USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 604 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 87 LYS NZ :NH3+ 172:sc= 1.39 (180deg=0.961) USER MOD Set 1.2: A 89 HIS : no HE2:sc= 0.483 K(o=1.9,f=-2) USER MOD Set 2.1: A 44 HIS : no HE2:sc= -2.68 X(o=-5,f=-4.7) USER MOD Set 2.2: A 93 MET CE :methyl -156:sc= -2.28 (180deg=-2) USER MOD Single : A 14 LYS NZ :NH3+ 178:sc= 1.08 (180deg=1.03) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot -60:sc= -0.502 USER MOD Single : A 23 SER OG : rot 117:sc= 1.25 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot -87:sc= 0.356 USER MOD Single : A 34 CYS SG : rot -33:sc= -0.637 USER MOD Single : A 35 THR OG1 : rot 79:sc= 1.1 USER MOD Single : A 37 HIS : no HD1:sc= -0.375 X(o=-0.38,f=-0.38) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -81:sc= 1.75 USER MOD Single : A 68 LYS NZ :NH3+ -161:sc= 2.27 (180deg=1.94) USER MOD Single : A 69 MET CE :methyl -178:sc= 0 (180deg=-0.00585) USER MOD Single : A 72 LYS NZ :NH3+ 172:sc= 2.11 (180deg=2.01) USER MOD Single : A 73 LYS NZ :NH3+ -147:sc= 1.49 (180deg=0.538) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 52:sc= 1.27 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0644 USER MOD ----------------------------------------------------------------- ATOM 126 N PHE A 11 -11.903 -0.216 0.216 1.00 0.00 N ATOM 127 CA PHE A 11 -10.756 0.589 0.653 1.00 0.00 C ATOM 128 C PHE A 11 -9.416 0.075 0.146 1.00 0.00 C ATOM 129 O PHE A 11 -8.384 0.243 0.791 1.00 0.00 O ATOM 130 CB PHE A 11 -10.749 0.716 2.181 1.00 0.00 C ATOM 131 CG PHE A 11 -12.106 1.057 2.758 1.00 0.00 C ATOM 132 CD1 PHE A 11 -12.853 2.075 2.144 1.00 0.00 C ATOM 133 CD2 PHE A 11 -12.632 0.373 3.868 1.00 0.00 C ATOM 134 CE1 PHE A 11 -14.097 2.454 2.664 1.00 0.00 C ATOM 135 CE2 PHE A 11 -13.892 0.737 4.378 1.00 0.00 C ATOM 136 CZ PHE A 11 -14.619 1.788 3.786 1.00 0.00 C ATOM 0 HA PHE A 11 -10.883 1.574 0.204 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -10.402 -0.222 2.615 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -10.034 1.486 2.472 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -12.466 2.569 1.265 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -12.072 -0.428 4.327 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -14.654 3.257 2.204 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -14.303 0.209 5.226 1.00 0.00 H new ATOM 0 HZ PHE A 11 -15.575 2.081 4.193 1.00 0.00 H new ATOM 146 N VAL A 12 -9.415 -0.604 -0.994 1.00 0.00 N ATOM 147 CA VAL A 12 -8.149 -1.045 -1.575 1.00 0.00 C ATOM 148 C VAL A 12 -7.300 0.170 -1.928 1.00 0.00 C ATOM 149 O VAL A 12 -7.780 1.159 -2.487 1.00 0.00 O ATOM 150 CB VAL A 12 -8.297 -1.993 -2.773 1.00 0.00 C ATOM 151 CG1 VAL A 12 -6.911 -2.508 -3.202 1.00 0.00 C ATOM 152 CG2 VAL A 12 -9.137 -3.206 -2.376 1.00 0.00 C ATOM 0 H VAL A 12 -10.249 -0.857 -1.524 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.646 -1.642 -0.814 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.774 -1.447 -3.587 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.020 -3.181 -4.053 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.281 -1.665 -3.485 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.449 -3.044 -2.373 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.238 -3.874 -3.231 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.648 -3.735 -1.558 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.125 -2.875 -2.056 1.00 0.00 H new ATOM 162 N VAL A 13 -6.005 0.039 -1.682 1.00 0.00 N ATOM 163 CA VAL A 13 -4.986 0.799 -2.381 1.00 0.00 C ATOM 164 C VAL A 13 -4.032 -0.132 -3.099 1.00 0.00 C ATOM 165 O VAL A 13 -3.539 -1.107 -2.541 1.00 0.00 O ATOM 166 CB VAL A 13 -4.214 1.736 -1.451 1.00 0.00 C ATOM 167 CG1 VAL A 13 -5.157 2.828 -0.948 1.00 0.00 C ATOM 168 CG2 VAL A 13 -3.493 1.066 -0.278 1.00 0.00 C ATOM 0 H VAL A 13 -5.631 -0.605 -0.985 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.499 1.424 -3.112 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.407 2.152 -2.055 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.614 3.500 -0.284 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.546 3.392 -1.796 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.985 2.372 -0.405 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.980 1.824 0.314 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.220 0.548 0.348 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.766 0.349 -0.659 1.00 0.00 H new ATOM 178 N LYS A 14 -3.779 0.174 -4.359 1.00 0.00 N ATOM 179 CA LYS A 14 -2.700 -0.408 -5.145 1.00 0.00 C ATOM 180 C LYS A 14 -1.398 0.227 -4.678 1.00 0.00 C ATOM 181 O LYS A 14 -1.357 1.409 -4.343 1.00 0.00 O ATOM 182 CB LYS A 14 -2.988 -0.071 -6.605 1.00 0.00 C ATOM 183 CG LYS A 14 -1.772 -0.073 -7.547 1.00 0.00 C ATOM 184 CD LYS A 14 -2.171 0.138 -9.012 1.00 0.00 C ATOM 185 CE LYS A 14 -0.970 -0.040 -9.950 1.00 0.00 C ATOM 186 NZ LYS A 14 -0.531 -1.459 -10.019 1.00 0.00 N ATOM 0 H LYS A 14 -4.333 0.853 -4.881 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.623 -1.489 -5.030 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.719 -0.785 -6.985 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.453 0.914 -6.646 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.080 0.713 -7.245 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.242 -1.020 -7.450 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.954 -0.570 -9.283 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.587 1.138 -9.137 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.234 0.308 -10.949 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.143 0.580 -9.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.261 -1.545 -10.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.224 -1.774 -9.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.322 -2.052 -10.341 1.00 0.00 H new ATOM 200 N LEU A 15 -0.328 -0.540 -4.737 1.00 0.00 N ATOM 201 CA LEU A 15 1.017 -0.191 -4.334 1.00 0.00 C ATOM 202 C LEU A 15 1.951 -0.565 -5.476 1.00 0.00 C ATOM 203 O LEU A 15 1.957 -1.710 -5.918 1.00 0.00 O ATOM 204 CB LEU A 15 1.270 -0.925 -2.997 1.00 0.00 C ATOM 205 CG LEU A 15 0.837 -0.018 -1.851 1.00 0.00 C ATOM 206 CD1 LEU A 15 0.209 -0.759 -0.682 1.00 0.00 C ATOM 207 CD2 LEU A 15 1.976 0.848 -1.391 1.00 0.00 C ATOM 0 H LEU A 15 -0.381 -1.494 -5.095 1.00 0.00 H new ATOM 0 HA LEU A 15 1.185 0.871 -4.153 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.713 -1.861 -2.969 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.325 -1.179 -2.899 1.00 0.00 H new ATOM 0 HG LEU A 15 0.049 0.617 -2.256 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.072 -0.045 0.092 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.678 -1.292 -1.024 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.926 -1.472 -0.275 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.641 1.486 -0.573 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.796 0.218 -1.047 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.318 1.469 -2.219 1.00 0.00 H new ATOM 219 N ARG A 16 2.703 0.411 -5.986 1.00 0.00 N ATOM 220 CA ARG A 16 3.608 0.233 -7.130 1.00 0.00 C ATOM 221 C ARG A 16 4.951 0.908 -6.894 1.00 0.00 C ATOM 222 O ARG A 16 5.013 2.044 -6.440 1.00 0.00 O ATOM 223 CB ARG A 16 2.913 0.753 -8.403 1.00 0.00 C ATOM 224 CG ARG A 16 3.764 0.531 -9.668 1.00 0.00 C ATOM 225 CD ARG A 16 4.550 1.760 -10.142 1.00 0.00 C ATOM 226 NE ARG A 16 3.699 2.856 -10.645 1.00 0.00 N ATOM 227 CZ ARG A 16 3.138 2.975 -11.833 1.00 0.00 C ATOM 228 NH1 ARG A 16 3.151 2.029 -12.730 1.00 0.00 N ATOM 229 NH2 ARG A 16 2.551 4.094 -12.125 1.00 0.00 N ATOM 0 H ARG A 16 2.703 1.361 -5.614 1.00 0.00 H new ATOM 0 HA ARG A 16 3.825 -0.828 -7.256 1.00 0.00 H new ATOM 0 HB2 ARG A 16 1.953 0.250 -8.521 1.00 0.00 H new ATOM 0 HB3 ARG A 16 2.704 1.817 -8.291 1.00 0.00 H new ATOM 0 HG2 ARG A 16 4.467 -0.280 -9.478 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.109 0.203 -10.475 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.155 2.133 -9.316 1.00 0.00 H new ATOM 0 HD3 ARG A 16 5.239 1.457 -10.930 1.00 0.00 H new ATOM 0 HE ARG A 16 3.522 3.618 -9.991 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.612 1.142 -12.529 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.700 2.176 -13.633 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.532 4.853 -11.444 1.00 0.00 H new ATOM 0 HH22 ARG A 16 2.108 4.215 -13.036 1.00 0.00 H new ATOM 243 N GLY A 17 6.027 0.203 -7.224 1.00 0.00 N ATOM 244 CA GLY A 17 7.402 0.687 -7.129 1.00 0.00 C ATOM 245 C GLY A 17 8.300 -0.173 -6.229 1.00 0.00 C ATOM 246 O GLY A 17 9.509 -0.249 -6.447 1.00 0.00 O ATOM 0 H GLY A 17 5.966 -0.752 -7.577 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.834 0.724 -8.129 1.00 0.00 H new ATOM 0 HA3 GLY A 17 7.392 1.708 -6.748 1.00 0.00 H new ATOM 250 N LEU A 18 7.664 -0.779 -5.223 1.00 0.00 N ATOM 251 CA LEU A 18 8.163 -1.510 -4.054 1.00 0.00 C ATOM 252 C LEU A 18 9.358 -2.466 -4.290 1.00 0.00 C ATOM 253 O LEU A 18 9.543 -2.956 -5.404 1.00 0.00 O ATOM 254 CB LEU A 18 6.991 -2.282 -3.384 1.00 0.00 C ATOM 255 CG LEU A 18 5.534 -1.996 -3.829 1.00 0.00 C ATOM 256 CD1 LEU A 18 4.642 -3.111 -3.312 1.00 0.00 C ATOM 257 CD2 LEU A 18 4.955 -0.665 -3.328 1.00 0.00 C ATOM 0 H LEU A 18 6.644 -0.766 -5.209 