USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 571 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 11 MET CE :methyl -137:sc= -7.73! (180deg=-12.2!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.513 X(o=-0.51,f=-0.17) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 24:sc= -1.15 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -102:sc= -2.28! USER MOD Single : A 43 SER OG : rot 180:sc=-0.00116 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0379) USER MOD Single : A 58 ASN : amide:sc= -1.68 K(o=-1.7,f=-4.2!) USER MOD Single : A 61 SER OG : rot -150:sc= -1.24 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 CYS SG : rot -117:sc= 0.164 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -0.352 K(o=-0.35,f=-1.2) USER MOD Single : A 79 SER OG : rot -79:sc= 0.0827 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 108 N MET A 11 6.258 -10.884 3.966 1.00 0.00 N ATOM 109 CA MET A 11 6.332 -10.129 2.719 1.00 0.00 C ATOM 110 C MET A 11 6.965 -8.761 2.949 1.00 0.00 C ATOM 111 O MET A 11 7.789 -8.306 2.154 1.00 0.00 O ATOM 112 CB MET A 11 4.936 -9.964 2.116 1.00 0.00 C ATOM 113 CG MET A 11 4.930 -9.217 0.791 1.00 0.00 C ATOM 114 SD MET A 11 3.839 -7.780 0.804 1.00 0.00 S ATOM 115 CE MET A 11 3.505 -7.593 -0.946 1.00 0.00 C ATOM 0 HA MET A 11 6.958 -10.686 2.022 1.00 0.00 H new ATOM 0 HB2 MET A 11 4.493 -10.949 1.970 1.00 0.00 H new ATOM 0 HB3 MET A 11 4.303 -9.432 2.826 1.00 0.00 H new ATOM 0 HG2 MET A 11 5.945 -8.895 0.556 1.00 0.00 H new ATOM 0 HG3 MET A 11 4.619 -9.896 -0.003 1.00 0.00 H new ATOM 0 HE1 MET A 11 3.557 -6.538 -1.216 1.00 0.00 H new ATOM 0 HE2 MET A 11 4.245 -8.151 -1.519 1.00 0.00 H new ATOM 0 HE3 MET A 11 2.509 -7.976 -1.169 1.00 0.00 H new ATOM 125 N LEU A 12 6.575 -8.109 4.039 1.00 0.00 N ATOM 126 CA LEU A 12 7.104 -6.792 4.372 1.00 0.00 C ATOM 127 C LEU A 12 8.542 -6.894 4.871 1.00 0.00 C ATOM 128 O LEU A 12 9.373 -6.033 4.582 1.00 0.00 O ATOM 129 CB LEU A 12 6.230 -6.121 5.433 1.00 0.00 C ATOM 130 CG LEU A 12 4.848 -5.678 4.950 1.00 0.00 C ATOM 131 CD1 LEU A 12 4.101 -4.956 6.060 1.00 0.00 C ATOM 132 CD2 LEU A 12 4.975 -4.790 3.722 1.00 0.00 C ATOM 0 H LEU A 12 5.894 -8.471 4.707 1.00 0.00 H new ATOM 0 HA LEU A 12 7.094 -6.185 3.467 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.102 -6.812 6.266 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.759 -5.250 5.820 1.00 0.00 H new ATOM 0 HG LEU A 12 4.277 -6.565 4.675 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.120 -4.648 5.698 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.980 -5.625 6.912 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.667 -4.076 6.367 1.00 0.00 H new ATOM 0 HD21 LEU A 12 3.983 -4.483 3.391 1.00 0.00 H new ATOM 0 HD22 LEU A 12 5.564 -3.907 3.971 1.00 0.00 H new ATOM 0 HD23 LEU A 12 5.470 -5.342 2.923 1.00 0.00 H new ATOM 144 N SER A 13 8.828 -7.953 5.622 1.00 0.00 N ATOM 145 CA SER A 13 10.166 -8.169 6.162 1.00 0.00 C ATOM 146 C SER A 13 11.176 -8.394 5.041 1.00 0.00 C ATOM 147 O SER A 13 12.308 -7.917 5.107 1.00 0.00 O ATOM 148 CB SER A 13 10.167 -9.365 7.115 1.00 0.00 C ATOM 149 OG SER A 13 9.926 -8.955 8.449 1.00 0.00 O ATOM 0 H SER A 13 8.151 -8.675 5.870 1.00 0.00 H new ATOM 0 HA SER A 13 10.457 -7.275 6.713 1.00 0.00 H new ATOM 0 HB2 SER A 13 9.403 -10.079 6.807 1.00 0.00 H new ATOM 0 HB3 SER A 13 11.126 -9.879 7.057 1.00 0.00 H new ATOM 0 HG SER A 13 9.930 -9.738 9.038 1.00 0.00 H new ATOM 155 N ALA A 14 10.757 -9.126 4.013 1.00 0.00 N ATOM 156 CA ALA A 14 11.625 -9.416 2.878 1.00 0.00 C ATOM 157 C ALA A 14 11.978 -8.142 2.117 1.00 0.00 C ATOM 158 O ALA A 14 13.148 -7.872 1.848 1.00 0.00 O ATOM 159 CB ALA A 14 10.959 -10.420 1.949 1.00 0.00 C ATOM 0 H ALA A 14 9.822 -9.529 3.943 1.00 0.00 H new ATOM 0 HA ALA A 14 12.550 -9.848 3.260 1.00 0.00 H new ATOM 0 HB1 ALA A 14 11.618 -10.628 1.106 1.00 0.00 H new ATOM 0 HB2 ALA A 14 10.763 -11.344 2.493 1.00 0.00 H new ATOM 0 HB3 ALA A 14 10.019 -10.008 1.582 1.00 0.00 H new ATOM 165 N LEU A 15 10.958 -7.363 1.772 1.00 0.00 N ATOM 166 CA LEU A 15 11.160 -6.117 1.042 1.00 0.00 C ATOM 167 C LEU A 15 11.958 -5.120 1.876 1.00 0.00 C ATOM 168 O LEU A 15 13.095 -4.785 1.542 1.00 0.00 O ATOM 169 CB LEU A 15 9.813 -5.507 0.647 1.00 0.00 C ATOM 170 CG LEU A 15 8.869 -6.450 -0.098 1.00 0.00 C ATOM 171 CD1 LEU A 15 7.437 -5.942 -0.022 1.00 0.00 C ATOM 172 CD2 LEU A 15 9.305 -6.603 -1.548 1.00 0.00 C ATOM 0 H LEU A 15 9.983 -7.573 1.986 1.00 0.00 H new ATOM 0 HA LEU A 15 11.727 -6.343 0.139 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.313 -5.155 1.549 1.00 0.00 H new ATOM 0 HB3 LEU A 15 9.997 -4.633 0.022 1.00 0.00 H new ATOM 0 HG LEU A 15 8.912 -7.429 0.380 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.779 -6.626 -0.558 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.127 -5.883 1.021 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.378 -4.952 -0.475 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.622 -7.278 -2.064 1.00 0.00 H new ATOM 0 HD22 LEU A 15 9.291 -5.629 -2.037 1.00 0.00 H new ATOM 0 HD23 LEU A 15 10.315 -7.012 -1.583 1.00 0.00 H new ATOM 184 N GLY A 16 11.353 -4.647 2.962 1.00 0.00 N ATOM 185 CA GLY A 16 12.022 -3.692 3.825 1.00 0.00 C ATOM 186 C GLY A 16 11.146 -2.501 4.161 1.00 0.00 C ATOM 187 O GLY A 16 11.603 -1.358 4.140 1.00 0.00 O ATOM 0 H GLY A 16 10.413 -4.908 3.259 1.00 0.00 H new ATOM 0 HA2 GLY A 16 12.323 -4.189 4.747 1.00 0.00 H new ATOM 0 HA3 GLY A 16 12.933 -3.343 3.339 1.00 0.00 H new ATOM 191 N LEU A 17 9.881 -2.770 4.472 1.00 0.00 N ATOM 192 CA LEU A 17 8.938 -1.712 4.813 1.00 0.00 C ATOM 193 C LEU A 17 8.050 -2.130 5.981 1.00 0.00 C ATOM 194 O LEU A 17 7.822 -3.319 6.206 1.00 0.00 O ATOM 195 CB LEU A 17 8.072 -1.361 3.601 1.00 0.00 C ATOM 196 CG LEU A 17 7.491 0.054 3.608 1.00 0.00 C ATOM 197 CD1 LEU A 17 8.362 0.993 2.789 1.00 0.00 C ATOM 198 CD2 LEU A 17 6.065 0.049 3.078 1.00 0.00 C ATOM 0 H LEU A 17 9.487 -3.710 4.495 1.00 0.00 H new ATOM 0 HA LEU A 17 9.510 -0.833 5.110 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.669 -1.488 2.698 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.250 -2.074 3.542 1.00 0.00 H new ATOM 0 HG LEU A 17 7.473 0.413 4.637 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.933 1.995 2.806 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.366 1.021 3.213 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.413 0.637 1.760 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.669 1.064 3.091 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.058 -0.331 2.056 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.445 -0.590 3.707 1.00 0.00 H new ATOM 210 N ARG A 18 7.551 -1.146 6.720 1.00 0.00 N ATOM 211 CA ARG A 18 6.688 -1.411 7.865 1.00 0.00 C ATOM 212 C ARG A 18 5.284 -0.866 7.626 1.00 0.00 C ATOM 213 O ARG A 18 5.104 0.129 6.924 1.00 0.00 O ATOM 214 CB ARG A 18 7.283 -0.792 9.133 1.00 0.00 C ATOM 215 CG ARG A 18 8.011 -1.795 10.014 1.00 0.00 C ATOM 216 CD ARG A 18 9.232 -1.174 10.675 1.00 0.00 C ATOM 217 NE ARG A 18 10.241 -2.176 11.011 1.00 0.00 N ATOM 218 CZ ARG A 18 10.116 -3.048 12.009 1.00 0.00 C ATOM 219 NH1 ARG A 18 9.029 -3.045 12.770 1.00 0.00 N ATOM 220 NH2 ARG A 18 11.082 -3.925 12.247 1.00 0.00 N ATOM 0 H ARG A 18 7.729 -0.157 6.547 1.00 0.00 H new ATOM 0 HA ARG A 18 6.620 -2.491 7.995 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.975 0.001 8.850 1.00 0.00 H new ATOM 0 HB3 ARG A 18 6.484 -0.327 9.710 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.332 -2.168 10.780 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.317 -2.652 9.415 1.00 0.00 H new ATOM 0 HD2 ARG A 18 9.667 -0.431 10.007 1.00 0.00 H new ATOM 0 HD3 ARG A 18 8.927 -0.649 11.580 1.00 0.00 H new ATOM 0 HE ARG A 18 11.091 -2.209 10.448 1.00 0.00 H new ATOM 0 HH11 ARG A 18 8.283 -2.372 12.592 1.00 0.00 H new ATOM 0 HH12 ARG A 18 8.939 -3.716 13.533 1.00 0.00 H new ATOM 0 HH21 ARG A 18 11.920 -3.931 11.666 1.00 0.00 H new ATOM 0 HH22 ARG A 18 10.987 -4.593 13.012 1.00 0.00 H new ATOM 234 N LEU A 19 4.291 -1.525 8.215 1.00 0.00 N ATOM 235 CA LEU A 19 2.902 -1.109 8.066 1.00 0.00 C ATOM 236 C LEU A 19 2.704 0.318 8.568 1.00 0.00 C ATOM 237 O LEU A 19 3.580 0.884 9.221 1.00 0.00 O ATOM 238 CB LEU A 19 1.977 -2.063 8.823 1.00 0.00 C ATOM 239 CG LEU A 19 1.792 -3.435 8.173 1.00 0.00 C ATOM 240 CD1 LEU A 19 1.084 -4.386 9.125 1.00 0.00 C ATOM 241 CD2 LEU A 19 1.019 -3.306 6.870 1.00 0.00 C ATOM 0 H LEU A 19 4.423 -2.350 8.800 1.00 0.00 H new ATOM 0 HA LEU A 19 2.652 -1.139 7.005 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.371 -2.205 9.830 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.000 -1.592 8.926 1.00 0.00 H new ATOM 0 HG LEU A 19 2.776 -3.846 7.949 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.961 -5.357 8.645 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.678 -4.502 10.032 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.105 -3.982 9.382 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.896 -4.291 6.421 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.039 -2.874 7.070 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.567 -2.660 6.184 1.00 0.00 H new ATOM 253 N GLY A 20 1.546 0.893 8.258 1.00 0.00 N ATOM 254 CA GLY A 20 1.255 2.249 8.685 1.00 0.00 C ATOM 255 C GLY A 20 2.251 3.258 8.145 1.00 0.00 C ATOM 256 O GLY A 20 2.372 4.363 8.674 1.00 0.00 O ATOM 0 H GLY A 20 0.805 0.444 7.719 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.252 2.522 8.356 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.256 2.291 9.774 1.00 0.00 H new ATOM 260 N ASP A 21 2.966 2.880 7.089 1.00 0.00 N ATOM 261 CA ASP A 21 3.953 3.763 6.479 1.00 0.00 C ATOM 262 C ASP A 21 3.465 4.274 5.128 1.00 0.00 C ATOM 263 O ASP A 21 2.488 3.767 4.577 1.00 0.00 O ATOM 264 CB ASP A 21 5.287 3.032 6.310 1.00 0.00 C ATOM 265 CG ASP A 21 6.454 3.988 6.159 1.00 0.00 C ATOM 266 OD1 ASP A 21 6.898 4.549 7.183 1.00 0.00 O ATOM 267 OD2 ASP A 21 6.926 4.174 5.018 1.00 0.00 O ATOM 0 H ASP A 21 2.880 1.969 6.639 1.00 0.00 H new ATOM 0 HA ASP A 21 4.096 4.618 7.140 1.00 0.00 H new ATOM 0 HB2 ASP A 21 5.457 2.388 7.173 1.00 0.00 H new ATOM 0 HB3 ASP A 21 5.235 2.385 5.435 1.00 0.00 H new ATOM 272 N ARG A 22 4.152 5.282 4.598 1.00 0.00 N ATOM 273 CA ARG A 22 3.788 5.861 3.310 1.00 0.00 C ATOM 274 C ARG A 22 4.618 5.252 2.185 1.00 0.00 C ATOM 275 O ARG A 22 5.726 4.765 2.412 1.00 0.00 O ATOM 276 CB ARG A 22 3.980 7.378 3.337 1.00 0.00 C ATOM 277 CG ARG A 22 2.940 8.137 2.527 1.00 0.00 C ATOM 278 CD ARG A 22 1.987 8.911 3.424 1.00 0.00 C ATOM 279 NE ARG A 22 1.343 10.015 2.716 1.00 0.00 N ATOM 280 CZ ARG A 22 1.991 11.088 2.270 1.00 0.00 C ATOM 281 NH1 ARG A 22 3.300 11.206 2.456 1.00 0.00 N ATOM 282 NH2 ARG A 22 1.330 12.046 1.636 1.00 0.00 N ATOM 0 H ARG A 22 4.963 5.714 5.041 1.00 0.00 H new ATOM 0 HA ARG A 22 2.738 5.638 3.124 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.945 7.722 4.371 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.972 7.617 2.954 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.440 8.826 1.846 1.00 0.00 H new ATOM 0 HG3 ARG A 22 2.374 7.436 1.913 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.225 8.235 3.812 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.534 9.301 4.283 1.00 0.00 H new ATOM 0 HE ARG A 22 0.337 9.960 2.554 1.00 0.00 H new ATOM 0 HH11 ARG A 22 3.814 10.472 2.943 1.00 0.00 H new ATOM 0 HH12 ARG A 22 3.792 12.031 2.112 1.00 0.00 H new ATOM 0 HH21 ARG A 22 0.324 11.961 1.490 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.827 12.868 1.294 1.00 0.00 H new ATOM 296 N VAL A 23 4.076 5.283 0.973 1.00 0.00 N ATOM 297 CA VAL A 23 4.766 4.735 -0.188 1.00 0.00 C ATOM 298 C VAL A 23 4.613 5.647 -1.400 1.00 0.00 C ATOM 299 O VAL A 23 3.816 6.586 -1.386 1.00 0.00 O ATOM 300 CB VAL A 23 4.239 3.332 -0.546 1.00 0.00 C ATOM 301 CG1 VAL A 23 4.759 2.298 0.440 1.00 0.00 C ATOM 302 CG2 VAL A 23 2.719 3.327 -0.585 1.00 0.00 C ATOM 0 H VAL A 23 3.160 5.682 0.769 1.00 0.00 H new ATOM 0 HA VAL A 23 5.821 4.662 0.078 1.00 0.00 H new ATOM 0 HB VAL A 23 4.605 3.068 -1.538 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.376 1.314 0.171 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.849 2.284 0.412 1.00 0.00 H new ATOM 0 HG13 VAL A 23 4.426 2.554 1.446 1.00 0.00 H new ATOM 0 HG21 VAL A 23 2.365 2.328 -0.839 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.329 3.612 0.392 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.372 4.037 -1.336 1.00 0.00 H new ATOM 312 N LEU A 24 5.379 5.364 -2.449 1.00 0.00 N ATOM 313 CA LEU A 24 5.327 6.161 -3.670 1.00 0.00 C ATOM 314 C LEU A 24 4.711 5.364 -4.814 1.00 0.00 C ATOM 315 O LEU A 24 5.283 4.376 -5.275 1.00 0.00 O ATOM 316 CB LEU A 24 6.730 6.631 -4.056 1.00 0.00 C ATOM 317 CG LEU A 24 6.777 7.905 -4.903 1.00 0.00 C ATOM 318 CD1 LEU A 24 6.185 9.077 -4.134 1.00 0.00 C ATOM 319 CD2 LEU A 24 8.204 8.210 -5.327 1.00 0.00 C ATOM 0 H LEU A 24 6.042 4.590 -2.478 1.00 0.00 H new ATOM 0 HA LEU A 24 4.699 7.032 -3.480 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.304 6.798 -3.145 1.00 0.00 H new ATOM 0 HB3 LEU A 24 7.227 5.830 -4.604 1.00 0.00 H new ATOM 0 HG LEU A 24 6.179 7.746 -5.800 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.226 9.975 -4.751 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.148 8.859 -3.880 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.756 9.238 -3.220 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.218 9.119 -5.928 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.824 8.351 -4.442 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.594 7.379 -5.915 1.00 0.00 H new ATOM 331 N LEU A 25 3.540 5.798 -5.269 1.00 0.00 N ATOM 332 CA LEU A 25 2.846 5.126 -6.361 1.00 0.00 C ATOM 333 C LEU A 25 3.252 5.716 -7.708 1.00 0.00 C ATOM 334 O LEU A 25 3.111 6.917 -7.939 1.00 0.00 O ATOM 335 CB LEU A 25 1.331 5.240 -6.177 1.00 0.00 C ATOM 336 CG LEU A 25 0.785 4.621 -4.889 1.00 0.00 C ATOM 337 CD1 LEU A 25 -0.730 4.740 -4.839 1.00 0.00 C ATOM 338 CD2 LEU A 25 1.211 3.165 -4.776 1.00 0.00 C ATOM 0 H LEU A 25 3.052 6.613 -4.898 1.00 0.00 H new ATOM 0 HA LEU A 25 3.129 4.073 -6.345 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.056 6.295 -6.200 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.841 4.764 -7.026 1.00 0.00 H new ATOM 0 HG LEU A 25 1.199 5.168 -4.042 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.100 4.294 -3.916 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.014 5.792 -4.873 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.164 4.219 -5.693 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.814 2.740 -3.854 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.826 2.606 -5.629 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.299 3.104 -4.764 1.00 0.00 H new ATOM 350 N ASP A 26 3.755 4.863 -8.594 1.00 0.00 N ATOM 351 CA ASP A 26 4.181 5.299 -9.919 1.00 0.00 C ATOM 352 C ASP A 26 5.308 6.324 -9.821 1.00 0.00 C ATOM 353 O ASP A 26 5.466 7.172 -10.698 1.00 0.00 O ATOM 354 CB ASP A 26 3.000 5.895 -10.687 1.00 0.00 C ATOM 355 CG ASP A 26 1.902 4.881 -10.939 1.00 0.00 C ATOM 356 OD1 ASP A 26 1.463 4.229 -9.969 1.00 0.00 O ATOM 357 OD2 ASP A 26 1.482 4.738 -12.106 1.00 0.00 O ATOM 0 H ASP A 26 3.878 3.866 -8.419 1.00 0.00 H new ATOM 0 HA ASP A 26 4.554 4.427 -10.457 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.592 6.736 -10.125 1.00 0.00 H new ATOM 0 HB3 ASP A 26 3.352 6.289 -11.640 1.00 0.00 H new ATOM 362 N GLY A 27 6.089 6.239 -8.748 1.00 0.00 N ATOM 363 CA GLY A 27 7.190 7.163 -8.556 1.00 0.00 C ATOM 364 C GLY A 27 6.742 8.612 -8.561 1.00 0.00 C ATOM 365 O GLY A 27 7.514 9.507 -8.905 1.00 0.00 O ATOM 0 H GLY A 27 5.978 5.546 -8.008 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.684 6.942 -7.610 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.928 7.012 -9.344 1.00 0.00 H new ATOM 369 N GLN A 28 5.490 8.843 -8.177 1.00 0.00 N ATOM 370 CA GLN A 28 4.940 10.193 -8.139 1.00 0.00 C ATOM 371 C GLN A 28 3.838 10.302 -7.090 1.00 0.00 C ATOM 372 O GLN A 28 3.974 11.028 -6.105 1.00 0.00 O ATOM 373 CB GLN A 28 4.391 10.582 -9.513 1.00 0.00 C ATOM 374 CG GLN A 28 5.426 11.230 -10.419 1.00 0.00 C ATOM 375 CD GLN A 28 5.826 12.615 -9.948 1.00 0.00 C ATOM 376 OE1 GLN A 28 5.203 13.612 -10.314 1.00 0.00 O ATOM 377 NE2 GLN A 28 6.873 12.683 -9.133 1.00 0.00 N ATOM 0 H GLN A 28 4.838 8.113 -7.888 1.00 0.00 H new ATOM 0 HA GLN A 28 5.744 10.878 -7.869 1.00 0.00 H new ATOM 0 HB2 GLN A 28 3.997 9.692 -10.003 1.00 0.00 H new ATOM 0 HB3 GLN A 28 3.555 11.269 -9.380 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.311 10.596 -10.465 1.00 0.00 H new ATOM 0 HG3 GLN A 28 5.028 11.295 -11.431 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.360 11.831 -8.856 1.00 0.00 H new ATOM 0 HE22 GLN A 28 7.190 13.588 -8.785 1.00 0.00 H new ATOM 386 N LYS A 29 2.748 9.575 -7.308 1.00 0.00 N ATOM 387 CA LYS A 29 1.621 9.589 -6.381 1.00 0.00 C ATOM 388 C LYS A 29 2.049 9.104 -5.000 1.00 0.00 C ATOM 389 O LYS A 29 2.994 8.327 -4.869 1.00 0.00 O ATOM 390 CB LYS A 29 0.485 8.715 -6.913 1.00 0.00 C ATOM 391 CG LYS A 29 -0.428 9.432 -7.894 1.00 0.00 C ATOM 392 CD LYS A 29 0.231 9.591 -9.256 1.00 0.00 C ATOM 393 CE LYS A 29 0.678 11.024 -9.499 1.00 0.00 C ATOM 394 NZ LYS A 29 -0.237 11.741 -10.430 1.00 0.00 N ATOM 0 H LYS A 29 2.620 8.969 -8.118 1.00 0.00 H new ATOM 0 HA LYS A 29 1.267 10.616 -6.292 1.00 0.00 H new ATOM 0 HB2 LYS A 29 0.911 7.838 -7.401 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.109 8.356 -6.073 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.358 8.874 -8.002 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.689 10.413 -7.498 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.091 8.925 -9.325 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.468 9.290 -10.036 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.720 11.557 -8.549 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.688 11.025 -9.