USER MOD reduce.3.24.130724 H: found=0, std=0, add=538, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 528 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 52 LYS NZ :NH3+ 147:sc= 0.621 (180deg=0) USER MOD Set 1.2: A 62 TYR OH : rot 180:sc= 0.566 USER MOD Set 2.1: A 35 CYS SG : rot -81:sc= 0.286 USER MOD Set 2.2: A 38 CYS SG : rot 96:sc= 1.28 USER MOD Set 2.3: A 58 CYS SG : rot -84:sc= -0.87! USER MOD Set 2.4: A 60 ASN : amide:sc= 1.07 K(o=1.8,f=0.83) USER MOD Set 3.1: A 8 CYS SG : rot 161:sc= 1.62 USER MOD Set 3.2: A 11 CYS SG : rot -42:sc= 0.416 USER MOD Set 3.3: A 29 HIS : no HD1:sc= -0.845! C(o=-1.2!,f=-6.1!) USER MOD Set 3.4: A 32 CYS SG : rot 140:sc= -2.43! USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 21:sc= -0.0254 USER MOD Single : A 24 MET CE :methyl -156:sc= -0.0896 (180deg=-0.49) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0.117 USER MOD Single : A 34 LYS NZ :NH3+ -162:sc= 0.938 (180deg=0.371) USER MOD Single : A 36 SER OG : rot -87:sc= -1.8! USER MOD Single : A 37 SER OG : rot 85:sc= 1.25 USER MOD Single : A 39 GLN : amide:sc= 1.09 K(o=1.1,f=-0.0026) USER MOD Single : A 41 GLN : amide:sc= 0.899 K(o=0.9,f=-3.5!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -100:sc= 1.2 USER MOD Single : A 49 SER OG : rot 180:sc= -2.75! USER MOD Single : A 50 TYR OH : rot 111:sc= 1.27 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.161 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl -145:sc= 0 (180deg=-1.23) USER MOD Single : A 106 THR OG1 : rot 67:sc= 0.237 USER MOD ----------------------------------------------------------------- ATOM 97 N ARG A 7 -11.111 -2.155 0.772 1.00 0.00 N ATOM 98 CA ARG A 7 -10.496 -3.391 1.246 1.00 0.00 C ATOM 99 C ARG A 7 -9.001 -3.198 1.472 1.00 0.00 C ATOM 100 O ARG A 7 -8.195 -3.358 0.556 1.00 0.00 O ATOM 101 CB ARG A 7 -10.751 -4.544 0.262 1.00 0.00 C ATOM 102 CG ARG A 7 -10.448 -5.917 0.838 1.00 0.00 C ATOM 103 CD ARG A 7 -9.141 -6.474 0.298 1.00 0.00 C ATOM 104 NE ARG A 7 -8.105 -6.522 1.327 1.00 0.00 N ATOM 105 CZ ARG A 7 -7.367 -7.598 1.596 1.00 0.00 C ATOM 106 NH1 ARG A 7 -7.485 -8.696 0.861 1.00 0.00 N ATOM 107 NH2 ARG A 7 -6.489 -7.559 2.584 1.00 0.00 N ATOM 0 HA ARG A 7 -10.956 -3.652 2.199 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -11.793 -4.515 -0.056 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -10.142 -4.391 -0.629 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -10.395 -5.853 1.925 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -11.262 -6.601 0.598 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -9.308 -7.476 -0.096 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -8.799 -5.858 -0.533 1.00 0.00 H new ATOM 0 HE ARG A 7 -7.936 -5.678 1.874 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -8.144 -8.721 0.083 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -6.916 -9.516 1.074 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -6.380 -6.708 3.136 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -5.921 -8.380 2.794 1.00 0.00 H new ATOM 121 N CYS A 8 -8.647 -2.856 2.700 1.00 0.00 N ATOM 122 CA CYS A 8 -7.261 -2.640 3.069 1.00 0.00 C ATOM 123 C CYS A 8 -6.458 -3.922 2.911 1.00 0.00 C ATOM 124 O CYS A 8 -6.859 -4.982 3.395 1.00 0.00 O ATOM 125 CB CYS A 8 -7.188 -2.153 4.513 1.00 0.00 C ATOM 126 SG CYS A 8 -5.508 -2.042 5.203 1.00 0.00 S ATOM 0 H CYS A 8 -9.309 -2.721 3.464 1.00 0.00 H new ATOM 0 HA CYS A 8 -6.835 -1.885 2.409 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -7.655 -1.170 4.573 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -7.777 -2.825 5.137 1.00 0.00 H new ATOM 0 HG CYS A 8 -5.517 -1.262 6.243 1.00 0.00 H new ATOM 131 N ALA A 9 -5.329 -3.819 2.236 1.00 0.00 N ATOM 132 CA ALA A 9 -4.449 -4.955 2.032 1.00 0.00 C ATOM 133 C ALA A 9 -3.468 -5.076 3.189 1.00 0.00 C ATOM 134 O ALA A 9 -2.656 -6.001 3.241 1.00 0.00 O ATOM 135 CB ALA A 9 -3.708 -4.818 0.711 1.00 0.00 C ATOM 0 H ALA A 9 -4.997 -2.951 1.816 1.00 0.00 H new ATOM 0 HA ALA A 9 -5.051 -5.863 1.995 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -3.052 -5.677 0.571 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.427 -4.774 -0.107 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -3.113 -3.905 0.721 1.00 0.00 H new ATOM 141 N GLY A 10 -3.566 -4.148 4.131 1.00 0.00 N ATOM 142 CA GLY A 10 -2.694 -4.163 5.285 1.00 0.00 C ATOM 143 C GLY A 10 -3.240 -5.022 6.403 1.00 0.00 C ATOM 144 O GLY A 10 -2.573 -5.954 6.858 1.00 0.00 O ATOM 0 H GLY A 10 -4.239 -3.381 4.115 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.712 -4.533 4.991 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.555 -3.144 5.647 1.00 0.00 H new ATOM 148 N CYS A 11 -4.471 -4.746 6.816 1.00 0.00 N ATOM 149 CA CYS A 11 -5.105 -5.531 7.863 1.00 0.00 C ATOM 150 C CYS A 11 -6.157 -6.468 7.273 1.00 0.00 C ATOM 151 O CYS A 11 -6.222 -7.648 7.623 1.00 0.00 O ATOM 152 CB CYS A 11 -5.719 -4.619 8.938 1.00 0.00 C ATOM 153 SG CYS A 11 -6.936 -3.405 8.330 1.00 0.00 S ATOM 0 H CYS A 11 -5.045 -3.990 6.444 1.00 0.00 H new ATOM 0 HA CYS A 11 -4.339 -6.141 8.341 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -6.200 -5.245 9.690 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.913 -4.081 9.438 1.00 0.00 H new ATOM 0 HG CYS A 11 -6.505 -2.875 7.224 1.00 0.00 H new ATOM 158 N GLY A 12 -6.956 -5.945 6.359 1.00 0.00 N ATOM 159 CA GLY A 12 -7.978 -6.748 5.725 1.00 0.00 C ATOM 160 C GLY A 12 -9.368 -6.338 6.155 1.00 0.00 C ATOM 161 O GLY A 12 -9.774 -6.590 7.292 1.00 0.00 O ATOM 0 H GLY A 12 -6.915 -4.976 6.044 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -7.892 -6.656 4.642 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -7.818 -7.798 5.970 1.00 0.00 H new ATOM 165 N GLY A 13 -10.089 -5.675 5.264 1.00 0.00 N ATOM 166 CA GLY A 13 -11.405 -5.209 5.583 1.00 0.00 C ATOM 167 C GLY A 13 -11.787 -4.008 4.756 1.00 0.00 C ATOM 168 O GLY A 13 -10.931 -3.230 4.329 1.00 0.00 O ATOM 0 H GLY A 13 -9.775 -5.454 4.319 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -12.125 -6.010 5.416 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -11.454 -4.952 6.641 1.00 0.00 H new ATOM 172 N LYS A 14 -13.070 -3.885 4.498 1.00 0.00 N ATOM 173 CA LYS A 14 -13.604 -2.755 3.751 1.00 0.00 C ATOM 174 C LYS A 14 -13.444 -1.477 4.567 1.00 0.00 C ATOM 175 O LYS A 14 -14.146 -1.271 5.557 1.00 0.00 O ATOM 176 CB LYS A 14 -15.071 -2.992 3.391 1.00 0.00 C ATOM 177 CG LYS A 14 -15.259 -3.582 2.002 1.00 0.00 C ATOM 178 CD LYS A 14 -16.727 -3.681 1.626 1.00 0.00 C ATOM 179 CE LYS A 14 -17.164 -5.128 1.473 1.00 0.00 C ATOM 180 NZ LYS A 14 -18.146 -5.303 0.371 1.00 0.00 N ATOM 0 H LYS A 14 -13.775 -4.559 4.796 1.00 0.00 H new ATOM 0 HA LYS A 14 -13.046 -2.649 2.821 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -15.515 -3.662 4.127 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -15.611 -2.047 3.454 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -14.737 -2.964 1.271 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -14.806 -4.573 1.963 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -17.333 -3.195 2.390 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -16.902 -3.146 0.693 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -16.291 -5.752 1.282 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -17.604 -5.474 2.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -18.416 -6.305 0.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -18.991 -4.729 0.