38 -8.146 6.302 -7.100 1.00 5.15 C ATOM 594 CZ3 TRP A 38 -10.079 5.183 -7.960 1.00 3.55 C ATOM 595 CH2 TRP A 38 -9.100 6.158 -8.079 1.00 4.56 C ATOM 0 H TRP A 38 -8.361 2.438 -1.731 1.00 0.95 H new ATOM 0 HA TRP A 38 -10.849 3.927 -2.633 1.00 0.99 H new ATOM 0 HB2 TRP A 38 -9.198 1.781 -4.007 1.00 0.99 H new ATOM 0 HB3 TRP A 38 -10.669 2.509 -4.620 1.00 0.99 H new ATOM 0 HD1 TRP A 38 -7.366 4.133 -3.252 1.00 3.91 H new ATOM 0 HE1 TRP A 38 -6.615 5.957 -4.761 1.00 5.07 H new ATOM 0 HE3 TRP A 38 -10.890 3.573 -6.772 1.00 2.51 H new ATOM 0 HZ2 TRP A 38 -7.382 7.061 -7.185 1.00 5.15 H new ATOM 0 HZ3 TRP A 38 -10.822 5.083 -8.738 1.00 3.55 H new ATOM 0 HH2 TRP A 38 -9.087 6.806 -8.943 1.00 4.56 H new ATOM 606 N LYS A 39 -10.311 0.838 -1.648 1.00 0.88 N ATOM 607 CA LYS A 39 -10.967 -0.311 -0.939 1.00 0.97 C ATOM 608 C LYS A 39 -9.908 -1.025 -0.074 1.00 0.92 C ATOM 609 O LYS A 39 -8.810 -1.237 -0.532 1.00 0.96 O ATOM 610 CB LYS A 39 -11.570 -1.286 -1.961 1.00 1.14 C ATOM 611 CG LYS A 39 -13.008 -1.641 -1.530 1.00 2.40 C ATOM 612 CD LYS A 39 -13.990 -0.503 -1.904 1.00 3.48 C ATOM 613 CE LYS A 39 -14.754 0.017 -0.667 1.00 5.82 C ATOM 614 NZ LYS A 39 -13.962 1.041 0.078 1.00 6.92 N ATOM 0 H LYS A 39 -9.332 0.693 -1.894 1.00 0.88 H new ATOM 0 HA LYS A 39 -11.773 0.055 -0.303 1.00 0.97 H new ATOM 0 HB2 LYS A 39 -11.575 -0.835 -2.953 1.00 1.14 H new ATOM 0 HB3 LYS A 39 -10.962 -2.189 -2.024 1.00 1.14 H new ATOM 0 HG2 LYS A 39 -13.318 -2.568 -2.011 1.00 2.40 H new ATOM 0 HG3 LYS A 39 -13.038 -1.815 -0.454 1.00 2.40 H new ATOM 0 HD2 LYS A 39 -13.439 0.318 -2.364 1.00 3.48 H new ATOM 0 HD3 LYS A 39 -14.701 -0.865 -2.646 1.00 3.48 H new ATOM 0 HE2 LYS A 39 -15.704 0.449 -0.981 1.00 5.82 H new ATOM 0 HE3 LYS A 39 -14.986 -0.817 -0.005 1.00 5.82 H new ATOM 0 HZ1 LYS A 39 -13.635 0.638 0.979 1.00 6.92 H new ATOM 0 HZ2 LYS A 39 -13.141 1.327 -0.492 1.00 6.92 H new ATOM 0 HZ3 LYS A 39 -14.559 1.872 0.266 1.00 6.92 H new ATOM 628 N PRO A 40 -10.219 -1.356 1.167 1.00 1.07 N ATOM 629 CA PRO A 40 -11.221 -0.659 2.015 1.00 1.30 C ATOM 630 C PRO A 40 -11.120 0.878 1.950 1.00 1.53 C ATOM 631 O PRO A 40 -10.538 1.435 1.038 1.00 2.27 O ATOM 632 CB PRO A 40 -10.956 -1.194 3.434 1.00 1.76 C ATOM 633 CG PRO A 40 -9.655 -2.026 3.358 1.00 1.77 C ATOM 634 CD PRO A 40 -9.495 -2.427 1.888 1.00 1.38 C ATOM 0 HA PRO A 40 -12.236 -0.860 1.671 1.00 1.30 H new ATOM 0 HB2 PRO A 40 -10.850 -0.373 4.144 1.00 1.76 H new ATOM 0 HB3 PRO A 40 -11.789 -1.808 3.778 1.00 1.76 H new ATOM 0 HG2 PRO A 40 -8.799 -1.444 3.699 1.00 1.77 H new ATOM 0 HG3 PRO A 40 -9.717 -2.906 3.998 1.00 1.77 H new ATOM 0 HD2 PRO A 40 -8.446 -2.473 1.595 1.00 1.38 H new ATOM 0 HD3 PRO A 40 -9.925 -3.409 1.689 1.00 1.38 H new ATOM 642 N ASP A 41 -11.670 1.527 2.940 1.00 1.75 N ATOM 643 CA ASP A 41 -11.665 3.018 2.953 1.00 2.35 C ATOM 644 C ASP A 41 -10.697 3.556 4.002 1.00 2.02 C ATOM 645 O ASP A 41 -9.796 4.311 3.687 1.00 2.20 O ATOM 646 CB ASP A 41 -13.093 3.479 3.265 1.00 3.47 C ATOM 647 CG ASP A 41 -14.069 2.701 2.374 1.00 4.70 C ATOM 648 OD1 ASP A 41 -14.288 1.535 2.679 1.00 5.22 O ATOM 649 OD2 ASP A 41 -14.490 3.275 1.391 1.00 5.91 O ATOM 0 H ASP A 41 -12.123 1.088 3.742 1.00 1.75 H new ATOM 0 HA ASP A 41 -11.336 3.398 1.986 1.00 2.35 H new ATOM 0 HB2 ASP A 41 -13.324 3.308 4.317 1.00 3.47 H new ATOM 0 HB3 ASP A 41 -13.191 4.550 3.087 1.00 3.47 H new ATOM 654 N SER A 42 -10.908 3.174 5.228 1.00 2.19 N ATOM 655 CA SER A 42 -10.002 3.650 6.303 1.00 2.26 C ATOM 656 C SER A 42 -9.081 2.496 6.684 1.00 2.25 C ATOM 657 O SER A 42 -9.554 1.466 7.139 1.00 2.95 O ATOM 658 CB SER A 42 -10.827 4.121 7.519 1.00 2.62 C ATOM 659 OG SER A 42 -11.484 2.960 8.016 1.00 3.78 O ATOM 0 H SER A 42 -11.663 2.558 5.530 1.00 2.19 H new ATOM 0 HA SER A 42 -9.409 4.497 5.959 1.00 2.26 H new ATOM 0 HB2 SER A 42 -10.184 4.562 8.280 1.00 2.62 H new ATOM 0 HB3 SER A 42 -11.549 4.885 7.230 1.00 2.62 H new ATOM 0 HG SER A 42 -10.882 2.477 8.620 1.00 3.78 H new ATOM 665 N VAL A 43 -7.814 2.671 6.382 1.00 1.80 N ATOM 666 CA VAL A 43 -6.759 1.647 6.694 1.00 1.77 C ATOM 667 C VAL A 43 -7.148 0.786 7.910 1.00 2.22 C ATOM 668 O VAL A 43 -6.894 -0.400 7.963 1.00 2.90 O ATOM 669 CB VAL A 43 -5.442 2.412 6.938 1.00 1.97 C ATOM 670 CG1 VAL A 43 -5.589 3.362 8.137 1.00 2.80 C ATOM 671 CG2 VAL A 43 -4.298 1.428 7.205 1.00 2.18 C ATOM 0 H VAL A 43 -7.456 3.506 5.918 1.00 1.80 H new ATOM 0 HA VAL A 43 -6.646 0.952 5.862 