1.00 0.00 H new ATOM 0 HA LEU A 18 8.568 -0.736 -3.402 1.00 0.00 H new ATOM 0 HB2 LEU A 18 7.174 -3.346 -3.532 1.00 0.00 H new ATOM 0 HB3 LEU A 18 7.048 -2.095 -2.312 1.00 0.00 H new ATOM 0 HG LEU A 18 5.562 -1.937 -4.917 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.612 -2.924 -3.617 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.975 -4.064 -3.723 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.697 -3.146 -2.224 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.933 -0.554 -3.690 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.957 -0.655 -2.238 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.563 0.159 -3.700 1.00 0.00 H new ATOM 269 N PRO A 19 10.148 -2.799 -3.247 1.00 0.00 N ATOM 270 CA PRO A 19 11.215 -3.802 -3.322 1.00 0.00 C ATOM 271 C PRO A 19 10.732 -5.191 -3.760 1.00 0.00 C ATOM 272 O PRO A 19 9.641 -5.635 -3.397 1.00 0.00 O ATOM 273 CB PRO A 19 11.850 -3.855 -1.925 1.00 0.00 C ATOM 274 CG PRO A 19 11.459 -2.517 -1.303 1.00 0.00 C ATOM 275 CD PRO A 19 10.076 -2.262 -1.896 1.00 0.00 C ATOM 0 HA PRO A 19 11.931 -3.511 -4.091 1.00 0.00 H new ATOM 0 HB2 PRO A 19 11.469 -4.694 -1.343 1.00 0.00 H new ATOM 0 HB3 PRO A 19 12.932 -3.970 -1.981 1.00 0.00 H new ATOM 0 HG2 PRO A 19 11.429 -2.570 -0.215 1.00 0.00 H new ATOM 0 HG3 PRO A 19 12.164 -1.728 -1.565 1.00 0.00 H new ATOM 0 HD2 PRO A 19 9.298 -2.757 -1.314 1.00 0.00 H new ATOM 0 HD3 PRO A 19 9.839 -1.198 -1.905 1.00 0.00 H new ATOM 283 N TRP A 20 11.594 -5.911 -4.486 1.00 0.00 N ATOM 284 CA TRP A 20 11.345 -7.251 -5.046 1.00 0.00 C ATOM 285 C TRP A 20 11.204 -8.371 -3.982 1.00 0.00 C ATOM 286 O TRP A 20 10.975 -9.527 -4.338 1.00 0.00 O ATOM 287 CB TRP A 20 12.474 -7.590 -6.039 1.00 0.00 C ATOM 288 CG TRP A 20 12.341 -7.150 -7.475 1.00 0.00 C ATOM 289 CD1 TRP A 20 12.775 -7.902 -8.512 1.00 0.00 C ATOM 290 CD2 TRP A 20 11.812 -5.919 -8.085 1.00 0.00 C ATOM 291 NE1 TRP A 20 12.577 -7.237 -9.703 1.00 0.00 N ATOM 292 CE2 TRP A 20 11.997 -6.006 -9.503 1.00 0.00 C ATOM 293 CE3 TRP A 20 11.204 -4.733 -7.617 1.00 0.00 C ATOM 294 CZ2 TRP A 20 11.626 -4.980 -10.387 1.00 0.00 C ATOM 295 CZ3 TRP A 20 10.825 -3.696 -8.491 1.00 0.00 C ATOM 296 CH2 TRP A 20 11.036 -3.814 -9.875 1.00 0.00 C ATOM 0 H TRP A 20 12.526 -5.564 -4.711 1.00 0.00 H new ATOM 0 HA TRP A 20 10.379 -7.212 -5.549 1.00 0.00 H new ATOM 0 HB2 TRP A 20 13.396 -7.161 -5.647 1.00 0.00 H new ATOM 0 HB3 TRP A 20 12.600 -8.673 -6.037 1.00 0.00 H new ATOM 0 HD1 TRP A 20 13.214 -8.884 -8.420 1.00 0.00 H new ATOM 0 HE1 TRP A 20 12.829 -7.611 -10.618 1.00 0.00 H new ATOM 0 HE3 TRP A 20 11.025 -4.618 -6.558 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 11.793 -5.087 -11.449 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 10.368 -2.802 -8.094 1.00 0.00 H new ATOM 0 HH2 TRP A 20 10.746 -3.014 -10.540 1.00 0.00 H new ATOM 307 N SER A 21 11.331 -8.060 -2.686 1.00 0.00 N ATOM 308 CA SER A 21 11.287 -9.026 -1.574 1.00 0.00 C ATOM 309 C SER A 21 10.418 -8.563 -0.394 1.00 0.00 C ATOM 310 O SER A 21 10.373 -9.240 0.637 1.00 0.00 O ATOM 311 CB SER A 21 12.721 -9.329 -1.113 1.00 0.00 C ATOM 312 OG SER A 21 13.363 -8.160 -0.620 1.00 0.00 O ATOM 0 H SER A 21 11.472 -7.101 -2.369 1.00 0.00 H new ATOM 0 HA SER A 21 10.812 -9.933 -1.948 1.00 0.00 H new ATOM 0 HB2 SER A 21 12.701 -10.092 -0.334 1.00 0.00 H new ATOM 0 HB3 SER A 21 13.294 -9.738 -1.945 1.00 0.00 H new ATOM 0 HG SER A 21 14.273 -8.383 -0.332 1.00 0.00 H new ATOM 318 N CYS A 22 9.739 -7.414 -0.511 1.00 0.00 N ATOM 319 CA CYS A 22 8.912 -6.865 0.565 1.00 0.00 C ATOM 320 C CYS A 22 7.607 -7.644 0.816 1.00 0.00 C ATOM 321 O CYS A 22 7.177 -8.495 0.030 1.00 0.00 O ATOM 322 CB CYS A 22 8.663 -5.365 0.335 1.00 0.00 C ATOM 323 SG CYS A 22 9.973 -4.465 1.204 1.00 0.00 S ATOM 0 H CYS A 22 9.749 -6.841 -1.355 1.00 0.00 H new ATOM 0 HA CYS A 22 9.480 -6.986 1.488 1.00 0.00 H new ATOM 0 HB2 CYS A 22 8.677 -5.132 -0.730 1.00 0.00 H new ATOM 0 HB3 CYS A 22 7.682 -5.076 0.712 1.00 0.00 H new ATOM 0 HG CYS A 22 9.924 -4.745 2.472 1.00 0.00 H new ATOM 329 N SER A 23 6.989 -7.328 1.953 1.00 0.00 N ATOM 330 CA SER A 23 5.843 -8.016 2.551 1.00 0.00 C ATOM 331 C SER A 23 5.021 -7.064 3.401 1.00 0.00 C ATOM 332 O SER A 23 5.411 -5.937 3.701 1.00 0.00 O ATOM 333 CB SER A 23 6.331 -9.182 3.420 1.00 0.00 C ATOM 334 OG SER A 23 7.230 -8.746 4.425 1.00 0.00 O ATOM 0 H SER A 23 7.294 -6.535 2.518 1.00 0.00 H new ATOM 0 HA SER A 23 5.215 -8.394 1.744 1.00 0.00 H new ATOM 0 HB2 SER A 23 5.476 -9.672 3.885 1.00 0.00 H new ATOM 0 HB3 SER A 23 6.821 -9.925 2.791 1.00 0.00 H new ATOM 0 HG SER A 23 6.843 -8.921 5.308 1.00 0.00 H new ATOM 340 N VAL A 24 3.843 -7.507 3.811 1.00 0.00 N ATOM 341 CA VAL A 24 2.971 -6.750 4.682 1.00 0.00 C ATOM 342 C VAL A 24 3.593 -6.157 5.946 1.00 0.00 C ATOM 343 O VAL A 24 3.169 -5.079 6.346 1.00 0.00 O ATOM 344 CB VAL A 24 1.670 -7.505 4.890 1.00 0.00 C ATOM 345 CG1 VAL A 24 1.499 -8.947 4.413 1.00 0.00 C ATOM 346 CG2 VAL A 24 1.021 -7.287 6.225 1.00 0.00 C ATOM 0 H VAL A 24 3.465 -8.415 3.542 1.00 0.00 H new ATOM 0 HA VAL A 24 2.747 -5.824 4.152 1.00 0.00 H new ATOM 0 HB VAL A 24 1.119 -6.975 4.113 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.496 -9.296 4.661 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.643 -8.993 3.333 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.236 -9.582 4.904 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.099 -7.866 6.280 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.699 -7.608 7.016 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.792 -6.229 6.350 1.00 0.00 H new ATOM 356 N GLU A 25 4.659 -6.712 6.513 1.00 0.00 N ATOM 357 CA GLU A 25 5.314 -6.074 7.661 1.00 0.00 C ATOM 358 C GLU A 25 5.925 -4.714 7.270 1.00 0.00 C ATOM 359 O GLU A 25 5.990 -3.782 8.072 1.00 0.00 O ATOM 360 CB GLU A 25 6.399 -6.996 8.218 1.00 0.00 C ATOM 361 CG GLU A 25 5.844 -8.288 8.835 1.00 0.00 C ATOM 362 CD GLU A 25 5.627 -9.454 7.843 1.00 0.00 C ATOM 363 OE1 GLU A 25 5.896 -9.314 6.624 1.00 0.00 O ATOM 364 OE2 GLU A 25 5.194 -10.544 8.292 1.00 0.00 O ATOM 0 H GLU A 25 5.086 -7.587 6.207 1.00 0.00 H new ATOM 0 HA GLU A 25 4.560 -5.896 8.428 1.00 0.00 H new ATOM 0 HB2 GLU A 25 7.093 -7.253 7.418 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.970 -6.457 8.974 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.527 -8.620 9.617 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.893 -8.061 9.317 1.00 0.00 H new ATOM 371 N ASP A 26 6.297 -4.579 5.997 1.00 0.00 N ATOM 372 CA ASP A 26 6.741 -3.361 5.337 1.00 0.00 C ATOM 373 C ASP A 26 5.576 -2.458 4.899 1.00 0.00 C ATOM 374 O ASP A 26 5.766 -1.248 4.825 1.00 0.00 O ATOM 375 CB ASP A 26 7.548 -3.776 4.115 1.00 0.00 C ATOM 376 CG ASP A 26 8.437 -2.638 3.620 1.00 0.00 C ATOM 377 OD1 ASP A 26 9.447 -2.337 4.299 1.00 0.00 O ATOM 378 OD2 ASP A 26 8.152 -2.068 2.541 1.00 0.00 O ATOM 0 H ASP A 26 6.294 -5.375 5.360 1.00 0.00 H new ATOM 0 HA ASP A 26 7.334 -2.779 6.043 1.00 0.00 H new ATOM 0 HB2 ASP A 26 8.165 -4.640 4.361 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.871 -4.084 3.318 1.00 0.00 H new ATOM 383 N VAL A 27 4.373 -2.999 4.636 1.00 0.00 N ATOM 384 CA VAL A 27 3.206 -2.201 4.207 1.00 0.00 C ATOM 385 C VAL A 27 2.720 -1.405 5.403 1.00 0.00 C ATOM 386 O VAL A 27 2.575 -0.188 5.374 1.00 0.00 O ATOM 387 CB VAL A 27 2.063 -3.057 3.599 1.00 0.00 C ATOM 388 CG1 VAL A 27 2.541 -4.025 2.524 1.00 0.00 C ATOM 389 CG2 VAL A 27 0.944 -3.656 4.462 1.00 0.00 C ATOM 0 H VAL A 27 4.181 -3.998 4.714 1.00 0.00 H new ATOM 0 HA VAL A 27 3.519 -1.537 3.402 1.00 0.00 H new ATOM 0 HB VAL A 27 1.502 -2.229 3.165 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.692 -4.592 2.141 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.001 -3.466 1.709 1.00 0.00 H new ATOM 0 HG13 VAL A 27 3.272 -4.711 2.951 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.256 -4.215 3.828 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.377 -4.325 5.206 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.404 -2.854 4.965 1.00 0.00 H new ATOM 399 N GLN A 28 2.599 -2.141 6.496 1.00 0.00 N ATOM 400 CA GLN A 28 2.297 -1.734 7.849 1.00 0.00 C ATOM 401 C GLN A 28 3.391 -0.862 8.500 1.00 0.00 C ATOM 402 O GLN A 28 3.078 -0.089 9.401 1.00 0.00 O ATOM 403 CB GLN A 28 2.182 -3.062 8.593 1.00 0.00 C ATOM 404 CG GLN A 28 0.881 -3.853 8.449 1.00 0.00 C ATOM 405 CD GLN A 28 0.954 -5.086 9.352 1.00 0.00 C ATOM 406 OE1 GLN A 28 1.863 -5.902 9.296 1.00 0.00 O ATOM 407 NE2 GLN A 28 0.045 -5.232 10.289 1.00 0.00 N ATOM 0 H GLN A 28 2.725 -3.152 6.444 1.00 0.00 H new ATOM 0 HA GLN A 28 1.403 -1.112 7.878 1.00 0.00 H new ATOM 0 HB2 GLN A 28 3.001 -3.702 8.263 1.00 0.00 H new ATOM 0 HB3 GLN A 28 2.338 -2.866 9.654 1.00 0.00 H new ATOM 0 HG2 GLN A 28 0.029 -3.232 8.725 1.00 0.00 H new ATOM 0 HG3 GLN A 28 0.734 -4.153 7.411 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -0.725 -4.567 10.361 1.00 0.00 H new ATOM 0 HE22 GLN A 28 0.109 -6.010 10.945 1.00 0.00 H new ATOM 416 N ASN A 29 4.659 -0.954 8.069 1.00 0.00 N ATOM 417 CA ASN A 29 5.730 -0.038 8.498 1.00 0.00 C ATOM 418 C ASN A 29 5.766 1.262 7.672 1.00 0.00 C ATOM 419 O ASN A 29 5.844 2.348 8.249 1.00 0.00 O ATOM 420 CB ASN A 29 7.084 -0.758 8.417 1.00 0.00 C ATOM 421 CG ASN A 29 8.227 0.142 8.861 1.00 0.00 C ATOM 