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -17.719 -4.998 -0.527 1.00 0.00 H new ATOM 194 N ILE A 15 -12.392 -0.731 4.243 1.00 0.00 N ATOM 195 CA ILE A 15 -11.987 0.443 5.013 1.00 0.00 C ATOM 196 C ILE A 15 -13.148 1.408 5.241 1.00 0.00 C ATOM 197 O ILE A 15 -13.639 1.539 6.365 1.00 0.00 O ATOM 198 CB ILE A 15 -10.841 1.193 4.307 1.00 0.00 C ATOM 199 CG1 ILE A 15 -9.879 0.197 3.650 1.00 0.00 C ATOM 200 CG2 ILE A 15 -10.106 2.088 5.290 1.00 0.00 C ATOM 201 CD1 ILE A 15 -8.726 0.845 2.916 1.00 0.00 C ATOM 0 H ILE A 15 -11.795 -0.923 3.439 1.00 0.00 H new ATOM 0 HA ILE A 15 -11.646 0.077 5.982 1.00 0.00 H new ATOM 0 HB ILE A 15 -11.265 1.824 3.526 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -9.480 -0.467 4.417 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -10.438 -0.424 2.950 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -9.300 2.610 4.774 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -10.801 2.816 5.709 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -9.689 1.481 6.094 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -8.092 0.073 2.480 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -9.113 1.487 2.124 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -8.141 1.443 3.614 1.00 0.00 H new ATOM 212 N ALA A 16 -13.551 2.106 4.177 1.00 0.00 N ATOM 213 CA ALA A 16 -14.646 3.080 4.238 1.00 0.00 C ATOM 214 C ALA A 16 -14.348 4.208 5.228 1.00 0.00 C ATOM 215 O ALA A 16 -15.245 4.936 5.652 1.00 0.00 O ATOM 216 CB ALA A 16 -15.956 2.385 4.588 1.00 0.00 C ATOM 0 H ALA A 16 -13.131 2.014 3.252 1.00 0.00 H new ATOM 0 HA ALA A 16 -14.742 3.533 3.251 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -16.759 3.121 4.629 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -16.187 1.639 3.827 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -15.861 1.897 5.558 1.00 0.00 H new ATOM 222 N ASP A 17 -13.075 4.364 5.569 1.00 0.00 N ATOM 223 CA ASP A 17 -12.649 5.409 6.491 1.00 0.00 C ATOM 224 C ASP A 17 -12.415 6.707 5.739 1.00 0.00 C ATOM 225 O ASP A 17 -12.205 6.696 4.528 1.00 0.00 O ATOM 226 CB ASP A 17 -11.365 4.994 7.214 1.00 0.00 C ATOM 227 CG ASP A 17 -11.626 4.233 8.502 1.00 0.00 C ATOM 228 OD1 ASP A 17 -12.497 4.655 9.297 1.00 0.00 O ATOM 229 OD2 ASP A 17 -10.950 3.206 8.731 1.00 0.00 O ATOM 0 H ASP A 17 -12.317 3.778 5.219 1.00 0.00 H new ATOM 0 HA ASP A 17 -13.437 5.559 7.229 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -10.764 4.374 6.548 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.777 5.884 7.438 1.00 0.00 H new ATOM 234 N ARG A 18 -12.380 7.812 6.467 1.00 0.00 N ATOM 235 CA ARG A 18 -12.100 9.118 5.878 1.00 0.00 C ATOM 236 C ARG A 18 -10.599 9.326 5.756 1.00 0.00 C ATOM 237 O ARG A 18 -10.157 10.362 5.302 1.00 0.00 O ATOM 238 CB ARG A 18 -12.740 10.226 6.733 1.00 0.00 C ATOM 239 CG ARG A 18 -12.493 11.643 6.227 1.00 0.00 C ATOM 240 CD ARG A 18 -13.646 12.170 5.385 1.00 0.00 C ATOM 241 NE ARG A 18 -14.230 11.144 4.523 1.00 0.00 N ATOM 242 CZ ARG A 18 -14.212 11.187 3.188 1.00 0.00 C ATOM 243 NH1 ARG A 18 -13.623 12.197 2.553 1.00 0.00 N ATOM 244 NH2 ARG A 18 -14.773 10.207 2.490 1.00 0.00 N ATOM 0 H ARG A 18 -12.543 7.833 7.474 1.00 0.00 H new ATOM 0 HA ARG A 18 -12.532 9.161 4.878 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -13.815 10.054 6.781 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -12.359 10.147 7.751 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -12.335 12.307 7.077 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -11.578 11.660 5.635 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -14.418 12.569 6.043 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -13.293 12.998 4.770 1.00 0.00 H new ATOM 0 HE ARG A 18 -14.680 10.345 4.969 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -13.181 12.946 3.086 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -13.614 12.222 1.533 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -15.215 9.425 2.973 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -14.762 10.236 1.470 1.00 0.00 H new ATOM 258 N PHE A 19 -9.822 8.289 6.022 1.00 0.00 N ATOM 259 CA PHE A 19 -8.379 8.365 5.840 1.00 0.00 C ATOM 260 C PHE A 19 -7.794 6.989 5.562 1.00 0.00 C ATOM 261 O PHE A 19 -7.768 6.127 6.441 1.00 0.00 O ATOM 262 CB PHE A 19 -7.719 8.989 7.073 1.00 0.00 C ATOM 263 CG PHE A 19 -7.820 10.491 7.099 1.00 0.00 C ATOM 264 CD1 PHE A 19 -7.653 11.230 5.935 1.00 0.00 C ATOM 265 CD2 PHE A 19 -8.124 11.160 8.271 1.00 0.00 C ATOM 266 CE1 PHE A 19 -7.780 12.599 5.944 1.00 0.00 C ATOM 267 CE2 PHE A 19 -8.257 12.535 8.282 1.00 0.00 C ATOM 268 CZ PHE A 19 -8.085 13.254 7.115 1.00 0.00 C ATOM 0 H PHE A 19 -10.162 7.390 6.363 1.00 0.00 H new ATOM 0 HA PHE A 19 -8.177 9.000 4.977 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -8.184 8.584 7.971 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -6.668 8.701 7.101 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -7.420 10.723 5.010 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -8.259 10.602 9.186 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.640 13.160 5.032 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -8.495 13.047 9.202 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.190 14.329 7.122 1.00 0.00 H new ATOM 278 N LEU A 20 -7.307 6.796 4.341 1.00 0.00 N ATOM 279 CA LEU A 20 -6.688 5.542 3.951 1.00 0.00 C ATOM 280 C LEU A 20 -5.726 5.777 2.801 1.00 0.00 C ATOM 281 O LEU A 20 -5.958 6.630 1.950 1.00 0.00 O ATOM 282 CB LEU A 20 -7.747 4.510 3.553 1.00 0.00 C ATOM 283 CG LEU A 20 -8.346 4.685 2.155 1.00 0.00 C ATOM 284 CD1 LEU A 20 -7.605 3.832 1.137 1.00 0.00 C ATOM 285 CD2 LEU A 20 -9.814 4.323 2.167 1.00 0.00 C ATOM 0 H LEU A 20 -7.331 7.499 3.603 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.136 5.149 4.805 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -7.303 3.517 3.617 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -8.556 4.545 4.283 1.00 0.00 H new ATOM 0 HG LEU A 20 -8.240 5.731 1.867 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.049 3.974 0.152 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -6.556 4.128 1.108 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -7.678 2.782 1.420 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -10.229 4.452 1.167 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -9.930 3.285 2.477 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -10.343 4.972 2.865 1.00 0.00 H new ATOM 297 N LEU A 21 -4.653 5.023 2.781 1.00 0.00 N ATOM 298 CA LEU A 21 -3.655 5.148 1.740 1.00 0.00 C ATOM 299 C LEU A 21 -3.932 4.181 0.602 1.00 0.00 C ATOM 300 O LEU A 21 -4.227 3.016 0.832 1.00 0.00 O ATOM 301 CB LEU A 21 -2.269 4.870 2.313 1.00 0.00 C ATOM 302 CG LEU A 21 -1.156 5.742 1.744 1.00 0.00 C ATOM 303 CD1 LEU A 21 -0.266 6.262 2.857 1.00 0.00 C ATOM 304 CD2 LEU A 21 -0.346 4.955 0.730 1.00 0.00 C ATOM 0 H LEU A 21 -4.446 4.309 3.480 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.696 6.166 1.352 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.303 5.008 3.394 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.020 3.824 2.133 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.603 6.599 1.241 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.523 6.883 2.432 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.861 6.856 3.551 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.180 5.422 3.389 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.447 5.586 0.329 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.094 4.083 1.214 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.997 4.630 -0.082 1.00 0.00 H new ATOM 316 N TYR A 22 -3.688 4.618 -0.617 1.00 0.00 N ATOM 317 CA TYR A 22 -3.748 3.713 -1.756 1.00 0.00 C ATOM 318 C TYR A 22 -2.344 3.555 -2.332 1.00 0.00 C ATOM 319 O TYR A 22 -1.651 4.546 -2.559 1.00 0.00 O ATOM 320 CB TYR A 22 -4.711 4.204 -2.854 1.00 0.00 C ATOM 321 CG TYR A 22 -6.000 4.854 -2.363 1.00 0.00 C ATOM 322 CD1 TYR A 22 -6.002 6.087 -1.716 1.00 0.00 C ATOM 323 CD2 TYR A 22 -7.223 4.233 -2.575 1.00 0.00 C ATOM 324 CE1 TYR A 22 -7.185 6.671 -1.295 1.00 0.00 C ATOM 325 CE2 TYR A 22 -8.404 4.808 -2.159 1.00 0.00 C ATOM 326 CZ TYR A 22 -8.382 6.025 -1.522 1.00 0.00 C ATOM 327 OH TYR A 22 -9.563 6.595 -1.108 1.00 0.00 O ATOM 0 H TYR A 22 -3.449 5.582 -0.847 1.00 0.00 H new ATOM 0 HA TYR A 22 -4.133 2.756 -1.404 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -4.181 4.920 -3.482 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -4.972 3.356 -3.488 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -5.066 6.596 -1.540 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -7.250 3.277 -3.077 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -7.170 7.627 -0.792 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -9.343 4.304 -2.333 1.00 0.00 H new ATOM 0 HH TYR A 22 -9.436 7.559 -0.986 1.00 0.00 H new ATOM 337 N ALA A 23 -1.896 2.319 -2.492 1.00 0.00 N ATOM 338 CA ALA A 23 -0.546 2.061 -2.975 1.00 0.00 C ATOM 339 C ALA A 23 -0.483 0.752 -3.747 1.00 0.00 C ATOM 340 O ALA A 23 -1.093 -0.239 -3.344 1.00 0.00 O ATOM 341 CB ALA A 23 0.438 2.038 -1.813 1.00 0.00 C ATOM 0 H ALA A 23 -2.444 1.481 -2.296 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.270 2.868 -3.653 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.442 1.844 -2.190 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.422 3.001 -1.303 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.156 1.252 -1.113 1.00 0.00 H new ATOM 347 N MET A 24 0.204 0.782 -4.889 1.00 0.00 N ATOM 348 CA MET A 24 0.330 -0.384 -5.767 1.00 0.00 C ATOM 349 C MET A 24 -1.035 -0.812 -6.291 1.00 0.00 C ATOM 350 O MET A 24 -1.305 -2.003 -6.466 1.00 0.00 O ATOM 351 CB MET A 24 1.011 -1.548 -5.039 1.00 0.00 C ATOM 352 CG MET A 24 2.481 -1.705 -5.384 1.00 0.00 C ATOM 353 SD MET A 24 2.762 -2.972 -6.634 1.00 0.00 S ATOM 354 CE MET A 24 2.357 -4.453 -5.712 1.00 0.00 C ATOM 0 H MET A 24 0.688 1.612 -5.232 1.00 0.00 H new ATOM 0 HA MET A 24 0.954 -0.100 -6.615 1.00 0.00 H new ATOM 0 HB2 MET A 24 0.913 -1.400 -3.964 1.00 0.00 H new ATOM 0 HB3 MET A 24 0.489 -2.473 -5.283 1.00 0.00 H new ATOM 0 HG2 MET A 24 2.871 -0.752 -5.742 1.00 0.00 H new ATOM 0 HG3 MET A 24 3.038 -1.959 -4.482 1.00 0.00 H new ATOM 0 HE1 MET A 24 2.863 -5.309 -6.158 1.00 0.00 H new ATOM 0 HE2 MET A 24 2.682 -4.338 -4.678 1.00 0.00 H new ATOM 0 HE3 MET A 24 1.279 -4.614 -5.738 1.00 0.00 H new ATOM 364 N ASP A 25 -1.910 0.176 -6.463 1.00 0.00 N ATOM 365 CA ASP A 25 -3.286 -0.039 -6.911 1.00 0.00 C ATOM 366 C ASP A 25 -4.074 -0.903 -5.930 1.00 0.00 C ATOM 367 O ASP A 25 -5.217 -1.268 -6.192 1.00 0.00 O ATOM 368 CB ASP A 25 -3.327 -0.637 -8.322 1.00 0.00 C ATOM 369 CG ASP A 25 -3.634 0.414 -9.371 1.00 0.00 C ATOM 370 OD1 ASP A 25 -3.300 1.599 -9.145 1.00 0.00 O ATOM 371 OD2 ASP A 25 -4.221 0.070 -10.419 1.00 0.00 O ATOM 0 H ASP A 25 -1.684 1.156 -6.294 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.766 0.939 -6.945 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.368 -1.105 -8.546 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.082 -1.422 -8.362 1.00 0.00 H new ATOM 376 N SER A 26 -3.519 -1.080 -4.742 1.00 0.00 N ATOM 377 CA SER A 26 -4.230 -1.722 -3.652 1.00 0.00 C ATOM 378 C SER A 26 -4.536 -0.681 -2.587 1.00 0.00 C ATOM 379 O SER A 26 -3.873 0.356 -2.523 1.00 0.00 O ATOM 380 CB SER A 26 -3.399 -2.863 -3.061 1.00 0.00 C ATOM 381 OG SER A 26 -2.494 -3.389 -4.020 1.00 0.00 O ATOM 0 H SER A 26 -2.571 -0.785 -4.509 1.00 0.00 H new ATOM 0 HA SER A 26 -5.160 -2.149 -4.027 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.845 -2.502 -2.194 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.061 -3.654 -2.709 1.00 0.00 H new ATOM 0 HG SER A 26 -1.975 -4.115 -3.616 1.00 0.00 H new ATOM 387 N TYR A 27 -5.592 -0.896 -1.828 1.00 0.00 N ATOM 388 CA TYR A 27 -6.013 0.082 -0.837 1.00 0.00 C ATOM 389 C TYR A 27 -5.591 -0.374 0.554 1.00 0.00 C ATOM 390 O TYR A 27 -5.493 -1.571 0.811 1.00 0.00 O ATOM 391 CB TYR A 27 -7.526 0.315 -0.929 1.00 0.00 C ATOM 392 CG TYR A 27 -8.000 0.716 -2.323 1.00 0.00 C ATOM 393 CD1 TYR A 27 -7.102 1.152 -3.295 1.00 0.00 C ATOM 394 CD2 TYR A 27 -9.342 0.653 -2.666 1.00 0.00 C ATOM 395 CE1 TYR A 27 -7.531 1.509 -4.558 1.00 0.00 C ATOM 396 CE2 TYR A 27 -9.778 1.009 -3.928 1.00 0.00 C ATOM 397 CZ TYR A 27 -8.868 1.434 -4.869 1.00 0.00 C ATOM 398 OH TYR A 27 -9.299 1.789 -6.127 1.00 0.00 O ATOM 0 H TYR A 27 -6.173 -1.733 -1.875 1.00 0.00 H new ATOM 0 HA TYR A 27 -5.524 1.036 -1.037 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -8.044 -0.595 -0.626 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -7.809 1.094 -0.221 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.050 1.212 -3.056 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -10.061 0.319 -1.932 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -6.820 1.845 -5.298 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -10.828 0.954 -4.175 1.00 0.00 H new ATOM 0 HH TYR A 27 -10.271 1.678 -6.183 1.00 0.00 H new ATOM 408 N TRP A 28 -5.137 0.572 1.362 1.00 0.00 N ATOM 409 CA TRP A 28 -4.519 0.269 2.651 1.00 0.00 C ATOM 410 C TRP A 28 -4.988 1.259 3.711 1.00 0.00 C ATOM 411 O TRP A 28 -5.572 2.289 3.386 1.00 0.00 O ATOM 412 CB TRP A 28 -2.988 0.395 2.561 1.00 0.00 C ATOM 413 CG TRP A 28 -2.315 -0.472 1.535 1.00 0.00 C ATOM 414 CD1 TRP A 28 -2.352 -0.322 0.179 1.00 0.00 C ATOM 415 CD2 TRP A 28 -1.459 -1.588 1.791 1.00 0.00 C ATOM 416 NE1 TRP A 28 -1.586 -1.288 -0.423 1.00 0.00 N ATOM 417 CE2 TRP A 28 -1.024 -2.076 0.545 1.00 0.00 C ATOM 418 CE3 TRP A 28 -1.017 -2.224 2.954 1.00 0.00 C ATOM 419 CZ2 TRP A 28 -0.175 -3.172 0.431 1.00 0.00 C ATOM 420 CZ3 TRP A 28 -0.174 -3.311 2.839 1.00 0.00 C ATOM 421 CH2 TRP A 28 0.243 -3.773 1.587 1.00 0.00 C ATOM 0 H TRP A 28 -5.184 1.568 1.147 1.00 0.00 H new ATOM 0 HA TRP A 28 -4.806 -0.749 2.917 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -2.741 1.435 2.347 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -2.566 0.161 3.538 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -2.904 0.445 -0.344 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -1.456 -1.401 -1.428 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -1.329 -1.871 3.926 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 0.143 -3.535 -0.535 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 0.169 -3.813 3.731 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.909 -4.622 1.531 1.00 0.00 H new ATOM 432 N HIS A 29 -4.466 1.091 4.916 1.00 0.00 N ATOM 433 CA HIS A 29 -4.566 2.130 5.928 1.00 0.00 C ATOM 434 C HIS A 29 -3.245 2.876 5.971 1.00 0.00 C ATOM 435 O HIS A 29 -2.231 2.369 5.482 1.00 0.00 O ATOM 436 CB HIS A 29 -4.862 1.542 7.307 1.00 0.00 C ATOM 437 CG HIS A 29 -6.311 1.294 7.575 1.00 0.00 C ATOM 438 ND1 HIS A 29 -6.810 0.024 7.657 1.00 0.00 N ATOM 439 CD2 HIS A 29 -7.315 2.176 7.796 1.00 0.00 C ATOM 440 CE1 HIS A 29 -8.095 0.142 7.925 1.00 0.00 C ATOM 441 NE2 HIS A 29 -8.451 1.435 8.020 1.00 0.00 N ATOM 0 H HIS A 29 -3.972 0.250 5.216 1.00 0.00 H new ATOM 0 HA HIS A 29 -5.387 2.799 5.670 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -4.320 0.602 7.412 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -4.475 2.220 8.068 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -7.238 3.253 7.796 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -8.772 -0.690 8.052 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -9.384 1.796 8.220 1.00 0.00 H new ATOM 449 N SER A 30 -3.247 4.057 6.567 1.00 0.00 N ATOM 450 CA SER A 30 -2.039 4.855 6.676 1.00 0.00 C ATOM 451 C SER A 30 -0.943 4.092 7.423 1.00 0.00 C ATOM 452 O SER A 30 0.218 4.083 7.009 1.00 0.00 O ATOM 453 CB SER A 30 -2.361 6.166 7.390 1.00 0.00 C ATOM 454 OG SER A 30 -3.758 6.426 7.355 1.00 0.00 O ATOM 0 H SER A 30 -4.074 4.484 6.983 1.00 0.00 H new ATOM 0 HA SER A 30 -1.667 5.071 5.674 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.021 6.116 8.424 1.00 0.00 H new ATOM 0 HB3 SER A 30 -1.821 6.986 6.917 1.00 0.00 H new ATOM 0 HG SER A 30 -3.946 7.269 7.819 1.00 0.00 H new ATOM 460 N ARG A 31 -1.320 3.432 8.513 1.00 0.00 N ATOM 461 CA ARG A 31 -0.358 2.690 9.317 1.00 0.00 C ATOM 462 C ARG A 31 -0.314 1.213 8.928 1.00 0.00 C ATOM 463 O ARG A 31 0.506 0.459 9.446 1.00 0.00 O ATOM 464 CB ARG A 31 -0.684 2.826 10.804 1.00 0.00 C ATOM 465 CG ARG A 31 0.543 2.749 11.696 1.00 0.00 C ATOM 466 CD ARG A 31 0.431 3.688 12.883 1.00 0.00 C ATOM 467 NE ARG A 31 0.428 5.092 12.480 1.00 0.00 N ATOM 