1.00 1.77 H new ATOM 0 HB VAL A 43 -5.215 2.995 6.045 1.00 1.97 H new ATOM 0 HG11 VAL A 43 -4.651 3.895 8.296 1.00 2.80 H new ATOM 0 HG12 VAL A 43 -6.385 4.080 7.937 1.00 2.80 H new ATOM 0 HG13 VAL A 43 -5.836 2.786 9.029 1.00 2.80 H new ATOM 0 HG21 VAL A 43 -3.374 1.981 7.376 1.00 2.18 H new ATOM 0 HG22 VAL A 43 -4.531 0.830 8.086 1.00 2.18 H new ATOM 0 HG23 VAL A 43 -4.174 0.772 6.344 1.00 2.18 H new ATOM 681 N THR A 44 -7.714 1.444 8.872 1.00 2.10 N ATOM 682 CA THR A 44 -8.179 0.775 10.108 1.00 2.62 C ATOM 683 C THR A 44 -8.755 -0.624 9.828 1.00 2.66 C ATOM 684 O THR A 44 -8.407 -1.565 10.512 1.00 3.01 O ATOM 685 CB THR A 44 -9.224 1.688 10.766 1.00 3.14 C ATOM 686 OG1 THR A 44 -9.499 2.719 9.807 1.00 2.40 O ATOM 687 CG2 THR A 44 -8.605 2.440 11.949 1.00 3.83 C ATOM 0 H THR A 44 -7.879 2.450 8.852 1.00 2.10 H new ATOM 0 HA THR A 44 -7.334 0.619 10.779 1.00 2.62 H new ATOM 0 HB THR A 44 -10.084 1.096 11.079 1.00 3.14 H new ATOM 0 HG1 THR A 44 -10.166 3.337 10.173 1.00 2.40 H new ATOM 0 HG21 THR A 44 -9.358 3.083 12.405 1.00 3.83 H new ATOM 0 HG22 THR A 44 -8.244 1.724 12.687 1.00 3.83 H new ATOM 0 HG23 THR A 44 -7.772 3.049 11.597 1.00 3.83 H new ATOM 695 N GLN A 45 -9.567 -0.771 8.804 1.00 2.63 N ATOM 696 CA GLN A 45 -10.128 -2.138 8.545 1.00 2.95 C ATOM 697 C GLN A 45 -9.171 -2.974 7.668 1.00 2.36 C ATOM 698 O GLN A 45 -9.573 -3.576 6.681 1.00 2.81 O ATOM 699 CB GLN A 45 -11.510 -2.041 7.866 1.00 3.67 C ATOM 700 CG GLN A 45 -11.443 -1.216 6.566 1.00 4.93 C ATOM 701 CD GLN A 45 -12.077 0.173 6.727 1.00 4.86 C ATOM 702 OE1 GLN A 45 -12.250 0.887 5.758 1.00 6.29 O ATOM 703 NE2 GLN A 45 -12.420 0.616 7.907 1.00 4.09 N ATOM 0 H GLN A 45 -9.857 -0.035 8.160 1.00 2.63 H new ATOM 0 HA GLN A 45 -10.241 -2.637 9.508 1.00 2.95 H new ATOM 0 HB2 GLN A 45 -11.879 -3.042 7.644 1.00 3.67 H new ATOM 0 HB3 GLN A 45 -12.223 -1.584 8.552 1.00 3.67 H new ATOM 0 HG2 GLN A 45 -10.402 -1.105 6.261 1.00 4.93 H new ATOM 0 HG3 GLN A 45 -11.953 -1.756 5.768 1.00 4.93 H new ATOM 0 HE21 GLN A 45 -12.282 0.031 8.731 1.00 4.09 H new ATOM 0 HE22 GLN A 45 -12.826 1.547 8.004 1.00 4.09 H new ATOM 712 N ILE A 46 -7.920 -2.993 8.053 1.00 1.70 N ATOM 713 CA ILE A 46 -6.912 -3.796 7.285 1.00 1.25 C ATOM 714 C ILE A 46 -6.112 -4.687 8.248 1.00 1.04 C ATOM 715 O ILE A 46 -5.332 -4.203 9.056 1.00 1.16 O ATOM 716 CB ILE A 46 -5.961 -2.861 6.513 1.00 0.95 C ATOM 717 CG1 ILE A 46 -6.783 -2.094 5.460 1.00 1.31 C ATOM 718 CG2 ILE A 46 -4.873 -3.694 5.816 1.00 1.08 C ATOM 719 CD1 ILE A 46 -5.885 -1.142 4.661 1.00 2.07 C ATOM 0 H ILE A 46 -7.552 -2.491 8.861 1.00 1.70 H new ATOM 0 HA ILE A 46 -7.436 -4.428 6.568 1.00 1.25 H new ATOM 0 HB ILE A 46 -5.484 -2.160 7.198 1.00 0.95 H new ATOM 0 HG12 ILE A 46 -7.266 -2.799 4.784 1.00 1.31 H new ATOM 0 HG13 ILE A 46 -7.575 -1.529 5.951 1.00 1.31 H new ATOM 0 HG21 ILE A 46 -4.201 -3.031 5.270 1.00 1.08 H new ATOM 0 HG22 ILE A 46 -4.307 -4.250 6.563 1.00 1.08 H new ATOM 0 HG23 ILE A 46 -5.339 -4.392 5.120 1.00 1.08 H new ATOM 0 HD11 ILE A 46 -6.485 -0.610 3.923 1.00 2.07 H new ATOM 0 HD12 ILE A 46 -5.422 -0.424 5.338 1.00 2.07 H new ATOM 0 HD13 ILE A 46 -5.109 -1.714 4.153 1.00 2.07 H new ATOM 731 N LYS A 47 -6.374 -5.963 8.173 1.00 1.03 N ATOM 732 CA LYS A 47 -5.671 -6.966 9.029 1.00 1.07 C ATOM 733 C LYS A 47 -5.280 -8.146 8.124 1.00 0.94 C ATOM 734 O LYS A 47 -5.671 -8.164 6.972 1.00 1.14 O ATOM 735 CB LYS A 47 -6.638 -7.393 10.144 1.00 1.58 C ATOM 736 CG LYS A 47 -6.683 -6.295 11.220 1.00 2.95 C ATOM 737 CD LYS A 47 -5.399 -6.322 12.082 1.00 4.45 C ATOM 738 CE LYS A 47 -4.798 -4.913 12.178 1.00 6.01 C ATOM 739 NZ LYS A 47 -3.802 -4.683 11.094 1.00 6.72 N ATOM 0 H LYS A 47 -7.064 -6.364 7.538 1.00 1.03 H new ATOM 0 HA LYS A 47 -4.769 -6.567 9.494 1.00 1.07 H new ATOM 0 HB2 LYS A 47 -7.634 -7.559 9.734 1.00 1.58 H new ATOM 0 HB3 LYS A 47 -6.313 -8.336 10.583 1.00 1.58 H new ATOM 0 HG2 LYS A 47 -6.789 -5.319 10.747 1.00 2.95 H new ATOM 0 HG3 LYS A 47 -7.557 -6.437 11.856 1.00 2.95 H new ATOM 0 HD2 LYS A 47 -5.629 -6.696 13.080 1.00 4.45 H new ATOM 0 HD3 LYS A 47 -4.672 -7.007 11.645 1.00 4.45 H new ATOM 0 HE2 LYS A 47 -5.592 -4.170 12.111 1.00 6.01 H new ATOM 0 HE3 LYS A 47 -4.321 -4.783 13.149 1.00 6.01 H new ATOM 0 HZ1 LYS A 47 -3.040 -4.070 11.447 1.00 6.72 H new ATOM 0 HZ2 LYS A 47 -3.402 -5.594 10.791 1.00 6.72 H new ATOM 0 HZ3 LYS A 47 -4.268 -4.224 10.286 1.00 6.72 H new ATOM 753 N PRO A 48 -4.478 -9.073 8.614 1.00 0.93 N ATOM 754 CA PRO A 48 -4.156 -10.304 7.858 1.00 0.99 C ATOM 755 C PRO A 48 -5.357 -10.902 7.112 1.00 1.08 C ATOM 756 O PRO A 48 -6.472 -10.884 7.607 1.00 1.34 O ATOM 757 CB PRO A 48 -3.664 -11.284 8.922 1.00 1.10 C ATOM 758 CG PRO A 48 -3.248 -10.438 10.148 1.00 1.10 C ATOM 759 CD PRO A 48 -3.813 -9.018 9.943 1.00 1.14 C ATOM 0 HA PRO A 48 -3.424 -10.089 7.079 1.00 0.99 H new ATOM 0 HB2 PRO A 48 -4.449 -11.992 9.189 1.00 1.10 H new ATOM 0 HB3 PRO A 48 -2.821 -11.867 8.551 1.00 1.10 H new ATOM 0 HG2 PRO A 48 -3.637 -10.877 11.067 1.00 1.10 H new ATOM 0 HG3 PRO A 48 -2.163 -10.409 10.244 1.00 1.10 H new ATOM 0 HD2 PRO A 48 -4.519 -8.754 10.730 1.00 1.14 H new ATOM 0 HD3 PRO A 48 -3.021 -8.269 9.961 1.00 1.14 H new ATOM 767 N HIS A 49 -5.079 -11.434 5.944 1.00 1.10 N ATOM 768 CA HIS A 49 -6.126 -12.105 5.101 1.00 1.39 C ATOM 769 C HIS A 49 -7.100 -11.107 4.462 1.00 1.26 C ATOM 770 O HIS A 49 -8.303 -11.277 4.530 1.00 1.47 O ATOM 771 CB HIS A 49 -6.903 -13.113 5.971 1.00 1.68 C ATOM 772 CG HIS A 49 -6.002 -13.982 6.858 1.00 1.49 C ATOM 773 ND1 HIS A 49 -4.640 -14.153 6.913 1.00 2.77 N flip ATOM 774 CD2 HIS A 49 -6.505 -14.740 7.790 1.00 1.77 C flip ATOM 775 CE1 HIS A 49 -4.392 -14.997 7.870 1.00 2.81 C flip ATOM 776 NE2 HIS A 49 -5.528 -15.360 8.410 1.00 2.16 N flip ATOM 0 H HIS A 49 -4.147 -11.432 5.529 1.00 1.10 H new ATOM 0 HA HIS A 49 -5.617 -12.616 4.284 1.00 1.39 H new ATOM 0 HB2 HIS A 49 -7.605 -12.569 6.603 1.00 1.68 H new ATOM 0 HB3 HIS A 49 -7.493 -13.760 5.323 1.00 1.68 H new ATOM 0 HD2 HIS A 49 -7.556 -14.842 8.016 1.00 1.77 H new ATOM 0 HE1 HIS A 49 -3.413 -15.341 8.169 1.00 2.81 H new ATOM 0 HE2 HIS A 49 -5.636 -16.016 9.184 1.00 2.16 H new ATOM 784 N SER A 50 -6.564 -10.094 3.834 1.00 1.11 N ATOM 785 CA SER A 50 -7.451 -9.084 3.174 1.00 1.15 C ATOM 786 C SER A 50 -6.725 -8.445 1.985 1.00 1.12 C ATOM 787 O SER A 50 -5.658 -8.883 1.578 1.00 1.85 O ATOM 788 CB SER A 50 -7.864 -8.001 4.181 1.00 1.19 C ATOM 789 OG SER A 50 -8.921 -7.290 3.524 1.00 2.39 O ATOM 0 H SER A 50 -5.562 -9.921 3.748 1.00 1.11 H new ATOM 0 HA SER A 50 -8.348 -9.588 2.813 1.00 1.15 H new ATOM 0 HB2 SER A 50 -8.203 -8.439 5.120 1.00 1.19 H new ATOM 0 HB3 SER A 50 -7.030 -7.341 4.420 1.00 1.19 H new ATOM 0 HG SER A 50 -9.246 -6.573 4.108 1.00 2.39 H new ATOM 795 N THR A 51 -7.318 -7.413 1.452 1.00 1.02 N ATOM 796 CA THR A 51 -6.714 -6.707 0.280 1.00 1.01 C ATOM 797 C THR A 51 -6.710 -5.183 0.477 1.00 0.97 C ATOM 798 O THR A 51 -7.434 -4.666 1.310 1.00 1.43 O ATOM 799 CB THR A 51 -7.562 -7.066 -0.937 1.00 1.42 C ATOM 800 OG1 THR A 51 -7.454 -8.478 -1.078 1.00 1.83 O ATOM 801 CG2 THR A 51 -6.974 -6.511 -2.222 1.00 2.19 C ATOM 0 H THR A 51 -8.202 -7.023 1.779 1.00 1.02 H new ATOM 0 HA THR A 51 -5.676 -7.016 0.156 1.00 1.01 H new ATOM 0 HB THR A 51 -8.570 -6.679 -0.791 1.00 1.42 H new ATOM 0 HG1 THR A 51 -7.983 -8.771 -1.849 1.00 1.83 H new ATOM 0 HG21 THR A 51 -7.609 -6.790 -3.063 1.00 2.19 H new ATOM 0 HG22 THR A 51 -6.916 -5.425 -2.156 1.00 2.19 H new ATOM 0 HG23 THR A 51 -5.974 -6.920 -2.371 1.00 2.19 H new ATOM 809 N VAL A 52 -5.878 -4.500 -0.284 1.00 0.86 N ATOM 810 CA VAL A 52 -5.810 -3.003 -0.174 1.00 0.96 C ATOM 811 C VAL A 52 -5.601 -2.357 -1.557 1.00 0.88 C ATOM 812 O VAL A 52 -4.589 -2.598 -2.182 1.00 1.04 O ATOM 813 CB VAL A 52 -4.633 -2.607 0.736 1.00 1.27 C ATOM 814 CG1 VAL A 52 -4.841 -1.169 1.232 1.00 1.94 C ATOM 815 CG2 VAL A 52 -4.536 -3.568 1.930 1.00 1.71 C ATOM 0 H VAL A 52 -5.248 -4.913 -0.972 1.00 0.86 H new ATOM 0 HA VAL A 52 -6.753 -2.650 0.245 1.00 0.96 H new ATOM 0 HB VAL A 52 -3.703 -2.667 0.170 1.00 1.27 H new ATOM 0 HG11 VAL A 52 -4.010 -0.883 1.877 1.00 1.94 H new ATOM 0 HG12 VAL A 52 -4.887 -0.493 0.378 1.00 1.94 H new ATOM 0 HG13 VAL A 52 -5.774 -1.109 1.793 1.00 1.94 H new ATOM 0 HG21 VAL A 52 -3.699 -3.276 2.565 1.00 1.71 H new ATOM 0 HG22 VAL A 52 -5.460 -3.527 2.506 1.00 1.71 H new ATOM 0 HG23 VAL A 52 -4.379 -4.584 1.568 1.00 1.71 H new ATOM 825 N ASP A 53 -6.521 -1.515 -1.965 1.00 0.77 N ATOM 826 CA ASP A 53 -6.411 -0.831 -3.295 1.00 0.82 C ATOM 827 C ASP A 53 -6.253 0.681 -3.078 1.00 0.84 C ATOM 828 O ASP A 53 -7.175 1.343 -2.616 1.00 0.90 O ATOM 829 CB ASP A 53 -7.684 -1.130 -4.105 1.00 0.97 C ATOM 830 CG ASP A 53 -7.642 -2.580 -4.610 1.00 1.69 C ATOM 831 OD1 ASP A 53 -7.592 -3.466 -3.767 1.00 2.73 O ATOM 832 OD2 ASP A 53 -7.650 -2.727 -5.818 1.00 2.50 O ATOM 0 H ASP