USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 588 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 27 CYS SG : rot 110:sc= -3.6! USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc=-0.00122 X(o=-0.0012,f=-0.0031) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.306 K(o=-0.31,f=-2.9!) USER MOD Single : A 46 MET CE :methyl 164:sc= -0.974 (180deg=-1.12) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 66 SER OG : rot -150:sc= 0.00486 USER MOD Single : A 67 GLN : amide:sc= -8.28! C(o=-8.3!,f=-6.4!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.0573) USER MOD Single : A 76 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00949) USER MOD Single : A 77 HIS : no HD1:sc= -2.3 X(o=-2.3,f=-2.1) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 HIS : no HD1:sc= -2.13! C(o=-2.1!,f=-2.6!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot -149:sc= 0.246 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 167 N GLY A 16 -0.876 9.300 0.846 1.00 0.00 N ATOM 168 CA GLY A 16 -0.955 7.958 0.298 1.00 0.00 C ATOM 169 C GLY A 16 0.104 7.037 0.870 1.00 0.00 C ATOM 170 O GLY A 16 0.405 5.992 0.292 1.00 0.00 O ATOM 0 HA2 GLY A 16 -1.942 7.543 0.502 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -0.846 8.004 -0.786 1.00 0.00 H new ATOM 174 N PHE A 17 0.670 7.423 2.009 1.00 0.00 N ATOM 175 CA PHE A 17 1.703 6.624 2.657 1.00 0.00 C ATOM 176 C PHE A 17 1.085 5.481 3.457 1.00 0.00 C ATOM 177 O PHE A 17 0.080 5.662 4.145 1.00 0.00 O ATOM 178 CB PHE A 17 2.555 7.503 3.577 1.00 0.00 C ATOM 179 CG PHE A 17 3.940 7.753 3.053 1.00 0.00 C ATOM 180 CD1 PHE A 17 4.957 6.841 3.281 1.00 0.00 C ATOM 181 CD2 PHE A 17 4.225 8.902 2.332 1.00 0.00 C ATOM 182 CE1 PHE A 17 6.232 7.068 2.800 1.00 0.00 C ATOM 183 CE2 PHE A 17 5.498 9.134 1.848 1.00 0.00 C ATOM 184 CZ PHE A 17 6.504 8.217 2.083 1.00 0.00 C ATOM 0 H PHE A 17 0.431 8.283 2.502 1.00 0.00 H new ATOM 0 HA PHE A 17 2.339 6.198 1.881 1.00 0.00 H new ATOM 0 HB2 PHE A 17 2.052 8.459 3.721 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.626 7.029 4.556 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.751 5.941 3.842 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.443 9.624 2.147 1.00 0.00 H new ATOM 0 HE1 PHE A 17 7.015 6.348 2.984 1.00 0.00 H new ATOM 0 HE2 PHE A 17 5.707 10.032 1.286 1.00 0.00 H new ATOM 0 HZ PHE A 17 7.500 8.398 1.707 1.00 0.00 H new ATOM 194 N VAL A 18 1.692 4.302 3.360 1.00 0.00 N ATOM 195 CA VAL A 18 1.203 3.129 4.073 1.00 0.00 C ATOM 196 C VAL A 18 2.320 2.464 4.870 1.00 0.00 C ATOM 197 O VAL A 18 3.457 2.374 4.406 1.00 0.00 O ATOM 198 CB VAL A 18 0.594 2.097 3.106 1.00 0.00 C ATOM 199 CG1 VAL A 18 -0.564 2.709 2.331 1.00 0.00 C ATOM 200 CG2 VAL A 18 1.657 1.564 2.158 1.00 0.00 C ATOM 0 H VAL A 18 2.524 4.135 2.794 1.00 0.00 H new ATOM 0 HA VAL A 18 0.429 3.476 4.757 1.00 0.00 H new ATOM 0 HB VAL A 18 0.208 1.262 3.690 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.982 1.965 1.653 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.335 3.038 3.028 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.206 3.563 1.756 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.209 0.836 1.482 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.075 2.388 1.579 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.450 1.086 2.733 1.00 0.00 H new ATOM 210 N ARG A 19 1.989 2.001 6.070 1.00 0.00 N ATOM 211 CA ARG A 19 2.964 1.346 6.932 1.00 0.00 C ATOM 212 C ARG A 19 2.727 -0.161 6.974 1.00 0.00 C ATOM 213 O ARG A 19 1.588 -0.619 7.070 1.00 0.00 O ATOM 214 CB ARG A 19 2.895 1.922 8.348 1.00 0.00 C ATOM 215 CG ARG A 19 3.838 1.244 9.329 1.00 0.00 C ATOM 216 CD ARG A 19 3.915 