468 CZ ARG A 31 1.486 5.896 12.579 1.00 0.00 C ATOM 469 NH1 ARG A 31 2.669 5.401 12.926 1.00 0.00 N ATOM 470 NH2 ARG A 31 1.372 7.184 12.284 1.00 0.00 N ATOM 0 H ARG A 31 -2.279 3.396 8.858 1.00 0.00 H new ATOM 0 HA ARG A 31 0.625 3.119 9.123 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.189 3.777 10.973 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -1.382 2.039 11.089 1.00 0.00 H new ATOM 0 HG2 ARG A 31 0.672 1.727 12.051 1.00 0.00 H new ATOM 0 HG3 ARG A 31 1.431 2.999 11.116 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.484 3.468 13.433 1.00 0.00 H new ATOM 0 HD3 ARG A 31 1.263 3.510 13.565 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.435 5.480 12.100 1.00 0.00 H new ATOM 0 HH11 ARG A 31 2.768 4.404 13.117 1.00 0.00 H new ATOM 0 HH12 ARG A 31 3.478 6.018 13.001 1.00 0.00 H new ATOM 0 HH21 ARG A 31 0.474 7.560 11.981 1.00 0.00 H new ATOM 0 HH22 ARG A 31 2.183 7.798 12.360 1.00 0.00 H new ATOM 484 N CYS A 32 -1.176 0.800 8.009 1.00 0.00 N ATOM 485 CA CYS A 32 -1.187 -0.587 7.564 1.00 0.00 C ATOM 486 C CYS A 32 -0.152 -0.811 6.467 1.00 0.00 C ATOM 487 O CYS A 32 0.547 -1.825 6.465 1.00 0.00 O ATOM 488 CB CYS A 32 -2.573 -0.986 7.074 1.00 0.00 C ATOM 489 SG CYS A 32 -3.732 -1.439 8.408 1.00 0.00 S ATOM 0 H CYS A 32 -1.870 1.398 7.561 1.00 0.00 H new ATOM 0 HA CYS A 32 -0.928 -1.216 8.416 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -2.997 -0.159 6.504 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -2.476 -1.829 6.390 1.00 0.00 H new ATOM 0 HG CYS A 32 -4.912 -0.965 8.138 1.00 0.00 H new ATOM 494 N LEU A 33 -0.009 0.167 5.577 1.00 0.00 N ATOM 495 CA LEU A 33 1.019 0.105 4.547 1.00 0.00 C ATOM 496 C LEU A 33 2.392 0.118 5.207 1.00 0.00 C ATOM 497 O LEU A 33 3.134 -0.859 5.114 1.00 0.00 O ATOM 498 CB LEU A 33 0.887 1.278 3.576 1.00 0.00 C ATOM 499 CG LEU A 33 1.947 1.326 2.472 1.00 0.00 C ATOM 500 CD1 LEU A 33 1.601 0.356 1.355 1.00 0.00 C ATOM 501 CD2 LEU A 33 2.086 2.734 1.925 1.00 0.00 C ATOM 0 H LEU A 33 -0.589 1.006 5.549 1.00 0.00 H new ATOM 0 HA LEU A 33 0.896 -0.817 3.978 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.098 1.237 3.112 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.933 2.207 4.144 1.00 0.00 H new ATOM 0 HG LEU A 33 2.902 1.028 2.904 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.366 0.405 0.580 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.554 -0.657 1.755 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.634 0.623 0.928 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.844 2.747 1.142 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.131 3.060 1.512 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.383 3.409 2.728 1.00 0.00 H new ATOM 513 N LYS A 34 2.611 1.158 6.020 1.00 0.00 N ATOM 514 CA LYS A 34 3.790 1.307 6.894 1.00 0.00 C ATOM 515 C LYS A 34 5.109 0.914 6.256 1.00 0.00 C ATOM 516 O LYS A 34 5.233 0.721 5.044 1.00 0.00 O ATOM 517 CB LYS A 34 3.603 0.556 8.232 1.00 0.00 C ATOM 518 CG LYS A 34 3.121 -0.884 8.110 1.00 0.00 C ATOM 519 CD LYS A 34 4.277 -1.871 8.132 1.00 0.00 C ATOM 520 CE LYS A 34 4.026 -3.054 7.210 1.00 0.00 C ATOM 521 NZ LYS A 34 2.614 -3.518 7.273 1.00 0.00 N ATOM 0 H LYS A 34 1.960 1.940 6.093 1.00 0.00 H new ATOM 0 HA LYS A 34 3.854 2.379 7.081 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.553 0.560 8.767 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.890 1.109 8.844 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.436 -1.108 8.928 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.560 -1.002 7.183 1.00 0.00 H new ATOM 0 HD2 LYS A 34 5.194 -1.364 7.832 1.00 0.00 H new ATOM 0 HD3 LYS A 34 4.430 -2.229 9.150 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.270 -2.774 6.185 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.690 -3.874 7.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.548 -4.481 6.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.293 -3.519 8.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.013 -2.879 6.714 1.00 0.00 H new ATOM 535 N CYS A 35 6.118 1.038 7.079 1.00 0.00 N ATOM 536 CA CYS A 35 7.482 0.886 6.674 1.00 0.00 C ATOM 537 C CYS A 35 7.893 -0.583 6.669 1.00 0.00 C ATOM 538 O CYS A 35 7.228 -1.426 7.274 1.00 0.00 O ATOM 539 CB CYS A 35 8.333 1.633 7.672 1.00 0.00 C ATOM 540 SG CYS A 35 8.601 3.393 7.313 1.00 0.00 S ATOM 0 H CYS A 35 6.006 1.252 8.070 1.00 0.00 H new ATOM 0 HA CYS A 35 7.611 1.275 5.664 1.00 0.00 H new ATOM 0 HB2 CYS A 35 7.869 1.548 8.654 1.00 0.00 H new ATOM 0 HB3 CYS A 35 9.304 1.141 7.735 1.00 0.00 H new ATOM 0 HG CYS A 35 9.549 3.517 6.432 1.00 0.00 H new ATOM 545 N SER A 36 9.060 -0.854 6.113 1.00 0.00 N ATOM 546 CA SER A 36 9.618 -2.190 6.140 1.00 0.00 C ATOM 547 C SER A 36 10.487 -2.385 7.382 1.00 0.00 C ATOM 548 O SER A 36 10.350 -3.377 8.098 1.00 0.00 O ATOM 549 CB SER A 36 10.433 -2.412 4.875 1.00 0.00 C ATOM 550 OG SER A 36 10.298 -1.301 4.008 1.00 0.00 O ATOM 0 H SER A 36 9.640 -0.163 5.636 1.00 0.00 H new ATOM 0 HA SER A 36 8.809 -2.920 6.182 1.00 0.00 H new ATOM 0 HB2 SER A 36 11.483 -2.558 5.130 1.00 0.00 H new ATOM 0 HB3 SER A 36 10.098 -3.319 4.372 1.00 0.00 H new ATOM 0 HG SER A 36 9.509 -1.423 3.440 1.00 0.00 H new ATOM 556 N SER A 37 11.387 -1.440 7.628 1.00 0.00 N ATOM 557 CA SER A 37 12.305 -1.539 8.752 1.00 0.00 C ATOM 558 C SER A 37 11.965 -0.534 9.857 1.00 0.00 C ATOM 559 O SER A 37 11.897 -0.905 11.027 1.00 0.00 O ATOM 560 CB SER A 37 13.743 -1.336 8.266 1.00 0.00 C ATOM 561 OG SER A 37 13.868 -1.679 6.894 1.00 0.00 O ATOM 0 H SER A 37 11.499 -0.598 7.064 1.00 0.00 H new ATOM 0 HA SER A 37 12.205 -2.536 9.181 1.00 0.00 H new ATOM 0 HB2 SER A 37 14.037 -0.297 8.413 1.00 0.00 H new ATOM 0 HB3 SER A 37 14.422 -1.947 8.861 1.00 0.00 H new ATOM 0 HG SER A 37 13.613 -0.912 6.340 1.00 0.00 H new ATOM 567 N CYS A 38 11.812 0.742 9.496 1.00 0.00 N ATOM 568 CA CYS A 38 11.563 1.795 10.482 1.00 0.00 C ATOM 569 C CYS A 38 10.227 1.601 11.205 1.00 0.00 C ATOM 570 O CYS A 38 10.088 1.965 12.376 1.00 0.00 O ATOM 571 CB CYS A 38 11.586 3.160 9.795 1.00 0.00 C ATOM 572 SG CYS A 38 12.399 3.154 8.162 1.00 0.00 S ATOM 0 H CYS A 38 11.856 1.070 8.531 1.00 0.00 H new ATOM 0 HA CYS A 38 12.353 1.741 11.231 1.00 0.00 H new ATOM 0 HB2 CYS A 38 10.562 3.514 9.678 1.00 0.00 H new ATOM 0 HB3 CYS A 38 12.098 3.872 10.442 1.00 0.00 H new ATOM 0 HG CYS A 38 11.500 3.035 7.230 1.00 0.00 H new ATOM 577 N GLN A 39 9.244 1.092 10.472 1.00 0.00 N ATOM 578 CA GLN A 39 7.890 0.891 10.986 1.00 0.00 C ATOM 579 C GLN A 39 7.220 2.212 11.352 1.00 0.00 C ATOM 580 O GLN A 39 6.452 2.285 12.313 1.00 0.00 O ATOM 581 CB GLN A 39 7.884 -0.054 12.191 1.00 0.00 C ATOM 582 CG GLN A 39 7.451 -1.467 11.849 1.00 0.00 C ATOM 583 CD GLN A 39 8.538 -2.265 11.165 1.00 0.00 C ATOM 584 OE1 GLN A 39 9.498 -2.696 11.802 1.00 0.00 O ATOM 585 NE2 GLN A 39 8.384 -2.483 9.866 1.00 0.00 N ATOM 0 H GLN A 39 9.362 0.805 9.500 1.00 0.00 H new ATOM 0 HA GLN A 39 7.315 0.431 10.182 1.00 0.00 H new ATOM 0 HB2 GLN A 39 8.884 -0.084 12.625 1.00 0.00 H new ATOM 0 HB3 GLN A 39 7.217 0.347 12.954 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.150 -1.981 12.762 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.575 -1.427 11.202 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.571 -2.106 9.378 1.00 0.00 H new ATOM 0 HE22 GLN A 39 9.078 -3.028 9.355 1.00 0.00 H new ATOM 594 N ALA A 40 7.428 3.226 10.526 1.00 0.00 N ATOM 595 CA ALA A 40 6.753 4.487 10.700 1.00 0.00 C ATOM 596 C ALA A 40 5.555 4.559 9.763 1.00 0.00 C ATOM 597 O ALA A 40 5.109 3.543 9.225 1.00 0.00 O ATOM 598 CB ALA A 40 7.716 5.638 10.443 1.00 0.00 C ATOM 0 H ALA A 40 8.063 3.192 9.728 1.00 0.00 H new ATOM 0 HA ALA A 40 6.397 4.569 11.727 1.00 0.00 H new ATOM 0 HB1 ALA A 40 7.194 6.586 10.577 1.00 0.00 H new ATOM 0 HB2 ALA A 40 8.549 5.579 11.144 1.00 0.00 H new ATOM 0 HB3 ALA A 40 8.095 5.574 9.423 1.00 0.00 H new ATOM 604 N GLN A 41 5.068 5.759 9.531 1.00 0.00 N ATOM 605 CA GLN A 41 3.963 5.962 8.613 1.00 