A 53 -7.353 -1.270 -1.428 1.00 0.77 H new ATOM 0 HA ASP A 53 -5.541 -1.195 -3.842 1.00 0.82 H new ATOM 0 HB2 ASP A 53 -8.567 -0.975 -3.485 1.00 0.97 H new ATOM 0 HB3 ASP A 53 -7.762 -0.443 -4.947 1.00 0.97 H new ATOM 837 N PHE A 54 -5.090 1.200 -3.386 1.00 1.10 N ATOM 838 CA PHE A 54 -4.847 2.657 -3.187 1.00 1.27 C ATOM 839 C PHE A 54 -4.335 3.304 -4.472 1.00 1.37 C ATOM 840 O PHE A 54 -4.098 2.633 -5.464 1.00 1.66 O ATOM 841 CB PHE A 54 -3.805 2.829 -2.068 1.00 1.81 C ATOM 842 CG PHE A 54 -2.425 2.314 -2.517 1.00 1.11 C ATOM 843 CD1 PHE A 54 -2.175 0.959 -2.624 1.00 1.31 C ATOM 844 CD2 PHE A 54 -1.402 3.201 -2.803 1.00 1.49 C ATOM 845 CE1 PHE A 54 -0.933 0.501 -3.006 1.00 1.82 C ATOM 846 CE2 PHE A 54 -0.158 2.745 -3.180 1.00 1.77 C ATOM 847 CZ PHE A 54 0.079 1.393 -3.280 1.00 1.93 C ATOM 0 H PHE A 54 -4.301 0.676 -3.766 1.00 1.10 H new ATOM 0 HA PHE A 54 -5.783 3.144 -2.914 1.00 1.27 H new ATOM 0 HB2 PHE A 54 -3.733 3.881 -1.792 1.00 1.81 H new ATOM 0 HB3 PHE A 54 -4.128 2.287 -1.179 1.00 1.81 H new ATOM 0 HD1 PHE A 54 -2.961 0.252 -2.406 1.00 1.31 H new ATOM 0 HD2 PHE A 54 -1.581 4.264 -2.730 1.00 1.49 H new ATOM 0 HE1 PHE A 54 -0.753 -0.561 -3.091 1.00 1.82 H new ATOM 0 HE2 PHE A 54 0.632 3.449 -3.397 1.00 1.77 H new ATOM 0 HZ PHE A 54 1.055 1.033 -3.572 1.00 1.93 H new ATOM 857 N ARG A 55 -4.154 4.596 -4.427 1.00 1.67 N ATOM 858 CA ARG A 55 -3.631 5.310 -5.630 1.00 1.98 C ATOM 859 C ARG A 55 -2.147 5.647 -5.418 1.00 2.44 C ATOM 860 O ARG A 55 -1.713 5.916 -4.313 1.00 2.93 O ATOM 861 CB ARG A 55 -4.471 6.579 -5.861 1.00 2.42 C ATOM 862 CG ARG A 55 -3.674 7.620 -6.654 1.00 3.54 C ATOM 863 CD ARG A 55 -4.609 8.653 -7.279 1.00 4.02 C ATOM 864 NE ARG A 55 -5.479 9.253 -6.224 1.00 4.40 N ATOM 865 CZ ARG A 55 -6.724 9.527 -6.487 1.00 4.92 C ATOM 866 NH1 ARG A 55 -6.998 10.146 -7.595 1.00 5.50 N ATOM 867 NH2 ARG A 55 -7.634 9.153 -5.644 1.00 5.53 N ATOM 0 H ARG A 55 -4.344 5.186 -3.617 1.00 1.67 H new ATOM 0 HA ARG A 55 -3.709 4.679 -6.515 1.00 1.98 H new ATOM 0 HB2 ARG A 55 -5.383 6.324 -6.401 1.00 2.42 H new ATOM 0 HB3 ARG A 55 -4.775 6.999 -4.902 1.00 2.42 H new ATOM 0 HG2 ARG A 55 -2.961 8.118 -5.997 1.00 3.54 H new ATOM 0 HG3 ARG A 55 -3.096 7.126 -7.435 1.00 3.54 H new ATOM 0 HD2 ARG A 55 -4.027 9.433 -7.770 1.00 4.02 H new ATOM 0 HD3 ARG A 55 -5.224 8.183 -8.046 1.00 4.02 H new ATOM 0 HE ARG A 55 -5.098 9.448 -5.298 1.00 4.40 H new ATOM 0 HH11 ARG A 55 -6.246 10.405 -8.234 1.00 5.50 H new ATOM 0 HH12 ARG A 55 -7.965 10.373 -7.827 1.00 5.50 H new ATOM 0 HH21 ARG A 55 -7.368 8.655 -4.795 1.00 5.53 H new ATOM 0 HH22 ARG A 55 -8.616 9.357 -5.830 1.00 5.53 H new ATOM 881 N VAL A 56 -1.405 5.636 -6.503 1.00 2.71 N ATOM 882 CA VAL A 56 0.057 5.937 -6.448 1.00 3.47 C ATOM 883 C VAL A 56 0.328 7.295 -7.098 1.00 3.32 C ATOM 884 O VAL A 56 1.408 7.554 -7.597 1.00 4.59 O ATOM 885 CB VAL A 56 0.796 4.837 -7.223 1.00 4.23 C ATOM 886 CG1 VAL A 56 0.783 3.542 -6.408 1.00 5.24 C ATOM 887 CG2 VAL A 56 0.117 4.572 -8.576 1.00 4.20 C ATOM 0 H VAL A 56 -1.760 5.428 -7.436 1.00 2.71 H new ATOM 0 HA VAL A 56 0.400 5.969 -5.414 1.00 3.47 H new ATOM 0 HB VAL A 56 1.820 5.169 -7.396 1.00 4.23 H new ATOM 0 HG11 VAL A 56 1.308 2.761 -6.958 1.00 5.24 H new ATOM 0 HG12 VAL A 56 1.279 3.709 -5.452 1.00 5.24 H new ATOM 0 HG13 VAL A 56 -0.247 3.233 -6.233 1.00 5.24 H new ATOM 0 HG21 VAL A 56 0.658 3.789 -9.107 1.00 4.20 H new ATOM 0 HG22 VAL A 56 -0.912 4.254 -8.410 1.00 4.20 H new ATOM 0 HG23 VAL A 56 0.123 5.485 -9.171 1.00 4.20 H new ATOM 897 N LYS A 57 -0.667 8.130 -7.003 1.00 2.50 N ATOM 898 CA LYS A 57 -0.650 9.503 -7.585 1.00 2.44 C ATOM 899 C LYS A 57 -0.348 9.505 -9.107 1.00 1.94 C ATOM 900 O LYS A 57 -1.222 9.915 -9.836 1.00 2.91 O ATOM 901 CB LYS A 57 0.316 10.346 -6.768 1.00 2.96 C ATOM 902 CG LYS A 57 -0.045 10.180 -5.277 1.00 3.92 C ATOM 903 CD LYS A 57 0.452 11.368 -4.433 1.00 4.68 C ATOM 904 CE LYS A 57 1.982 11.379 -4.350 1.00 5.54 C ATOM 905 NZ LYS A 57 2.588 11.710 -5.668 1.00 5.16 N ATOM 0 H LYS A 57 -1.537 7.904 -6.520 1.00 2.50 H new ATOM 0 HA LYS A 57 -1.644 9.946 -7.520 1.00 2.44 H new ATOM 0 HB2 LYS A 57 1.343 10.030 -6.948 1.00 2.96 H new ATOM 0 HB3 LYS A 57 0.249 11.394 -7.061 1.00 2.96 H new ATOM 0 HG2 LYS A 57 -1.126 10.087 -5.173 1.00 3.92 H new ATOM 0 HG3 LYS A 57 0.392 9.256 -4.898 1.00 3.92 H new ATOM 0 HD2 LYS A 57 0.101 12.302 -4.871 1.00 4.68 H new ATOM 0 HD3 LYS A 57 0.030 11.308 -3.430 1.00 4.68 