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.102 12.714 -10.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -0.258 11.247 -11.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.195 11.763 -10.026 1.00 0.00 H new ATOM 408 N THR A 30 1.345 9.567 -3.972 1.00 0.00 N ATOM 409 CA THR A 30 1.650 9.180 -2.599 1.00 0.00 C ATOM 410 C THR A 30 0.507 8.370 -1.997 1.00 0.00 C ATOM 411 O THR A 30 -0.658 8.756 -2.093 1.00 0.00 O ATOM 412 CB THR A 30 1.918 10.419 -1.744 1.00 0.00 C ATOM 413 OG1 THR A 30 1.059 11.482 -2.118 1.00 0.00 O ATOM 414 CG2 THR A 30 3.342 10.923 -1.848 1.00 0.00 C ATOM 0 H THR A 30 0.559 10.211 -4.064 1.00 0.00 H new ATOM 0 HA THR A 30 2.545 8.558 -2.614 1.00 0.00 H new ATOM 0 HB THR A 30 1.735 10.105 -0.716 1.00 0.00 H new ATOM 0 HG1 THR A 30 1.245 12.265 -1.559 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.463 11.803 -1.217 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.029 10.143 -1.519 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.560 11.186 -2.883 1.00 0.00 H new ATOM 422 N GLY A 31 0.847 7.247 -1.374 1.00 0.00 N ATOM 423 CA GLY A 31 -0.163 6.401 -0.765 1.00 0.00 C ATOM 424 C GLY A 31 0.290 5.815 0.557 1.00 0.00 C ATOM 425 O GLY A 31 1.488 5.686 0.810 1.00 0.00 O ATOM 0 H GLY A 31 1.804 6.907 -1.280 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -1.072 6.981 -0.609 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.415 5.592 -1.450 1.00 0.00 H new ATOM 429 N THR A 32 -0.671 5.460 1.404 1.00 0.00 N ATOM 430 CA THR A 32 -0.366 4.885 2.709 1.00 0.00 C ATOM 431 C THR A 32 -0.636 3.384 2.718 1.00 0.00 C ATOM 432 O THR A 32 -1.716 2.934 2.333 1.00 0.00 O ATOM 433 CB THR A 32 -1.195 5.569 3.797 1.00 0.00 C ATOM 434 OG1 THR A 32 -1.560 6.879 3.400 1.00 0.00 O ATOM 435 CG2 THR A 32 -0.472 5.676 5.122 1.00 0.00 C ATOM 0 H THR A 32 -1.667 5.560 1.210 1.00 0.00 H new ATOM 0 HA THR A 32 0.693 5.048 2.911 1.00 0.00 H new ATOM 0 HB THR A 32 -2.073 4.937 3.931 1.00 0.00 H new ATOM 0 HG1 THR A 32 -2.091 7.299 4.108 1.00 0.00 H new ATOM 0 HG21 THR A 32 -1.116 6.171 5.849 1.00 0.00 H new ATOM 0 HG22 THR A 32 -0.220 4.678 5.481 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.441 6.256 4.992 1.00 0.00 H new ATOM 443 N LEU A 33 0.353 2.612 3.159 1.00 0.00 N ATOM 444 CA LEU A 33 0.221 1.161 3.217 1.00 0.00 C ATOM 445 C LEU A 33 -0.621 0.741 4.417 1.00 0.00 C ATOM 446 O LEU A 33 -0.604 1.394 5.460 1.00 0.00 O ATOM 447 CB LEU A 33 1.600 0.504 3.293 1.00 0.00 C ATOM 448 CG LEU A 33 1.645 -0.958 2.848 1.00 0.00 C ATOM 449 CD1 LEU A 33 1.634 -1.054 1.330 1.00 0.00 C ATOM 450 CD2 LEU A 33 2.873 -1.652 3.418 1.00 0.00 C ATOM 0 H LEU A 33 1.253 2.967 3.481 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.281 0.830 2.308 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.293 1.077 2.677 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.960 0.567 4.320 1.00 0.00 H new ATOM 0 HG LEU A 33 0.757 -1.461 3.231 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.666 -2.102 1.031 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.725 -0.594 0.943 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.503 -0.535 0.926 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.888 -2.692 3.091 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.773 -1.147 3.065 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.839 -1.615 4.507 1.00 0.00 H new ATOM 462 N ARG A 34 -1.358 -0.354 4.261 1.00 0.00 N ATOM 463 CA ARG A 34 -2.208 -0.862 5.332 1.00 0.00 C ATOM 464 C ARG A 34 -2.191 -2.388 5.364 1.00 0.00 C ATOM 465 O ARG A 34 -2.040 -2.995 6.424 1.00 0.00 O ATOM 466 CB ARG A 34 -3.641 -0.359 5.155 1.00 0.00 C ATOM 467 CG ARG A 34 -3.731 1.132 4.874 1.00 0.00 C ATOM 468 CD ARG A 34 -4.922 1.761 5.581 1.00 0.00 C ATOM 469 NE ARG A 34 -4.924 1.468 7.012 1.00 0.00 N ATOM 470 CZ ARG A 34 -5.881 1.864 7.848 1.00 0.00 C ATOM 471 NH1 ARG A 34 -6.912 2.569 7.401 1.00 0.00 N ATOM 472 NH2 ARG A 34 -5.807 1.553 9.135 1.00 0.00 N ATOM 0 H ARG A 34 -1.384 -0.906 3.404 1.00 0.00 H new ATOM 0 HA ARG A 34 -1.816 -0.493 6.280 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.110 -0.904 4.336 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.211 -0.586 6.056 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.813 1.621 5.200 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -3.816 1.297 3.800 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.904 2.841 5.432 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -5.845 1.393 5.134 1.00 0.00 H new ATOM 0 HE ARG A 34 -4.147 0.928 7.393 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -6.974 2.810 6.412 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -7.642 2.870 8.046 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -5.017 1.011 9.484 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -6.540 1.856 9.776 1.00 0.00 H new ATOM 486 N PHE A 35 -2.349 -3.001 4.195 1.00 0.00 N ATOM 487 CA PHE A 35 -2.353 -4.455 4.089 1.00 0.00 C ATOM 488 C PHE A 35 -1.141 -4.947 3.305 1.00 0.00 C ATOM 489 O PHE A 35 -0.633 -4.251 2.426 1.00 0.00 O ATOM 490 CB PHE A 35 -3.640 -4.935 3.413 1.00 0.00 C ATOM 491 CG PHE A 35 -3.741 -6.429 3.305 1.00 0.00 C ATOM 492 CD1 PHE A 35 -4.089 -7.194 4.407 1.00 0.00 C ATOM 493 CD2 PHE A 35 -3.489 -7.069 2.103 1.00 0.00 C ATOM 494 CE1 PHE A 35 -4.183 -8.571 4.311 1.00 0.00 C ATOM 495 CE2 PHE A 35 -3.581 -8.444 2.000 1.00 0.00 C ATOM 496 CZ PHE A 35 -3.929 -9.195 3.105 1.00 0.00 C ATOM 0 H PHE A 35 -2.476 -2.513 3.308 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.304 -4.867 5.097 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.496 -4.561 3.974 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -3.699 -4.502 2.414 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -4.289 -6.710 5.351 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -3.217 -6.486 1.235 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -4.454 -9.157 5.177 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -3.381 -8.930 1.057 1.00 0.00 H new ATOM 0 HZ PHE A 35 -4.003 -10.270 3.027 1.00 0.00 H new ATOM 506 N CYS A 36 -0.681 -6.151 3.630 1.00 0.00 N ATOM 507 CA CYS A 36 0.473 -6.736 2.958 1.00 0.00 C ATOM 508 C CYS A 36 0.290 -8.239 2.769 1.00 0.00 C ATOM 509 O CYS A 36 -0.264 -8.919 3.632 1.00 0.00 O ATOM 510 CB CYS A 36 1.748 -6.463 3.756 1.00 0.00 C ATOM 511 SG CYS A 36 1.768 -7.220 5.397 1.00 0.00 S ATOM 0 H CYS A 36 -1.090 -6.740 4.355 1.00 0.00 H new ATOM 0 HA CYS A 36 0.562 -6.273 1.975 1.00 0.00 H new ATOM 0 HB2 CYS A 36 2.604 -6.828 3.189 1.00 0.00 H new ATOM 0 HB3 CYS A 36 1.873 -5.386 3.863 1.00 0.00 H new ATOM 0 HG CYS A 36 0.958 -8.237 5.416 1.00 0.00 H new ATOM 517 N GLY A 37 0.760 -8.749 1.635 1.00 0.00 N ATOM 518 CA GLY A 37 0.638 -10.168 1.355 1.00 0.00 C ATOM 519 C GLY A 37 -0.309 -10.454 0.206 1.00 0.00 C ATOM 520 O GLY A 37 -0.899 -9.535 -0.363 1.00 0.00 O ATOM 0 H GLY A 37 1.223 -8.206 0.906 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.622 -10.575 1.121 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.285 -10.682 2.249 1.00 0.00 H new ATOM 524 N THR A 38 -0.455 -11.729 -0.135 1.00 0.00 N ATOM 525 CA THR A 38 -1.337 -12.134 -1.223 1.00 0.00 C ATOM 526 C THR A 38 -2.772 -11.691 -0.956 1.00 0.00 C ATOM 527 O THR A 38 -3.132 -11.375 0.178 1.00 0.00 O ATOM 528 CB THR A 38 -1.287 -13.651 -1.411 1.00 0.00 C ATOM 529 OG1 THR A 38 -1.656 -14.316 -0.216 1.00 0.00 O ATOM 530 CG2 THR A 38 0.079 -14.159 -1.817 1.00 0.00 C ATOM 0 H THR A 38 0.026 -12.501 0.327 1.00 0.00 H new ATOM 0 HA THR A 38 -0.990 -11.650 -2.136 1.00 0.00 H new ATOM 0 HB THR A 38 -1.990 -13.866 -2.216 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.620 -15.285 -0.356 1.00 0.00 H new ATOM 0 HG21 THR A 38 0.045 -15.242 -1.933 