422 OD1 ASN A 29 8.465 0.344 10.043 1.00 0.00 O ATOM 423 ND2 ASN A 29 8.955 0.726 7.936 1.00 0.00 N ATOM 0 H ASN A 29 4.972 -1.668 7.411 1.00 0.00 H new ATOM 0 HA ASN A 29 5.522 0.251 9.528 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.060 -1.651 9.042 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.259 -1.090 7.394 1.00 0.00 H new ATOM 0 HD21 ASN A 29 9.718 1.347 8.204 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.757 0.558 6.950 1.00 0.00 H new ATOM 430 N PHE A 30 5.659 1.172 6.338 1.00 0.00 N ATOM 431 CA PHE A 30 5.477 2.322 5.450 1.00 0.00 C ATOM 432 C PHE A 30 4.239 3.138 5.822 1.00 0.00 C ATOM 433 O PHE A 30 4.225 4.365 5.697 1.00 0.00 O ATOM 434 CB PHE A 30 5.470 1.826 3.999 1.00 0.00 C ATOM 435 CG PHE A 30 5.131 2.881 2.983 1.00 0.00 C ATOM 436 CD1 PHE A 30 6.054 3.900 2.725 1.00 0.00 C ATOM 437 CD2 PHE A 30 3.903 2.846 2.304 1.00 0.00 C ATOM 438 CE1 PHE A 30 5.773 4.859 1.746 1.00 0.00 C ATOM 439 CE2 PHE A 30 3.597 3.839 1.357 1.00 0.00 C ATOM 440 CZ PHE A 30 4.549 4.828 1.055 1.00 0.00 C ATOM 0 H PHE A 30 5.698 0.282 5.841 1.00 0.00 H new ATOM 0 HA PHE A 30 6.310 3.016 5.566 1.00 0.00 H new ATOM 0 HB2 PHE A 30 6.452 1.415 3.764 1.00 0.00 H new ATOM 0 HB3 PHE A 30 4.753 1.010 3.910 1.00 0.00 H new ATOM 0 HD1 PHE A 30 6.980 3.946 3.279 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.194 2.057 2.509 1.00 0.00 H new ATOM 0 HE1 PHE A 30 6.499 5.626 1.520 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.636 3.842 0.864 1.00 0.00 H new ATOM 0 HZ PHE A 30 4.340 5.564 0.292 1.00 0.00 H new ATOM 450 N LEU A 31 3.237 2.446 6.366 1.00 0.00 N ATOM 451 CA LEU A 31 1.973 2.995 6.847 1.00 0.00 C ATOM 452 C LEU A 31 1.702 2.626 8.299 1.00 0.00 C ATOM 453 O LEU A 31 0.616 2.212 8.702 1.00 0.00 O ATOM 454 CB LEU A 31 0.867 2.625 5.902 1.00 0.00 C ATOM 455 CG LEU A 31 1.112 3.447 4.633 1.00 0.00 C ATOM 456 CD1 LEU A 31 0.608 2.559 3.559 1.00 0.00 C ATOM 457 CD2 LEU A 31 0.441 4.812 4.678 1.00 0.00 C ATOM 0 H LEU A 31 3.290 1.435 6.488 1.00 0.00 H new ATOM 0 HA LEU A 31 2.034 4.083 6.854 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.879 1.557 5.685 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.108 2.852 6.333 1.00 0.00 H new ATOM 0 HG LEU A 31 2.159 3.713 4.485 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.733 3.049 2.593 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.168 1.624 3.567 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.449 2.350 3.725 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.649 5.350 3.753 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.636 4.685 4.790 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.829 5.380 5.523 1.00 0.00 H new ATOM 469 N SER A 32 2.740 2.851 9.089 1.00 0.00 N ATOM 470 CA SER A 32 2.682 2.964 10.551 1.00 0.00 C ATOM 471 C SER A 32 1.700 4.062 11.022 1.00 0.00 C ATOM 472 O SER A 32 1.249 4.059 12.170 1.00 0.00 O ATOM 473 CB SER A 32 4.094 3.157 11.112 1.00 0.00 C ATOM 474 OG SER A 32 4.817 4.163 10.422 1.00 0.00 O ATOM 0 H SER A 32 3.685 2.965 8.723 1.00 0.00 H new ATOM 0 HA SER A 32 2.281 2.032 10.950 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.030 3.419 12.168 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.639 2.215 11.050 1.00 0.00 H new ATOM 0 HG SER A 32 5.268 3.768 9.647 1.00 0.00 H new ATOM 480 N ASP A 33 1.290 4.953 10.109 1.00 0.00 N ATOM 481 CA ASP A 33 0.150 5.877 10.183 1.00 0.00 C ATOM 482 C ASP A 33 -1.214 5.179 10.394 1.00 0.00 C ATOM 483 O ASP A 33 -2.173 5.815 10.839 1.00 0.00 O ATOM 484 CB ASP A 33 0.019 6.630 8.840 1.00 0.00 C ATOM 485 CG ASP A 33 1.300 7.227 8.248 1.00 0.00 C ATOM 486 OD1 ASP A 33 2.270 6.477 7.988 1.00 0.00 O ATOM 487 OD2 ASP A 33 1.287 8.433 7.916 1.00 0.00 O ATOM 0 H ASP A 33 1.789 5.054 9.225 1.00 0.00 H new ATOM 0 HA ASP A 33 0.358 6.523 11.036 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.405 5.944 8.107 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.701 7.438 8.974 1.00 0.00 H new ATOM 492 N CYS A 34 -1.335 3.910 9.983 1.00 0.00 N ATOM 493 CA CYS A 34 -2.548 3.387 9.346 1.00 0.00 C ATOM 494 C CYS A 34 -2.993 2.015 9.891 1.00 0.00 C ATOM 495 O CYS A 34 -2.214 1.279 10.505 1.00 0.00 O ATOM 496 CB CYS A 34 -2.263 3.322 7.833 1.00 0.00 C ATOM 497 SG CYS A 34 -3.652 4.013 6.924 1.00 0.00 S ATOM 0 H CYS A 34 -0.593 3.217 10.083 1.00 0.00 H new ATOM 0 HA CYS A 34 -3.383 4.051 9.570 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.353 3.875 7.601 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -2.095 2.289 7.529 1.00 0.00 H new ATOM 0 HG CYS A 34 -4.756 3.762 7.562 1.00 0.00 H new ATOM 503 N THR A 35 -4.260 1.660 9.655 1.00 0.00 N ATOM 504 CA THR A 35 -4.929 0.510 10.293 1.00 0.00 C ATOM 505 C THR A 35 -4.840 -0.778 9.474 1.00 0.00 C ATOM 506 O THR A 35 -4.522 -1.831 10.032 1.00 0.00 O ATOM 507 CB THR A 35 -6.430 0.818 10.521 1.00 0.00 C ATOM 508 OG1 THR A 35 -6.609 2.117 11.043 1.00 0.00 O ATOM 509 CG2 THR A 35 -7.149 -0.138 11.474 1.00 0.00 C ATOM 0 H THR A 35 -4.863 2.167 9.007 1.00 0.00 H new ATOM 0 HA THR A 35 -4.404 0.354 11.235 1.00 0.00 H new ATOM 0 HB THR A 35 -6.866 0.705 9.529 1.00 0.00 H new ATOM 0 HG1 THR A 35 -6.538 2.773 10.319 1.00 0.00 H new ATOM 0 HG21 THR A 35 -8.193 0.160 11.569 1.00 0.00 H new ATOM 0 HG22 THR A 35 -7.095 -1.153 11.080 1.00 0.00 H new ATOM 0 HG23 THR A 35 -6.671 -0.103 12.453 1.00 0.00 H new ATOM 517 N ILE A 36 -5.139 -0.698 8.166 1.00 0.00 N ATOM 518 CA ILE A 36 -5.660 -1.791 7.315 1.00 0.00 C ATOM 519 C ILE A 36 -6.911 -2.448 7.952 1.00 0.00 C ATOM 520 O ILE A 36 -7.190 -2.317 9.137 1.00 0.00 O ATOM 521 CB ILE A 36 -4.492 -2.778 6.979 1.00 0.00 C ATOM 522 CG1 ILE A 36 -3.401 -2.210 6.038 1.00 0.00 C ATOM 523 CG2 ILE A 36 -4.915 -4.123 6.352 1.00 0.00 C ATOM 524 CD1 ILE A 36 -2.574 -1.030 6.565 1.00 0.00 C ATOM 0 H ILE A 36 -5.020 0.171 7.645 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.019 -1.401 6.363 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.096 -2.936 7.982 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.715 -3.019 5.787 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.882 -1.900 5.110 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.030 -4.729 6.160 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.575 -4.653 7.039 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.439 -3.938 5.414 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.847 -0.729 5.810 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.235 -0.192 6.786 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.051 -1.329 7.473 1.00 0.00 H new ATOM 536 N HIS A 37 -7.736 -3.136 7.164 1.00 0.00 N ATOM 537 CA HIS A 37 -9.015 -3.742 7.605 1.00 0.00 C ATOM 538 C HIS A 37 -8.883 -4.944 8.581 1.00 0.00 C ATOM 539 O HIS A 37 -9.835 -5.662 8.875 1.00 0.00 O ATOM 540 CB HIS A 37 -9.817 -3.982 6.318 1.00 0.00 C ATOM 541 CG HIS A 37 -10.832 -5.096 6.290 1.00 0.00 C ATOM 542 ND1 HIS A 37 -12.129 -5.018 6.744 1.00 0.00 N ATOM 543 CD2 HIS A 37 -10.643 -6.368 5.815 1.00 0.00 C ATOM 544 CE1 HIS A 37 -12.706 -6.214 6.550 1.00 0.00 C ATOM 545 NE2 HIS A 37 -11.841 -7.076 5.988 1.00 0.00 N ATOM 0 H HIS A 37 -7.539 -3.298 6.176 1.00 0.00 H new ATOM 0 HA HIS A 37 -9.565 -3.068 8.262 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -10.338 -3.055 6.076 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -9.104 -4.166 5.514 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -9.732 -6.756 5.384 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -13.727 -6.452 6.810 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -12.020 -8.049 5.738 1.00 0.00 H new ATOM 553 N ASP A 38 -7.689 -5.131 9.134 1.00 0.00 N ATOM 554 CA ASP A 38 -7.299 -6.162 10.099 1.00 0.00 C ATOM 555 C ASP A 38 -5.892 -5.850 10.632 1.00 0.00 C ATOM 556 O ASP A 38 -5.635 -5.860 11.837 1.00 0.00 O ATOM 557 CB ASP A 38 -7.267 -7.514 9.367 1.00 0.00 C ATOM 558 CG ASP A 38 -6.453 -8.546 10.141 1.00 0.00 C ATOM 559 OD1 ASP A 38 -6.976 -9.128 11.110 1.00 0.00 O ATOM 560 OD2 ASP A 38 -5.253 -8.726 9.826 1.00 0.00 O ATOM 0 H ASP A 38 -6.906 -4.520 8.903 1.00 0.00 H new ATOM 0 HA ASP A 38 -8.005 -6.191 10.929 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -8.285 -7.879 9.230 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.839 -7.382 8.373 1.00 0.00 H new ATOM 565 N GLY A 39 -4.989 -5.594 9.685 1.00 0.00 N ATOM 566 CA GLY A 39 -3.558 -5.401 9.872 1.00 0.00 C ATOM 567 C GLY A 39 -2.777 -6.046 8.734 1.00 0.00 C ATOM 568 O GLY A 39 -1.982 -5.384 8.068 1.00 0.00 O ATOM 0 H GLY A 39 -5.259 -5.511 8.705 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.332 -4.336 9.917 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.248 -5.833 10.824 1.00 0.00 H new ATOM 572 N ALA A 40 -3.100 -7.306 8.443 1.00 0.00 N ATOM 573 CA ALA A 40 -2.496 -8.085 7.363 1.00 0.00 C ATOM 574 C ALA A 40 -3.531 -8.872 6.539 1.00 0.00 C ATOM 575 O ALA A 40 -3.263 -9.226 5.391 1.00 0.00 O ATOM 576 CB ALA A 40 -1.475 -9.038 8.002 1.00 0.00 C ATOM 0 H ALA A 40 -3.806 -7.826 8.965 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.018 -7.404 6.659 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.002 -9.638 7.225 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.715 -8.459 8.526 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.983 -9.694 