H new ATOM 0 HE2 LYS A 57 2.304 12.107 -3.605 1.00 5.54 H new ATOM 0 HE3 LYS A 57 2.338 10.404 -4.017 1.00 5.54 H new ATOM 0 HZ1 LYS A 57 3.382 12.368 -5.530 1.00 5.16 H new ATOM 0 HZ2 LYS A 57 2.934 10.839 -6.119 1.00 5.16 H new ATOM 0 HZ3 LYS A 57 1.872 12.155 -6.277 1.00 5.16 H new ATOM 919 N ALA A 58 0.846 9.096 -9.539 1.00 1.92 N ATOM 920 CA ALA A 58 1.204 9.015 -11.032 1.00 1.87 C ATOM 921 C ALA A 58 2.474 9.767 -11.433 1.00 1.87 C ATOM 922 O ALA A 58 3.138 9.390 -12.386 1.00 2.76 O ATOM 923 CB ALA A 58 0.100 9.562 -11.948 1.00 2.63 C ATOM 0 H ALA A 58 1.601 8.810 -8.916 1.00 1.92 H new ATOM 0 HA ALA A 58 1.349 7.943 -11.166 1.00 1.87 H new ATOM 0 HB1 ALA A 58 0.415 9.476 -12.988 1.00 2.63 H new ATOM 0 HB2 ALA A 58 -0.815 8.989 -11.797 1.00 2.63 H new ATOM 0 HB3 ALA A 58 -0.084 10.610 -11.710 1.00 2.63 H new ATOM 929 N GLU A 59 2.766 10.831 -10.760 1.00 1.90 N ATOM 930 CA GLU A 59 3.976 11.619 -11.139 1.00 2.53 C ATOM 931 C GLU A 59 5.292 10.862 -10.880 1.00 2.70 C ATOM 932 O GLU A 59 6.257 11.073 -11.597 1.00 3.66 O ATOM 933 CB GLU A 59 3.957 12.964 -10.379 1.00 2.92 C ATOM 934 CG GLU A 59 4.202 12.781 -8.870 1.00 3.42 C ATOM 935 CD GLU A 59 3.185 11.818 -8.268 1.00 4.00 C ATOM 936 OE1 GLU A 59 2.020 12.169 -8.256 1.00 4.11 O ATOM 937 OE2 GLU A 59 3.628 10.775 -7.832 1.00 5.09 O ATOM 0 H GLU A 59 2.232 11.194 -9.971 1.00 1.90 H new ATOM 0 HA GLU A 59 3.939 11.794 -12.214 1.00 2.53 H new ATOM 0 HB2 GLU A 59 4.720 13.624 -10.792 1.00 2.92 H new ATOM 0 HB3 GLU A 59 2.995 13.453 -10.533 1.00 2.92 H new ATOM 0 HG2 GLU A 59 5.210 12.402 -8.704 1.00 3.42 H new ATOM 0 HG3 GLU A 59 4.138 13.746 -8.367 1.00 3.42 H new ATOM 944 N ASP A 60 5.305 10.023 -9.873 1.00 2.34 N ATOM 945 CA ASP A 60 6.548 9.249 -9.526 1.00 3.01 C ATOM 946 C ASP A 60 6.395 7.726 -9.673 1.00 2.87 C ATOM 947 O ASP A 60 7.394 7.047 -9.715 1.00 3.89 O ATOM 948 CB ASP A 60 6.906 9.543 -8.059 1.00 3.67 C ATOM 949 CG ASP A 60 7.913 10.694 -7.937 1.00 5.12 C ATOM 950 OD1 ASP A 60 8.881 10.697 -8.686 1.00 6.55 O ATOM 951 OD2 ASP A 60 7.700 11.481 -7.037 1.00 5.39 O ATOM 0 H ASP A 60 4.504 9.837 -9.270 1.00 2.34 H new ATOM 0 HA ASP A 60 7.321 9.567 -10.226 1.00 3.01 H new ATOM 0 HB2 ASP A 60 6.000 9.793 -7.507 1.00 3.67 H new ATOM 0 HB3 ASP A 60 7.322 8.646 -7.600 1.00 3.67 H new ATOM 956 N ILE A 61 5.174 7.241 -9.764 1.00 1.82 N ATOM 957 CA ILE A 61 4.885 5.756 -9.863 1.00 1.73 C ATOM 958 C ILE A 61 6.116 4.860 -9.610 1.00 1.85 C ATOM 959 O ILE A 61 6.240 4.292 -8.544 1.00 1.92 O ATOM 960 CB ILE A 61 4.287 5.445 -11.250 1.00 1.81 C ATOM 961 CG1 ILE A 61 2.943 6.170 -11.395 1.00 1.98 C ATOM 962 CG2 ILE A 61 4.061 3.925 -11.386 1.00 2.13 C ATOM 963 CD1 ILE A 61 2.424 6.064 -12.840 1.00 2.81 C ATOM 0 H ILE A 61 4.338 7.825 -9.774 1.00 1.82 H new ATOM 0 HA ILE A 61 4.175 5.523 -9.070 1.00 1.73 H new ATOM 0 HB ILE A 61 4.974 5.782 -12.026 1.00 1.81 H new ATOM 0 HG12 ILE A 61 2.215 5.738 -10.709 1.00 1.98 H new ATOM 0 HG13 ILE A 61 3.058 7.218 -11.120 1.00 1.98 H new ATOM 0 HG21 ILE A 61 3.638 3.706 -12.367 1.00 2.13 H new ATOM 0 HG22 ILE A 61 5.012 3.404 -11.277 1.00 2.13 H new ATOM 0 HG23 ILE A 61 3.372 3.589 -10.611 1.00 2.13 H new ATOM 0 HD11 ILE A 61 1.470 6.584 -12.923 1.00 2.81 H new ATOM 0 HD12 ILE A 61 3.145 6.518 -13.520 1.00 2.81 H new ATOM 0 HD13 ILE A 61 2.289 5.015 -13.102 1.00 2.81 H new ATOM 975 N LEU A 62 6.970 4.731 -10.599 1.00 2.33 N ATOM 976 CA LEU A 62 8.204 3.879 -10.456 1.00 2.54 C ATOM 977 C LEU A 62 8.880 4.063 -9.087 1.00 2.37 C ATOM 978 O LEU A 62 9.118 3.107 -8.377 1.00 2.17 O ATOM 979 CB LEU A 62 9.214 4.253 -11.554 1.00 3.35 C ATOM 980 CG LEU A 62 8.612 4.020 -12.953 1.00 4.30 C ATOM 981 CD1 LEU A 62 9.486 4.728 -13.994 1.00 4.42 C ATOM 982 CD2 LEU A 62 8.592 2.517 -13.273 1.00 5.80 C ATOM 0 H LEU A 62 6.867 5.182 -11.508 1.00 2.33 H new ATOM 0 HA LEU A 62 7.893 2.838 -10.547 1.00 2.54 H new ATOM 0 HB2 LEU A 62 9.504 5.298 -11.447 1.00 3.35 H new ATOM 0 HB3 LEU A 62 10.120 3.658 -11.439 1.00 3.35 H new ATOM 0 HG LEU A 62 7.595 4.411 -12.975 1.00 4.30 H new ATOM 0 HD11 LEU A 62 9.068 4.569 -14.988 1.00 4.42 H new ATOM 0 HD12 LEU A 62 9.515 5.796 -13.779 1.00 4.42 H new ATOM 0 HD13 LEU A 62 10.497 4.323 -13.956 1.00 4.42 H new ATOM 0 HD21 LEU A 62 8.165 2.362 -14.264 1.00 5.80 H new ATOM 0 HD22 LEU A 62 9.610 2.127 -13.251 1.00 5.80 H new ATOM 0 HD23 LEU A 62 7.987 1.995 -12.531 1.00 5.80 H new ATOM 994 N ALA A 63 9.122 