2.004 10.643 1.00 0.00 C ATOM 217 NE ARG A 19 2.825 1.645 11.548 1.00 0.00 N ATOM 218 CZ ARG A 19 2.793 1.987 12.831 1.00 0.00 C ATOM 219 NH1 ARG A 19 3.784 2.693 13.357 1.00 0.00 N ATOM 220 NH2 ARG A 19 1.767 1.624 13.589 1.00 0.00 N ATOM 0 H ARG A 19 1.052 2.067 6.468 1.00 0.00 H new ATOM 0 HA ARG A 19 3.956 1.530 6.520 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.128 2.986 8.310 1.00 0.00 H new ATOM 0 HB3 ARG A 19 1.874 1.832 8.718 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.499 0.225 9.516 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.833 1.173 8.889 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.870 1.797 11.126 1.00 0.00 H new ATOM 0 HD3 ARG A 19 3.883 3.075 10.445 1.00 0.00 H new ATOM 0 HE ARG A 19 2.047 1.102 11.174 1.00 0.00 H new ATOM 0 HH11 ARG A 19 4.574 2.975 12.776 1.00 0.00 H new ATOM 0 HH12 ARG A 19 3.757 2.954 14.343 1.00 0.00 H new ATOM 0 HH21 ARG A 19 1.002 1.082 13.187 1.00 0.00 H new ATOM 0 HH22 ARG A 19 1.743 1.887 14.574 1.00 0.00 H new ATOM 234 N LEU A 20 3.810 -0.928 6.900 1.00 0.00 N ATOM 235 CA LEU A 20 3.720 -2.383 6.929 1.00 0.00 C ATOM 236 C LEU A 20 4.313 -2.940 8.219 1.00 0.00 C ATOM 237 O LEU A 20 5.240 -2.363 8.787 1.00 0.00 O ATOM 238 CB LEU A 20 4.445 -2.982 5.722 1.00 0.00 C ATOM 239 CG LEU A 20 4.234 -2.264 4.388 1.00 0.00 C ATOM 240 CD1 LEU A 20 4.894 -3.035 3.255 1.00 0.00 C ATOM 241 CD2 LEU A 20 2.750 -2.074 4.112 1.00 0.00 C ATOM 0 H LEU A 20 4.760 -0.566 6.820 1.00 0.00 H new ATOM 0 HA LEU A 20 2.666 -2.658 6.887 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.513 -3.000 5.937 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.125 -4.018 5.609 1.00 0.00 H new ATOM 0 HG LEU A 20 4.700 -1.281 4.451 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.733 -2.508 2.314 1.00 0.00 H new ATOM 0 HD12 LEU A 20 5.964 -3.118 3.446 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.459 -4.032 3.192 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.620 -1.562 3.159 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.260 -3.047 4.071 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.305 -1.477 4.908 1.00 0.00 H new ATOM 253 N ARG A 21 3.773 -4.065 8.674 1.00 0.00 N ATOM 254 CA ARG A 21 4.249 -4.701 9.897 1.00 0.00 C ATOM 255 C ARG A 21 4.208 -6.221 9.772 1.00 0.00 C ATOM 256 O ARG A 21 3.163 -6.803 9.483 1.00 0.00 O ATOM 257 CB ARG A 21 3.404 -4.254 11.092 1.00 0.00 C ATOM 258 CG ARG A 21 4.130 -3.309 12.034 1.00 0.00 C ATOM 259 CD ARG A 21 3.405 -3.179 13.363 1.00 0.00 C ATOM 260 NE ARG A 21 4.283 -3.460 14.496 1.00 0.00 N ATOM 261 CZ ARG A 21 3.891 -3.391 15.764 1.00 0.00 C ATOM 262 NH1 ARG A 21 2.644 -3.051 16.058 1.00 0.00 N ATOM 263 NH2 ARG A 21 4.748 -3.661 16.740 1.00 0.00 N ATOM 0 H ARG A 21 3.006 -4.555 8.215 1.00 0.00 H new ATOM 0 HA ARG A 21 5.283 -4.395 10.056 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.502 -3.765 10.725 1.00 0.00 H new ATOM 0 HB3 ARG A 21 3.085 -5.134 11.650 1.00 0.00 H new ATOM 0 HG2 ARG A 21 5.143 -3.672 12.205 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.218 -2.327 11.569 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.001 -2.171 13.459 1.00 0.00 H new ATOM 0 HD3 ARG A 21 2.558 -3.865 13.382 1.00 0.00 H new ATOM 0 HE ARG A 21 5.249 -3.723 14.304 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.983 -2.842 15.310 1.00 0.00 H new ATOM 0 HH12 ARG A 21 2.346 -2.999 17.032 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.709 -3.922 16.518 1.00 0.00 H new ATOM 0 HH22 ARG A 21 4.446 -3.608 17.713 1.00 0.00 H new ATOM 277 N GLY A 22 5.353 -6.859 9.991 1.00 0.00 N ATOM 278 CA GLY A 22 5.427 -8.305 9.896 1.00 0.00 C ATOM 279 C GLY