8.709 1.00 0.00 H new ATOM 582 N ALA A 41 -4.745 -9.075 7.056 1.00 0.00 N ATOM 583 CA ALA A 41 -5.823 -9.779 6.340 1.00 0.00 C ATOM 584 C ALA A 41 -6.568 -8.881 5.323 1.00 0.00 C ATOM 585 O ALA A 41 -7.756 -9.066 5.048 1.00 0.00 O ATOM 586 CB ALA A 41 -6.753 -10.463 7.342 1.00 0.00 C ATOM 0 H ALA A 41 -5.014 -8.756 7.987 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.368 -10.555 5.724 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.548 -10.982 6.806 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.185 -11.182 7.933 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.190 -9.714 8.003 1.00 0.00 H new ATOM 592 N GLY A 42 -5.855 -7.895 4.770 1.00 0.00 N ATOM 593 CA GLY A 42 -6.285 -7.058 3.657 1.00 0.00 C ATOM 594 C GLY A 42 -5.176 -6.830 2.625 1.00 0.00 C ATOM 595 O GLY A 42 -5.444 -6.263 1.575 1.00 0.00 O ATOM 0 H GLY A 42 -4.922 -7.652 5.104 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.141 -7.523 3.168 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.622 -6.095 4.041 1.00 0.00 H new ATOM 599 N VAL A 43 -3.936 -7.257 2.884 1.00 0.00 N ATOM 600 CA VAL A 43 -2.783 -7.067 1.995 1.00 0.00 C ATOM 601 C VAL A 43 -2.589 -8.287 1.103 1.00 0.00 C ATOM 602 O VAL A 43 -2.735 -9.438 1.520 1.00 0.00 O ATOM 603 CB VAL A 43 -1.471 -6.730 2.755 1.00 0.00 C ATOM 604 CG1 VAL A 43 -1.521 -6.818 4.259 1.00 0.00 C ATOM 605 CG2 VAL A 43 -0.204 -7.156 2.009 1.00 0.00 C ATOM 0 H VAL A 43 -3.699 -7.758 3.740 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.010 -6.200 1.375 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.373 -5.645 2.714 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.545 -6.560 4.671 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.271 -6.124 4.639 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.783 -7.834 4.556 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.673 -6.889 2.599 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.220 -8.234 1.851 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.161 -6.648 1.045 1.00 0.00 H new ATOM 615 N HIS A 44 -2.171 -7.994 -0.124 1.00 0.00 N ATOM 616 CA HIS A 44 -1.795 -8.939 -1.153 1.00 0.00 C ATOM 617 C HIS A 44 -0.643 -8.358 -1.962 1.00 0.00 C ATOM 618 O HIS A 44 -0.573 -7.152 -2.199 1.00 0.00 O ATOM 619 CB HIS A 44 -2.992 -9.160 -2.094 1.00 0.00 C ATOM 620 CG HIS A 44 -4.344 -8.999 -1.452 1.00 0.00 C ATOM 621 ND1 HIS A 44 -4.950 -7.787 -1.259 1.00 0.00 N ATOM 622 CD2 HIS A 44 -5.176 -9.960 -0.944 1.00 0.00 C ATOM 623 CE1 HIS A 44 -6.118 -7.997 -0.647 1.00 0.00 C ATOM 624 NE2 HIS A 44 -6.313 -9.312 -0.432 1.00 0.00 N ATOM 0 H HIS A 44 -2.083 -7.028 -0.439 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.497 -9.883 -0.696 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -2.916 -8.459 -2.925 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -2.924 -10.163 -2.515 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -4.574 -6.880 -1.535 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -4.992 -11.024 -0.938 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -6.811 -7.219 -0.363 1.00 0.00 H new ATOM 632 N PHE A 45 0.224 -9.235 -2.446 1.00 0.00 N ATOM 633 CA PHE A 45 1.314 -8.875 -3.341 1.00 0.00 C ATOM 634 C PHE A 45 1.017 -9.399 -4.746 1.00 0.00 C ATOM 635 O PHE A 45 0.188 -10.295 -4.933 1.00 0.00 O ATOM 636 CB PHE A 45 2.628 -9.367 -2.720 1.00 0.00 C ATOM 637 CG PHE A 45 3.106 -8.412 -1.638 1.00 0.00 C ATOM 638 CD1 PHE A 45 2.538 -8.427 -0.343 1.00 0.00 C ATOM 639 CD2 PHE A 45 4.044 -7.412 -1.970 1.00 0.00 C ATOM 640 CE1 PHE A 45 2.879 -7.431 0.575 1.00 0.00 C ATOM 641 CE2 PHE A 45 4.393 -6.423 -1.034 1.00 0.00 C ATOM 642 CZ PHE A 45 3.797 -6.424 0.237 1.00 0.00 C ATOM 0 H PHE A 45 0.190 -10.230 -2.225 1.00 0.00 H new ATOM 0 HA PHE A 45 1.417 -7.796 -3.460 1.00 0.00 H new ATOM 0 HB2 PHE A 45 2.485 -10.361 -2.296 1.00 0.00 H new ATOM 0 HB3 PHE A 45 3.390 -9.457 -3.494 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.843 -9.206 -0.065 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.497 -7.406 -2.950 1.00 0.00 H new ATOM 0 HE1 PHE A 45 2.431 -7.436 1.558 1.00 0.00 H new ATOM 0 HE2 PHE A 45 5.117 -5.665 -1.292 1.00 0.00 H new ATOM 0 HZ PHE A 45 4.044 -5.653 0.952 1.00 0.00 H new ATOM 652 N ILE A 46 1.655 -8.797 -5.746 1.00 0.00 N ATOM 653 CA ILE A 46 1.516 -9.176 -7.157 1.00 0.00 C ATOM 654 C ILE A 46 2.770 -9.902 -7.591 1.00 0.00 C ATOM 655 O ILE A 46 3.865 -9.791 -7.032 1.00 0.00 O ATOM 656 CB ILE A 46 1.206 -7.934 -8.030 1.00 0.00 C ATOM 657 CG1 ILE A 46 -0.102 -7.247 -7.553 1.00 0.00 C ATOM 658 CG2 ILE A 46 1.176 -8.198 -9.558 1.00 0.00 C ATOM 659 CD1 ILE A 46 -1.342 -7.586 -8.374 1.00 0.00 C ATOM 0 H ILE A 46 2.296 -8.017 -5.600 1.00 0.00 H new ATOM 0 HA ILE A 46 0.671 -9.853 -7.287 1.00 0.00 H new ATOM 0 HB ILE A 46 2.050 -7.259 -7.884 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.284 -7.526 -6.515 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.044 -6.167 -7.572 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.951 -7.270 -10.083 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.147 -8.572 -9.882 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.408 -8.938 -9.784 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.204 -7.060 -7.965 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.188 -7.281 -9.409 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.521 -8.660 -8.336 1.00 0.00 H new ATOM 671 N TYR A 47 2.526 -10.717 -8.596 1.00 0.00 N ATOM 672 CA TYR A 47 3.291 -11.870 -8.959 1.00 0.00 C ATOM 673 C TYR A 47 3.353 -11.886 -10.480 1.00 0.00 C ATOM 674 O TYR A 47 2.342 -11.645 -11.146 1.00 0.00 O ATOM 675 CB TYR A 47 2.555 -13.076 -8.363 1.00 0.00 C ATOM 676 CG TYR A 47 2.715 -13.242 -6.859 1.00 0.00 C ATOM 677 CD1 TYR A 47 3.897 -13.795 -6.328 1.00 0.00 C ATOM 678 CD2 TYR A 47 1.687 -12.836 -5.987 1.00 0.00 C ATOM 679 CE1 TYR A 47 4.077 -13.894 -4.934 1.00 0.00 C ATOM 680 CE2 TYR A 47 1.854 -12.950 -4.593 1.00 0.00 C ATOM 681 CZ TYR A 47 3.054 -13.464 -4.060 1.00 0.00 C ATOM 682 OH TYR A 47 3.212 -13.548 -2.710 1.00 0.00 O ATOM 0 H TYR A 47 1.730 -10.572 -9.218 1.00 0.00 H new ATOM 0 HA TYR A 47 4.314 -11.879 -8.584 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.493 -12.986 -8.593 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.912 -13.981 -8.854 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.671 -14.146 -6.995 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.768 -12.436 -6.388 1.00 0.00 H new ATOM 0 HE1 TYR A 47 4.995 -14.298 -4.534 1.00 0.00 H new ATOM 0 HE2 TYR A 47 1.059 -12.642 -3.929 1.00 0.00 H new ATOM 0 HH TYR A 47 2.409 -13.206 -2.265 1.00 0.00 H new ATOM 793 N SER A 54 6.651 -9.300 -7.670 1.00 0.00 N ATOM 794 CA SER A 54 6.972 -8.065 -8.396 1.00 0.00 C ATOM 795 C SER A 54 7.008 -6.870 -7.425 1.00 0.00 C ATOM 796 O SER A 54 6.546 -6.972 -6.285 1.00 0.00 O ATOM 797 CB SER A 54 5.917 -7.861 -9.497 1.00 0.00 C ATOM 798 OG SER A 54 6.275 -6.779 -10.338 1.00 0.00 O ATOM 0 HA SER A 54 7.958 -8.140 -8.854 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.820 -8.771 -10.088 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.944 -7.670 -9.045 1.00 0.00 H new ATOM 0 HG SER A 54 5.593 -6.665 -11.033 1.00 0.00 H new ATOM 804 N GLY A 55 7.505 -5.714 -7.875 1.00 0.00 N ATOM 805 CA GLY A 55 7.412 -4.429 -7.157 1.00 0.00 C ATOM 806 C GLY A 55 6.017 -3.806 -7.227 1.00 0.00 C ATOM 807 O GLY A 55 5.883 -2.601 -7.430 1.00 0.00 O ATOM 0 H GLY A 55 7.994 -5.639 -8.767 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.684 -4.582 -6.113 1.00 0.00 H new ATOM 0 HA3 GLY A 55 8.137 -3.731 -7.576 1.00 0.00 H new ATOM 811 N GLU A 56 4.975 -4.626 -7.103 1.00 0.00 N ATOM 812 CA GLU A 56 3.567 -4.232 -7.122 1.00 0.00 C ATOM 813 C GLU A 56 2.755 -5.075 -6.122 1.00 0.00 C ATOM 814 O GLU A 56 3.096 -6.222 -5.814 1.00 0.00 O ATOM 815 CB GLU A 56 2.978 -4.347 -8.543 1.00 0.00 C ATOM 816 CG GLU A 56 3.372 -3.172 -9.448 1.00 0.00 C ATOM 817 CD GLU A 56 2.650 -3.233 -10.804 1.00 0.00 C ATOM 818 OE1 GLU A 56 2.891 -4.174 -11.598 1.00 0.00 O ATOM 819 OE2 GLU A 56 1.834 -2.323 -11.086 1.00 0.00 O ATOM 0 H GLU A 56 5.095 -5.631 -6.981 1.00 0.00 H new ATOM 0 HA GLU A 56 3.504 -3.187 -6.819 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.316 -5.278 -8.997 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.891 -4.400 -8.478 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.132 -2.233 -8.950 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.450 -3.182 -9.609 1.00 0.00 H new ATOM 826 N ALA A 57 1.675 -4.490 -5.607 1.00 0.00 N ATOM 827 CA ALA A 57 0.837 -5.023 -4.540 1.00 0.00 C ATOM 828 C ALA A 57 -0.506 -4.271 -4.456 1.00 0.00 C ATOM 829 O ALA A 57 -0.715 -3.274 -5.145 1.00 0.00 O ATOM 830 CB ALA A 57 1.628 -4.883 -3.234 1.00 0.00 C ATOM 0 H ALA A 57 1.346 -3.584 -5.942 1.00 0.00 H new ATOM 0 HA ALA A 57 0.594 -6.068 -4.733 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.035 -5.272 -2.406 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.558 -5.446 -3.310 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.854 -3.832 -3.056 1.00 0.00 H new ATOM 836 N PHE A 58 -1.412 -4.736 -3.596 1.00 0.00 N ATOM 837 CA PHE A 58 -2.750 -4.166 -3.359 1.00 0.00 C ATOM 838 C PHE A 58 -3.188 -4.462 -1.901 1.00 0.00 C ATOM 839 O PHE A 58 -2.997 -5.572 -1.403 1.00 0.00 O ATOM 840 CB PHE A 58 -3.740 -4.831 -4.318 1.00 0.00 C ATOM 841 CG PHE A 58 -3.770 -4.272 -5.742 1.00 0.00 C ATOM 842 CD1 PHE A 58 -2.863 -4.756 -6.705 1.00 0.00 C ATOM 843 CD2 PHE A 58 -4.693 -3.280 -6.133 1.00 0.00 C ATOM 844 CE1 PHE A 58 -2.848 -4.244 -8.014 1.00 0.00 C ATOM 845 CE2 PHE A 58 -4.747 -2.841 -7.468 1.00 0.00 C ATOM 846 CZ PHE A 58 -3.804 -3.293 -8.403 1.00 0.00 C ATOM 0 H PHE A 58 -1.231 -5.556 -3.017 1.00 0.00 H new ATOM 0 HA PHE A 58 -2.727 -3.088 -3.521 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.506 -5.894 -4.371 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.740 -4.745 -3.894 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -2.166 -5.535 -6.433 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -5.364 -2.854 -5.401 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -2.103 -4.582 -8.719 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -5.519 -2.152 -7.775 1.00 0.00 H new ATOM 0 HZ PHE A 58 -3.814 -2.912 -9.414 1.00 0.00 H new ATOM 856 N VAL A 59 -3.806 -3.504 -1.212 1.00 0.00 N ATOM 857 CA VAL A 59 -4.064 -3.510 0.247 1.00 0.00 C ATOM 858 C VAL A 59 -5.446 -2.925 0.564 1.00 0.00 C ATOM 859 O VAL A 59 -5.640 -1.718 0.477 1.00 0.00 O ATOM 860 CB VAL A 59 -2.959 -2.721 0.989 1.00 0.00 C ATOM 861 CG1 VAL A 59 -3.233 -2.622 2.496 1.00 0.00 C ATOM 862 CG2 VAL A 59 -1.603 -3.428 0.851 1.00 0.00 C ATOM 0 H VAL A 59 -4.160 -2.661 -1.665 1.00 0.00 H new ATOM 0 HA VAL A 59 -4.049 -4.544 0.592 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.949 -1.729 0.537 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.431 -2.060 2.975 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -4.182 -2.112 2.660 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.280 -3.623 2.924 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.840 -2.857 1.380 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.669 -4.428 1.279 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.336 -3.501 -0.203 1.00 0.00 H new ATOM 872 N GLU A 60 -6.407 -3.764 0.955 1.00 0.00 N ATOM 873 CA GLU A 60 -7.681 -3.389 1.593 1.00 0.00 C ATOM 874 C GLU A 60 -7.431 -2.648 2.920 1.00 0.00 C ATOM 875 O GLU A 60 -7.218 -3.269 3.966 1.00 0.00 O ATOM 876 CB GLU A 60 -8.552 -4.634 1.866 1.00 0.00 C ATOM 877 CG GLU A 60 -9.128 -5.316 0.618 1.00 0.00 C ATOM 878 CD GLU A 60 -9.888 -6.624 0.923 1.00 0.00 C ATOM 879 OE1 GLU A 60 -10.078 -6.990 2.107 1.00 0.00 O ATOM 880 OE2 GLU A 60 -10.350 -7.281 -0.038 1.00 0.00 O ATOM 0 H GLU A 60 -6.319 -4.773 0.832 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.208 -2.729 0.904 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.955 -5.362 2.415 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.378 -4.344 2.516 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.802 -4.623 0.114 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.315 -5.531 -0.076 1.00 0.00 H new ATOM 887 N LEU A 61 -7.437 -1.314 2.896 1.00 0.00 N ATOM 888 CA LEU A 61 -7.343 -0.504 4.112 1.00 0.00 C ATOM 889 C LEU A 61 -8.586 -0.636 5.011 1.00 0.00 C ATOM 890 O LEU A 61 -9.594 -1.230 4.634 1.00 0.00 O ATOM 891 CB LEU A 61 -6.983 0.958 3.794 1.00 0.00 C ATOM 892 CG LEU A 61 -5.492 1.126 3.525 1.00 0.00 C ATOM 893 CD1 LEU A 61 -5.053 2.194 2.571 1.00 0.00 C ATOM 894 CD2 LEU A 61 -4.624 1.242 4.763 1.00 0.00 C ATOM 0 H LEU A 61 -7.507 -0.767 2.038 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.518 -0.907 4.699 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -7.549 1.291 2.924 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -7.276 1.595 4.629 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.334 0.171 3.024 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.966 2.184 2.489 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.493 2.010 1.591 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.380 3.167 2.938 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.581 1.358 4.467 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.935 2.110 5.345 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.731 0.342 5.368 1.00 0.00 H new ATOM 906 N GLY A 62 -8.512 -0.098 6.230 1.00 0.00 N ATOM 907 CA GLY A 62 -9.531 -0.303 7.268 1.00 0.00 C ATOM 908 C GLY A 62 -10.619 0.780 7.345 1.00 0.00 C ATOM 909 O GLY A 62 -11.593 0.626 8.084 1.00 0.00 O ATOM 0 H GLY A 62 -7.739 0.497 6.529 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.012 -1.266 7.096 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -9.033 -0.363 8.236 1.00 0.00 H new ATOM 913 N SER A 63 -10.499 1.815 6.511 1.00 0.00 N ATOM 914 CA SER A 63 -11.525 2.799 6.145 1.00 0.00 C ATOM 915 C SER A 63 -11.061 3.552 4.888 1.00 0.00 C ATOM 916 O SER A 63 -9.891 3.456 4.514 1.00 0.00 O ATOM 917 CB SER A 63 -11.767 3.769 7.306 1.00 0.00 C ATOM 918 OG SER A 63 -10.666 4.632 7.506 1.00 0.00 O ATOM 0 H SER A 63 -9.616 2.003 6.037 1.00 0.00 H new ATOM 0 HA SER A 63 -12.467 2.293 5.933 1.00 0.00 H new ATOM 0 HB2 SER A 63 -12.661 4.360 7.106 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.957 3.204 8.219 1.00 0.00 H new ATOM 0 HG SER A 63 -9.978 4.169 8.029 1.00 0.00 H new ATOM 924 N GLU A 64 -11.904 4.347 4.222 1.00 0.00 N ATOM 925 CA GLU A 64 -11.407 5.221 3.139 1.00 0.00 C ATOM 926 C GLU A 64 -10.583 6.403 3.680 1.00 0.00 C ATOM 927 O GLU A 64 -9.869 7.054 2.924 1.00 0.00 O ATOM 928 CB GLU A 64 -12.538 5.718 2.224 1.00 0.00 C ATOM 929 CG GLU A 64 -12.106 5.601 0.743 1.00 0.00 C ATOM 930 CD GLU A 64 -12.633 6.714 -0.180 1.00 0.00 C ATOM 931 OE1 GLU A 64 -12.843 7.862 0.286 1.00 0.00 O ATOM 932 OE2 GLU A 64 -12.786 6.446 -1.398 1.00 0.00 O ATOM 0 H GLU A 64 -12.906 4.409 4.401 1.00 0.00 H new ATOM 0 HA GLU A 64 -10.743 4.603 2.534 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -13.441 5.132 2.396 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -12.780 6.754 2.461 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -11.017 5.598 0.697 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -12.444 4.639 0.357 1.00 0.00 H new ATOM 939 N ASP A 65 -10.635 6.718 4.971 1.00 0.00 N ATOM 940 CA ASP A 65 -9.707 7.664 5.578 1.00 0.00 C ATOM 941 C ASP A 65 -8.340 7.004 5.847 1.00 0.00 C ATOM 942 O ASP A 65 -7.319 7.676 5.734 1.00 0.00 O ATOM 943 CB ASP A 65 -10.370 8.258 6.820 1.00 0.00 C ATOM 944 CG ASP A 65 -11.365 9.392 6.479 1.00 0.00 C ATOM 945 OD1 ASP A 65 -11.831 9.502 5.316 1.00 0.00 O ATOM 946 OD2 ASP A 65 -11.680 10.194 7.392 1.00 0.00 O ATOM 0 H ASP A 65 -11.317 6.327 5.621 1.00 0.00 H new ATOM 0 HA ASP A 65 -9.488 8.486 4.896 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -10.895 7.469 7.359 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -9.600 8.644 7.489 1.00 0.00 H new ATOM 951 N ASP A 66 -8.276 5.684 6.061 1.00 0.00 N ATOM 952 CA ASP A 66 -7.049 4.892 5.877 1.00 0.00 C ATOM 953 C ASP A 66 -6.545 4.961 4.428 1.00 0.00 C ATOM 954 O ASP A 66 -5.352 5.194 4.233 1.00 0.00 O ATOM 955 CB ASP A 66 -7.214 3.464 6.399 1.00 0.00 C ATOM 956 CG ASP A 66 -7.352 3.397 7.920 1.00 0.00 C ATOM 957 OD1 ASP A 66 -6.302 3.329 8.602 1.00 0.00 O ATOM 958 OD2 ASP A 66 -8.496 3.340 8.424 1.00 0.00 O ATOM 0 H ASP A 66 -9.076 5.131 6.368 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.265 5.340 6.487 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.094 3.014 5.940 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.354 2.869 6.091 1.00 0.00 H new ATOM 963 N VAL A 67 -7.403 4.873 3.399 1.00 0.00 N ATOM 964 CA VAL A 67 -6.951 5.034 2.005 1.00 0.00 C ATOM 965 C VAL A 67 -6.249 6.368 1.791 1.00 0.00 C ATOM 966 O VAL A 67 -5.117 6.413 1.320 1.00 0.00 O ATOM 967 CB VAL A 67 -8.052 4.813 0.960 1.00 0.00 C ATOM 968 CG1 VAL A 67 -8.852 3.542 1.196 1.00 0.00 C ATOM 969 CG2 VAL A 67 -8.636 5.984 0.156 1.00 0.00 C ATOM 0 H VAL A 67 -8.402 4.694 3.502 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.228 4.234 1.846 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.499 4.607 0.043 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.615 3.443 0.423 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.185 2.680 1.160 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.331 3.590 2.174 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.400 5.612 -0.527 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.081 6.708 0.839 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.842 6.465 -0.415 1.00 0.00 H new ATOM 979 N LYS A 68 -6.900 7.446 2.222 1.00 0.00 N ATOM 980 CA LYS A 68 -6.390 8.815 2.276 1.00 0.00 C ATOM 981 C LYS A 68 -5.079 8.947 3.056 1.00 0.00 C ATOM 982 O LYS A 68 -4.165 9.604 2.562 1.00 0.00 O ATOM 983 CB LYS A 68 -7.500 9.682 2.874 1.00 0.00 C ATOM 984 CG LYS A 68 -8.612 9.980 1.861 1.00 0.00 C ATOM 985 CD LYS A 68 -9.714 10.858 2.478 1.00 0.00 C ATOM 986 CE LYS A 68 -11.081 10.519 1.875 1.00 0.00 C ATOM 987 NZ LYS A 68 -11.622 9.272 2.460 1.00 0.00 N ATOM 0 H LYS A 68 -7.859 7.383 2.565 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.136 9.146 1.269 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -7.926 9.177 3.741 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.074 10.620 3.230 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -8.189 10.483 0.991 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -9.045 9.044 1.509 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -9.741 10.710 3.558 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -9.486 11.910 2.306 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -11.775 11.340 2.053 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -10.989 10.408 0.