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.371 -13.702 -2.762 1.00 0.00 H new ATOM 0 HG23 THR A 38 0.807 -13.900 -1.048 1.00 0.00 H new ATOM 538 N THR A 39 -3.584 -11.669 -2.006 1.00 0.00 N ATOM 539 CA THR A 39 -4.980 -11.265 -1.884 1.00 0.00 C ATOM 540 C THR A 39 -5.904 -12.476 -1.949 1.00 0.00 C ATOM 541 O THR A 39 -5.447 -13.613 -2.065 1.00 0.00 O ATOM 542 CB THR A 39 -5.344 -10.272 -2.989 1.00 0.00 C ATOM 543 OG1 THR A 39 -4.827 -10.697 -4.236 1.00 0.00 O ATOM 544 CG2 THR A 39 -4.829 -8.873 -2.729 1.00 0.00 C ATOM 0 H THR A 39 -3.300 -11.926 -2.951 1.00 0.00 H new ATOM 0 HA THR A 39 -5.109 -10.783 -0.915 1.00 0.00 H new ATOM 0 HB THR A 39 -6.434 -10.243 -3.004 1.00 0.00 H new ATOM 0 HG1 THR A 39 -4.022 -10.180 -4.450 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.122 -8.219 -3.550 1.00 0.00 H new ATOM 0 HG22 THR A 39 -5.252 -8.497 -1.797 1.00 0.00 H new ATOM 0 HG23 THR A 39 -3.742 -8.894 -2.652 1.00 0.00 H new ATOM 552 N GLU A 40 -7.207 -12.225 -1.871 1.00 0.00 N ATOM 553 CA GLU A 40 -8.196 -13.294 -1.921 1.00 0.00 C ATOM 554 C GLU A 40 -8.823 -13.392 -3.309 1.00 0.00 C ATOM 555 O GLU A 40 -9.260 -14.463 -3.728 1.00 0.00 O ATOM 556 CB GLU A 40 -9.284 -13.060 -0.870 1.00 0.00 C ATOM 557 CG GLU A 40 -9.668 -14.316 -0.105 1.00 0.00 C ATOM 558 CD GLU A 40 -10.956 -14.936 -0.612 1.00 0.00 C ATOM 559 OE1 GLU A 40 -12.025 -14.316 -0.432 1.00 0.00 O ATOM 560 OE2 GLU A 40 -10.895 -16.042 -1.188 1.00 0.00 O ATOM 0 H GLU A 40 -7.602 -11.290 -1.773 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.689 -14.235 -1.705 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.939 -12.305 -0.163 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.171 -12.657 -1.360 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.862 -15.046 -0.184 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.777 -14.074 0.952 1.00 0.00 H new ATOM 567 N PHE A 41 -8.864 -12.267 -4.017 1.00 0.00 N ATOM 568 CA PHE A 41 -9.438 -12.226 -5.357 1.00 0.00 C ATOM 569 C PHE A 41 -8.366 -11.932 -6.402 1.00 0.00 C ATOM 570 O PHE A 41 -8.611 -11.213 -7.371 1.00 0.00 O ATOM 571 CB PHE A 41 -10.540 -11.167 -5.428 1.00 0.00 C ATOM 572 CG PHE A 41 -10.055 -9.778 -5.123 1.00 0.00 C ATOM 573 CD1 PHE A 41 -9.983 -9.327 -3.815 1.00 0.00 C ATOM 574 CD2 PHE A 41 -9.669 -8.925 -6.145 1.00 0.00 C ATOM 575 CE1 PHE A 41 -9.536 -8.050 -3.531 1.00 0.00 C ATOM 576 CE2 PHE A 41 -9.222 -7.647 -5.868 1.00 0.00 C ATOM 577 CZ PHE A 41 -9.155 -7.209 -4.559 1.00 0.00 C ATOM 0 H PHE A 41 -8.506 -11.372 -3.684 1.00 0.00 H new ATOM 0 HA PHE A 41 -9.867 -13.205 -5.571 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -10.981 -11.179 -6.425 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -11.331 -11.430 -4.726 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -10.279 -9.981 -3.008 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -9.718 -9.263 -7.170 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -9.485 -7.710 -2.507 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -8.925 -6.991 -6.673 1.00 0.00 H new ATOM 0 HZ PHE A 41 -8.805 -6.211 -4.340 1.00 0.00 H new ATOM 587 N ALA A 42 -7.178 -12.493 -6.200 1.00 0.00 N ATOM 588 CA ALA A 42 -6.071 -12.288 -7.126 1.00 0.00 C ATOM 589 C ALA A 42 -4.866 -13.139 -6.741 1.00 0.00 C ATOM 590 O ALA A 42 -4.755 -13.596 -5.603 1.00 0.00 O ATOM 591 CB ALA A 42 -5.687 -10.817 -7.173 1.00 0.00 C ATOM 0 H ALA A 42 -6.958 -13.092 -5.404 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.399 -12.599 -8.118 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.859 -10.679 -7.868 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.542 -10.228 -7.505 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.384 -10.488 -6.179 1.00 0.00 H new ATOM 597 N SER A 43 -3.966 -13.347 -7.697 1.00 0.00 N ATOM 598 CA SER A 43 -2.768 -14.142 -7.459 1.00 0.00 C ATOM 599 C SER A 43 -1.540 -13.247 -7.316 1.00 0.00 C ATOM 600 O SER A 43 -1.479 -12.164 -7.899 1.00 0.00 O ATOM 601 CB SER A 43 -2.557 -15.138 -8.600 1.00 0.00 C ATOM 602 OG SER A 43 -1.254 -15.695 -8.558 1.00 0.00 O ATOM 0 H SER A 43 -4.044 -12.976 -8.644 1.00 0.00 H new ATOM 0 HA SER A 43 -2.906 -14.691 -6.527 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.298 -15.934 -8.533 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.711 -14.638 -9.556 1.00 0.00 H new ATOM 0 HG SER A 43 -1.146 -16.330 -9.297 1.00 0.00 H new ATOM 608 N GLY A 44 -0.566 -13.707 -6.539 1.00 0.00 N ATOM 609 CA GLY A 44 0.647 -12.935 -6.335 1.00 0.00 C ATOM 610 C GLY A 44 0.594 -12.096 -5.073 1.00 0.00 C ATOM 611 O GLY A 44 -0.410 -12.095 -4.362 1.00 0.00 O ATOM 0 H GLY A 44 -0.594 -14.600 -6.047 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.500 -13.611 -6.283 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.809 -12.284 -7.194 1.00 0.00 H new ATOM 615 N GLN A 45 1.680 -11.382 -4.795 1.00 0.00 N ATOM 616 CA GLN A 45 1.754 -10.535 -3.611 1.00 0.00 C ATOM 617 C GLN A 45 1.091 -9.184 -3.864 1.00 0.00 C ATOM 618 O GLN A 45 1.361 -8.528 -4.869 1.00 0.00 O ATOM 619 CB GLN A 45 3.212 -10.329 -3.196 1.00 0.00 C ATOM 620 CG GLN A 45 4.088 -9.774 -4.309 1.00 0.00 C ATOM 621 CD GLN A 45 5.270 -10.670 -4.624 1.00 0.00 C ATOM 622 OE1 GLN A 45 6.266 -10.680 -3.903 1.00 0.00 O ATOM 623 NE2 GLN A 45 5.163 -11.429 -5.709 1.00 0.00 N ATOM 0 H GLN A 45 2.520 -11.373 -5.373 1.00 0.00 H new ATOM 0 HA GLN A 45 1.220 -11.036 -2.804 1.00 0.00 H new ATOM 0 HB2 GLN A 45 3.246 -9.649 -2.345 1.00 0.00 H new ATOM 0 HB3 GLN A 45 3.624 -11.281 -2.861 1.00 0.00 H new ATOM 0 HG2 GLN A 45 3.486 -9.643 -5.208 1.00 0.00 H new ATOM 0 HG3 GLN A 45 4.451 -8.787 -4.022 1.00 0.00 H new ATOM 0 HE21 GLN A 45 4.318 -11.388 -6.278 1.00 0.00 H new ATOM 0 HE22 GLN A 45 5.926 -12.052 -5.973 1.00 0.00 H new ATOM 632 N TRP A 46 0.222 -8.777 -2.945 1.00 0.00 N ATOM 633 CA TRP A 46 -0.481 -7.506 -3.068 1.00 0.00 C ATOM 634 C TRP A 46 -0.355 -6.688 -1.786 1.00 0.00 C ATOM 635 O TRP A 46 -0.029 -7.224 -0.726 1.00 0.00 O ATOM 636 CB TRP A 46 -1.957 -7.744 -3.391 1.00 0.00 C ATOM 637 CG TRP A 46 -2.208 -8.027 -4.841 1.00 0.00 C ATOM 638 CD1 TRP A 46 -1.908 -9.174 -5.517 1.00 0.00 C ATOM 639 CD2 TRP A 46 -2.813 -7.145 -5.795 1.00 0.00 C ATOM 640 NE1 TRP A 46 -2.288 -9.060 -6.832 1.00 0.00 N ATOM 641 CE2 TRP A 46 -2.846 -7.824 -7.028 1.00 0.00 C ATOM 642 CE3 TRP A 46 -3.329 -5.848 -5.726 1.00 0.00 C ATOM 643 CZ2 TRP A 46 -3.375 -7.249 -8.180 1.00 0.00 C ATOM 644 CZ3 TRP A 46 -3.854 -5.278 -6.871 1.00 0.00 C ATOM 645 CH2 TRP A 46 -3.874 -5.978 -8.084 1.00 0.00 C ATOM 0 H TRP A 46 -0.012 -9.309 -2.107 1.00 0.00 H new ATOM 0 HA TRP A 46 -0.024 -6.945 -3.883 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -2.322 -8.581 -2.796 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -2.533 -6.867 -3.094 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -1.440 -10.044 -5.081 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -2.173 -9.779 -7.547 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -3.318 -5.301 -4.795 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -3.391 -7.787 -9.116 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -4.255 -4.276 -6.829 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -4.291 -5.506 -8.961 1.00 0.00 H new ATOM 656 N VAL A 47 -0.613 -5.389 -1.891 1.00 0.00 N ATOM 657 CA VAL A 47 -0.528 -4.498 -0.739 1.00 0.00 C ATOM 658 C VAL A 47 -1.566 -3.385 -0.828 1.00 0.00 C ATOM 659 O VAL A 47 -1.694 -2.722 -1.857 1.00 0.00 O ATOM 660 CB VAL A 47 0.873 -3.868 -0.619 1.00 0.00 C ATOM 661 CG1 VAL A 47 1.883 -4.898 -0.139 1.00 0.00 C ATOM 662 CG2 VAL A 47 1.304 -3.267 -1.948 1.00 0.00 C ATOM 0 H VAL A 47 -0.882 -4.930 -2.761 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.723 -5.105 0.145 1.00 0.00 H new ATOM 0 HB VAL A 47 0.828 -3.067 0.118 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.866 -4.434 -0.061 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.581 -5.276 0.838 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.927 -5.723 -0.850 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.296 -2.827 -1.844 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.332 -4.047 -2.708 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.594 -2.495 -2.246 1.00 0.00 H new ATOM 672 N GLY A 48 -2.306 -3.186 0.258 1.00 0.00 N ATOM 673 CA GLY A 48 -3.325 -2.152 0.283 1.00 0.00 C ATOM 674 C GLY A 48 -2.739 -0.766 0.473 1.00 0.00 C ATOM 675 O GLY A 48 -2.047 -0.507 1.457 1.00 0.00 O ATOM 0 H GLY A 48 -2.218 -3.722 1.121 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.890 -2.180 -0.649 