A 22 6.020 -8.771 8.581 1.00 0.00 C ATOM 280 O GLY A 22 5.598 -9.787 8.027 1.00 0.00 O ATOM 0 H GLY A 22 6.231 -6.400 10.233 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.029 -8.690 10.719 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.428 -8.725 10.009 1.00 0.00 H new ATOM 284 N LEU A 23 7.000 -8.028 8.079 1.00 0.00 N ATOM 285 CA LEU A 23 7.650 -8.369 6.820 1.00 0.00 C ATOM 286 C LEU A 23 8.503 -9.625 6.970 1.00 0.00 C ATOM 287 O LEU A 23 9.096 -9.880 8.018 1.00 0.00 O ATOM 288 CB LEU A 23 8.518 -7.205 6.339 1.00 0.00 C ATOM 289 CG LEU A 23 7.793 -5.877 6.110 1.00 0.00 C ATOM 290 CD1 LEU A 23 8.789 -4.776 5.780 1.00 0.00 C ATOM 291 CD2 LEU A 23 6.762 -6.016 5.001 1.00 0.00 C ATOM 0 H LEU A 23 7.362 -7.185 8.525 1.00 0.00 H new ATOM 0 HA LEU A 23 6.873 -8.565 6.081 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.310 -7.042 7.070 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.000 -7.498 5.406 1.00 0.00 H new ATOM 0 HG LEU A 23 7.273 -5.606 7.029 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.256 -3.839 5.620 1.00 0.00 H new ATOM 0 HD12 LEU A 23 9.489 -4.659 6.607 1.00 0.00 H new ATOM 0 HD13 LEU A 23 9.337 -5.040 4.876 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.257 -5.062 4.852 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.259 -6.311 4.077 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.030 -6.775 5.278 1.00 0.00 H new ATOM 303 N PRO A 24 8.568 -10.428 5.897 1.00 0.00 N ATOM 304 CA PRO A 24 9.348 -11.669 5.884 1.00 0.00 C ATOM 305 C PRO A 24 10.850 -11.410 5.904 1.00 0.00 C ATOM 306 O PRO A 24 11.294 -10.266 5.812 1.00 0.00 O ATOM 307 CB PRO A 24 8.937 -12.332 4.567 1.00 0.00 C ATOM 308 CG PRO A 24 8.501 -11.206 3.696 1.00 0.00 C ATOM 309 CD PRO A 24 7.887 -10.185 4.614 1.00 0.00 C ATOM 0 HA PRO A 24 9.154 -12.282 6.764 1.00 0.00 H new ATOM 0 HB2 PRO A 24 9.769 -12.878 4.122 1.00 0.00 H new ATOM 0 HB3 PRO A 24 8.131 -13.049 4.720 1.00 0.00 H new ATOM 0 HG2 PRO A 24 9.346 -10.784 3.152 1.00 0.00 H new ATOM 0 HG3 PRO A 24 7.780 -11.545 2.952 1.00 0.00 H new ATOM 0 HD2 PRO A 24 8.055 -9.169 4.256 1.00 0.00 H new ATOM 0 HD3 PRO A 24 6.809 -10.318 4.700 1.00 0.00 H new ATOM 317 N PHE A 25 11.629 -12.481 6.026 1.00 0.00 N ATOM 318 CA PHE A 25 13.082 -12.368 6.058 1.00 0.00 C ATOM 319 C PHE A 25 13.626 -11.943 4.698 1.00 0.00 C ATOM 320 O PHE A 25 13.453 -12.642 3.700 1.00 0.00 O ATOM 321 CB PHE A 25 13.708 -13.700 6.476 1.00 0.00 C ATOM 322 CG PHE A 25 14.554 -13.604 7.713 1.00 0.00 C ATOM 323 CD1 PHE A 25 15.638 -12.743 7.762 1.00 0.00 C ATOM 324 CD2 PHE A 25 14.264 -14.374 8.827 1.00 0.00 C ATOM 325 CE1 PHE A 25 16.419 -12.653 8.899 1.00 0.00 C ATOM 326 CE2 PHE A 25 15.040 -14.288 9.969 1.00 0.00 C ATOM 327 CZ PHE A 25 16.118 -13.426 10.004 1.00 0.00 C ATOM 0 H PHE A 25 11.278 -13.436 6.104 1.00 0.00 H new ATOM 0 HA PHE A 25 13.346 -11.604 6.789 1.00 0.00 H new ATOM 0 HB2 PHE A 25 12.914 -14.428 6.644 1.00 0.00 H new ATOM 0 HB3 PHE A 25 14.319 -14.078 5.656 1.00 0.00 H new ATOM 0 HD1 PHE A 25 15.876 -12.135 6.902 1.00 0.00 H new ATOM 0 HD2 PHE A 25 13.422 -15.050 8.804 1.00 0.00 H new ATOM 0 HE1 PHE A 25 17.263 -11.980 8.924 1.00 0.00 H new ATOM 0 HE2 PHE A 25 14.803 -14.894 10.831 1.00 0.00 H new ATOM 0 HZ PHE A 25 16.725 -13.356 10.894 1.00 0.00 H new ATOM 337 N GLY A 26 14.285 -10.788 4.665 1.00 0.00 N ATOM 338 CA GLY A 26 14.843 -10.287 3.422 1.00 0.00 C ATOM 339 C GLY A 26 13.829 -9.516 2.601 1.00 0.00 C ATOM 340 O GLY A 26 13.997 -9.352 1.391 1.00 0.00 O ATOM 0 H GLY A 26 14.442 -10.191 5.477 1.00 0.00 H new ATOM 0 HA2 GLY A 26 15.693 -9.642 3.643 1.00 0.00 H new ATOM 0 HA3 GLY A 26 15.222 -11.123 2.834 1.00 