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -12.362 8.889 1.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -10.857 8.575 2.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -12.028 9.475 3.396 1.00 0.00 H new ATOM 1001 N MET A 69 -4.932 8.286 4.209 1.00 0.00 N ATOM 1002 CA MET A 69 -3.661 8.213 4.952 1.00 0.00 C ATOM 1003 C MET A 69 -2.539 7.587 4.119 1.00 0.00 C ATOM 1004 O MET A 69 -1.395 8.042 4.204 1.00 0.00 O ATOM 1005 CB MET A 69 -3.817 7.390 6.230 1.00 0.00 C ATOM 1006 CG MET A 69 -4.725 8.032 7.265 1.00 0.00 C ATOM 1007 SD MET A 69 -3.895 8.892 8.613 1.00 0.00 S ATOM 1008 CE MET A 69 -5.348 8.874 9.687 1.00 0.00 C ATOM 0 H MET A 69 -5.695 7.781 4.660 1.00 0.00 H new ATOM 0 HA MET A 69 -3.396 9.242 5.195 1.00 0.00 H new ATOM 0 HB2 MET A 69 -4.213 6.408 5.972 1.00 0.00 H new ATOM 0 HB3 MET A 69 -2.833 7.232 6.672 1.00 0.00 H new ATOM 0 HG2 MET A 69 -5.380 8.740 6.757 1.00 0.00 H new ATOM 0 HG3 MET A 69 -5.362 7.257 7.692 1.00 0.00 H new ATOM 0 HE1 MET A 69 -5.119 9.394 10.617 1.00 0.00 H new ATOM 0 HE2 MET A 69 -6.177 9.374 9.186 1.00 0.00 H new ATOM 0 HE3 MET A 69 -5.625 7.843 9.906 1.00 0.00 H new ATOM 1018 N ALA A 70 -2.865 6.577 3.310 1.00 0.00 N ATOM 1019 CA ALA A 70 -1.947 5.965 2.356 1.00 0.00 C ATOM 1020 C ALA A 70 -1.650 6.864 1.139 1.00 0.00 C ATOM 1021 O ALA A 70 -0.500 6.944 0.702 1.00 0.00 O ATOM 1022 CB ALA A 70 -2.478 4.567 2.008 1.00 0.00 C ATOM 0 H ALA A 70 -3.794 6.156 3.302 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.963 5.849 2.811 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.806 4.090 1.295 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.534 3.963 2.914 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -3.472 4.654 1.568 1.00 0.00 H new ATOM 1028 N LEU A 71 -2.632 7.632 0.653 1.00 0.00 N ATOM 1029 CA LEU A 71 -2.436 8.651 -0.383 1.00 0.00 C ATOM 1030 C LEU A 71 -1.499 9.794 0.042 1.00 0.00 C ATOM 1031 O LEU A 71 -0.818 10.358 -0.817 1.00 0.00 O ATOM 1032 CB LEU A 71 -3.763 9.265 -0.850 1.00 0.00 C ATOM 1033 CG LEU A 71 -4.849 8.309 -1.382 1.00 0.00 C ATOM 1034 CD1 LEU A 71 -5.847 9.116 -2.202 1.00 0.00 C ATOM 1035 CD2 LEU A 71 -4.354 7.134 -2.225 1.00 0.00 C ATOM 0 H LEU A 71 -3.598 7.562 0.973 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.966 8.109 -1.203 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.187 9.822 -0.014 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.540 9.988 -1.634 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.293 7.855 -0.496 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.623 8.453 -2.586 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.302 9.880 -1.572 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.332 9.593 -3.036 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.204 6.531 -2.543 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.828 7.511 -3.102 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.676 6.521 -1.632 1.00 0.00 H new ATOM 1047 N LYS A 72 -1.393 10.118 1.344 1.00 0.00 N ATOM 1048 CA LYS A 72 -0.385 11.087 1.838 1.00 0.00 C ATOM 1049 C LYS A 72 1.043 10.754 1.390 1.00 0.00 C ATOM 1050 O LYS A 72 1.880 11.649 1.270 1.00 0.00 O ATOM 1051 CB LYS A 72 -0.365 11.202 3.372 1.00 0.00 C ATOM 1052 CG LYS A 72 -1.742 11.412 3.998 1.00 0.00 C ATOM 1053 CD LYS A 72 -1.718 11.775 5.491 1.00 0.00 C ATOM 1054 CE LYS A 72 -0.626 11.121 6.360 1.00 0.00 C ATOM 1055 NZ LYS A 72 -0.806 9.659 6.548 1.00 0.00 N ATOM 0 H LYS A 72 -1.989 9.727 2.074 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.699 12.033 1.396 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.077 10.297 3.788 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.282 12.032 3.655 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.257 12.203 3.454 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -2.328 10.502 3.868 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.612 12.857 5.573 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.688 11.516 5.917 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.347 11.302 5.902 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.614 11.605 7.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.030 9.265 7.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.650 9.485 7.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.924 9.202 5.621 1.00 0.00 H new ATOM 1069 N LYS A 73 1.312 9.463 1.151 1.00 0.00 N ATOM 1070 CA LYS A 73 2.617 8.907 0.789 1.00 0.00 C ATOM 1071 C LYS A 73 2.736 8.526 -0.689 1.00 0.00 C ATOM 1072 O LYS A 73 3.668 7.810 -1.040 1.00 0.00 O ATOM 1073 CB LYS A 73 2.917 7.664 1.646 1.00 0.00 C ATOM 1074 CG LYS A 73 2.725 7.767 3.159 1.00 0.00 C ATOM 1075 CD LYS A 73 3.808 8.563 3.895 1.00 0.00 C ATOM 1076 CE LYS A 73 3.568 8.490 5.409 1.00 0.00 C ATOM 1077 NZ LYS A 73 4.025 7.204 5.996 1.00 0.00 N ATOM 0 H LYS A 73 0.589 8.746 1.208 1.00 0.00 H new ATOM 0 HA LYS A 73 3.341 9.699 0.978 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.287 6.851 1.285 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.951 7.373 1.460 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.758 8.229 3.357 1.00 0.00 H new ATOM 0 HG3 LYS A 73 2.689 6.760 3.575 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.793 8.163 3.654 1.00 0.00 H new ATOM 0 HD3 LYS A 73 3.796 9.602 3.565 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.089 9.314 5.896 1.00 0.00 H new ATOM 0 HE3 LYS A 73 2.505 8.621 5.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 3.405 6.945 6.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 3.989 6.459 5.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.002 7.306 6.339 1.00 0.00 H new ATOM 1091 N ASP A 74 1.811 8.941 -1.559 1.00 0.00 N ATOM 1092 CA ASP A 74 1.614 8.322 -2.881 1.00 0.00 C ATOM 1093 C ASP A 74 2.754 8.413 -3.922 1.00 0.00 C ATOM 1094 O ASP A 74 2.520 8.053 -5.072 1.00 0.00 O ATOM 1095 CB ASP A 74 0.273 8.734 -3.512 1.00 0.00 C ATOM 1096 CG ASP A 74 0.303 10.041 -4.325 1.00 0.00 C ATOM 1097 OD1 ASP A 74 1.025 11.000 -3.968 1.00 0.00 O ATOM 1098 OD2 ASP A 74 -0.364 10.109 -5.384 1.00 0.00 O ATOM 0 H ASP A 74 1.175 9.716 -1.370 1.00 0.00 H new ATOM 0 HA ASP A 74 1.615 7.264 -2.618 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -0.066 7.928 -4.163 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -0.467 8.836 -2.718 1.00 0.00 H new ATOM 1103 N ARG A 75 3.963 8.856 -3.558 1.00 0.00 N ATOM 1104 CA ARG A 75 5.218 8.731 -4.315 1.00 0.00 C ATOM 1105 C ARG A 75 6.468 8.764 -3.417 1.00 0.00 C ATOM 1106 O ARG A 75 7.554 9.151 -3.851 1.00 0.00 O ATOM 1107 CB ARG A 75 5.217 9.795 -5.432 1.00 0.00 C ATOM 1108 CG ARG A 75 5.283 9.114 -6.804 1.00 0.00 C ATOM 1109 CD ARG A 75 4.734 9.986 -7.948 1.00 0.00 C ATOM 1110 NE ARG A 75 3.305 9.697 -8.193 1.00 0.00 N ATOM 1111 CZ ARG A 75 2.254 10.119 -7.514 1.00 0.00 C ATOM 1112 NH1 ARG A 75 2.279 11.116 -6.678 1.00 0.00 N ATOM 1113 NH2 ARG A 75 1.127 9.501 -7.664 1.00 0.00 N ATOM 0 H ARG A 75 4.102 9.342 -2.672 1.00 0.00 H new ATOM 0 HA ARG A 75 5.270 7.745 -4.778 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.317 10.406 -5.363 1.00 0.00 H new ATOM 0 HB3 ARG A 75 6.068 10.465 -5.308 1.00 0.00 H new ATOM 0 HG2 ARG A 75 6.318 8.852 -7.022 1.00 0.00 H new ATOM 0 HG3 ARG A 75 4.720 8.182 -6.766 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.858 11.040 -7.699 1.00 0.00 H new ATOM 0 HD3 ARG A 75 5.307 9.803 -8.857 1.00 0.00 H new ATOM 0 HE ARG A 75 3.105 9.093 -8.990 1.00 0.00 H new ATOM 0 HH11 ARG A 75 3.149 11.623 -6.515 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.429 11.390 -6.186 1.00 0.00 H new ATOM 0 HH21 ARG A 75 1.063 8.704 -8.297 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.303 9.811 -7.149 1.00 0.00 H new ATOM 1127 N GLU A 76 6.309 8.372 -2.152 1.00 0.00 N ATOM 1128 CA GLU A 76 7.401 8.133 -1.200 1.00 0.00 C ATOM 1129 C GLU A 76 8.291 6.938 -1.614 1.00 0.00 C ATOM 1130 O GLU A 76 8.218 6.404 -2.723 1.00 0.00 O ATOM 1131 CB GLU A 76 6.810 7.893 0.205 1.00 0.00 C ATOM 1132 CG GLU A 76 6.284 9.119 0.933 1.00 0.00 C ATOM 1133 CD GLU A 76 7.297 10.276 1.053 1.00 0.00 C ATOM 1134 OE1 GLU A 76 8.509 10.021 1.263 1.00 0.00 O ATOM 1135 OE2 GLU A 76 6.884 11.456 0.963 1.00 0.00 O ATOM 0 H GLU A 76 5.388 8.206 -1.746 1.00 0.00 H new ATOM 0 HA GLU A 76 8.038 9.018 -1.194 1.00 0.00 H new ATOM 0 HB2 GLU A 76 5.996 7.173 0.115 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.578 7.430 0.825 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.397 9.482 0.413 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.968 8.824 1.934 1.00 0.00 H new ATOM 1142 N SER A 77 9.114 6.488 -0.673 1.00 0.00 N ATOM 1143 CA SER A 77 9.990 5.315 -0.754 1.00 0.00 C ATOM 1144 C SER A 77 9.947 4.493 0.546 1.00 0.00 C ATOM 1145 O SER A 77 9.747 5.036 1.638 1.00 0.00 O ATOM 1146 CB SER A 77 11.428 5.752 -1.078 1.00 0.00 C ATOM 1147 OG SER A 77 11.909 6.746 -0.176 1.00 0.00 O ATOM 0 H SER A 77 9.195 6.961 0.227 1.00 0.00 H new ATOM 0 HA SER A 77 9.629 4.674 -1.558 1.00 0.00 H new ATOM 0 HB2 SER A 77 12.086 4.884 -1.042 1.00 0.00 H new ATOM 0 HB3 SER A 77 11.467 6.139 -2.096 1.00 0.00 H new ATOM 0 HG SER A 77 12.826 6.992 -0.419 1.00 0.00 H new ATOM 1194 N ARG A 81 13.725 2.069 -3.113 1.00 0.00 N ATOM 1195 CA ARG A 81 12.604 1.698 -3.981 1.00 0.00 C ATOM 1196 C ARG A 81 11.390 2.556 -3.649 1.00 0.00 C ATOM 1197 O ARG A 81 11.161 2.913 -2.492 1.00 0.00 O ATOM 1198 CB ARG A 81 12.273 0.222 -3.718 1.00 0.00 C ATOM 1199 CG ARG A 81 13.307 -0.778 -4.276 1.00 0.00 C ATOM 1200 CD ARG A 81 13.081 -1.261 -5.719 1.00 0.00 C ATOM 1201 NE ARG A 81 12.298 -0.349 -6.568 1.00 0.00 N ATOM 1202 CZ ARG A 81 12.716 0.600 -7.379 1.00 0.00 C ATOM 1203 NH1 ARG A 81 13.955 0.993 -7.424 1.00 0.00 N ATOM 1204 NH2 ARG A 81 11.851 1.197 -8.145 1.00 0.00 N ATOM 0 HA ARG A 81 12.868 1.852 -5.027 1.00 0.00 H new ATOM 0 HB2 ARG A 81 12.184 0.070 -2.642 1.00 0.00 H new ATOM 0 HB3 ARG A 81 11.299 -0.002 -4.154 1.00 0.00 H new ATOM 0 HG2 ARG A 81 14.293 -0.317 -4.221 1.00 0.00 H new ATOM 0 HG3 ARG A 81 13.326 -1.650 -3.623 1.00 0.00 H new ATOM 0 HD2 ARG A 81 14.052 -1.424 -6.187 1.00 0.00 H new ATOM 0 HD3 ARG A 81 12.576 -2.226 -5.687 1.00 0.00 H new ATOM 0 HE ARG A 81 11.286 -0.469 -6.521 1.00 0.00 H new ATOM 0 HH11 ARG A 81 14.649 0.562 -6.814 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.232 1.733 -8.069 1.00 0.00 H new ATOM 0 HH21 ARG A 81 10.868 0.927 -8.111 1.00 0.00 H new ATOM 0 HH22 ARG A 81 12.156 1.935 -8.780 1.00 0.00 H new ATOM 1218 N TYR A 82 10.615 2.867 -4.678 1.00 0.00 N ATOM 1219 CA TYR A 82 9.507 3.824 -4.596 1.00 0.00 C ATOM 1220 C TYR A 82 8.188 3.143 -4.226 1.00 0.00 C ATOM 1221 O TYR A 82 7.967 1.969 -4.515 1.00 0.00 O ATOM 1222 CB TYR A 82 9.369 4.590 -5.920 1.00 0.00 C ATOM 1223 CG TYR A 82 10.504 5.566 -6.175 1.00 0.00 C ATOM 1224 CD1 TYR A 82 10.549 6.784 -5.465 1.00 0.00 C ATOM 1225 CD2 TYR A 82 11.510 5.262 -7.113 1.00 0.00 C ATOM 1226 CE1 TYR A 82 11.600 7.694 -5.689 1.00 0.00 C ATOM 1227 CE2 TYR A 82 12.561 6.173 -7.341 1.00 0.00 C ATOM 1228 CZ TYR A 82 12.609 7.393 -6.628 1.00 0.00 C ATOM 1229 OH TYR A 82 13.618 8.282 -6.844 1.00 0.00 O ATOM 0 H TYR A 82 10.734 2.461 -5.606 1.00 0.00 H new ATOM 0 HA TYR A 82 9.739 4.530 -3.799 1.00 0.00 H new ATOM 0 HB2 TYR A 82 9.324 3.875 -6.741 1.00 0.00 H new ATOM 0 HB3 TYR A 82 8.425 5.135 -5.919 1.00 0.00 H new ATOM 0 HD1 TYR A 82 9.776 7.019 -4.748 1.00 0.00 H new ATOM 0 HD2 TYR A 82 11.476 4.330 -7.658 1.00 0.00 H new ATOM 0 HE1 TYR A 82 11.634 8.624 -5.141 1.00 0.00 H new ATOM 0 HE2 TYR A 82 13.331 5.939 -8.061 1.00 0.00 H new ATOM 0 HH TYR A 82 14.231 7.924 -7.520 1.00 0.00 H new ATOM 1239 N ILE A 83 7.286 3.899 -3.610 1.00 0.00 N ATOM 1240 CA ILE A 83 5.993 3.409 -3.144 1.00 0.00 C ATOM 1241 C ILE A 83 4.902 4.379 -3.603 1.00 0.00 C ATOM 1242 O ILE A 83 4.403 5.213 -2.847 1.00 0.00 O ATOM 1243 CB ILE A 83 5.993 3.159 -1.619 1.00 0.00 C ATOM 1244 CG1 ILE A 83 7.232 2.434 -1.048 1.00 0.00 C ATOM 1245 CG2 ILE A 83 4.720 2.378 -1.272 1.00 0.00 C ATOM 1246 CD1 ILE A 83 7.425 0.971 -1.458 1.00 0.00 C ATOM 0 H ILE A 83 7.436 4.889 -3.417 1.00 0.00 H new ATOM 0 HA ILE A 83 5.784 2.435 -3.587 1.00 0.00 H new ATOM 0 HB ILE A 83 6.027 4.142 -1.149 1.00 0.00 H new ATOM 0 HG12 ILE A 83 8.120 2.991 -1.348 1.00 0.00 H new ATOM 0 HG13 ILE A 83 7.180 2.478 0.040 1.00 0.00 H new ATOM 0 HG21 ILE A 83 4.692 2.186 -0.199 1.00 0.00 H new ATOM 0 HG22 ILE A 83 3.845 2.962 -1.559 1.00 0.00 H new ATOM 0 HG23 ILE A 83 4.717 1.430 -1.810 1.00 0.00 H new ATOM 0 HD11 ILE A 83 8.328 0.579 -0.991 1.00 0.00 H new ATOM 0 HD12 ILE A 83 6.565 0.386 -1.133 1.00 0.00 H new ATOM 0 HD13 ILE A 83 7.519 0.906 -2.542 1.00 0.00 H new ATOM 1258 N GLU A 84 4.564 4.313 -4.890 1.00 0.00 N ATOM 1259 CA GLU A 84 3.361 4.954 -5.401 1.00 0.00 C ATOM 1260 C GLU A 84 2.117 4.238 -4.849 1.00 0.00 C ATOM 1261 O GLU A 84 2.044 3.008 -4.879 1.00 0.00 O ATOM 1262 CB GLU A 84 3.403 4.991 -6.937 1.00 0.00 C ATOM 1263 CG GLU A 84 2.181 5.700 -7.512 1.00 0.00 C ATOM 1264 CD GLU A 84 2.410 6.207 -8.944 1.00 0.00 C ATOM 1265 OE1 GLU A 84 2.988 5.467 -9.776 1.00 0.00 O ATOM 1266 OE2 GLU A 84 2.015 7.360 -9.244 1.00 0.00 O ATOM 0 H GLU A 84 5.110 3.820 -5.597 1.00 0.00 H new ATOM 0 HA GLU A 84 3.308 5.988 -5.062 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.309 5.501 -7.265 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.451 3.974 -7.325 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.332 5.016 -7.504 1.00 0.00 H new ATOM 0 HG3 GLU A 84 1.919 6.541 -6.871 1.00 0.00 H new ATOM 1273 N VAL A 85 1.135 5.004 -4.362 1.00 0.00 N ATOM 1274 CA VAL A 85 -0.118 4.459 -3.786 1.00 0.00 C ATOM 1275 C VAL A 85 -1.318 4.961 -4.579 1.00 0.00 C ATOM 1276 O VAL A 85 -1.672 6.138 -4.528 1.00 0.00 O ATOM 1277 CB VAL A 85 -0.320 4.749 -2.282 1.00 0.00 C ATOM 1278 CG1 VAL A 85 -1.431 3.816 -1.771 1.00 0.00 C ATOM 1279 CG2 VAL A 85 0.936 4.497 -1.445 1.00 0.00 C ATOM 0 H VAL A 85 1.178 6.023 -4.352 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.028 3.376 -3.865 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.572 5.804 -2.178 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.598 3.997 -0.709 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.351 4.011 -2.321 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.132 2.778 -1.920 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.727 4.720 -0.399 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.234 3.453 -1.541 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.743 5.139 -1.798 1.00 0.00 H new ATOM 1289 N PHE A 86 -1.960 4.058 -5.312 1.00 0.00 N ATOM 1290 CA PHE A 86 -3.196 4.341 -6.032 1.00 0.00 C ATOM 1291 C PHE A 86 -4.371 3.901 -5.187 1.00 0.00 C ATOM 1292 O PHE A 86 -4.328 2.899 -4.483 1.00 0.00 O ATOM 1293 CB PHE A 86 -3.167 3.534 -7.325 1.00 0.00 C ATOM 1294 CG PHE A 86 -2.270 4.043 -8.434 1.00 0.00 C ATOM 1295 CD1 PHE A 86 -0.912 3.671 -8.447 1.00 0.00 C ATOM 1296 CD2 PHE A 86 -2.788 4.843 -9.468 1.00 0.00 C ATOM 1297 CE1 PHE A 86 -0.070 4.103 -9.485 1.00 0.00 C ATOM 1298 CE2 PHE A 86 -1.944 5.278 -10.506 1.00 0.00 C ATOM 1299 CZ PHE A 86 -0.586 4.912 -10.513 1.00 0.00 C ATOM 0 H PHE A 86 -1.633 3.098 -5.424 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.290 5.406 -6.246 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -2.861 2.516 -7.082 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -4.185 3.477 -7.712 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -0.516 3.051 -7.656 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -3.831 5.123 -9.465 1.00 0.00 H new ATOM 0 HE1 PHE A 86 0.971 3.815 -9.494 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -2.340 5.895 -11.299 1.00 0.00 H new ATOM 0 HZ PHE A 86 0.061 5.252 -11.308 1.00 0.00 H new ATOM 1309 N LYS A 87 -5.453 4.643 -5.314 1.00 0.00 N ATOM 1310 CA LYS A 87 -6.752 4.343 -4.744 1.00 0.00 C ATOM 1311 C LYS A 87 -7.464 3.398 -5.704 1.00 0.00 C ATOM 1312 O LYS A 87 -7.473 3.604 -6.920 1.00 0.00 O ATOM 1313 CB LYS A 87 -7.464 5.678 -4.534 1.00 0.00 C ATOM 1314 CG LYS A 87 -8.435 5.666 -3.353 1.00 0.00 C ATOM 1315 CD LYS A 87 -9.763 4.908 -3.500 1.00 0.00 C ATOM 1316 CE LYS A 87 -10.787 5.663 -4.353 1.00 0.00 C ATOM 1317 NZ LYS A 87 -12.179 5.314 -3.964 1.00 0.00 N ATOM 0 H LYS A 87 -5.450 5.515 -5.844 1.00 0.00 H new ATOM 0 HA LYS A 87 -6.711 3.840 -3.778 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -6.719 6.458 -4.375 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.009 5.938 -5.441 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.908 5.247 -2.496 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -8.670 6.702 -3.108 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.572 3.933 -3.948 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -10.184 4.727 -2.511 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -10.635 6.737 -4.242 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.631 5.426 -5.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.845 5.938 -4.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -12.373 4.325 -4.