0.00 C ATOM 606 C GLN A 41 4.482 6.465 7.273 1.00 0.00 C ATOM 607 O GLN A 41 5.211 7.457 7.213 1.00 0.00 O ATOM 608 CB GLN A 41 2.955 6.941 9.205 1.00 0.00 C ATOM 609 CG GLN A 41 1.509 6.576 8.914 1.00 0.00 C ATOM 610 CD GLN A 41 0.901 7.443 7.833 1.00 0.00 C ATOM 611 OE1 GLN A 41 1.114 7.210 6.645 1.00 0.00 O ATOM 612 NE2 GLN A 41 0.139 8.446 8.235 1.00 0.00 N ATOM 0 H GLN A 41 5.420 6.612 9.966 1.00 0.00 H new ATOM 0 HA GLN A 41 3.458 5.010 8.452 1.00 0.00 H new ATOM 0 HB2 GLN A 41 3.099 6.989 10.284 1.00 0.00 H new ATOM 0 HB3 GLN A 41 3.155 7.938 8.812 1.00 0.00 H new ATOM 0 HG2 GLN A 41 1.455 5.531 8.610 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.922 6.673 9.827 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -0.012 8.604 9.231 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -0.298 9.061 7.549 1.00 0.00 H new ATOM 621 N LEU A 42 4.188 5.716 6.222 1.00 0.00 N ATOM 622 CA LEU A 42 4.715 6.002 4.890 1.00 0.00 C ATOM 623 C LEU A 42 4.238 7.355 4.363 1.00 0.00 C ATOM 624 O LEU A 42 4.956 8.027 3.626 1.00 0.00 O ATOM 625 CB LEU A 42 4.304 4.888 3.922 1.00 0.00 C ATOM 626 CG LEU A 42 5.323 3.757 3.723 1.00 0.00 C ATOM 627 CD1 LEU A 42 5.799 3.712 2.283 1.00 0.00 C ATOM 628 CD2 LEU A 42 6.505 3.912 4.666 1.00 0.00 C ATOM 0 H LEU A 42 3.582 4.897 6.264 1.00 0.00 H new ATOM 0 HA LEU A 42 5.802 6.046 4.965 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.371 4.451 4.278 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.095 5.337 2.951 1.00 0.00 H new ATOM 0 HG LEU A 42 4.825 2.815 3.955 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.520 2.904 2.163 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.948 3.540 1.624 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.271 4.660 2.026 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.210 3.097 4.503 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.000 4.864 4.475 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.153 3.886 5.697 1.00 0.00 H new ATOM 640 N GLY A 43 3.021 7.745 4.728 1.00 0.00 N ATOM 641 CA GLY A 43 2.466 9.001 4.251 1.00 0.00 C ATOM 642 C GLY A 43 2.662 10.137 5.233 1.00 0.00 C ATOM 643 O GLY A 43 2.290 11.278 4.964 1.00 0.00 O ATOM 0 H GLY A 43 2.408 7.214 5.346 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.933 9.262 3.301 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.401 8.873 4.058 1.00 0.00 H new ATOM 647 N ASP A 44 3.251 9.829 6.377 1.00 0.00 N ATOM 648 CA ASP A 44 3.498 10.839 7.403 1.00 0.00 C ATOM 649 C ASP A 44 4.807 11.563 7.127 1.00 0.00 C ATOM 650 O ASP A 44 4.978 12.731 7.474 1.00 0.00 O ATOM 651 CB ASP A 44 3.539 10.192 8.788 1.00 0.00 C ATOM 652 CG ASP A 44 3.519 11.204 9.915 1.00 0.00 C ATOM 653 OD1 ASP A 44 2.720 12.159 9.852 1.00 0.00 O ATOM 654 OD2 ASP A 44 4.291 11.031 10.881 1.00 0.00 O ATOM 0 H ASP A 44 3.568 8.891 6.622 1.00 0.00 H new ATOM 0 HA ASP A 44 2.684 11.563 7.378 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.687 9.521 8.895 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.438 9.581 8.871 1.00 0.00 H new ATOM 659 N ILE A 45 5.712 10.867 6.458 1.00 0.00 N ATOM 660 CA ILE A 45 7.008 11.428 6.096 1.00 0.00 C ATOM 661 C ILE A 45 6.928 12.156 4.756 1.00 0.00 C ATOM 662 O ILE A 45 7.942 12.596 4.210 1.00 0.00 O ATOM 663 CB ILE A 45 8.084 10.323 6.015 1.00 0.00 C ATOM 664 CG1 ILE A 45 7.679 9.259 4.991 1.00 0.00 C ATOM 665 CG2 ILE A 45 8.297 9.693 7.385 1.00 0.00 C ATOM 666 CD1 ILE A 45 8.853 8.618 4.282 1.00 0.00 C ATOM 0 H ILE A 45 5.573 9.904 6.151 1.00 0.00 H new ATOM 0 HA ILE A 45 7.287 12.139 6.873 1.00 0.00 H new ATOM 0 HB ILE A 45 9.023 10.772 5.691 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.103 8.483 5.495 1.00 0.00 H new ATOM 0 HG13 ILE A 45 7.022 9.713 4.249 1.00 0.00 H new ATOM 0 HG21 ILE A 45 9.058 8.916 7.314 1.00 0.00 H new ATOM 0 HG22 ILE A 45 8.624 10.457 8.090 1.00 0.00 H new ATOM 0 HG23 ILE A 45 7.362 9.254 7.733 1.00 0.00 H new ATOM 0 HD11 ILE A 45 8.488 7.875 3.573 1.00 0.00 H new ATOM 0 HD12 ILE A 45 9.418 9.383 3.749 1.00 0.00 H new ATOM 0 HD13 ILE A 45 9.500 8.134 5.014 1.00 0.00 H new ATOM 677 N GLY A 46 5.726 12.209 4.204 1.00 0.00 N ATOM 678 CA GLY A 46 5.523 12.794 2.898 1.00 0.00 C ATOM 679 C GLY A 46 4.874 11.801 1.963 1.00 0.00 C ATOM 680 O GLY A 46 4.461 10.726 2.394 1.00 0.00 O ATOM 0 H GLY A 46 4.878 11.852 4.645 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.897 13.682 2.985 1.00 0.00 H new ATOM 0 HA3 GLY A 46 6.479 13.117 2.486 1.00 0.00 H new ATOM 684 N THR A 47 4.838 12.107 0.680 1.00 0.00 N ATOM 685 CA THR A 47 4.306 11.165 -0.284 1.00 0.00 C ATOM 686 C THR A 47 5.448 10.402 -0.943 1.00 0.00 C ATOM 687 O THR A 47 6.091 10.917 -1.853 1.00 0.00 O ATOM 688 CB THR A 47 3.495 11.902 -1.367 1.00 0.00 C ATOM 689 OG1 THR A 47 3.228 13.250 -0.946 1.00 0.00 O ATOM 690 CG2 THR A 47 2.188 11.191 -1.656 1.00 0.00 C ATOM 0 H THR A 47 5.166 12.989 0.286 1.00 0.00 H new ATOM 0 HA THR A 47 3.650 10.468 0.238 1.00 0.00 H new ATOM 0 HB THR A 47 4.088 11.913 -2.282 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.714 13.714 -1.640 1.00 0.00 H new ATOM 0 HG21 THR A 47 1.639 11.736 -2.424 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.394 10.179 -2.006 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.590 11.146 -0.746 1.00 0.00 H new ATOM 698 N SER A 48 5.682 9.170 -0.502 1.00 0.00 N ATOM 699 CA SER A 48 6.762 8.362 -1.049 1.00 0.00 C ATOM 700 C SER A 48 6.565 6.887 -0.743 1.00 0.00 C ATOM 701 O SER A 48 6.192 6.521 0.366 1.00 0.00 O ATOM 702 CB SER A 48 8.110 8.829 -0.495 1.00 0.00 C ATOM 703 OG SER A 48 8.591 9.947 -1.215 1.00 0.00 O ATOM 0 H SER A 48 5.139 8.712 0.230 1.00 0.00 H new ATOM 0 HA SER A 48 6.751 8.489 -2.131 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.005 9.088 0.559 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.833 8.015 -0.553 1.00 0.00 H new ATOM 0 HG SER A 48 9.263 9.653 -1.865 1.00 0.00 H new ATOM 709 N SER A 49 6.890 6.043 -1.710 1.00 0.00 N ATOM 710 CA SER A 49 6.811 4.605 -1.532 1.00 0.00 C ATOM 711 C SER A 49 7.628 3.902 -2.602 1.00 0.00 C ATOM 712 O SER A 49 7.528 4.234 -3.780 1.00 0.00 O ATOM 713 CB SER A 49 5.356 4.142 -1.606 1.00 0.00 C ATOM 714 OG SER A 49 4.570 5.060 -2.350 1.00 0.00 O ATOM 0 H SER A 49 7.213 6.334 -2.633 1.00 0.00 H new ATOM 0 HA SER A 49 7.214 4.353 -0.551 1.00 0.00 H new ATOM 0 HB2 SER A 49 5.307 3.156 -2.069 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.950 4.042 -0.599 1.00 0.00 H new ATOM 0 HG SER A 49 3.643 4.743 -2.386 1.00 0.00 H new ATOM 720 N TYR A 50 8.441 2.954 -2.183 1.00 0.00 N ATOM 721 CA TYR A 50 9.265 2.181 -3.095 1.00 0.00 C ATOM 722 C TYR A 50 8.783 0.739 -3.122 1.00 0.00 C ATOM 723 O TYR A 50 8.647 0.106 -2.073 1.00 0.00 O ATOM 724 CB TYR A 50 10.728 2.217 -2.653 1.00 0.00 C ATOM 725 CG TYR A 50 11.502 3.415 -3.151 1.00 0.00 C ATOM 726 CD1 TYR A 50 11.865 3.525 -4.484 1.00 0.00 C ATOM 727 CD2 TYR A 50 11.897 4.420 -2.279 1.00 0.00 C ATOM 728 CE1 TYR A 50 12.596 4.607 -4.936 1.00 0.00 C ATOM 729 CE2 TYR A 50 12.633 5.501 -2.723 1.00 0.00 C ATOM 730 CZ TYR A 50 12.979 5.590 -4.053 1.00 0.00 C ATOM 731 OH TYR A 50 13.708 6.667 -4.503 1.00 0.00 O ATOM 0 H TYR A 50 8.551 2.696 -1.202 1.00 0.00 H new ATOM 0 HA TYR A 50 9.185 2.616 -4.091 1.00 0.00 H new ATOM 0 HB2 TYR A 50 10.766 2.203 -1.564 1.00 0.00 H new ATOM 0 HB3 TYR A 50 11.222 1.310 -3.001 1.00 0.00 H new ATOM 0 HD1 TYR A 50 11.572 2.753 -5.180 1.00 0.00 H new ATOM 0 HD2 TYR A 50 11.624 4.356 -1.236 1.00 0.00 H new ATOM 0 HE1 TYR A 50 12.866 4.681 -5.979 1.00 0.00 H new ATOM 0 HE2 TYR A 50 12.936 6.273 -2.031 1.00 0.00 H new ATOM 0 HH TYR A 50 13.153 7.474 -4.470 1.00 0.00 H new ATOM 741 N THR A 51 8.546 0.216 -4.311 1.00 0.00 N ATOM 742 CA THR A 51 8.124 -1.166 -4.452 1.00 0.00 C ATOM 743 C THR A 51 9.211 -1.992 -5.124 1.00 0.00 C ATOM 744 O THR A 51 9.391 -1.930 -6.341 1.00 0.00 O ATOM 745 CB THR A 51 6.825 -1.272 -5.264 1.00 0.00 C ATOM 746 OG1 THR A 51 6.009 -0.115 -5.034 1.00 0.00 O