0.00 H new ATOM 344 N CYS A 27 12.776 -9.043 3.256 1.00 0.00 N ATOM 345 CA CYS A 27 11.729 -8.287 2.578 1.00 0.00 C ATOM 346 C CYS A 27 12.272 -6.964 2.045 1.00 0.00 C ATOM 347 O CYS A 27 12.819 -6.158 2.798 1.00 0.00 O ATOM 348 CB CYS A 27 10.560 -8.026 3.529 1.00 0.00 C ATOM 349 SG CYS A 27 9.236 -7.024 2.815 1.00 0.00 S ATOM 0 H CYS A 27 12.624 -9.169 4.257 1.00 0.00 H new ATOM 0 HA CYS A 27 11.375 -8.881 1.735 1.00 0.00 H new ATOM 0 HB2 CYS A 27 10.145 -8.982 3.848 1.00 0.00 H new ATOM 0 HB3 CYS A 27 10.937 -7.528 4.422 1.00 0.00 H new ATOM 0 HG CYS A 27 8.185 -7.765 2.625 1.00 0.00 H new ATOM 355 N SER A 28 12.117 -6.749 0.743 1.00 0.00 N ATOM 356 CA SER A 28 12.597 -5.527 0.109 1.00 0.00 C ATOM 357 C SER A 28 11.608 -5.038 -0.946 1.00 0.00 C ATOM 358 O SER A 28 10.638 -5.722 -1.269 1.00 0.00 O ATOM 359 CB SER A 28 13.966 -5.762 -0.532 1.00 0.00 C ATOM 360 OG SER A 28 14.957 -5.995 0.456 1.00 0.00 O ATOM 0 H SER A 28 11.663 -7.405 0.107 1.00 0.00 H new ATOM 0 HA SER A 28 12.691 -4.761 0.879 1.00 0.00 H new ATOM 0 HB2 SER A 28 13.913 -6.616 -1.208 1.00 0.00 H new ATOM 0 HB3 SER A 28 14.243 -4.896 -1.133 1.00 0.00 H new ATOM 0 HG SER A 28 15.823 -6.144 0.022 1.00 0.00 H new ATOM 366 N LYS A 29 11.862 -3.848 -1.479 1.00 0.00 N ATOM 367 CA LYS A 29 10.997 -3.265 -2.498 1.00 0.00 C ATOM 368 C LYS A 29 10.652 -4.292 -3.571 1.00 0.00 C ATOM 369 O LYS A 29 9.484 -4.489 -3.901 1.00 0.00 O ATOM 370 CB LYS A 29 11.674 -2.051 -3.137 1.00 0.00 C ATOM 371 CG LYS A 29 11.599 -0.794 -2.287 1.00 0.00 C ATOM 372 CD LYS A 29 12.752 0.150 -2.585 1.00 0.00 C ATOM 373 CE LYS A 29 14.007 -0.243 -1.821 1.00 0.00 C ATOM 374 NZ LYS A 29 15.228 0.381 -2.401 1.00 0.00 N ATOM 0 H LYS A 29 12.661 -3.268 -1.222 1.00 0.00 H new ATOM 0 HA LYS A 29 10.073 -2.946 -2.016 1.00 0.00 H new ATOM 0 HB2 LYS A 29 12.721 -2.288 -3.328 1.00 0.00 H new ATOM 0 HB3 LYS A 29 11.210 -1.854 -4.104 1.00 0.00 H new ATOM 0 HG2 LYS A 29 10.653 -0.285 -2.472 1.00 0.00 H new ATOM 0 HG3 LYS A 29 11.614 -1.066 -1.232 1.00 0.00 H new ATOM 0 HD2 LYS A 29 12.960 0.145 -3.655 1.00 0.00 H new ATOM 0 HD3 LYS A 29 12.468 1.168 -2.320 1.00 0.00 H new ATOM 0 HE2 LYS A 29 13.906 0.057 -0.778 1.00 0.00 H new ATOM 0 HE3 LYS A 29 14.114 -1.328 -1.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 16.062 0.088 -1.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 15.339 0.075 -3.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 15.138 1.417 -2.368 1.00 0.00 H new ATOM 388 N GLU A 30 11.677 -4.944 -4.111 1.00 0.00 N ATOM 389 CA GLU A 30 11.480 -5.952 -5.147 1.00 0.00 C ATOM 390 C GLU A 30 10.271 -6.827 -4.832 1.00 0.00 C ATOM 391 O GLU A 30 9.524 -7.217 -5.729 1.00 0.00 O ATOM 392 CB GLU A 30 12.731 -6.822 -5.287 1.00 0.00 C ATOM 393 CG GLU A 30 13.913 -6.095 -5.905 1.00 0.00 C ATOM 394 CD GLU A 30 15.109 -6.027 -4.974 1.00 0.00 C ATOM 395 OE1 GLU A 30 14.899 -5.923 -3.747 1.00 0.00 O ATOM 396 OE2 GLU A 30 16.253 -6.077 -5.472 1.00 0.00 O ATOM 0 H GLU A 30 12.651 -4.793 -3.849 1.00 0.00 H new ATOM 0 HA GLU A 30 11.297 -5.436 -6.090 1.00 0.00 H new ATOM 0 HB2 GLU A 30 13.018 -7.192 -4.303 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.491 -7.692 -5.898 1.00 0.00 H new ATOM 0 HG2 GLU A 30 14.203 -6.599 -6.827 1.00 0.00 H new ATOM 0 HG3 GLU A 30 13.611 -5.084 -6.177 1.00 0.00 H new ATOM 403 N GLU A 31 10.085 -7.131 -3.552 1.00 0.00 N ATOM 404 CA GLU A 31 8.967 -7.961 -3.119 1.00 0.00 C ATOM 405 C GLU A 31 7.708 -7.121 -2.926 1.00 0.00 C ATOM 406 O GLU A 31 6.592 -7.602 -3.122 1.00 0.00 O ATOM 407 CB GLU A 31 9.315 -8.686 -1.816 1.00 0.00 C ATOM 408 CG GLU A 31 10.175 -9.922 -2.018 1.00 0.00 C ATOM 409 CD GLU A 31 10.326 -10.742 -0.751 1.00 0.00 C ATOM 410 OE1 GLU A 31 9.388 -11.497 -0.420 1.00 0.00 O ATOM 411 OE2 GLU A 31 11.380 -10.628 -0.092 1.00 0.00 O ATOM 0 H GLU A 31 10.694 -6.815 -2.797 1.00 0.00 H new ATOM 0 HA GLU A 31 8.774 -8.700 -3.897 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.837 -7.995 -1.154 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.392 -8.974 -1.313 1.00 0.00 H new ATOM 0 HG2 GLU A 31 9.734 -10.543 -2.798 1.00 0.00 H new ATOM 0 HG3 GLU A 31 11.161 -9.620 -2.370 1.00 0.00 H new ATOM 418 N ILE A 32 7.897 -5.865 -2.539 1.00 0.00 N ATOM 419 CA ILE A 32 6.778 -4.957 -2.319 1.00 0.00 C ATOM 420 C ILE A 32 6.149 -4.530 -3.641 1.00 0.00 C ATOM 421 O ILE A 32 4.969 -4.780 -3.890 1.00 0.00 O ATOM 422 CB ILE A 32 7.215 -3.701 -1.542 1.00 0.00 C ATOM 423 CG1 ILE A 32 7.763 -4.090 -0.168 1.00 0.00 C ATOM 424 CG2 ILE A 32 6.049 -2.735 -1.399 1.00 0.00 C ATOM 425 CD1 ILE A 32 8.373 -2.932 0.589 1.00 0.00 C ATOM 0 H ILE A 32 8.815 -5.452 -2.371 1.00 0.00 H new ATOM 0 HA ILE A 32 6.042 -5.501 -1.728 1.00 0.00 H new ATOM 0 HB ILE A 32 8.008 -3.203 -2.101 1.00 0.00 H new ATOM 0 HG12 ILE A 32 6.957 -4.519 0.428 1.00 0.00 H new ATOM 0 HG13 ILE A 32 8.516 -4.869 -0.293 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.373 -1.852 -0.848 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.700 -2.437 -2.388 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.237 -3.222 -0.859 1.00 0.00 H new ATOM 0 HD11 ILE A 32 8.741 -3.281 1.554 1.00 0.00 H new ATOM 0 HD12 ILE A 32 9.201 -2.517 0.014 1.00 0.00 H new ATOM 0 HD13 ILE A 32 7.618 -2.162 0.746 1.00 0.00 H new ATOM 437 N VAL A 33 6.945 -3.884 -4.488 1.00 0.00 N ATOM 438 CA VAL A 33 6.469 -3.424 -5.787 1.00 0.00 C ATOM 439 C VAL A 33 5.496 -4.425 -6.401 1.00 0.00 C ATOM 440 O VAL A 33 4.447 -4.046 -6.923 1.00 0.00 O ATOM 441 CB VAL A 33 7.636 -3.194 -6.765 1.00 0.00 C ATOM 442 CG1 VAL A 33 7.115 -2.773 -8.129 1.00 0.00 C ATOM 443 CG2 VAL A 33 8.599 -2.156 -6.208 1.00 0.00 C ATOM 0 H VAL A 33 7.923 -3.667 -4.297 1.00 0.00 H new ATOM 0 HA VAL A 33 5.955 -2.478 -5.618 1.00 0.00 H new ATOM 0 HB VAL A 33 8.178 -4.132 -6.885 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.954 -2.615 -8.806 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.468 -3.554 -8.528 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.548 -1.847 -8.032 1.00 0.00 H new ATOM 0 HG21 VAL A 33 9.418 -2.005 -6.911 1.00 0.00 H new ATOM 0 HG22 VAL A 33 8.072 -1.214 -6.058 1.00 0.00 H new ATOM 0 HG23 VAL A 33 8.998 -2.504 -5.255 1.00 0.00 H new ATOM 453 N GLN A 34 5.849 -5.705 -6.332 1.00 0.00 N ATOM 454 CA GLN A 34 5.007 -6.760 -6.882 1.00 0.00 C ATOM 455 C GLN A 34 3.836 -7.060 -5.955 1.00 0.00 C ATOM 456 O GLN A 34 2.706 -7.250 -6.406 1.00 0.00 O ATOM 457 CB GLN A 34 5.829 -8.030 -7.112 1.00 0.00 C ATOM 458 CG GLN A 34 6.257 -8.224 -8.558 1.00 0.00 C ATOM 459 CD GLN A 34 6.871 -9.587 -8.807 1.00 0.00 C ATOM 460 OE1 GLN A 34 6.245 -10.617 -8.558 1.00 0.00 O ATOM 461 NE2 GLN A 34 8.104 -9.600 -9.301 1.00 0.00 N ATOM 0 H GLN A 34 6.712 -6.036 -5.901 1.00 0.00 H new ATOM 0 HA GLN A 34 4.611 -6.414 -7.837 1.00 0.00 H new ATOM 0 HB2 GLN A 34 6.717 -7.998 -6.480 1.00 0.00 H new ATOM 0 HB3 GLN A 34 5.244 -8.894 -6.796 1.00 0.00 H new ATOM 0 HG2 GLN A 34 5.393 -8.095 -9.209 1.00 0.00 H new ATOM 0 HG3 GLN A 34 6.977 -7.451 -8.827 1.00 0.00 H new ATOM 0 HE21 GLN A 34 8.586 -8.722 -9.493 1.00 0.00 H new ATOM 0 HE22 GLN A 34 8.569 -10.488 -9.489 1.00 0.00 H new ATOM 470 N PHE A 35 4.112 -7.101 -4.655 1.00 0.00 N ATOM 471 CA PHE A 35 3.080 -7.379 -3.662 1.00 0.00 C ATOM 472 C PHE A 35 1.885 -6.448 -3.844 1.00 0.00 C ATOM 473 O PHE A 35 0.761 -6.781 -3.467 1.00 0.00 