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -4.029 -2.359 1.089 1.00 0.00 H new ATOM 679 N VAL A 49 -3.018 0.126 -0.472 1.00 0.00 N ATOM 680 CA VAL A 49 -2.514 1.493 -0.405 1.00 0.00 C ATOM 681 C VAL A 49 -3.656 2.503 -0.439 1.00 0.00 C ATOM 682 O VAL A 49 -4.663 2.294 -1.115 1.00 0.00 O ATOM 683 CB VAL A 49 -1.546 1.793 -1.564 1.00 0.00 C ATOM 684 CG1 VAL A 49 -0.877 3.144 -1.368 1.00 0.00 C ATOM 685 CG2 VAL A 49 -0.508 0.687 -1.692 1.00 0.00 C ATOM 0 H VAL A 49 -3.590 -0.073 -1.293 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.978 1.585 0.540 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.119 1.831 -2.491 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.197 3.337 -2.198 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.637 3.925 -1.333 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.317 3.140 -0.433 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.168 0.916 -2.516 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.062 0.614 -0.766 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.009 -0.261 -1.886 1.00 0.00 H new ATOM 695 N GLU A 50 -3.491 3.599 0.294 1.00 0.00 N ATOM 696 CA GLU A 50 -4.508 4.644 0.348 1.00 0.00 C ATOM 697 C GLU A 50 -4.011 5.920 -0.326 1.00 0.00 C ATOM 698 O GLU A 50 -3.123 6.598 0.187 1.00 0.00 O ATOM 699 CB GLU A 50 -4.892 4.938 1.799 1.00 0.00 C ATOM 700 CG GLU A 50 -6.360 5.288 1.981 1.00 0.00 C ATOM 701 CD GLU A 50 -6.640 5.958 3.311 1.00 0.00 C ATOM 702 OE1 GLU A 50 -6.462 7.192 3.403 1.00 0.00 O ATOM 703 OE2 GLU A 50 -7.037 5.252 4.261 1.00 0.00 O ATOM 0 H GLU A 50 -2.663 3.787 0.859 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.388 4.288 -0.188 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.656 4.068 2.412 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.282 5.763 2.168 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.675 5.948 1.173 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.958 4.380 1.903 1.00 0.00 H new ATOM 710 N LEU A 51 -4.591 6.238 -1.478 1.00 0.00 N ATOM 711 CA LEU A 51 -4.207 7.432 -2.223 1.00 0.00 C ATOM 712 C LEU A 51 -4.434 8.689 -1.391 1.00 0.00 C ATOM 713 O LEU A 51 -5.400 8.778 -0.632 1.00 0.00 O ATOM 714 CB LEU A 51 -4.998 7.520 -3.529 1.00 0.00 C ATOM 715 CG LEU A 51 -4.670 6.438 -4.559 1.00 0.00 C ATOM 716 CD1 LEU A 51 -5.759 6.362 -5.619 1.00 0.00 C ATOM 717 CD2 LEU A 51 -3.317 6.706 -5.201 1.00 0.00 C ATOM 0 H LEU A 51 -5.328 5.686 -1.916 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.144 7.359 -2.455 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.062 7.468 -3.296 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.818 8.496 -3.980 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.623 5.477 -4.046 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.508 5.587 -6.343 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.711 6.122 -5.146 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.839 7.322 -6.128 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.100 5.926 -5.931 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.336 7.675 -5.700 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.544 6.709 -4.433 1.00 0.00 H new ATOM 729 N ASP A 52 -3.538 9.659 -1.538 1.00 0.00 N ATOM 730 CA ASP A 52 -3.641 10.914 -0.800 1.00 0.00 C ATOM 731 C ASP A 52 -4.660 11.844 -1.448 1.00 0.00 C ATOM 732 O ASP A 52 -5.580 12.329 -0.790 1.00 0.00 O ATOM 733 CB ASP A 52 -2.275 11.602 -0.732 1.00 0.00 C ATOM 734 CG ASP A 52 -2.271 12.784 0.217 1.00 0.00 C ATOM 735 OD1 ASP A 52 -2.644 12.601 1.395 1.00 0.00 O ATOM 736 OD2 ASP A 52 -1.894 13.893 -0.217 1.00 0.00 O ATOM 0 H ASP A 52 -2.732 9.601 -2.161 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.977 10.686 0.212 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.523 10.880 -0.413 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.991 11.939 -1.729 1.00 0.00 H new ATOM 741 N GLU A 53 -4.491 12.089 -2.744 1.00 0.00 N ATOM 742 CA GLU A 53 -5.397 12.962 -3.482 1.00 0.00 C ATOM 743 C GLU A 53 -6.732 12.265 -3.740 1.00 0.00 C ATOM 744 O GLU A 53 -6.808 11.036 -3.746 1.00 0.00 O ATOM 745 CB GLU A 53 -4.764 13.385 -4.808 1.00 0.00 C ATOM 746 CG GLU A 53 -3.666 14.425 -4.654 1.00 0.00 C ATOM 747 CD GLU A 53 -4.211 15.838 -4.576 1.00 0.00 C ATOM 748 OE1 GLU A 53 -4.764 16.203 -3.518 1.00 0.00 O ATOM 749 OE2 GLU A 53 -4.083 16.579 -5.573 1.00 0.00 O ATOM 0 H GLU A 53 -3.735 11.695 -3.304 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.581 13.850 -2.877 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.352 12.505 -5.302 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.541 13.783 -5.461 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.091 14.211 -3.753 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.978 14.350 -5.497 1.00 0.00 H new ATOM 756 N PRO A 54 -7.805 13.045 -3.958 1.00 0.00 N ATOM 757 CA PRO A 54 -9.142 12.497 -4.218 1.00 0.00 C ATOM 758 C PRO A 54 -9.172 11.609 -5.458 1.00 0.00 C ATOM 759 O PRO A 54 -9.571 12.047 -6.538 1.00 0.00 O ATOM 760 CB PRO A 54 -10.013 13.743 -4.430 1.00 0.00 C ATOM 761 CG PRO A 54 -9.255 14.858 -3.796 1.00 0.00 C ATOM 762 CD PRO A 54 -7.803 14.518 -3.966 1.00 0.00 C ATOM 0 HA PRO A 54 -9.483 11.861 -3.401 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -10.179 13.932 -5.491 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -10.994 13.621 -3.970 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -9.491 15.810 -4.271 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -9.512 14.955 -2.741 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -7.402 14.916 -4.898 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -7.196 14.925 -3.158 1.00 0.00 H new ATOM 770 N GLU A 55 -8.745 10.361 -5.297 1.00 0.00 N ATOM 771 CA GLU A 55 -8.721 9.413 -6.404 1.00 0.00 C ATOM 772 C GLU A 55 -8.873 7.982 -5.896 1.00 0.00 C ATOM 773 O GLU A 55 -8.290 7.609 -4.879 1.00 0.00 O ATOM 774 CB GLU A 55 -7.419 9.550 -7.194 1.00 0.00 C ATOM 775 CG GLU A 55 -7.520 10.503 -8.374 1.00 0.00 C ATOM 776 CD GLU A 55 -6.219 11.231 -8.649 1.00 0.00 C ATOM 777 OE1 GLU A 55 -5.248 10.572 -9.078 1.00 0.00 O ATOM 778 OE2 GLU A 55 -6.170 12.460 -8.435 1.00 0.00 O ATOM 0 H GLU A 55 -8.411 9.983 -4.411 1.00 0.00 H new ATOM 0 HA GLU A 55 -9.561 9.639 -7.061 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -6.632 9.897 -6.524 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -7.119 8.567 -7.556 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -7.815 9.945 -9.263 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.306 11.233 -8.181 1.00 0.00 H new ATOM 785 N GLY A 56 -9.661 7.186 -6.611 1.00 0.00 N ATOM 786 CA GLY A 56 -9.874 5.806 -6.217 1.00 0.00 C ATOM 787 C GLY A 56 -11.246 5.296 -6.612 1.00 0.00 C ATOM 788 O GLY A 56 -12.095 6.064 -7.064 1.00 0.00 O ATOM 0 H GLY A 56 -10.156 7.472 -7.456 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.110 5.178 -6.676 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.753 5.717 -5.137 1.00 0.00 H new ATOM 792 N LYS A 57 -11.463 3.996 -6.442 1.00 0.00 N ATOM 793 CA LYS A 57 -12.741 3.383 -6.785 1.00 0.00 C ATOM 794 C LYS A 57 -13.120 2.311 -5.767 1.00 0.00 C ATOM 795 O LYS A 57 -13.772 1.323 -6.105 1.00 0.00 O ATOM 796 CB LYS A 57 -12.679 2.774 -8.186 1.00 0.00 C ATOM 797 CG LYS A 57 -14.045 2.541 -8.808 1.00 0.00 C ATOM 798 CD LYS A 57 -14.686 3.846 -9.250 1.00 0.00 C ATOM 799 CE LYS A 57 -16.181 3.855 -8.971 1.00 0.00 C ATOM 800 NZ LYS A 57 -16.474 4.006 -7.520 1.00 0.00 N ATOM 0 H LYS A 57 -10.770 3.347 -6.069 1.00 0.00 H new ATOM 0 HA LYS A 57 -13.505 4.160 -6.769 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -12.101 3.433 -8.834 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -12.144 1.825 -8.138 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.947 1.874 -9.665 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -14.693 2.042 -8.088 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -14.213 4.679 -8.731 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -14.513 3.995 -10.316 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -16.648 4.671 -9.522 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -16.624 2.929 -9.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -17.482 4.228 -7.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -16.248 3.119 -7.