5.302 -8.729 1.00 2.72 N ATOM 995 CA ALA A 63 9.802 5.607 -7.423 1.00 2.90 C ATOM 996 C ALA A 63 8.902 5.317 -6.214 1.00 2.42 C ATOM 997 O ALA A 63 9.267 5.597 -5.092 1.00 2.66 O ATOM 998 CB ALA A 63 10.212 7.081 -7.414 1.00 3.78 C ATOM 0 H ALA A 63 8.878 6.121 -9.286 1.00 2.72 H new ATOM 0 HA ALA A 63 10.675 4.960 -7.338 1.00 2.90 H new ATOM 0 HB1 ALA A 63 10.707 7.315 -6.471 1.00 3.78 H new ATOM 0 HB2 ALA A 63 10.896 7.273 -8.240 1.00 3.78 H new ATOM 0 HB3 ALA A 63 9.326 7.706 -7.524 1.00 3.78 H new ATOM 1004 N VAL A 64 7.747 4.796 -6.481 1.00 2.20 N ATOM 1005 CA VAL A 64 6.769 4.419 -5.410 1.00 1.90 C ATOM 1006 C VAL A 64 6.807 2.913 -5.382 1.00 1.31 C ATOM 1007 O VAL A 64 6.916 2.308 -4.324 1.00 1.46 O ATOM 1008 CB VAL A 64 5.347 4.877 -5.781 1.00 1.89 C ATOM 1009 CG1 VAL A 64 4.426 4.714 -4.565 1.00 2.18 C ATOM 1010 CG2 VAL A 64 5.356 6.342 -6.238 1.00 2.76 C ATOM 0 H VAL A 64 7.420 4.605 -7.428 1.00 2.20 H new ATOM 0 HA VAL A 64 7.020 4.878 -4.454 1.00 1.90 H new ATOM 0 HB VAL A 64 4.979 4.262 -6.602 1.00 1.89 H new ATOM 0 HG11 VAL A 64 3.418 5.038 -4.826 1.00 2.18 H new ATOM 0 HG12 VAL A 64 4.404 3.667 -4.263 1.00 2.18 H new ATOM 0 HG13 VAL A 64 4.800 5.321 -3.741 1.00 2.18 H new ATOM 0 HG21 VAL A 64 4.342 6.649 -6.496 1.00 2.76 H new ATOM 0 HG22 VAL A 64 5.732 6.972 -5.432 1.00 2.76 H new ATOM 0 HG23 VAL A 64 6.000 6.447 -7.111 1.00 2.76 H new ATOM 1020 N GLU A 65 6.690 2.345 -6.566 1.00 0.93 N ATOM 1021 CA GLU A 65 6.778 0.866 -6.684 1.00 0.74 C ATOM 1022 C GLU A 65 8.060 0.530 -5.914 1.00 0.71 C ATOM 1023 O GLU A 65 8.151 -0.449 -5.201 1.00 0.82 O ATOM 1024 CB GLU A 65 6.850 0.490 -8.175 1.00 1.15 C ATOM 1025 CG GLU A 65 5.559 0.975 -8.874 1.00 1.35 C ATOM 1026 CD GLU A 65 5.585 0.601 -10.363 1.00 1.92 C ATOM 1027 OE1 GLU A 65 6.240 1.334 -11.081 1.00 2.58 O ATOM 1028 OE2 GLU A 65 4.965 -0.399 -10.695 1.00 2.99 O ATOM 0 H GLU A 65 6.539 2.845 -7.442 1.00 0.93 H new ATOM 0 HA GLU A 65 5.926 0.316 -6.284 1.00 0.74 H new ATOM 0 HB2 GLU A 65 7.724 0.947 -8.638 1.00 1.15 H new ATOM 0 HB3 GLU A 65 6.958 -0.589 -8.287 1.00 1.15 H new ATOM 0 HG2 GLU A 65 4.688 0.527 -8.395 1.00 1.35 H new ATOM 0 HG3 GLU A 65 5.463 2.055 -8.765 1.00 1.35 H new ATOM 1035 N ASP A 66 9.009 1.427 -6.090 1.00 0.76 N ATOM 1036 CA ASP A 66 10.306 1.350 -5.369 1.00 0.81 C ATOM 1037 C ASP A 66 9.993 1.060 -3.897 1.00 0.79 C ATOM 1038 O ASP A 66 10.320 0.004 -3.409 1.00 0.81 O ATOM 1039 CB ASP A 66 11.004 2.710 -5.511 1.00 0.94 C ATOM 1040 CG ASP A 66 12.341 2.711 -4.777 1.00 1.37 C ATOM 1041 OD1 ASP A 66 12.278 2.702 -3.558 1.00 2.12 O ATOM 1042 OD2 ASP A 66 13.339 2.724 -5.476 1.00 2.05 O ATOM 0 H ASP A 66 8.926 2.224 -6.721 1.00 0.76 H new ATOM 0 HA ASP A 66 10.955 0.570 -5.768 1.00 0.81 H new ATOM 0 HB2 ASP A 66 11.163 2.934 -6.566 1.00 0.94 H new ATOM 0 HB3 ASP A 66 10.364 3.496 -5.111 1.00 0.94 H new ATOM 1047 N PHE A 67 9.340 1.999 -3.230 1.00 0.85 N ATOM 1048 CA PHE A 67 8.959 1.797 -1.787 1.00 0.95 C ATOM 1049 C PHE A 67 8.397 0.394 -1.577 1.00 0.92 C ATOM 1050 O PHE A 67 8.783 -0.314 -0.672 1.00 1.07 O ATOM 1051 CB PHE A 67 7.885 2.825 -1.369 1.00 1.02 C ATOM 1052 CG PHE A 67 7.337 2.468 0.034 1.00 0.98 C ATOM 1053 CD1 PHE A 67 6.415 1.444 0.168 1.00 0.96 C ATOM 1054 CD2 PHE A 67 7.803 3.093 1.182 1.00 1.18 C ATOM 1055 CE1 PHE A 67 5.975 1.043 1.411 1.00 0.98 C ATOM 1056 CE2 PHE A 67 7.362 2.690 2.430 1.00 1.20 C ATOM 1057 CZ PHE A 67 6.451 1.663 2.548 1.00 1.03 C ATOM 0 H PHE A 67 9.056 2.895 -3.626 1.00 0.85 H new ATOM 0 HA PHE A 67 9.854 1.929 -1.180 1.00 0.95 H new ATOM 0 HB2 PHE A 67 8.312 3.828 -1.358 1.00 1.02 H new ATOM 0 HB3 PHE A 67 7.073 2.832 -2.096 1.00 1.02 H new ATOM 0 HD1 PHE A 67 6.035 0.952 -0.715 1.00 0.96 H new ATOM 0 HD2 PHE A 67 8.516 3.900 1.101 1.00 1.18 H new ATOM 0 HE1 PHE A 67 5.256 0.242 1.495 1.00 0.98 H new ATOM 0 HE2 PHE A 67 7.734 3.183 3.316 1.00 1.20 H new ATOM 0 HZ PHE A 67 6.112 1.346 3.523 1.00 1.03 H new ATOM 1067 N LEU A 68 7.478 0.045 -2.419 1.00 0.85 N ATOM 1068 CA LEU A 68 6.843 -1.306 -2.286 1.00 0.91 C ATOM 1069 C LEU A 68 7.824 -2.462 -2.549 1.00 0.92 C ATOM 1070 O LEU A 68 7.627 -3.556 -2.045 1.00 1.10 O ATOM 1071 CB LEU A 68 5.684 -1.428 -3.283 1.00 0.90 C ATOM 1072 CG LEU A 68 4.654 -0.302 -3.082 1.00 1.05 C ATOM 1073 CD1 LEU A 68 3.612 -0.399 -4.202 1.00 1.06 C ATOM 1074 CD2 LEU A 68 3.940 -0.475 -1.732 1.00 1.34 C ATOM 0 H LEU A 68 7.135 0.620 -3.188 1.00 0.85 H new