O ATOM 474 CB PHE A 35 3.648 -7.229 -2.249 1.00 0.00 C ATOM 475 CG PHE A 35 2.592 -7.170 -1.183 1.00 0.00 C ATOM 476 CD1 PHE A 35 1.921 -8.316 -0.789 1.00 0.00 C ATOM 477 CD2 PHE A 35 2.271 -5.967 -0.574 1.00 0.00 C ATOM 478 CE1 PHE A 35 0.949 -8.265 0.193 1.00 0.00 C ATOM 479 CE2 PHE A 35 1.300 -5.909 0.409 1.00 0.00 C ATOM 480 CZ PHE A 35 0.638 -7.060 0.792 1.00 0.00 C ATOM 0 H PHE A 35 5.041 -6.945 -4.265 1.00 0.00 H new ATOM 0 HA PHE A 35 2.743 -8.406 -3.803 1.00 0.00 H new ATOM 0 HB2 PHE A 35 4.315 -8.066 -2.043 1.00 0.00 H new ATOM 0 HB3 PHE A 35 4.251 -6.322 -2.203 1.00 0.00 H new ATOM 0 HD1 PHE A 35 2.160 -9.261 -1.254 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.785 -5.065 -0.871 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.434 -9.166 0.491 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.059 -4.966 0.877 1.00 0.00 H new ATOM 0 HZ PHE A 35 -0.121 -7.017 1.559 1.00 0.00 H new ATOM 490 N PHE A 36 2.136 -5.279 -4.424 1.00 0.00 N ATOM 491 CA PHE A 36 1.082 -4.298 -4.655 1.00 0.00 C ATOM 492 C PHE A 36 0.706 -4.241 -6.133 1.00 0.00 C ATOM 493 O PHE A 36 0.389 -3.176 -6.663 1.00 0.00 O ATOM 494 CB PHE A 36 1.531 -2.915 -4.179 1.00 0.00 C ATOM 495 CG PHE A 36 1.504 -2.757 -2.685 1.00 0.00 C ATOM 496 CD1 PHE A 36 0.363 -3.069 -1.963 1.00 0.00 C ATOM 497 CD2 PHE A 36 2.619 -2.299 -2.003 1.00 0.00 C ATOM 498 CE1 PHE A 36 0.334 -2.924 -0.589 1.00 0.00 C ATOM 499 CE2 PHE A 36 2.597 -2.153 -0.628 1.00 0.00 C ATOM 500 CZ PHE A 36 1.454 -2.467 0.080 1.00 0.00 C ATOM 0 H PHE A 36 3.060 -4.988 -4.743 1.00 0.00 H new ATOM 0 HA PHE A 36 0.204 -4.604 -4.086 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.543 -2.727 -4.538 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.888 -2.158 -4.628 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.514 -3.430 -2.480 1.00 0.00 H new ATOM 0 HD2 PHE A 36 3.516 -2.053 -2.551 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.563 -3.167 -0.039 1.00 0.00 H new ATOM 0 HE2 PHE A 36 3.473 -1.794 -0.108 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.435 -2.356 1.154 1.00 0.00 H new ATOM 510 N SER A 37 0.744 -5.395 -6.791 1.00 0.00 N ATOM 511 CA SER A 37 0.412 -5.477 -8.208 1.00 0.00 C ATOM 512 C SER A 37 -0.902 -4.760 -8.501 1.00 0.00 C ATOM 513 O SER A 37 -1.797 -4.711 -7.659 1.00 0.00 O ATOM 514 CB SER A 37 0.315 -6.940 -8.647 1.00 0.00 C ATOM 515 OG SER A 37 0.983 -7.148 -9.879 1.00 0.00 O ATOM 0 H SER A 37 1.001 -6.286 -6.366 1.00 0.00 H new ATOM 0 HA SER A 37 1.207 -4.987 -8.770 1.00 0.00 H new ATOM 0 HB2 SER A 37 0.750 -7.582 -7.881 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.733 -7.225 -8.745 1.00 0.00 H new ATOM 0 HG SER A 37 0.908 -8.091 -10.137 1.00 0.00 H new ATOM 521 N GLY A 38 -1.010 -4.201 -9.703 1.00 0.00 N ATOM 522 CA GLY A 38 -2.217 -3.492 -10.087 1.00 0.00 C ATOM 523 C GLY A 38 -2.221 -2.054 -9.610 1.00 0.00 C ATOM 524 O GLY A 38 -2.890 -1.200 -10.193 1.00 0.00 O ATOM 0 H GLY A 38 -0.283 -4.227 -10.418 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.317 -3.512 -11.172 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.085 -4.010 -9.678 1.00 0.00 H new ATOM 528 N LEU A 39 -1.473 -1.784 -8.545 1.00 0.00 N ATOM 529 CA LEU A 39 -1.394 -0.437 -7.988 1.00 0.00 C ATOM 530 C LEU A 39 -0.179 0.307 -8.532 1.00 0.00 C ATOM 531 O LEU A 39 0.822 -0.306 -8.900 1.00 0.00 O ATOM 532 CB LEU A 39 -1.326 -0.499 -6.461 1.00 0.00 C ATOM 533 CG LEU A 39 -2.474 -1.234 -5.768 1.00 0.00 C ATOM 534 CD1 LEU A 39 -1.996 -1.869 -4.471 1.00 0.00 C ATOM 535 CD2 LEU A 39 -3.633 -0.283 -5.503 1.00 0.00 C ATOM 0 H LEU A 39 -0.913 -2.479 -8.050 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.292 