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -15.897 4.777 -7.128 1.00 0.00 H new ATOM 814 N ASN A 58 -12.707 2.514 -4.520 1.00 0.00 N ATOM 815 CA ASN A 58 -13.003 1.566 -3.453 1.00 0.00 C ATOM 816 C ASN A 58 -12.887 2.232 -2.087 1.00 0.00 C ATOM 817 O ASN A 58 -12.296 3.303 -1.955 1.00 0.00 O ATOM 818 CB ASN A 58 -12.056 0.367 -3.533 1.00 0.00 C ATOM 819 CG ASN A 58 -12.521 -0.671 -4.536 1.00 0.00 C ATOM 820 OD1 ASN A 58 -13.715 -0.805 -4.799 1.00 0.00 O ATOM 821 ND2 ASN A 58 -11.574 -1.413 -5.101 1.00 0.00 N ATOM 0 H ASN A 58 -12.166 3.327 -4.224 1.00 0.00 H new ATOM 0 HA ASN A 58 -14.028 1.219 -3.581 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -11.059 0.712 -3.807 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -11.974 -0.094 -2.549 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -11.826 -2.128 -5.783 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -10.596 -1.267 -4.853 1.00 0.00 H new ATOM 828 N ASP A 59 -13.456 1.590 -1.070 1.00 0.00 N ATOM 829 CA ASP A 59 -13.415 2.121 0.287 1.00 0.00 C ATOM 830 C ASP A 59 -12.441 1.329 1.153 1.00 0.00 C ATOM 831 O ASP A 59 -12.654 1.168 2.355 1.00 0.00 O ATOM 832 CB ASP A 59 -14.813 2.089 0.910 1.00 0.00 C ATOM 833 CG ASP A 59 -15.861 2.714 0.011 1.00 0.00 C ATOM 834 OD1 ASP A 59 -15.671 3.877 -0.403 1.00 0.00 O ATOM 835 OD2 ASP A 59 -16.873 2.041 -0.278 1.00 0.00 O ATOM 0 H ASP A 59 -13.950 0.702 -1.161 1.00 0.00 H new ATOM 0 HA ASP A 59 -13.069 3.154 0.237 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -15.090 1.056 1.122 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -14.795 2.617 1.864 1.00 0.00 H new ATOM 840 N GLY A 60 -11.372 0.839 0.535 1.00 0.00 N ATOM 841 CA GLY A 60 -10.381 0.070 1.266 1.00 0.00 C ATOM 842 C GLY A 60 -10.937 -1.237 1.796 1.00 0.00 C ATOM 843 O GLY A 60 -10.474 -1.747 2.817 1.00 0.00 O ATOM 0 H GLY A 60 -11.174 0.960 -0.458 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -9.533 -0.137 0.614 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -10.005 0.665 2.098 1.00 0.00 H new ATOM 847 N SER A 61 -11.931 -1.779 1.102 1.00 0.00 N ATOM 848 CA SER A 61 -12.552 -3.035 1.508 1.00 0.00 C ATOM 849 C SER A 61 -13.236 -3.711 0.324 1.00 0.00 C ATOM 850 O SER A 61 -13.537 -3.068 -0.681 1.00 0.00 O ATOM 851 CB SER A 61 -13.567 -2.788 2.626 1.00 0.00 C ATOM 852 OG SER A 61 -14.251 -3.981 2.967 1.00 0.00 O ATOM 0 H SER A 61 -12.325 -1.369 0.255 1.00 0.00 H new ATOM 0 HA SER A 61 -11.769 -3.696 1.878 1.00 0.00 H new ATOM 0 HB2 SER A 61 -13.056 -2.394 3.505 1.00 0.00 H new ATOM 0 HB3 SER A 61 -14.285 -2.032 2.309 1.00 0.00 H new ATOM 0 HG SER A 61 -15.152 -3.762 3.285 1.00 0.00 H new ATOM 858 N VAL A 62 -13.479 -5.011 0.452 1.00 0.00 N ATOM 859 CA VAL A 62 -14.127 -5.775 -0.609 1.00 0.00 C ATOM 860 C VAL A 62 -15.283 -6.605 -0.060 1.00 0.00 C ATOM 861 O VAL A 62 -15.322 -6.922 1.128 1.00 0.00 O ATOM 862 CB VAL A 62 -13.130 -6.709 -1.319 1.00 0.00 C ATOM 863 CG1 VAL A 62 -13.771 -7.343 -2.543 1.00 0.00 C ATOM 864 CG2 VAL A 62 -11.868 -5.951 -1.702 1.00 0.00 C ATOM 0 H VAL A 62 -13.238 -5.558 1.279 1.00 0.00 H new ATOM 0 HA VAL A 62 -14.511 -5.053 -1.330 1.00 0.00 H new ATOM 0 HB VAL A 62 -12.853 -7.506 -0.629 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -13.051 -8.000 -3.032 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -14.642 -7.923 -2.238 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -14.080 -6.562 -3.238 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -11.175 -6.627 -2.203 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -12.125 -5.132 -2.374 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.398 -5.550 -0.804 1.00 0.00 H new ATOM 874 N GLY A 63 -16.220 -6.954 -0.934 1.00 0.00 N ATOM 875 CA GLY A 63 -17.365 -7.744 -0.518 1.00 0.00 C ATOM 876 C GLY A 63 -16.963 -9.086 0.060 1.00 0.00 C ATOM 877 O GLY A 63 -16.837 -10.071 -0.669 1.00 0.00 O ATOM 0 H GLY A 63 -16.208 -6.704 -1.923 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -17.936 -7.188 0.226 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -18.023 -7.902 -1.372 1.00 0.00 H new ATOM 881 N GLY A 64 -16.762 -9.127 1.374 1.00 0.00 N ATOM 882 CA GLY A 64 -16.375 -10.364 2.027 1.00 0.00 C ATOM 883 C GLY A 64 -15.137 -10.202 2.888 1.00 0.00 C ATOM 884 O GLY A 64 -14.963 -10.914 3.876 1.00 0.00 O ATOM 0 H GLY A 64 -16.860 -8.326 1.998 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -17.200 -10.719 2.645 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -16.191 -11.128 1.272 1.00 0.00 H new ATOM 888 N VAL A 65 -14.275 -9.262 2.511 1.00 0.00 N ATOM 889 CA VAL A 65 -13.048 -9.010 3.256 1.00 0.00 C ATOM 890 C VAL A 65 -12.789 -7.515 3.400 1.00 0.00 C ATOM 891 O VAL A 65 -12.832 -6.770 2.420 1.00 0.00 O ATOM 892 CB VAL A 65 -11.833 -9.667 2.574 1.00 0.00 C ATOM 893 CG1 VAL A 65 -10.602 -9.564 3.462 1.00 0.00 C ATOM 894 CG2 VAL A 65 -12.133 -11.117 2.231 1.00 0.00 C ATOM 0 H VAL A 65 -14.404 -8.664 1.695 1.00 0.00 H new ATOM 0 HA VAL A 65 -13.182 -9.449 4.245 1.00 0.00 H new ATOM 0 HB VAL A 65 -11.628 -9.134 1.646 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.754 -10.033 2.964 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.376 -8.514 3.651 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.793 -10.070 4.408 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -11.263 -11.565 1.750 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -12.366 -11.666 3.143 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -12.986 -11.162 1.553 1.00 0.00 H new ATOM 904 N ARG A 66 -12.520 -7.081 4.626 1.00 0.00 N ATOM 905 CA ARG A 66 -12.254 -5.673 4.899 1.00 0.00 C ATOM 906 C ARG A 66 -10.777 -5.447 5.203 1.00 0.00 C ATOM 907 O ARG A 66 -10.264 -5.913 6.220 1.00 0.00 O ATOM 908 CB ARG A 66 -13.108 -5.190 6.073 1.00 0.00 C ATOM 909 CG ARG A 66 -13.405 -3.700 6.037 1.00 0.00 C ATOM 910 CD ARG A 66 -13.995 -3.217 7.352 1.00 0.00 C ATOM 911 NE ARG A 66 -15.454 -3.291 7.357 1.00 0.00 N ATOM 912 CZ ARG A 66 -16.144 -4.379 7.698 1.00 0.00 C ATOM 913 NH1 ARG A 66 -15.514 -5.488 8.063 1.00 0.00 N ATOM 914 NH2 ARG A 66 -17.469 -4.356 7.673 1.00 0.00 N ATOM 0 H ARG A 66 -12.480 -7.684 5.448 1.00 0.00 H new ATOM 0 HA ARG A 66 -12.515 -5.100 4.009 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -14.049 -5.740 6.077 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -12.596 -5.428 7.006 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -12.488 -3.150 5.825 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -14.100 -3.486 5.225 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -13.599 -3.819 8.170 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -13.684 -2.188 7.533 1.00 0.00 H new ATOM 0 HE ARG A 66 -15.977 -2.459 7.083 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -14.494 -5.512 8.084 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -16.049 -6.317 8.323 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -17.959 -3.506 7.393 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -17.999 -5.188 7.934 1.00 0.00 H new ATOM 928 N TYR A 67 -10.098 -4.731 4.313 1.00 0.00 N ATOM 929 CA TYR A 67 -8.678 -4.443 4.486 1.00 0.00 C ATOM 930 C TYR A 67 -8.475 -3.219 5.373 1.00 0.00 C ATOM 931 O TYR A 67 -7.618 -3.213 6.255 1.00 0.00 O ATOM 932 CB TYR A 67 -8.013 -4.220 3.128 1.00 0.00 C ATOM 933 CG TYR A 67 -8.099 -5.416 2.206 1.00 0.00 C ATOM 934 CD1 TYR A 67 -9.282 -5.723 1.544 1.00 0.00 C ATOM 935 CD2 TYR A 67 -6.999 -6.237 1.997 1.00 0.00 C ATOM 936 CE1 TYR A 67 -9.364 -6.815 0.701 1.00 0.00 C ATOM 937 CE2 TYR A 67 -7.073 -7.330 1.155 1.00 0.00 C ATOM 938 CZ TYR A 67 -8.258 -7.615 0.510 1.00 0.00 C ATOM 939 OH TYR A 67 -8.336 -8.702 -0.329 1.00 0.00 O ATOM 0 H TYR A 67 -10.507 -4.339 3.465 1.00 0.00 H new ATOM 0 HA TYR A 67 -8.215 -5.302 4.972 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -8.479 -3.363 2.642 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -6.964 -3.967 3.284 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -10.151 -5.098 1.691 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -6.070 -6.018 2.501 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -10.291 -7.041 0.194 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -6.207 -7.958 1.003 1.00 0.00 H new ATOM 0 HH TYR A 67 -7.469 -9.159 -0.354 1.00 0.00 H new ATOM 949 N PHE A 68 -9.271 -2.182 5.130 1.00 0.00 N ATOM 950 CA PHE A 68 -9.177 -0.950 5.905 1.00 0.00 C ATOM 951 C PHE A 68 -10.360 -0.032 5.614 1.00 0.00 C ATOM 952 O PHE A 68 -11.218 -0.350 4.792 1.00 0.00 O ATOM 953 CB PHE A 68 -7.867 -0.226 5.593 1.00 0.00 C ATOM 954 CG PHE A 68 -7.635 -0.010 4.124 1.00 0.00 C ATOM 955 CD1 PHE A 68 -7.190 -1.046 3.320 1.00 0.00 C ATOM 956 CD2 PHE A 68 -7.863 1.231 3.549 1.00 0.00 C ATOM 957 CE1 PHE A 68 -6.976 -0.850 1.968 1.00 0.00 C ATOM 958 CE2 PHE A 68 -7.651 1.432 2.198 1.00 0.00 C ATOM 959 CZ PHE A 68 -7.207 0.391 1.407 1.00 0.00 C ATOM 0 H PHE A 68 -9.987 -2.170 4.404 1.00 0.00 H new ATOM 0 HA PHE A 68 -9.196 -1.213 6.963 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -7.866 0.740 6.099 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -7.037 -0.801 6.003 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -7.008 -2.018 3.754 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -8.210 2.049 4.163 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -6.629 -1.666 1.352 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -7.833 2.403 1.761 1.00 0.00 H new ATOM 0 HZ PHE A 68 -7.041 0.547 0.351 1.00 0.00 H new ATOM 969 N ILE A 69 -10.397 1.109 6.296 1.00 0.00 N ATOM 970 CA ILE A 69 -11.474 2.076 6.112 1.00 0.00 C ATOM 971 C ILE A 69 -10.930 3.417 5.629 1.00 0.00 C ATOM 972 O ILE A 69 -9.881 3.871 6.085 1.00 0.00 O ATOM 973 CB ILE A 69 -12.263 2.293 7.415 1.00 0.00 C ATOM 974 CG1 ILE A 69 -11.332 2.773 8.532 1.00 0.00 C ATOM 975 CG2 ILE A 69 -12.974 1.011 7.823 1.00 0.00 C ATOM 976 CD1 ILE A 69 -11.613 4.189 8.986 1.00 0.00 C ATOM 0 H ILE A 69 -9.694 1.386 6.981 1.00 0.00 H new ATOM 0 HA ILE A 69 -12.144 1.665 5.357 1.00 0.00 H new ATOM 0 HB ILE A 69 -13.014 3.063 7.242 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -11.425 2.101 9.385 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -10.300 2.709 8.187 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -13.528 1.180 8.746 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -13.665 0.712 7.035 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -12.239 0.222 7.980 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -10.916 4.462 9.778 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -11.492 4.872 8.145 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -12.634 4.255 9.362 1.00 0.00 H new ATOM 988 N CYS A 70 -11.651 4.045 4.706 1.00 0.00 N ATOM 989 CA CYS A 70 -11.239 5.334 4.164 1.00 0.00 C ATOM 990 C CYS A 70 -12.402 6.025 3.455 1.00 0.00 C ATOM 991 O CYS A 70 -13.388 5.384 3.091 1.00 0.00 O ATOM 992 CB CYS A 70 -10.072 5.150 3.191 1.00 0.00 C ATOM 993 SG CYS A 70 -10.367 3.909 1.910 1.00 0.00 S ATOM 0 H CYS A 70 -12.522 3.683 4.318 1.00 0.00 H new ATOM 0 HA CYS A 70 -10.918 5.963 4.994 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -9.857 6.106 2.713 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -9.183 4.869 3.756 1.00 0.00 H new ATOM 0 HG CYS A 70 -9.512 2.939 2.040 1.00 0.00 H new ATOM 999 N PRO A 71 -12.301 7.350 3.249 1.00 0.00 N ATOM 1000 CA PRO A 71 -13.349 8.127 2.578 1.00 0.00 C ATOM 1001 C PRO A 71 -13.752 7.517 1.239 1.00 0.00 C ATOM 1002 O PRO A 71 -13.075 6.626 0.725 1.00 0.00 O ATOM 1003 CB PRO A 71 -12.697 9.497 2.370 1.00 0.00 C ATOM 1004 CG PRO A 71 -11.665 9.592 3.439 1.00 0.00 C ATOM 1005 CD PRO A 71 -11.158 8.192 3.650 1.00 0.00 C ATOM 0 HA PRO A 71 -14.269 8.164 3.162 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -12.249 9.576 1.379 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -13.429 10.300 2.454 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -10.856 10.260 3.142 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -12.091 9.996 4.358 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -10.276 7.988 3.042 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.876 8.019 4.689 1.00 0.00 H new ATOM 1013 N PRO A 72 -14.865 7.991 0.650 1.00 0.00 N ATOM 1014 CA PRO A 72 -15.352 7.486 -0.638 1.00 0.00 C ATOM 1015 C PRO A 72 -14.342 7.701 -1.761 1.00 0.00 C ATOM 1016 O PRO A 72 -13.915 8.828 -2.019 1.00 0.00 O ATOM 1017 CB PRO A 72 -16.623 8.304 -0.897 1.00 0.00 C ATOM 1018 CG PRO A 72 -16.500 9.504 -0.020 1.00 0.00 C ATOM 1019 CD PRO A 72 -15.730 9.053 1.187 1.00 0.00 C ATOM 0 HA PRO A 72 -15.526 6.410 -0.610 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -16.701 8.589 -1.946 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -17.517 7.730 -0.655 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -15.981 10.313 -0.535 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -17.482 9.884 0.262 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -15.148 9.866 1.622 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -16.390 8.679 1.970 1.00 0.00 H new ATOM 1027 N LYS A 73 -13.961 6.614 -2.423 1.00 0.00 N ATOM 1028 CA LYS A 73 -12.998 6.682 -3.516 1.00 0.00 C ATOM 1029 C LYS A 73 -11.653 7.205 -3.024 1.00 0.00 C ATOM 1030 O LYS A 73 -11.396 8.408 -3.049 1.00 0.00 O ATOM 1031 CB LYS A 73 -13.526 7.578 -4.638 1.00 0.00 C ATOM 1032 CG LYS A 73 -14.845 7.102 -5.227 1.00 0.00 C ATOM 1033 CD LYS A 73 -15.989 8.037 -4.867 1.00 0.00 C ATOM 1034 CE LYS A 73 -17.341 7.380 -5.098 1.00 0.00 C ATOM 1035 NZ LYS A 73 -18.239 7.529 -3.920 1.00 0.00 N ATOM 0 H LYS A 73 -14.304 5.675 -2.222 1.00 0.00 H new ATOM 0 HA LYS A 73 -12.857 5.673 -3.904 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -13.653 8.590 -4.254 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -12.781 7.630 -5.432 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -14.757 7.035 -6.311 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -15.066 6.099 -4.863 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -15.902 8.334 -3.822 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -15.919 8.946 -5.464 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -17.815 7.823 -5.974 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -17.198 6.321 -5.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -19.150 7.068 -4.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -17.799 7.084 -3.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -18.396 8.539 -3.729 1.00 0.00 H new ATOM 1049 N GLN A 74 -10.797 6.292 -2.574 1.00 0.00 N ATOM 1050 CA GLN A 74 -9.479 6.663 -2.074 1.00 0.00 C ATOM 1051 C GLN A 74 -8.578 5.437 -1.950 1.00 0.00 C ATOM 1052 O GLN A 74 -7.403 5.479 -2.313 1.00 0.00 O ATOM 1053 CB GLN A 74 -9.602 7.360 -0.718 1.00 0.00 C ATOM 1054 CG GLN A 74 -8.683 8.562 -0.566 1.00 0.00 C ATOM 1055 CD GLN A 74 -9.313 9.678 0.245 1.00 0.00 C ATOM 1056 OE1 GLN A 74 -10.426 10.118 -0.044 1.00 0.00 O ATOM 1057 NE2 GLN A 74 -8.602 10.142 1.266 1.00 0.00 N ATOM 0 H GLN A 74 -10.993 5.291 -2.546 1.00 0.00 H new ATOM 0 HA GLN A 74 -9.028 7.352 -2.789 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -10.634 7.682 -0.577 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -9.381 6.642 0.072 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -7.756 8.248 -0.086 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -8.419 8.940 -1.554 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -7.684 9.747 1.469 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -8.974 10.893 1.847 1.00 0.00 H new ATOM 1066 N GLY A 75 -9.139 4.348 -1.434 1.00 0.00 N ATOM 1067 CA GLY A 75 -8.372 3.126 -1.272 1.00 0.00 C ATOM 1068 C GLY A 75 -8.067 2.453 -2.595 1.00 0.00 C ATOM 1069 O GLY A 75 -8.941 2.327 -3.451 1.00 0.00 O ATOM 0 H GLY A 75 -10.109 4.290 -1.126 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.437 3.353 -0.759 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.925 2.435 -0.636 1.00 0.00 H new ATOM 1073 N LEU A 76 -6.822 2.018 -2.761 1.00 0.00 N ATOM 1074 CA LEU A 76 -6.404 1.353 -3.990 1.00 0.00 C ATOM 1075 C LEU A 76 -5.452 0.199 -3.687 1.00 0.00 C ATOM 1076 O LEU A 76 -4.523 0.340 -2.891 1.00 0.00 O ATOM 1077 CB LEU A 76 -5.731 2.354 -4.932 1.00 0.00 C ATOM 1078 CG LEU A 76 -6.150 2.244 -6.399 1.00 0.00 C ATOM 1079 CD1 LEU A 76 -7.313 3.179 -6.693 1.00 0.00 C ATOM 1080 CD2 LEU A 76 -4.973 2.550 -7.314 1.00 0.00 C ATOM 0 H LEU A 76 -6.086 2.114 -2.061 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.292 0.949 -4.476 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.950 3.363 -4.582 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.651 2.221 -4.867 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.476 1.221 -6.589 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -7.598 3.087 -7.741 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -8.161 2.914 -6.062 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.015 4.207 -6.487 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.289 2.467 -8.354 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.617 3.562 -7.123 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.169 1.840 -7.122 1.00 0.00 H new ATOM 1092 N PHE A 77 -5.688 -0.940 -4.329 1.00 0.00 N ATOM 1093 CA PHE A 77 -4.853 -2.118 -4.130 1.00 0.00 C ATOM 1094 C PHE A 77 -3.876 -2.292 -5.288 1.00 0.00 C ATOM 1095 O PHE A 77 -4.224 -2.066 -6.446 1.00 0.00 O ATOM 1096 CB PHE A 77 -5.723 -3.368 -3.988 