ATOM 0 HA LEU A 68 6.497 -1.386 -1.256 1.00 0.91 H new ATOM 0 HB2 LEU A 68 6.072 -1.392 -4.301 1.00 0.90 H new ATOM 0 HB3 LEU A 68 5.197 -2.396 -3.161 1.00 0.90 H new ATOM 0 HG LEU A 68 5.160 0.663 -3.100 1.00 1.05 H new ATOM 0 HD11 LEU A 68 2.871 0.391 -4.079 1.00 1.06 H new ATOM 0 HD12 LEU A 68 4.105 -0.287 -5.168 1.00 1.06 H new ATOM 0 HD13 LEU A 68 3.118 -1.370 -4.157 1.00 1.06 H new ATOM 0 HD21 LEU A 68 3.213 0.327 -1.599 1.00 1.34 H new ATOM 0 HD22 LEU A 68 3.427 -1.437 -1.712 1.00 1.34 H new ATOM 0 HD23 LEU A 68 4.672 -0.438 -0.926 1.00 1.34 H new ATOM 1086 N GLU A 69 8.839 -2.212 -3.320 1.00 1.01 N ATOM 1087 CA GLU A 69 9.812 -3.299 -3.645 1.00 1.12 C ATOM 1088 C GLU A 69 10.969 -3.346 -2.650 1.00 1.19 C ATOM 1089 O GLU A 69 11.363 -4.413 -2.226 1.00 1.31 O ATOM 1090 CB GLU A 69 10.344 -3.037 -5.050 1.00 1.11 C ATOM 1091 CG GLU A 69 11.107 -4.266 -5.556 1.00 1.79 C ATOM 1092 CD GLU A 69 11.061 -4.275 -7.080 1.00 2.12 C ATOM 1093 OE1 GLU A 69 9.952 -4.415 -7.576 1.00 2.56 O ATOM 1094 OE2 GLU A 69 12.118 -4.110 -7.657 1.00 3.21 O ATOM 0 H GLU A 69 9.042 -1.306 -3.741 1.00 1.01 H new ATOM 0 HA GLU A 69 9.306 -4.263 -3.587 1.00 1.12 H new ATOM 0 HB2 GLU A 69 9.519 -2.808 -5.724 1.00 1.11 H new ATOM 0 HB3 GLU A 69 11.001 -2.167 -5.043 1.00 1.11 H new ATOM 0 HG2 GLU A 69 12.140 -4.239 -5.209 1.00 1.79 H new ATOM 0 HG3 GLU A 69 10.661 -5.178 -5.159 1.00 1.79 H new ATOM 1101 N GLN A 70 11.523 -2.201 -2.350 1.00 1.18 N ATOM 1102 CA GLN A 70 12.659 -2.134 -1.368 1.00 1.35 C ATOM 1103 C GLN A 70 12.373 -2.984 -0.115 1.00 1.47 C ATOM 1104 O GLN A 70 13.288 -3.444 0.533 1.00 1.80 O ATOM 1105 CB GLN A 70 12.891 -0.678 -0.944 1.00 1.41 C ATOM 1106 CG GLN A 70 11.562 -0.059 -0.505 1.00 2.54 C ATOM 1107 CD GLN A 70 11.794 1.323 0.086 1.00 3.41 C ATOM 1108 OE1 GLN A 70 11.855 1.484 1.289 1.00 4.32 O ATOM 1109 NE2 GLN A 70 11.924 2.343 -0.711 1.00 3.44 N ATOM 0 H GLN A 70 11.240 -1.303 -2.742 1.00 1.18 H new ATOM 0 HA GLN A 70 13.548 -2.531 -1.859 1.00 1.35 H new ATOM 0 HB2 GLN A 70 13.612 -0.636 -0.127 1.00 1.41 H new ATOM 0 HB3 GLN A 70 13.314 -0.109 -1.772 1.00 1.41 H new ATOM 0 HG2 GLN A 70 10.886 0.011 -1.357 1.00 2.54 H new ATOM 0 HG3 GLN A 70 11.080 -0.701 0.232 1.00 2.54 H new ATOM 0 HE21 GLN A 70 11.873 2.211 -1.721 1.00 3.44 H new ATOM 0 HE22 GLN A 70 12.077 3.275 -0.326 1.00 3.44 H new ATOM 1118 N ASN A 71 11.113 -3.081 0.240 1.00 1.29 N ATOM 1119 CA ASN A 71 10.702 -3.887 1.420 1.00 1.42 C ATOM 1120 C ASN A 71 9.745 -4.984 0.934 1.00 1.35 C ATOM 1121 O ASN A 71 8.792 -5.340 1.602 1.00 1.50 O ATOM 1122 CB ASN A 71 10.026 -2.963 2.443 1.00 1.49 C ATOM 1123 CG ASN A 71 9.131 -1.963 1.718 1.00 1.58 C ATOM 1124 OD1 ASN A 71 8.325 -2.326 0.909 1.00 3.04 O ATOM 1125 ND2 ASN A 71 9.254 -0.695 1.936 1.00 1.50 N ATOM 0 H ASN A 71 10.344 -2.625 -0.251 1.00 1.29 H new ATOM 0 HA ASN A 71 11.560 -4.354 1.904 1.00 1.42 H new ATOM 0 HB2 ASN A 71 9.436 -3.552 3.145 1.00 1.49 H new ATOM 0 HB3 ASN A 71 10.781 -2.435 3.025 1.00 1.49 H new ATOM 0 HD21 ASN A 71 8.673 -0.031 1.425 1.00 1.50 H new ATOM 0 HD22 ASN A 71 9.932 -0.358 2.619 1.00 1.50 H new ATOM 1132 N GLU A 72 10.085 -5.483 -0.231 1.00 1.40 N ATOM 1133 CA GLU A 72 9.339 -6.569 -0.941 1.00 1.43 C ATOM 1134 C GLU A 72 7.950 -6.853 -0.366 1.00 1.23 C ATOM 1135 O GLU A 72 7.700 -7.897 0.216 1.00 1.54 O ATOM 1136 CB GLU A 72 10.193 -7.838 -0.884 1.00 1.74 C ATOM 1137 CG GLU A 72 11.636 -7.500 -1.284 1.00 3.36 C ATOM 1138 CD GLU A 72 12.443 -8.791 -1.428 1.00 4.10 C ATOM 1139 OE1 GLU A 72 12.264 -9.437 -2.452 1.00 4.16 O ATOM 1140 OE2 GLU A 72 13.189 -9.067 -0.503 1.00 5.37 O ATOM 0 H GLU A 72 10.902 -5.158 -0.748 1.00 1.40 H new ATOM 0 HA GLU A 72 9.168 -6.236 -1.965 1.00 1.43 H new ATOM 0 HB2 GLU A 72 10.172 -8.259 0.121 1.00 1.74 H new ATOM 0 HB3 GLU A 72 9.786 -8.594 -1.555 1.00 1.74 H new ATOM 0 HG2 GLU A 72 11.644 -6.947 -2.223 1.00 3.36 H new ATOM 0 HG3 GLU A 72 12.092 -6.856 -0.532 1.00 3.36 H new ATOM 1147 N LEU A 73 7.066 -5.919 -0.554 1.00 0.92 N ATOM 1148 CA LEU A 73 5.692 -6.121 -0.050 1.00 0.82 C ATOM 1149 C LEU A 73 4.910 -6.944 -1.063 1.00 1.07 C ATOM 1150 O LEU A 73 5.414 -7.275 -2.127 1.00 2.40 O ATOM 1151 CB LEU A 73 5.014 -4.766 0.124 1.00 0.74 C ATOM 1152 CG LEU A 73 5.822 -3.882 1.077 1.00 1.33 C ATOM 1153 CD1 LEU A 73 5.098 -2.543 1.238 1.00 2.26 C ATOM 1154 CD2 LEU A 73 5.952 -4.537 2.457 1.00 2.20 C ATOM 0 H LEU A 73 7.236 -5.033 -1.031 1.00 0.92 