0.105 -8.284 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.390 -0.980 -6.178 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.289 0.520 -6.077 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.824 -2.027 -6.429 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.827 -2.387 -3.992 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.199 -2.581 -4.687 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.619 -1.094 -3.804 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.441 -0.823 -5.009 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.296 0.531 -4.862 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.993 0.124 -6.448 1.00 0.00 H new ATOM 547 N GLU A 40 -0.273 1.632 -8.578 1.00 0.00 N ATOM 548 CA GLU A 40 0.819 2.459 -9.076 1.00 0.00 C ATOM 549 C GLU A 40 1.505 3.200 -7.932 1.00 0.00 C ATOM 550 O GLU A 40 0.867 3.948 -7.191 1.00 0.00 O ATOM 551 CB GLU A 40 0.300 3.461 -10.108 1.00 0.00 C ATOM 552 CG GLU A 40 1.234 4.638 -10.338 1.00 0.00 C ATOM 553 CD GLU A 40 0.831 5.479 -11.534 1.00 0.00 C ATOM 554 OE1 GLU A 40 -0.380 5.741 -11.692 1.00 0.00 O ATOM 555 OE2 GLU A 40 1.725 5.873 -12.311 1.00 0.00 O ATOM 0 H GLU A 40 -1.095 2.156 -8.276 1.00 0.00 H new ATOM 0 HA GLU A 40 1.549 1.804 -9.552 1.00 0.00 H new ATOM 0 HB2 GLU A 40 0.140 2.945 -11.055 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.670 3.836 -9.782 1.00 0.00 H new ATOM 0 HG2 GLU A 40 1.249 5.265 -9.446 1.00 0.00 H new ATOM 0 HG3 GLU A 40 2.249 4.268 -10.484 1.00 0.00 H new ATOM 562 N ILE A 41 2.809 2.987 -7.794 1.00 0.00 N ATOM 563 CA ILE A 41 3.583 3.634 -6.742 1.00 0.00 C ATOM 564 C ILE A 41 4.635 4.569 -7.328 1.00 0.00 C ATOM 565 O ILE A 41 5.088 4.382 -8.458 1.00 0.00 O ATOM 566 CB ILE A 41 4.279 2.601 -5.838 1.00 0.00 C ATOM 567 CG1 ILE A 41 3.294 1.502 -5.430 1.00 0.00 C ATOM 568 CG2 ILE A 41 4.861 3.280 -4.606 1.00 0.00 C ATOM 569 CD1 ILE A 41 3.965 0.203 -5.041 1.00 0.00 C ATOM 0 H ILE A 41 3.352 2.371 -8.398 1.00 0.00 H new ATOM 0 HA ILE A 41 2.879 4.212 -6.144 1.00 0.00 H new ATOM 0 HB ILE A 41 5.095 2.144 -6.397 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.693 1.856 -4.592 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.609 1.314 -6.257 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.350 2.536 -3.977 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.590 4.030 -4.914 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.061 3.761 -4.044 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.207 -0.529 -4.764 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.543 -0.175 -5.884 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.629 0.376 -4.194 1.00 0.00 H new ATOM 581 N VAL A 42 5.020 5.578 -6.553 1.00 0.00 N ATOM 582 CA VAL A 42 6.022 6.542 -6.994 1.00 0.00 C ATOM 583 C VAL A 42 7.428 5.964 -6.879 1.00 0.00 C ATOM 584 O VAL A 42 7.706 5.100 -6.048 1.00 0.00 O ATOM 585 CB VAL A 42 5.946 7.844 -6.176 1.00 0.00 C ATOM 586 CG1 VAL A 42 4.646 8.580 -6.464 1.00 0.00 C ATOM 587 CG2 VAL A 42 6.082 7.549 -4.690 1.00 0.00 C ATOM 0 H VAL A 42 4.653 5.749 -5.617 1.00 0.00 H new ATOM 0 HA VAL A 42 5.808 6.765 -8.039 1.00 0.00 H new ATOM 0 HB VAL A 42 6.774 8.487 -6.473 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.610 9.498 -5.877 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.594 8.825 -7.525 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.801 7.945 -6.197 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.026 8.481 -4.127 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.276 6.886 -4.375 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.042 7.068 -4.501 1.00 0.00 H new ATOM 597 N PRO A 43 8.340 6.453 -7.734 1.00 