ATOM 747 CG2 THR A 51 6.055 -2.531 -4.892 1.00 0.00 C ATOM 0 H THR A 51 8.638 0.725 -5.190 1.00 0.00 H new ATOM 0 HA THR A 51 7.942 -1.556 -3.451 1.00 0.00 H new ATOM 0 HB THR A 51 7.084 -1.327 -6.321 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.183 -0.188 -5.556 1.00 0.00 H new ATOM 0 HG21 THR A 51 5.139 -2.584 -5.480 1.00 0.00 H new ATOM 0 HG22 THR A 51 6.670 -3.407 -5.098 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.804 -2.504 -3.832 1.00 0.00 H new ATOM 755 N LYS A 52 9.943 -2.747 -4.322 1.00 0.00 N ATOM 756 CA LYS A 52 11.011 -3.601 -4.822 1.00 0.00 C ATOM 757 C LYS A 52 11.034 -4.892 -4.021 1.00 0.00 C ATOM 758 O LYS A 52 10.761 -4.872 -2.821 1.00 0.00 O ATOM 759 CB LYS A 52 12.374 -2.901 -4.721 1.00 0.00 C ATOM 760 CG LYS A 52 12.423 -1.534 -5.381 1.00 0.00 C ATOM 761 CD LYS A 52 12.993 -1.609 -6.789 1.00 0.00 C ATOM 762 CE LYS A 52 14.274 -0.804 -6.931 1.00 0.00 C ATOM 763 NZ LYS A 52 14.013 0.573 -7.432 1.00 0.00 N ATOM 0 H LYS A 52 9.816 -2.786 -3.311 1.00 0.00 H new ATOM 0 HA LYS A 52 10.821 -3.817 -5.873 1.00 0.00 H new ATOM 0 HB2 LYS A 52 12.637 -2.794 -3.669 1.00 0.00 H new ATOM 0 HB3 LYS A 52 13.132 -3.539 -5.176 1.00 0.00 H new ATOM 0 HG2 LYS A 52 11.419 -1.111 -5.417 1.00 0.00 H new ATOM 0 HG3 LYS A 52 13.031 -0.860 -4.778 1.00 0.00 H new ATOM 0 HD2 LYS A 52 13.189 -2.650 -7.045 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.253 -1.240 -7.499 1.00 0.00 H new ATOM 0 HE2 LYS A 52 14.777 -0.750 -5.966 1.00 0.00 H new ATOM 0 HE3 LYS A 52 14.951 -1.317 -7.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 14.705 1.230 -7.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 14.099 0.588 -8.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 13.052 0.865 -7.160 1.00 0.00 H new ATOM 777 N SER A 53 11.277 -6.008 -4.698 1.00 0.00 N ATOM 778 CA SER A 53 11.293 -7.325 -4.062 1.00 0.00 C ATOM 779 C SER A 53 9.915 -7.696 -3.518 1.00 0.00 C ATOM 780 O SER A 53 9.804 -8.460 -2.557 1.00 0.00 O ATOM 781 CB SER A 53 12.323 -7.349 -2.927 1.00 0.00 C ATOM 782 OG SER A 53 13.610 -6.970 -3.394 1.00 0.00 O ATOM 0 H SER A 53 11.468 -6.029 -5.700 1.00 0.00 H new ATOM 0 HA SER A 53 11.569 -8.059 -4.819 1.00 0.00 H new ATOM 0 HB2 SER A 53 12.008 -6.673 -2.132 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.370 -8.349 -2.496 1.00 0.00 H new ATOM 0 HG SER A 53 14.248 -6.992 -2.650 1.00 0.00 H new ATOM 788 N GLY A 54 8.873 -7.095 -4.088 1.00 0.00 N ATOM 789 CA GLY A 54 7.529 -7.308 -3.588 1.00 0.00 C ATOM 790 C GLY A 54 7.331 -6.673 -2.225 1.00 0.00 C ATOM 791 O GLY A 54 6.412 -7.031 -1.488 1.00 0.00 O ATOM 0 H GLY A 54 8.938 -6.465 -4.887 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.808 -6.891 -4.292 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.330 -8.378 -3.524 1.00 0.00 H new ATOM 795 N MET A 55 8.238 -5.772 -1.871 1.00 0.00 N ATOM 796 CA MET A 55 8.213 -5.117 -0.575 1.00 0.00 C ATOM 797 C MET A 55 7.683 -3.699 -0.707 1.00 0.00 C ATOM 798 O MET A 55 7.654 -3.136 -1.803 1.00 0.00 O ATOM 799 CB MET A 55 9.620 -5.080 0.031 1.00 0.00 C ATOM 800 CG MET A 55 9.766 -5.895 1.303 1.00 0.00 C ATOM 801 SD MET A 55 10.173 -7.619 0.974 1.00 0.00 S ATOM 802 CE MET A 55 11.931 -7.488 0.662 1.00 0.00 C ATOM 0 H MET A 55 9.007 -5.477 -2.473 1.00 0.00 H new ATOM 0 HA MET A 55 7.554 -5.686 0.081 1.00 0.00 H new ATOM 0 HB2 MET A 55 10.332 -5.448 -0.708 1.00 0.00 H new ATOM 0 HB3 MET A 55 9.886 -4.044 0.243 1.00 0.00 H new ATOM 0 HG2 MET A 55 10.544 -5.454 1.926 1.00 0.00 H new ATOM 0 HG3 MET A 55 8.837 -5.846 1.871 1.00 0.00 H new ATOM 0 HE1 MET A 55 12.219 -8.208 -0.104 1.00 0.00 H new ATOM 0 HE2 MET A 55 12.166 -6.480 0.319 1.00 0.00 H new ATOM 0 HE3 MET A 55 12.480 -7.696 1.580 1.00 0.00 H new ATOM 812 N ILE A 56 7.367 -3.100 0.424 1.00 0.00 N ATOM 813 CA ILE A 56 6.931 -1.714 0.467 1.00 0.00 C ATOM 814 C ILE A 56 7.831 -0.929 1.410 1.00 0.00 C ATOM 815 O ILE A 56 7.928 -1.245 2.598 1.00 0.00 O ATOM 816 CB ILE A 56 5.454 -1.587 0.916 1.00 0.00 C ATOM 817 CG1 ILE A 56 4.520 -1.999 -0.225 1.00 0.00 C ATOM 818 CG2 ILE A 56 5.141 -0.164 1.367 1.00 0.00 C ATOM 819 CD1 ILE A 56 3.761 -3.279 0.048 1.00 0.00 C ATOM 0 H ILE A 56 7.404 -3.555 1.336 1.00 0.00 H new ATOM 0 HA ILE A 56 7.002 -1.306 -0.541 1.00 0.00 H new ATOM 0 HB ILE A 56 5.296 -2.254 1.763 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.807 -1.195 -0.408 1.00 0.00 H new ATOM 0 HG13 ILE A 56 5.105 -2.120 -1.137 1.00 0.00 H new ATOM 0 HG21 ILE A 56 4.098 -0.102 1.677 1.00 0.00 H new ATOM 0 HG22 ILE A 56 5.785 0.102 2.205 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.316 0.526 0.542 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.119 -3.510 -0.802 1.00 0.00 H new ATOM 0 HD12 ILE A 56 4.467 -4.095 0.202 1.00 0.00 H new ATOM 0 HD13 ILE A 56 3.149 -3.156 0.942 1.00 0.00 H new ATOM 830 N LEU A 57 8.600 -0.013 0.845 1.00 0.00 N ATOM 831 CA LEU A 57 9.591 0.723 1.610 1.00 0.00 C ATOM 832 C LEU A 57 9.409 2.222 1.445 1.00 0.00 C ATOM 833 O LEU A 57 9.086 2.695 0.360 1.00 0.00 O ATOM 834 CB LEU A 57 11.002 0.341 1.151 1.00 0.00 C ATOM 835 CG LEU A 57 11.170 -1.098 0.671 1.00 0.00 C ATOM 836 CD1 LEU A 57 11.746 -1.125 -0.736 1.00 0.00 C ATOM 837 CD2 LEU A 57 12.059 -1.870 1.629 1.00 0.00 C ATOM 0 H LEU A 57 8.556 0.238 -0.143 1.00 0.00 H new ATOM 0 HA LEU A 57 9.458 0.464 2.660 1.00 0.00 H new ATOM 0 HB2 LEU A 57 11.297 1.012 0.344 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.693 0.513 1.976 1.00 0.00 H new ATOM 0 HG LEU A 57 10.190 -1.576 0.648 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.859 -2.159 -1.063 1.00 0.00 H new ATOM 0 HD12 LEU A 57 11.073 -0.601 -1.415 1.00 0.00 H new ATOM 0 HD13 LEU A 57 12.719 -0.634 -0.740 1.00 0.00 H new ATOM 0 HD21 LEU A 57 12.171 -2.895 1.276 1.00 0.00 H new ATOM 0 HD22 LEU A 57 13.039 -1.395 1.680 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.607 -1.876 2.621 1.00 0.00 H new ATOM 849 N CYS A 58 9.743 2.964 2.486 1.00 0.00 N ATOM 850 CA CYS A 58 9.793 4.409 2.402 1.00 0.00 C ATOM 851 C CYS A 58 11.084 4.827 1.697 1.00 0.00 C ATOM 852 O CYS A 58 11.870 3.980 1.263 1.00 0.00 O ATOM 853 CB CYS A 58 9.726 5.025 3.801 1.00 0.00 C ATOM 854 SG CYS A 58 11.250 4.825 4.774 1.00 0.00 S ATOM 0 H CYS A 58 9.984 2.586 3.402 1.00 0.00 H new ATOM 0 HA CYS A 58 8.937 4.769 1.831 1.00 0.00 H new ATOM 0 HB2 CYS A 58 9.504 6.088 3.708 1.00 0.00 H new ATOM 0 HB3 CYS A 58 8.898 4.573 4.346 1.00 0.00 H new ATOM 0 HG CYS A 58 11.249 3.658 5.347 1.00 0.00 H new ATOM 859 N ARG A 59 11.341 6.122 1.652 1.00 0.00 N ATOM 860 CA ARG A 59 12.568 6.628 1.053 1.00 0.00 C ATOM 861 C ARG A 59 13.775 6.316 1.943 1.00 0.00 C ATOM 862 O ARG A 59 14.873 6.068 1.447 1.00 0.00 O ATOM 863 CB ARG A 59 12.451 8.138 0.802 1.00 0.00 C ATOM 864 CG ARG A 59 13.750 8.805 0.374 1.00 0.00 C ATOM 865 CD ARG A 59 14.254 8.276 -0.958 1.00 0.00 C ATOM 866 NE ARG A 59 15.564 8.832 -1.296 1.00 0.00 N ATOM 867 CZ ARG A 59 15.782 9.649 -2.323 1.00 0.00 C ATOM 868 NH1 ARG A 59 14.820 9.901 -3.201 1.00 0.00 N ATOM 869 NH2 ARG A 59 16.978 10.190 -2.495 1.00 0.00 N ATOM 0 H ARG A 59 10.720 6.842 2.021 1.00 0.00 H new ATOM 0 HA ARG A 59 12.719 6.129 0.096 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.698 8.309 0.033 1.00 0.00 H new ATOM 0 HB3 ARG A 59 12.092 8.619 1.712 1.00 0.00 H new ATOM 0 HG2 ARG A 59 13.597 9.882 0.301 1.00 0.00 H new ATOM 0 HG3 ARG A 59 14.509 8.642 1.139 1.00 0.00 H new ATOM 0 HD2 ARG A 59 14.319 7.189 -0.918 1.00 0.00 H new ATOM 0 HD3 ARG A 59 13.539 8.524 -1.743 1.00 0.00 H new ATOM 0 HE ARG A 59 16.358 8.578 -0.709 1.00 0.00 H new ATOM 0 HH11 ARG A 59 13.903 9.467 -3.092 1.00 0.00 H new ATOM 0 HH12 ARG A 59 14.997 10.529 -3.985 1.00 0.00 H new ATOM 0 HH21 ARG A 59 17.732 9.980 -1.840 1.00 0.00 H new ATOM 0 HH22 ARG A 59 17.146 10.816 -3.282 1.00 0.00 H new ATOM 883 N ASN A 60 13.545 6.228 3.249 1.00 0.00 N ATOM 884 CA ASN A 60 14.608 5.865 4.185 1.00 0.00 C ATOM 885 C ASN A 60 14.857 4.363 4.151 1.00 0.00 C ATOM 886 O ASN A 