H new ATOM 0 HA LEU A 73 5.723 -6.640 0.908 1.00 0.82 H new ATOM 0 HB2 LEU A 73 4.917 -4.274 -0.844 1.00 0.74 H new ATOM 0 HB3 LEU A 73 4.005 -4.904 0.514 1.00 0.74 H new ATOM 0 HG LEU A 73 6.819 -3.740 0.660 1.00 1.33 H new ATOM 0 HD11 LEU A 73 5.663 -1.903 1.915 1.00 2.26 H new ATOM 0 HD12 LEU A 73 5.012 -2.057 0.266 1.00 2.26 H new ATOM 0 HD13 LEU A 73 4.102 -2.715 1.647 1.00 2.26 H new ATOM 0 HD21 LEU A 73 6.530 -3.888 3.115 1.00 2.20 H new ATOM 0 HD22 LEU A 73 4.960 -4.692 2.881 1.00 2.20 H new ATOM 0 HD23 LEU A 73 6.458 -5.497 2.358 1.00 2.20 H new ATOM 1166 N GLN A 74 3.681 -7.211 -0.730 1.00 0.89 N ATOM 1167 CA GLN A 74 2.831 -8.008 -1.644 1.00 0.94 C ATOM 1168 C GLN A 74 2.002 -7.034 -2.460 1.00 0.93 C ATOM 1169 O GLN A 74 0.795 -6.945 -2.308 1.00 1.11 O ATOM 1170 CB GLN A 74 1.938 -8.926 -0.808 1.00 1.16 C ATOM 1171 CG GLN A 74 2.818 -9.670 0.210 1.00 1.70 C ATOM 1172 CD GLN A 74 2.449 -11.151 0.257 1.00 2.55 C ATOM 1173 OE1 GLN A 74 1.246 -11.535 -0.053 1.00 3.30 O flip ATOM 1174 NE2 GLN A 74 3.265 -11.978 0.600 1.00 3.90 N flip ATOM 0 H GLN A 74 3.231 -6.911 0.135 1.00 0.89 H new ATOM 0 HA GLN A 74 3.426 -8.629 -2.314 1.00 0.94 H new ATOM 0 HB2 GLN A 74 1.173 -8.344 -0.293 1.00 1.16 H new ATOM 0 HB3 GLN A 74 1.419 -9.637 -1.451 1.00 1.16 H new ATOM 0 HG2 GLN A 74 3.868 -9.560 -0.060 1.00 1.70 H new ATOM 0 HG3 GLN A 74 2.694 -9.227 1.198 1.00 1.70 H new ATOM 0 HE21 GLN A 74 4.212 -11.689 0.846 1.00 3.90 H new ATOM 0 HE22 GLN A 74 3.005 -12.963 0.643 1.00 3.90 H new ATOM 1183 N TYR A 75 2.695 -6.330 -3.313 1.00 1.15 N ATOM 1184 CA TYR A 75 2.018 -5.313 -4.166 1.00 1.32 C ATOM 1185 C TYR A 75 1.731 -5.853 -5.572 1.00 1.38 C ATOM 1186 O TYR A 75 2.310 -6.838 -5.998 1.00 1.24 O ATOM 1187 CB TYR A 75 2.937 -4.082 -4.257 1.00 1.46 C ATOM 1188 CG TYR A 75 4.248 -4.465 -4.967 1.00 1.42 C ATOM 1189 CD1 TYR A 75 5.287 -5.036 -4.258 1.00 1.39 C ATOM 1190 CD2 TYR A 75 4.386 -4.319 -6.337 1.00 1.60 C ATOM 1191 CE1 TYR A 75 6.426 -5.469 -4.900 1.00 1.54 C ATOM 1192 CE2 TYR A 75 5.533 -4.751 -6.980 1.00 1.72 C ATOM 1193 CZ TYR A 75 6.559 -5.337 -6.267 1.00 1.70 C ATOM 1194 OH TYR A 75 7.658 -5.860 -6.919 1.00 2.01 O ATOM 0 H TYR A 75 3.701 -6.415 -3.456 1.00 1.15 H new ATOM 0 HA TYR A 75 1.059 -5.052 -3.718 1.00 1.32 H new ATOM 0 HB2 TYR A 75 2.437 -3.282 -4.803 1.00 1.46 H new ATOM 0 HB3 TYR A 75 3.151 -3.701 -3.258 1.00 1.46 H new ATOM 0 HD1 TYR A 75 5.205 -5.144 -3.187 1.00 1.39 H new ATOM 0 HD2 TYR A 75 3.591 -3.864 -6.909 1.00 1.60 H new ATOM 0 HE1 TYR A 75 7.224 -5.917 -4.327 1.00 1.54 H new ATOM 0 HE2 TYR A 75 5.626 -4.628 -8.049 1.00 1.72 H new ATOM 0 HH TYR A 75 8.339 -5.163 -7.022 1.00 2.01 H new ATOM 1204 N GLU A 76 0.834 -5.179 -6.250 1.00 1.68 N ATOM 1205 CA GLU A 76 0.449 -5.566 -7.644 1.00 1.85 C ATOM 1206 C GLU A 76 -0.415 -4.440 -8.247 1.00 1.81 C ATOM 1207 O GLU A 76 -0.563 -3.388 -7.642 1.00 2.06 O ATOM 1208 CB GLU A 76 -0.351 -6.883 -7.609 1.00 1.86 C ATOM 1209 CG GLU A 76 -1.715 -6.632 -6.966 1.00 2.49 C ATOM 1210 CD GLU A 76 -2.488 -7.943 -6.853 1.00 2.34 C ATOM 1211 OE1 GLU A 76 -2.305 -8.581 -5.836 1.00 3.11 O ATOM 1212 OE2 GLU A 76 -3.219 -8.212 -7.785 1.00 2.77 O ATOM 0 H GLU A 76 0.343 -4.361 -5.889 1.00 1.68 H new ATOM 0 HA GLU A 76 1.340 -5.712 -8.254 1.00 1.85 H new ATOM 0 HB2 GLU A 76 -0.479 -7.270 -8.620 1.00 1.86 H new ATOM 0 HB3 GLU A 76 0.196 -7.639 -7.045 1.00 1.86 H new ATOM 0 HG2 GLU A 76 -1.585 -6.191 -5.978 1.00 2.49 H new ATOM 0 HG3 GLU A 76 -2.281 -5.917 -7.562 1.00 2.49 H new ATOM 1219 N VAL A 77 -0.974 -4.690 -9.407 1.00 1.82 N ATOM 1220 CA VAL A 77 -1.845 -3.673 -10.083 1.00 2.11 C ATOM 1221 C VAL A 77 -3.214 -4.329 -10.353 1.00 2.57 C ATOM 1222 O VAL A 77 -3.451 -5.452 -9.934 1.00 3.46 O ATOM 1223 CB VAL A 77 -1.154 -3.225 -11.401 1.00 2.30 C ATOM 1224 CG1 VAL A 77 -1.929 -2.083 -12.085 1.00 2.85 C ATOM 1225 CG2 VAL A 77 0.269 -2.728 -11.099 1.00 2.39 C ATOM 0 H VAL A 77 -0.863 -5.564 -9.921 1.00 1.82 H new ATOM 0 HA VAL A 77 -1.994 -2.789 -9.462 1.00 2.11 H new ATOM 0 HB VAL A 77 -1.129 -4.087 -12.068 1.00 2.30 H new ATOM 0 HG11 VAL A 77 -1.417 -1.795 -13.003 1.00 2.85 H new ATOM 0 HG12 VAL A 77 -2.938 -2.419 -12.322 1.00 2.85 H new ATOM 0 HG13 VAL A 77 -1.981 -1.225 -11.414 1.00 2.85 H new ATOM 0 HG21 VAL A 77 0.749 -2.415 -12.026 1.00 2.39 H new ATOM 0 HG22 VAL A 77 0.221 -1.883 -10.412 1.00 2.39 H new ATOM 0 HG23 VAL A 77 0.847 -3.533 -10.645 1.00 2.39 H new