1.00 0.00 C ATOM 1097 CG PHE A 77 -6.541 -3.390 -2.729 1.00 0.00 C ATOM 1098 CD1 PHE A 77 -6.002 -3.864 -1.544 1.00 0.00 C ATOM 1099 CD2 PHE A 77 -7.852 -2.939 -2.731 1.00 0.00 C ATOM 1100 CE1 PHE A 77 -6.753 -3.886 -0.384 1.00 0.00 C ATOM 1101 CE2 PHE A 77 -8.607 -2.959 -1.574 1.00 0.00 C ATOM 1102 CZ PHE A 77 -8.057 -3.433 -0.398 1.00 0.00 C ATOM 0 H PHE A 77 -6.452 -1.072 -4.992 1.00 0.00 H new ATOM 0 HA PHE A 77 -4.281 -1.977 -3.213 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -6.391 -3.435 -4.847 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -5.084 -4.250 -4.012 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -4.983 -4.221 -1.527 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -8.288 -2.568 -3.647 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -6.320 -4.257 0.533 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -9.627 -2.604 -1.589 1.00 0.00 H new ATOM 0 HZ PHE A 77 -8.646 -3.449 0.507 1.00 0.00 H new ATOM 1112 N ALA A 78 -2.651 -2.696 -4.967 1.00 0.00 N ATOM 1113 CA ALA A 78 -1.624 -2.900 -5.981 1.00 0.00 C ATOM 1114 C ALA A 78 -0.514 -3.809 -5.465 1.00 0.00 C ATOM 1115 O ALA A 78 -0.521 -4.216 -4.302 1.00 0.00 O ATOM 1116 CB ALA A 78 -1.050 -1.564 -6.427 1.00 0.00 C ATOM 0 H ALA A 78 -2.346 -2.888 -4.013 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.088 -3.388 -6.838 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.284 -1.732 -7.184 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.846 -0.948 -6.846 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.608 -1.054 -5.571 1.00 0.00 H new ATOM 1122 N SER A 79 0.439 -4.124 -6.337 1.00 0.00 N ATOM 1123 CA SER A 79 1.556 -4.985 -5.968 1.00 0.00 C ATOM 1124 C SER A 79 2.800 -4.158 -5.659 1.00 0.00 C ATOM 1125 O SER A 79 2.928 -3.019 -6.107 1.00 0.00 O ATOM 1126 CB SER A 79 1.857 -5.976 -7.095 1.00 0.00 C ATOM 1127 OG SER A 79 0.723 -6.774 -7.388 1.00 0.00 O ATOM 0 H SER A 79 0.460 -3.796 -7.303 1.00 0.00 H new ATOM 0 HA SER A 79 1.276 -5.538 -5.071 1.00 0.00 H new ATOM 0 HB2 SER A 79 2.164 -5.433 -7.989 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.692 -6.616 -6.808 1.00 0.00 H new ATOM 0 HG SER A 79 0.640 -7.483 -6.717 1.00 0.00 H new ATOM 1133 N VAL A 80 3.715 -4.740 -4.888 1.00 0.00 N ATOM 1134 CA VAL A 80 4.950 -4.058 -4.517 1.00 0.00 C ATOM 1135 C VAL A 80 5.731 -3.617 -5.750 1.00 0.00 C ATOM 1136 O VAL A 80 6.471 -2.633 -5.709 1.00 0.00 O ATOM 1137 CB VAL A 80 5.850 -4.958 -3.650 1.00 0.00 C ATOM 1138 CG1 VAL A 80 5.303 -5.056 -2.234 1.00 0.00 C ATOM 1139 CG2 VAL A 80 5.984 -6.338 -4.274 1.00 0.00 C ATOM 0 H VAL A 80 3.624 -5.682 -4.508 1.00 0.00 H new ATOM 0 HA VAL A 80 4.662 -3.179 -3.941 1.00 0.00 H new ATOM 0 HB VAL A 80 6.842 -4.509 -3.601 1.00 0.00 H new ATOM 0 HG11 VAL A 80 5.952 -5.696 -1.637 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.265 -4.062 -1.789 1.00 0.00 H new ATOM 0 HG13 VAL A 80 4.299 -5.481 -2.260 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.623 -6.960 -3.648 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.999 -6.797 -4.356 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.426 -6.247 -5.266 1.00 0.00 H new ATOM 1149 N SER A 81 5.563 -4.350 -6.846 1.00 0.00 N ATOM 1150 CA SER A 81 6.256 -4.033 -8.091 1.00 0.00 C ATOM 1151 C SER A 81 5.850 -2.656 -8.606 1.00 0.00 C ATOM 1152 O SER A 81 6.640 -1.967 -9.251 1.00 0.00 O ATOM 1153 CB SER A 81 5.954 -5.095 -9.150 1.00 0.00 C ATOM 1154 OG SER A 81 4.557 -5.293 -9.292 1.00 0.00 O ATOM 0 H SER A 81 4.954 -5.167 -6.898 1.00 0.00 H new ATOM 0 HA SER A 81 7.327 -4.023 -7.889 1.00 0.00 H new ATOM 0 HB2 SER A 81 6.380 -4.791 -10.106 1.00 0.00 H new ATOM 0 HB3 SER A 81 6.431 -6.035 -8.873 1.00 0.00 H new ATOM 0 HG SER A 81 4.391 -5.975 -9.976 1.00 0.00 H new ATOM 1160 N LYS A 82 4.613 -2.261 -8.319 1.00 0.00 N ATOM 1161 CA LYS A 82 4.106 -0.965 -8.756 1.00 0.00 C ATOM 1162 C LYS A 82 4.010 0.010 -7.585 1.00 0.00 C ATOM 1163 O LYS A 82 3.185 0.923 -7.593 1.00 0.00 O ATOM 1164 CB LYS A 82 2.733 -1.127 -9.411 1.00 0.00 C ATOM 1165 CG LYS A 82 2.672 -2.259 -10.423 1.00 0.00 C ATOM 1166 CD LYS A 82 1.623 -1.996 -11.491 1.00 0.00 C ATOM 1167 CE LYS A 82 1.068 -3.292 -12.057 1.00 0.00 C ATOM 1168 NZ LYS A 82 0.234 -3.058 -13.269 1.00 0.00 N ATOM 0 H LYS A 82 3.945 -2.819 -7.787 1.00 0.00 H new ATOM 0 HA LYS A 82 4.806 -0.558 -9.486 1.00 0.00 H new ATOM 0 HB2 LYS A 82 1.988 -1.304 -8.635 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.463 -0.194 -9.905 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.648 -2.381 -10.893 1.00 0.00 H new ATOM 0 HG3 LYS A 82 2.445 -3.194 -9.911 1.00 0.00 H new ATOM 0 HD2 LYS A 82 0.811 -1.406 -11.067 1.00 0.00 H new ATOM 0 HD3 LYS A 82 2.061 -1.405 -12.295 1.00 0.00 H new ATOM 0 HE2 LYS A 82 1.892 -3.961 -12.307 1.00 0.00 H new ATOM 0 HE3 LYS A 82 0.470 -3.793 -11.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -0.125 -3.967 -13.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -0.567 -2.440 -13.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 0.811 -2.603 -14.005 1.00 0.00 H new ATOM 1182 N ILE A 83 4.860 -0.187 -6.583 1.00 0.00 N ATOM 1183 CA ILE A 83 4.870 0.678 -5.409 1.00 0.00 C ATOM 1184 C ILE A 83 6.274 0.787 -4.823 1.00 0.00 C ATOM 1185 O ILE A 83 7.004 -0.200 -4.745 1.00 0.00 O ATOM 1186 CB ILE A 83 3.910 0.164 -4.319 1.00 0.00 C ATOM 1187 CG1 ILE A 83 2.526 -0.109 -4.912 1.00 0.00 C ATOM 1188 CG2 ILE A 83 3.814 1.169 -3.179 1.00 0.00 C ATOM 1189 CD1 ILE A 83 1.531 -0.644 -3.904 1.00 0.00 C ATOM 0 H ILE A 83 5.550 -0.937 -6.560 1.00 0.00 H new ATOM 0 HA ILE A 83 4.536 1.662 -5.739 1.00 0.00 H new ATOM 0 HB ILE A 83 4.305 -0.771 -3.922 1.00 0.00 H new ATOM 0 HG12 ILE A 83 2.135 0.813 -5.342 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.624 -0.824 -5.728 1.00 0.00 H new ATOM 0 HG21 ILE A 83 3.132 0.791 -2.417 1.00 0.00 H new ATOM 0 HG22 ILE A 83 4.801 1.318 -2.741 1.00 0.00 H new ATOM 0 HG23 ILE A 83 3.440 2.119 -3.562 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.572 -0.814 -4.394 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.900 -1.583 -3.492 1.00 0.00 H new ATOM 0 HD13 ILE A 83 1.403 0.080 -3.099 1.00 0.00 H new ATOM 1201 N SER A 84 6.645 1.996 -4.411 1.00 0.00 N ATOM 1202 CA SER A 84 7.960 2.234 -3.831 1.00 0.00 C ATOM 1203 C SER A 84 7.856 2.486 -2.330 1.00 0.00 C ATOM 1204 O SER A 84 6.758 2.522 -1.773 1.00 0.00 O ATOM 1205 CB SER A 84 8.635 3.425 -4.517 1.00 0.00 C ATOM 1206 OG SER A 84 9.565 2.992 -5.494 1.00 0.00 O ATOM 0 H SER A 84 6.053 2.825 -4.469 1.00 0.00 H new ATOM 0 HA SER A 84 8.566 1.342 -3.989 1.00 0.00 H new ATOM 0 HB2 SER A 84 7.879 4.055 -4.985 1.00 0.00 H new ATOM 0 HB3 SER A 84 9.144 4.037 -3.772 1.00 0.00 H new ATOM 0 HG SER A 84 9.981 3.772 -5.918 1.00 0.00 H new ATOM 1212 N LYS A 85 9.002 2.661 -1.683 1.00 0.00 N ATOM 1213 CA LYS A 85 9.038 2.909 -0.247 1.00 0.00 C ATOM 1214 C LYS A 85 9.088 4.406 0.048 1.00 0.00 C ATOM 1215 O LYS A 85 9.860 4.857 0.894 1.00 0.00 O ATOM 1216 CB LYS A 85 10.248 2.212 0.380 1.00 0.00 C ATOM 1217 CG LYS A 85 10.298 0.718 0.104 1.00 0.00 C ATOM 1218 CD LYS A 85 11.694 0.269 -0.302 1.00 0.00 C ATOM 1219 CE LYS A 85 11.785 0.015 -1.798 1.00 0.00 C ATOM 1220 NZ LYS A 85 13.168 -0.343 -2.218 1.00 0.00 N ATOM 0 H LYS A 85 9.919 2.636 -2.130 1.00 0.00 H new ATOM 0 HA LYS A 85 8.126 2.503 0.190 1.00 0.00 H new ATOM 0 HB2 LYS A 85 11.160 2.674 0.001 1.00 0.00 H new ATOM 0 HB3 LYS A 85 10.232 2.374 1.458 1.00 0.00 H new ATOM 0 HG2 LYS A 85 9.984 0.172 0.994 1.00 0.00 H new ATOM 0 HG3 LYS A 85 9.591 0.470 -0.688 1.00 0.00 H new ATOM 0 HD2 LYS A 85 12.420 1.031 -0.017 1.00 0.00 H new ATOM 0 HD3 LYS A 85 11.957 -0.640 0.239 1.00 0.00 H new ATOM 0 HE2 LYS A 85 11.103 -0.790 -2.072 1.00 0.00 H new ATOM 0 HE3 LYS A 85 11.461 0.905 -2.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 13.187 -0.508 -3.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 13.815 0.435 -1.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 13.469 -1.207 -1.723 1.00 0.00 H new ATOM 1234 N ALA A 86 8.259 5.170 -0.655 1.00 0.00 N ATOM 1235 CA ALA A 86 8.208 6.615 -0.469 1.00 0.00 C ATOM 1236 C ALA A 86 9.568 7.252 -0.737 1.00 0.00 C ATOM 1237 O ALA A 86 10.569 6.555 -0.902 1.00 0.00 O ATOM 1238 CB ALA A 86 7.736 6.948 0.938 1.00 0.00 C ATOM 0 H ALA A 86 7.613 4.812 -1.359 1.00 0.00 H new ATOM 0 HA ALA A 86 7.497 7.024 -1.187 1.00 0.00 H new ATOM 0 HB1 ALA A 86 7.702 8.030 1.064 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.740 6.533 1.095 1.00 0.00 H new ATOM 0 HB3 ALA A 86 8.427 6.520 1.664 1.00 0.00 H new