60 16.002 3.912 4.124 1.00 0.00 O ATOM 887 CB ASN A 60 14.255 6.300 5.614 1.00 0.00 C ATOM 888 CG ASN A 60 15.314 5.883 6.624 1.00 0.00 C ATOM 889 OD1 ASN A 60 16.456 6.347 6.571 1.00 0.00 O ATOM 890 ND2 ASN A 60 14.944 5.010 7.552 1.00 0.00 N ATOM 0 H ASN A 60 12.639 6.401 3.683 1.00 0.00 H new ATOM 0 HA ASN A 60 15.515 6.385 3.878 1.00 0.00 H new ATOM 0 HB2 ASN A 60 14.136 7.383 5.642 1.00 0.00 H new ATOM 0 HB3 ASN A 60 13.296 5.866 5.897 1.00 0.00 H new ATOM 0 HD21 ASN A 60 15.614 4.699 8.256 1.00 0.00 H new ATOM 0 HD22 ASN A 60 13.990 4.650 7.562 1.00 0.00 H new ATOM 897 N ASP A 61 13.774 3.599 4.110 1.00 0.00 N ATOM 898 CA ASP A 61 13.852 2.141 4.056 1.00 0.00 C ATOM 899 C ASP A 61 14.609 1.693 2.822 1.00 0.00 C ATOM 900 O ASP A 61 15.395 0.749 2.868 1.00 0.00 O ATOM 901 CB ASP A 61 12.460 1.533 4.014 1.00 0.00 C ATOM 902 CG ASP A 61 11.912 1.199 5.379 1.00 0.00 C ATOM 903 OD1 ASP A 61 12.560 0.411 6.100 1.00 0.00 O ATOM 904 OD2 ASP A 61 10.803 1.668 5.703 1.00 0.00 O ATOM 0 H ASP A 61 12.822 3.966 4.113 1.00 0.00 H new ATOM 0 HA ASP A 61 14.375 1.805 4.951 1.00 0.00 H new ATOM 0 HB2 ASP A 61 11.782 2.228 3.519 1.00 0.00 H new ATOM 0 HB3 ASP A 61 12.485 0.627 3.409 1.00 0.00 H new ATOM 909 N TYR A 62 14.366 2.387 1.718 1.00 0.00 N ATOM 910 CA TYR A 62 15.032 2.087 0.462 1.00 0.00 C ATOM 911 C TYR A 62 16.541 2.176 0.629 1.00 0.00 C ATOM 912 O TYR A 62 17.275 1.308 0.168 1.00 0.00 O ATOM 913 CB TYR A 62 14.573 3.051 -0.629 1.00 0.00 C ATOM 914 CG TYR A 62 15.017 2.645 -2.014 1.00 0.00 C ATOM 915 CD1 TYR A 62 14.423 1.573 -2.664 1.00 0.00 C ATOM 916 CD2 TYR A 62 16.033 3.328 -2.669 1.00 0.00 C ATOM 917 CE1 TYR A 62 14.825 1.193 -3.928 1.00 0.00 C ATOM 918 CE2 TYR A 62 16.441 2.956 -3.935 1.00 0.00 C ATOM 919 CZ TYR A 62 15.833 1.886 -4.558 1.00 0.00 C ATOM 920 OH TYR A 62 16.236 1.506 -5.817 1.00 0.00 O ATOM 0 H TYR A 62 13.709 3.165 1.669 1.00 0.00 H new ATOM 0 HA TYR A 62 14.768 1.071 0.168 1.00 0.00 H new ATOM 0 HB2 TYR A 62 13.485 3.119 -0.610 1.00 0.00 H new ATOM 0 HB3 TYR A 62 14.958 4.047 -0.409 1.00 0.00 H new ATOM 0 HD1 TYR A 62 13.632 1.026 -2.172 1.00 0.00 H new ATOM 0 HD2 TYR A 62 16.512 4.164 -2.181 1.00 0.00 H new ATOM 0 HE1 TYR A 62 14.351 0.356 -4.420 1.00 0.00 H new ATOM 0 HE2 TYR A 62 17.230 3.499 -4.434 1.00 0.00 H new ATOM 0 HH TYR A 62 16.956 2.097 -6.122 1.00 0.00 H new ATOM 930 N ILE A 63 16.992 3.202 1.342 1.00 0.00 N ATOM 931 CA ILE A 63 18.414 3.392 1.592 1.00 0.00 C ATOM 932 C ILE A 63 18.932 2.358 2.594 1.00 0.00 C ATOM 933 O ILE A 63 20.092 1.947 2.546 1.00 0.00 O ATOM 934 CB ILE A 63 18.718 4.813 2.118 1.00 0.00 C ATOM 935 CG1 ILE A 63 18.078 5.871 1.213 1.00 0.00 C ATOM 936 CG2 ILE A 63 20.220 5.038 2.218 1.00 0.00 C ATOM 937 CD1 ILE A 63 18.439 5.734 -0.251 1.00 0.00 C ATOM 0 H ILE A 63 16.392 3.915 1.757 1.00 0.00 H new ATOM 0 HA ILE A 63 18.925 3.261 0.638 1.00 0.00 H new ATOM 0 HB ILE A 63 18.289 4.907 3.115 1.00 0.00 H new ATOM 0 HG12 ILE A 63 16.994 5.814 1.316 1.00 0.00 H new ATOM 0 HG13 ILE A 63 18.379 6.860 1.559 1.00 0.00 H new ATOM 0 HG21 ILE A 63 20.413 6.044 2.590 1.00 0.00 H new ATOM 0 HG22 ILE A 63 20.652 4.309 2.903 1.00 0.00 H new ATOM 0 HG23 ILE A 63 20.672 4.923 1.233 1.00 0.00 H new ATOM 0 HD11 ILE A 63 17.946 6.520 -0.823 1.00 0.00 H new ATOM 0 HD12 ILE A 63 19.519 5.823 -0.369 1.00 0.00 H new ATOM 0 HD13 ILE A 63 18.113 4.760 -0.617 1.00 0.00 H new ATOM 948 N ARG A 64 18.042 1.900 3.463 1.00 0.00 N ATOM 949 CA ARG A 64 18.380 0.881 4.447 1.00 0.00 C ATOM 950 C ARG A 64 18.601 -0.472 3.773 1.00 0.00 C ATOM 951 O ARG A 64 19.482 -1.237 4.166 1.00 0.00 O ATOM 952 CB ARG A 64 17.267 0.759 5.492 1.00 0.00 C ATOM 953 CG ARG A 64 17.455 1.664 6.699 1.00 0.00 C ATOM 954 CD ARG A 64 16.409 1.390 7.768 1.00 0.00 C ATOM 955 NE ARG A 64 16.762 0.236 8.600 1.00 0.00 N ATOM 956 CZ ARG A 64 16.902 0.284 9.927 1.00 0.00 C ATOM 957 NH1 ARG A 64 16.690 1.418 10.587 1.00 0.00 N ATOM 958 NH2 ARG A 64 17.234 -0.813 10.593 1.00 0.00 N ATOM 0 H ARG A 64 17.075 2.220 3.506 1.00 0.00 H new ATOM 0 HA ARG A 64 19.304 1.182 4.940 1.00 0.00 H new ATOM 0 HB2 ARG A 64 16.312 0.992 5.021 1.00 0.00 H new ATOM 0 HB3 ARG A 64 17.212 -0.276 5.831 1.00 0.00 H new ATOM 0 HG2 ARG A 64 18.451 1.514 7.116 1.00 0.00 H new ATOM 0 HG3 ARG A 64 17.394 2.707 6.387 1.00 0.00 H new ATOM 0 HD2 ARG A 64 16.297 2.271 8.400 1.00 0.00 H new ATOM 0 HD3 ARG A 64 15.444 1.213 7.294 1.00 0.00 H new ATOM 0 HE ARG A 64 16.910 -0.660 8.136 1.00 0.00 H new ATOM 0 HH11 ARG A 64 16.418 2.260 10.080 1.00 0.00 H new ATOM 0 HH12 ARG A 64 16.799 1.446 11.601 1.00 0.00 H new ATOM 0 HH21 ARG A 64 17.381 -1.689 10.092 1.00 0.00 H new ATOM 0 HH22 ARG A 64 17.342 -0.781 11.607 1.00 0.00 H new ATOM 972 N LEU A 65 17.746 -0.788 2.807 1.00 0.00 N ATOM 973 CA LEU A 65 17.779 -2.089 2.150 1.00 0.00 C ATOM 974 C LEU A 65 18.690 -2.085 0.925 1.00 0.00 C ATOM 975 O LEU A 65 19.595 -2.909 0.816 1.00 0.00 O ATOM 976 CB LEU A 65 16.364 -2.508 1.739 1.00 0.00 C ATOM 977 CG LEU A 65 15.650 -3.441 2.719 1.00 0.00 C ATOM 978 CD1 LEU A 65 14.943 -2.640 3.802 1.00 0.00 C ATOM 979 CD2 LEU A 65 14.663 -4.333 1.982 1.00 0.00 C ATOM 0 H LEU A 65 17.021 -0.160 2.461 1.00 0.00 H new ATOM 0 HA LEU A 65 18.182 -2.806 2.865 1.00 0.00 H new ATOM 0 HB2 LEU A 65 15.759 -1.610 1.611 1.00 0.00 H new ATOM 0 HB3 LEU A 65 16.416 -2.999 0.767 1.00 0.00 H new ATOM 0 HG LEU A 65 16.397 -4.076 3.196 1.00 0.00 H new ATOM 0 HD11 LEU A 65 14.441 -3.321 4.489 1.00 0.00 H new ATOM 0 HD12 LEU A 65 15.674 -2.045 4.350 1.00 0.00 H new ATOM 0 HD13 LEU A 65 14.207 -1.979 3.344 1.00 0.00 H new ATOM 0 HD21 LEU A 65 14.164 -4.990 2.694 1.00 0.00 H new ATOM 0 HD22 LEU A 65 13.921 -3.715 1.477 1.00 0.00 H new ATOM 0 HD23 LEU A 65 15.196 -4.934 1.245 1.00 0.00 H new ATOM 991 N PHE A 66 18.411 -1.198 -0.020 1.00 0.00 N ATOM 992 CA PHE A 66 19.161 -1.160 -1.273 1.00 0.00 C ATOM 993 C PHE A 66 19.881 0.171 -1.445 1.00 0.00 C ATOM 994 O PHE A 66 20.070 0.645 -2.567 1.00 0.00 O ATOM 995 CB PHE A 66 18.228 -1.395 -2.468 1.00 0.00 C ATOM 996 CG PHE A 66 17.146 -2.408 -2.215 1.00 0.00 C ATOM 997 CD1 PHE A 66 17.456 -3.745 -2.026 1.00 0.00 C ATOM 998 CD2 PHE A 66 15.815 -2.022 -2.175 1.00 0.00 C ATOM 999 CE1 PHE A 66 16.461 -4.675 -1.800 1.00 0.00 C ATOM 1000 CE2 PHE A 66 14.817 -2.947 -1.948 1.00 0.00 C ATOM 1001 CZ PHE A 66 15.140 -4.277 -1.760 1.00 0.00 C ATOM 0 H PHE A 66 17.674 -0.497 0.054 1.00 0.00 H new ATOM 0 HA PHE A 66 19.904 -1.956 -1.234 1.00 0.00 H new ATOM 0 HB2 PHE A 66 17.766 -0.448 -2.745 1.00 0.00 H new ATOM 0 HB3 PHE A 66 18.823 -1.721 -3.321 1.00 0.00 H new ATOM 0 HD1 PHE A 66 18.488 -4.063 -2.056 1.00 0.00 H new ATOM 0 HD2 PHE A 66 15.556 -0.984 -2.323 1.00 0.00 H new ATOM 0 HE1 PHE A 66 16.716 -5.714 -1.654 1.00 0.00 H new ATOM 0 HE2 PHE A 66 13.784 -2.632 -1.917 1.00 0.00 H new ATOM 0 HZ PHE A 66 14.361 -5.003 -1.582 1.00 0.00 H new ATOM 1011 N GLY A 67 20.292 0.768 -0.340 1.00 0.00 N ATOM 1012 CA GLY A 67 20.990 2.031 -0.408 1.00 0.00 C ATOM 1013 C GLY A 67 22.474 1.874 -0.191 1.00 0.00 C ATOM 1014 O GLY A 67 23.225 1.642 -1.144 1.00 0.00 O ATOM 0 H GLY A 67 20.155 0.401 0.602 1.00 0.00 H new ATOM 0 HA2 GLY A 67 20.813 2.490 -1.381 1.00 0.00 H new ATOM 0 HA3 GLY A 67 20.584 2.709 0.343 1.00 0.00 H new ATOM 1424 N GLU A 102 9.590 6.348 -6.708 1.00 0.00 N ATOM 1425 CA GLU A 102 8.974 6.880 -5.507 1.00 0.00 C ATOM 1426 C GLU A 102 7.567 7.395 -5.792 1.00 0.00 C ATOM 1427 O GLU A 102 7.091 7.324 -6.927 1.00 0.00 O ATOM 1428 CB GLU A 102 9.823 8.016 -4.940 1.00 0.00 C ATOM 1429 CG GLU A 102 10.285 7.768 -3.521 1.00 0.00 C ATOM 1430 CD GLU A 102 11.296 8.793 -3.048 1.00 0.00 C ATOM 1431 OE1 GLU A 102 12.442 8.773 -3.539 1.00 0.00 O ATOM 1432 OE2 GLU A 102 10.948 9.620 -2.180 1.00 0.00 O ATOM 0 HA GLU A 102 8.908 6.071 -4.779 1.00 0.00 H new ATOM 0 HB2 GLU A 102 10.695 8.162 -5.578 1.00 0.00 H new ATOM 0 HB3 GLU A 102 9.247 8.941 -4.971 1.00 0.00 H new ATOM 0 HG2 GLU A 102 9.422 7.780 -2.855 1.00 0.00 H