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -12.293 5.435 -2.937 1.00 0.00 H new ATOM 1331 N SER A 88 -8.002 2.333 -5.141 1.00 0.00 N ATOM 1332 CA SER A 88 -8.431 1.130 -5.839 1.00 0.00 C ATOM 1333 C SER A 88 -9.778 0.671 -5.270 1.00 0.00 C ATOM 1334 O SER A 88 -10.285 1.270 -4.320 1.00 0.00 O ATOM 1335 CB SER A 88 -7.321 0.097 -5.647 1.00 0.00 C ATOM 1336 OG SER A 88 -7.551 -1.095 -6.372 1.00 0.00 O ATOM 0 H SER A 88 -8.161 2.278 -4.135 1.00 0.00 H new ATOM 0 HA SER A 88 -8.586 1.293 -6.906 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.370 0.529 -5.960 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.230 -0.140 -4.587 1.00 0.00 H new ATOM 0 HG SER A 88 -7.740 -0.877 -7.309 1.00 0.00 H new ATOM 1342 N HIS A 89 -10.363 -0.392 -5.820 1.00 0.00 N ATOM 1343 CA HIS A 89 -11.488 -1.093 -5.200 1.00 0.00 C ATOM 1344 C HIS A 89 -11.299 -2.608 -5.318 1.00 0.00 C ATOM 1345 O HIS A 89 -10.599 -3.091 -6.212 1.00 0.00 O ATOM 1346 CB HIS A 89 -12.835 -0.666 -5.826 1.00 0.00 C ATOM 1347 CG HIS A 89 -13.390 0.635 -5.293 1.00 0.00 C ATOM 1348 ND1 HIS A 89 -14.428 0.761 -4.394 1.00 0.00 N ATOM 1349 CD2 HIS A 89 -12.974 1.905 -5.598 1.00 0.00 C ATOM 1350 CE1 HIS A 89 -14.613 2.067 -4.141 1.00 0.00 C ATOM 1351 NE2 HIS A 89 -13.745 2.811 -4.853 1.00 0.00 N ATOM 0 H HIS A 89 -10.070 -0.793 -6.711 1.00 0.00 H new ATOM 0 HA HIS A 89 -11.512 -0.820 -4.145 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -12.708 -0.577 -6.905 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -13.567 -1.456 -5.655 1.00 0.00 H new ATOM 0 HD1 HIS A 89 -14.964 -0.007 -3.990 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -12.188 2.164 -6.292 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -15.353 2.464 -3.462 1.00 0.00 H new ATOM 1359 N ARG A 90 -11.973 -3.379 -4.449 1.00 0.00 N ATOM 1360 CA ARG A 90 -11.954 -4.852 -4.492 1.00 0.00 C ATOM 1361 C ARG A 90 -12.342 -5.396 -5.870 1.00 0.00 C ATOM 1362 O ARG A 90 -11.753 -6.367 -6.328 1.00 0.00 O ATOM 1363 CB ARG A 90 -12.839 -5.422 -3.363 1.00 0.00 C ATOM 1364 CG ARG A 90 -12.941 -6.960 -3.330 1.00 0.00 C ATOM 1365 CD ARG A 90 -11.570 -7.645 -3.279 1.00 0.00 C ATOM 1366 NE ARG A 90 -11.673 -9.110 -3.352 1.00 0.00 N ATOM 1367 CZ ARG A 90 -11.275 -9.996 -2.464 1.00 0.00 C ATOM 1368 NH1 ARG A 90 -10.800 -9.719 -1.286 1.00 0.00 N ATOM 1369 NH2 ARG A 90 -11.336 -11.252 -2.768 1.00 0.00 N ATOM 0 H ARG A 90 -12.547 -2.999 -3.696 1.00 0.00 H new ATOM 0 HA ARG A 90 -10.931 -5.187 -4.322 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -12.447 -5.078 -2.406 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -13.842 -5.008 -3.464 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -13.526 -7.262 -2.461 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -13.481 -7.303 -4.213 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -10.956 -7.285 -4.104 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.061 -7.365 -2.357 1.00 0.00 H new ATOM 0 HE ARG A 90 -12.107 -9.486 -4.195 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -10.712 -8.748 -0.987 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -10.515 -10.473 -0.661 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -11.688 -11.539 -3.681 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -11.033 -11.955 -2.094 1.00 0.00 H new ATOM 1383 N THR A 91 -13.265 -4.736 -6.563 1.00 0.00 N ATOM 1384 CA THR A 91 -13.751 -5.107 -7.901 1.00 0.00 C ATOM 1385 C THR A 91 -12.648 -5.141 -8.971 1.00 0.00 C ATOM 1386 O THR A 91 -12.652 -6.012 -9.840 1.00 0.00 O ATOM 1387 CB THR A 91 -14.846 -4.114 -8.349 1.00 0.00 C ATOM 1388 OG1 THR A 91 -15.537 -3.561 -7.242 1.00 0.00 O ATOM 1389 CG2 THR A 91 -15.892 -4.777 -9.237 1.00 0.00 C ATOM 0 H THR A 91 -13.716 -3.896 -6.200 1.00 0.00 H new ATOM 0 HA THR A 91 -14.144 -6.120 -7.812 1.00 0.00 H new ATOM 0 HB THR A 91 -14.320 -3.336 -8.902 1.00 0.00 H new ATOM 0 HG1 THR A 91 -16.221 -2.936 -7.562 1.00 0.00 H new ATOM 0 HG21 THR A 91 -16.642 -4.041 -9.528 1.00 0.00 H new ATOM 0 HG22 THR A 91 -15.411 -5.177 -10.130 1.00 0.00 H new ATOM 0 HG23 THR A 91 -16.373 -5.588 -8.690 1.00 0.00 H new ATOM 1397 N GLU A 92 -11.673 -4.228 -8.896 1.00 0.00 N ATOM 1398 CA GLU A 92 -10.432 -4.267 -9.691 1.00 0.00 C ATOM 1399 C GLU A 92 -9.462 -5.298 -9.108 1.00 0.00 C ATOM 1400 O GLU A 92 -8.972 -6.167 -9.820 1.00 0.00 O ATOM 1401 CB GLU A 92 -9.804 -2.855 -9.677 1.00 0.00 C ATOM 1402 CG GLU A 92 -8.362 -2.768 -10.199 1.00 0.00 C ATOM 1403 CD GLU A 92 -7.848 -1.316 -10.151 1.00 0.00 C ATOM 1404 OE1 GLU A 92 -7.706 -0.751 -9.037 1.00 0.00 O ATOM 1405 OE2 GLU A 92 -7.572 -0.730 -11.226 1.00 0.00 O ATOM 0 H GLU A 92 -11.722 -3.424 -8.270 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.651 -4.562 -10.717 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -10.429 -2.192 -10.275 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -9.825 -2.477 -8.655 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -7.714 -3.408 -9.599 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -8.318 -3.140 -11.223 1.00 0.00 H new ATOM 1412 N MET A 93 -9.196 -5.240 -7.807 1.00 0.00 N ATOM 1413 CA MET A 93 -8.208 -6.088 -7.147 1.00 0.00 C ATOM 1414 C MET A 93 -8.435 -7.604 -7.357 1.00 0.00 C ATOM 1415 O MET A 93 -7.495 -8.377 -7.537 1.00 0.00 O ATOM 1416 CB MET A 93 -8.268 -5.758 -5.665 1.00 0.00 C ATOM 1417 CG MET A 93 -6.998 -6.229 -4.976 1.00 0.00 C ATOM 1418 SD MET A 93 -7.061 -6.093 -3.183 1.00 0.00 S ATOM 1419 CE MET A 93 -8.070 -7.553 -3.012 1.00 0.00 C ATOM 0 H MET A 93 -9.666 -4.594 -7.173 1.00 0.00 H new ATOM 0 HA MET A 93 -7.231 -5.882 -7.585 1.00 0.00 H new ATOM 0 HB2 MET A 93 -8.389 -4.683 -5.528 1.00 0.00 H new ATOM 0 HB3 MET A 93 -9.136 -6.237 -5.212 1.00 0.00 H new ATOM 0 HG2 MET A 93 -6.811 -7.268 -5.247 1.00 0.00 H new ATOM 0 HG3 MET A 93 -6.155 -5.646 -5.347 1.00 0.00 H new ATOM 0 HE1 MET A 93 -8.625 -7.504 -2.075 1.00 0.00 H new ATOM 0 HE2 MET A 93 -8.770 -7.611 -3.846 1.00 0.00 H new ATOM 0 HE3 MET A 93 -7.433 -8.437 -3.010 1.00 0.00 H new ATOM 1429 N ASP A 94 -9.695 -8.036 -7.357 1.00 0.00 N ATOM 1430 CA ASP A 94 -10.098 -9.436 -7.549 1.00 0.00 C ATOM 1431 C ASP A 94 -9.767 -9.932 -8.967 1.00 0.00 C ATOM 1432 O ASP A 94 -9.422 -11.097 -9.159 1.00 0.00 O ATOM 1433 CB ASP A 94 -11.609 -9.585 -7.283 1.00 0.00 C ATOM 1434 CG ASP A 94 -11.950 -10.973 -6.725 1.00 0.00 C ATOM 1435 OD1 ASP A 94 -12.196 -11.914 -7.516 1.00 0.00 O ATOM 1436 OD2 ASP A 94 -11.997 -11.111 -5.478 1.00 0.00 O ATOM 0 H ASP A 94 -10.488 -7.409 -7.220 1.00 0.00 H new ATOM 0 HA ASP A 94 -9.537 -10.046 -6.842 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -11.932 -8.819 -6.578 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -12.160 -9.419 -8.209 1.00 0.00 H new ATOM 1441 N TRP A 95 -9.819 -9.032 -9.957 1.00 0.00 N ATOM 1442 CA TRP A 95 -9.276 -9.246 -11.297 1.00 0.00 C ATOM 1443 C TRP A 95 -7.745 -9.366 -11.219 1.00 0.00 C ATOM 1444 O TRP A 95 -7.192 -10.414 -11.561 1.00 0.00 O ATOM 1445 CB TRP A 95 -9.773 -8.107 -12.225 1.00 0.00 C ATOM 1446 CG TRP A 95 -8.892 -7.631 -13.349 1.00 0.00 C ATOM 1447 CD1 TRP A 95 -8.708 -6.332 -13.684 1.00 0.00 C ATOM 1448 CD2 TRP A 95 -8.089 -8.392 -14.306 1.00 0.00 C ATOM 1449 NE1 TRP A 95 -7.853 -6.238 -14.765 1.00 0.00 N ATOM 1450 CE2 TRP A 95 -7.443 -7.481 -15.195 1.00 0.00 C ATOM 1451 CE3 TRP A 95 -7.832 -9.762 -14.509 1.00 0.00 C ATOM 1452 CZ2 TRP A 95 -6.600 -7.910 -16.233 1.00 0.00 C ATOM 1453 CZ3 TRP A 95 -7.003 -10.209 -15.553 1.00 0.00 C ATOM 1454 CH2 TRP A 95 -6.382 -9.287 -16.413 1.00 0.00 C ATOM 0 H TRP A 95 -10.250 -8.115 -9.842 1.00 0.00 H new ATOM 0 HA TRP A 95 -9.630 -10.183 -11.728 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -10.717 -8.431 -12.664 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -9.994 -7.245 -11.595 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -9.163 -5.492 -13.180 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -7.562 -5.358 -15.191 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -8.283 -10.486 -13.847 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -6.125 -7.191 -16.885 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -6.842 -11.268 -15.695 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -5.740 -9.635 -17.209 1.00 0.00 H new ATOM 1465 N VAL A 96 -7.048 -8.328 -10.744 1.00 0.00 N ATOM 1466 CA VAL A 96 -5.606 -8.184 -11.016 1.00 0.00 C ATOM 1467 C VAL A 96 -4.720 -9.243 -10.338 1.00 0.00 C ATOM 1468 O VAL A 96 -3.714 -9.655 -10.920 1.00 0.00 O ATOM 1469 CB VAL A 96 -5.102 -6.764 -10.688 1.00 0.00 C ATOM 1470 CG1 VAL A 96 -6.005 -5.680 -11.267 1.00 0.00 C ATOM 1471 CG2 VAL A 96 -4.973 -6.503 -9.196 1.00 0.00 C ATOM 0 H VAL A 96 -7.449 -7.582 -10.176 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.510 -8.356 -12.088 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.115 -6.719 -11.148 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -5.607 -4.699 -11.008 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -6.045 -5.781 -12.352 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -7.009 -5.785 -10.855 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.614 -5.487 -9.034 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.946 -6.624 -8.720 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -4.266 -7.211 -8.763 1.00 0.00 H new ATOM 1481 N LEU A 97 -5.085 -9.718 -9.142 1.00 0.00 N ATOM 1482 CA LEU A 97 -4.393 -10.796 -8.431 1.00 0.00 C ATOM 1483 C LEU A 97 -4.661 -12.173 -9.057 1.00 0.00 C ATOM 1484 O LEU A 97 -3.750 -12.996 -9.171 1.00 0.00 O ATOM 1485 CB LEU A 97 -4.899 -10.818 -6.975 1.00 0.00 C ATOM 1486 CG LEU A 97 -4.242 -9.817 -6.003 1.00 0.00 C ATOM 1487 CD1 LEU A 97 -4.235 -8.375 -6.451 1.00 0.00 C ATOM 1488 CD2 LEU A 97 -5.022 -9.890 -4.691 1.00 0.00 C ATOM 0 H LEU A 97 -5.889 -9.354 -8.630 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.322 -10.604 -8.488 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.973 -10.630 -6.984 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.755 -11.823 -6.579 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.194 -10.107 -5.926 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.750 -7.761 -5.693 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -3.690 -8.289 -7.391 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -5.260 -8.033 -6.593 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -4.589 -9.195 -3.971 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -6.063 -9.624 -4.872 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.970 -10.903 -4.293 1.00 0.00 H new