new ATOM 0 HG3 GLU A 102 10.725 6.773 -3.455 1.00 0.00 H new ATOM 1439 N ARG A 103 6.985 8.054 -4.784 1.00 0.00 N ATOM 1440 CA ARG A 103 5.700 8.749 -4.916 1.00 0.00 C ATOM 1441 C ARG A 103 4.601 7.848 -5.484 1.00 0.00 C ATOM 1442 O ARG A 103 3.799 8.280 -6.306 1.00 0.00 O ATOM 1443 CB ARG A 103 5.858 9.994 -5.795 1.00 0.00 C ATOM 1444 CG ARG A 103 6.192 11.257 -5.018 1.00 0.00 C ATOM 1445 CD ARG A 103 7.645 11.279 -4.569 1.00 0.00 C ATOM 1446 NE ARG A 103 8.511 11.946 -5.538 1.00 0.00 N ATOM 1447 CZ ARG A 103 9.157 13.087 -5.298 1.00 0.00 C ATOM 1448 NH1 ARG A 103 9.083 13.659 -4.102 1.00 0.00 N ATOM 1449 NH2 ARG A 103 9.902 13.634 -6.248 1.00 0.00 N ATOM 0 H ARG A 103 7.393 8.120 -3.851 1.00 0.00 H new ATOM 0 HA ARG A 103 5.393 9.043 -3.912 1.00 0.00 H new ATOM 0 HB2 ARG A 103 6.643 9.812 -6.528 1.00 0.00 H new ATOM 0 HB3 ARG A 103 4.934 10.154 -6.351 1.00 0.00 H new ATOM 0 HG2 ARG A 103 5.991 12.130 -5.640 1.00 0.00 H new ATOM 0 HG3 ARG A 103 5.542 11.330 -4.146 1.00 0.00 H new ATOM 0 HD2 ARG A 103 7.719 11.787 -3.608 1.00 0.00 H new ATOM 0 HD3 ARG A 103 7.992 10.257 -4.417 1.00 0.00 H new ATOM 0 HE ARG A 103 8.628 11.512 -6.454 1.00 0.00 H new ATOM 0 HH11 ARG A 103 8.530 13.225 -3.363 1.00 0.00 H new ATOM 0 HH12 ARG A 103 9.579 14.532 -3.923 1.00 0.00 H new ATOM 0 HH21 ARG A 103 9.980 13.182 -7.159 1.00 0.00 H new ATOM 0 HH22 ARG A 103 10.398 14.507 -6.068 1.00 0.00 H new ATOM 1463 N LEU A 104 4.513 6.626 -4.982 1.00 0.00 N ATOM 1464 CA LEU A 104 3.460 5.712 -5.409 1.00 0.00 C ATOM 1465 C LEU A 104 2.292 5.766 -4.431 1.00 0.00 C ATOM 1466 O LEU A 104 1.382 4.938 -4.476 1.00 0.00 O ATOM 1467 CB LEU A 104 4.002 4.284 -5.504 1.00 0.00 C ATOM 1468 CG LEU A 104 4.941 4.022 -6.679 1.00 0.00 C ATOM 1469 CD1 LEU A 104 5.981 2.982 -6.301 1.00 0.00 C ATOM 1470 CD2 LEU A 104 4.153 3.574 -7.900 1.00 0.00 C ATOM 0 H LEU A 104 5.151 6.245 -4.284 1.00 0.00 H new ATOM 0 HA LEU A 104 3.110 6.018 -6.395 1.00 0.00 H new ATOM 0 HB2 LEU A 104 4.529 4.050 -4.579 1.00 0.00 H new ATOM 0 HB3 LEU A 104 3.159 3.596 -5.573 1.00 0.00 H new ATOM 0 HG LEU A 104 5.456 4.950 -6.927 1.00 0.00 H new ATOM 0 HD11 LEU A 104 6.644 2.805 -7.148 1.00 0.00 H new ATOM 0 HD12 LEU A 104 6.564 3.342 -5.453 1.00 0.00 H new ATOM 0 HD13 LEU A 104 5.483 2.051 -6.030 1.00 0.00 H new ATOM 0 HD21 LEU A 104 4.838 3.392 -8.728 1.00 0.00 H new ATOM 0 HD22 LEU A 104 3.612 2.657 -7.668 1.00 0.00 H new ATOM 0 HD23 LEU A 104 3.443 4.352 -8.181 1.00 0.00 H new ATOM 1482 N ILE A 105 2.356 6.719 -3.509 1.00 0.00 N ATOM 1483 CA ILE A 105 1.337 6.862 -2.481 1.00 0.00 C ATOM 1484 C ILE A 105 0.176 7.721 -2.968 1.00 0.00 C ATOM 1485 O ILE A 105 0.353 8.894 -3.303 1.00 0.00 O ATOM 1486 CB ILE A 105 1.930 7.478 -1.186 1.00 0.00 C ATOM 1487 CG1 ILE A 105 2.647 6.403 -0.369 1.00 0.00 C ATOM 1488 CG2 ILE A 105 0.850 8.144 -0.339 1.00 0.00 C ATOM 1489 CD1 ILE A 105 3.208 6.908 0.942 1.00 0.00 C ATOM 0 H ILE A 105 3.107 7.406 -3.454 1.00 0.00 H new ATOM 0 HA ILE A 105 0.965 5.862 -2.259 1.00 0.00 H new ATOM 0 HB ILE A 105 2.647 8.244 -1.481 1.00 0.00 H new ATOM 0 HG12 ILE A 105 1.951 5.589 -0.167 1.00 0.00 H new ATOM 0 HG13 ILE A 105 3.459 5.987 -0.965 1.00 0.00 H new ATOM 0 HG21 ILE A 105 1.300 8.565 0.560 1.00 0.00 H new ATOM 0 HG22 ILE A 105 0.376 8.940 -0.914 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.101 7.404 -0.057 1.00 0.00 H new ATOM 0 HD11 ILE A 105 3.702 6.090 1.466 1.00 0.00 H new ATOM 0 HD12 ILE A 105 3.929 7.702 0.747 1.00 0.00 H new ATOM 0 HD13 ILE A 105 2.398 7.297 1.559 1.00 0.00 H new ATOM 1500 N THR A 106 -1.023 7.179 -2.847 1.00 0.00 N ATOM 1501 CA THR A 106 -2.228 7.955 -3.060 1.00 0.00 C ATOM 1502 C THR A 106 -2.794 8.351 -1.703 1.00 0.00 C ATOM 1503 O THR A 106 -2.831 7.531 -0.782 1.00 0.00 O ATOM 1504 CB THR A 106 -3.287 7.177 -3.855 1.00 0.00 C ATOM 1505 OG1 THR A 106 -2.663 6.130 -4.618 1.00 0.00 O ATOM 1506 CG2 THR A 106 -4.058 8.101 -4.784 1.00 0.00 C ATOM 0 H THR A 106 -1.186 6.202 -2.602 1.00 0.00 H new ATOM 0 HA THR A 106 -1.969 8.836 -3.647 1.00 0.00 H new ATOM 0 HB THR A 106 -3.988 6.738 -3.145 1.00 0.00 H new ATOM 0 HG1 THR A 106 -2.293 5.457 -4.009 1.00 0.00 H new ATOM 0 HG21 THR A 106 -4.801 7.525 -5.335 1.00 0.00 H new ATOM 0 HG22 THR A 106 -4.558 8.872 -4.198 1.00 0.00 H new ATOM 0 HG23 THR A 106 -3.368 8.569 -5.486 1.00 0.00 H new ATOM 1514 N ARG A 107 -3.026 9.641 -1.531 1.00 0.00 N ATOM 1515 CA ARG A 107 -3.387 10.197 -0.232 1.00 0.00 C ATOM 1516 C ARG A 107 -4.725 9.684 0.279 1.00 0.00 C ATOM 1517 O ARG A 107 -5.516 9.103 -0.462 1.00 0.00 O ATOM 1518 CB ARG A 107 -3.405 11.728 -0.291 1.00 0.00 C ATOM 1519 CG ARG A 107 -4.057 12.289 -1.547 1.00 0.00 C ATOM 1520 CD ARG A 107 -5.554 12.480 -1.365 1.00 0.00 C ATOM 1521 NE ARG A 107 -6.278 12.426 -2.636 1.00 0.00 N ATOM 1522 CZ ARG A 107 -7.121 11.447 -2.979 1.00 0.00 C ATOM 1523 NH1 ARG A 107 -7.335 10.430 -2.155 1.00 0.00 N ATOM 1524 NH2 ARG A 107 -7.755 11.488 -4.146 1.00 0.00 N ATOM 0 H ARG A 107 -2.971 10.331 -2.280 1.00 0.00 H new ATOM 0 HA ARG A 107 -2.624 9.864 0.471 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -3.934 12.109 0.582 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -2.381 12.096 -0.229 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -3.596 13.244 -1.801 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -3.875 11.615 -2.384 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -5.938 11.709 -0.697 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -5.740 13.440 -0.884 1.00 0.00 H new ATOM 0 HE ARG A 107 -6.130 13.184 -3.302 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -6.855 10.393 -1.256 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -7.979 9.685 -2.421 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -7.599 12.269 -4.784 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -8.397 10.739 -4.404 1.00 0.00 H new ATOM 1538 N LEU A 108 -4.925 9.882 1.574 1.00 0.00 N ATOM 1539 CA LEU A 108 -6.110 9.440 2.291 1.00 0.00 C ATOM 1540 C LEU A 108 -7.377 10.124 1.779 1.00 0.00 C ATOM 1541 O LEU A 108 -7.375 10.775 0.731 1.00 0.00 O ATOM 1542 CB LEU A 108 -5.961 9.713 3.796 1.00 0.00 C ATOM 1543 CG LEU A 108 -4.557 9.569 4.426 1.00 0.00 C ATOM 1544 CD1 LEU A 108 -3.819 8.343 3.907 1.00 0.00 C ATOM 1545 CD2 LEU A 108 -3.728 10.831 4.211 1.00 0.00 C ATOM 0 H LEU A 108 -4.252 10.366 2.168 1.00 0.00 H new ATOM 0 HA LEU A 108 -6.206 8.368 2.117 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -6.310 10.728 3.987 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -6.635 9.039 4.325 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.702 9.430 5.497 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -2.838 8.283 4.377 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -4.391 7.446 4.145 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -3.699 8.421 2.826 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -2.745 10.702 4.664 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -3.614 11.014 3.142 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -4.232 11.680 4.672 1.00 0.00 H new ATOM 1557 N GLU A 109 -8.486 9.867 2.457 1.00 0.00 N ATOM 1558 CA GLU A 109 -9.776 10.343 2.000 1.00 0.00 C ATOM 1559 C GLU A 109 -10.022 11.796 2.400 1.00 0.00 C ATOM 1560 O GLU A 109 -10.676 12.089 3.399 1.00 0.00 O ATOM 1561 CB GLU A 109 -10.879 9.448 2.545 1.00 0.00 C ATOM 1562 CG GLU A 109 -10.903 8.056 1.931 1.00 0.00 C ATOM 1563 CD GLU A 109 -11.655 8.001 0.615 1.00 0.00 C ATOM 1564 OE1 GLU A 109 -11.346 8.803 -0.288 1.00 0.00 O ATOM 1565 OE2 GLU A 109 -12.552 7.139 0.470 1.00 0.00 O ATOM 0 H GLU A 109 -8.515 9.332 3.325 1.00 0.00 H new ATOM 0 HA GLU A 109 -9.781 10.303 0.911 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -10.759 9.356 3.624 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -11.842 9.928 2.371 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -9.879 7.717 1.772 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -11.363 7.362 2.635 1.00 0.00 H new