0.00 N ATOM 598 CA PRO A 43 9.735 6.000 -7.748 1.00 0.00 C ATOM 599 C PRO A 43 10.504 6.456 -6.512 1.00 0.00 C ATOM 600 O PRO A 43 10.522 7.641 -6.183 1.00 0.00 O ATOM 601 CB PRO A 43 10.307 6.656 -9.006 1.00 0.00 C ATOM 602 CG PRO A 43 9.456 7.858 -9.229 1.00 0.00 C ATOM 603 CD PRO A 43 8.080 7.484 -8.751 1.00 0.00 C ATOM 0 HA PRO A 43 9.812 4.913 -7.745 1.00 0.00 H new ATOM 0 HB2 PRO A 43 11.352 6.932 -8.868 1.00 0.00 H new ATOM 0 HB3 PRO A 43 10.266 5.979 -9.859 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.841 8.716 -8.678 1.00 0.00 H new ATOM 0 HG3 PRO A 43 9.441 8.136 -10.283 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.555 8.341 -8.329 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.463 7.100 -9.563 1.00 0.00 H new ATOM 611 N ASN A 44 11.138 5.506 -5.833 1.00 0.00 N ATOM 612 CA ASN A 44 11.910 5.811 -4.634 1.00 0.00 C ATOM 613 C ASN A 44 10.997 6.271 -3.501 1.00 0.00 C ATOM 614 O ASN A 44 11.427 6.978 -2.591 1.00 0.00 O ATOM 615 CB ASN A 44 12.954 6.890 -4.933 1.00 0.00 C ATOM 616 CG ASN A 44 14.348 6.317 -5.094 1.00 0.00 C ATOM 617 OD1 ASN A 44 14.559 5.113 -4.940 1.00 0.00 O ATOM 618 ND2 ASN A 44 15.309 7.179 -5.405 1.00 0.00 N ATOM 0 H ASN A 44 11.133 4.519 -6.092 1.00 0.00 H new ATOM 0 HA ASN A 44 12.419 4.900 -4.320 1.00 0.00 H new ATOM 0 HB2 ASN A 44 12.674 7.420 -5.844 1.00 0.00 H new ATOM 0 HB3 ASN A 44 12.956 7.623 -4.126 1.00 0.00 H new ATOM 0 HD21 ASN A 44 16.268 6.852 -5.526 1.00 0.00 H new ATOM 0 HD22 ASN A 44 15.089 8.168 -5.523 1.00 0.00 H new ATOM 625 N GLY A 45 9.733 5.863 -3.565 1.00 0.00 N ATOM 626 CA GLY A 45 8.779 6.242 -2.540 1.00 0.00 C ATOM 627 C GLY A 45 8.555 5.143 -1.520 1.00 0.00 C ATOM 628 O GLY A 45 7.443 4.962 -1.027 1.00 0.00 O ATOM 0 H GLY A 45 9.353 5.277 -4.308 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.134 7.138 -2.031 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.829 6.497 -3.009 1.00 0.00 H new ATOM 632 N MET A 46 9.615 4.406 -1.205 1.00 0.00 N ATOM 633 CA MET A 46 9.529 3.318 -0.238 1.00 0.00 C ATOM 634 C MET A 46 10.695 3.370 0.744 1.00 0.00 C ATOM 635 O MET A 46 11.848 3.546 0.348 1.00 0.00 O ATOM 636 CB MET A 46 9.513 1.968 -0.957 1.00 0.00 C ATOM 637 CG MET A 46 8.343 1.804 -1.914 1.00 0.00 C ATOM 638 SD MET A 46 8.796 2.132 -3.628 1.00 0.00 S ATOM 639 CE MET A 46 7.865 0.856 -4.474 1.00 0.00 C ATOM 0 H MET A 46 10.543 4.542 -1.605 1.00 0.00 H new ATOM 0 HA MET A 46 8.601 3.435 0.321 1.00 0.00 H new ATOM 0 HB2 MET A 46 10.444 1.849 -1.511 1.00 0.00 H new ATOM 0 HB3 MET A 46 9.480 1.170 -0.215 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.952 0.790 -1.833 1.00 0.00 H new ATOM 0 HG3 MET A 46 7.540 2.479 -1.619 1.00 0.00 H new ATOM 0 HE1 MET A 46 7.807 1.092 -5.537 1.00 0.00 H new ATOM 0 HE2 MET A 46 8.362 -0.105 -4.342 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.859 0.804 -4.059 1.00 0.00 H new ATOM 649 N THR A 47 10.388 3.216 2.029 1.00 0.00 N ATOM 650 CA THR A 47 11.410 3.247 3.067 1.00 0.00 C ATOM 651 C THR A 47 11.430 1.944 3.859 1.00 0.00 C ATOM 652 O THR A 47 10.383 1.443 4.274 1.00 0.00 O ATOM 653 CB THR A 47 11.188 4.421 4.039 1.00 0.00 C ATOM 654 OG1 THR A 47 11.502 5.659 3.391 1.00 0.00 O ATOM 655 CG2 THR A 47 12.047 4.263 5.284 1.00 0.00 C ATOM 0 H THR A 47 9.440 3.069 2.375 1.00 0.00 H new ATOM 0 HA THR A 47 12.368 3.378 2.563 1.00 0.00 H new ATOM 0 HB THR A 47 10.140 4.423 4.338 1.00 0.00 H new ATOM 0 HG1 THR A 47 11.357 6.401 4.015 1.00 0.00 H new ATOM 0 HG21 THR A 47 11.873 5.104 5.955 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.786 3.334 5.791 1.00 0.00 H new ATOM 0 HG23 THR A 47 13.099 4.238 4.999 1.00 0.00 H new ATOM 663 N LEU A 48 12.623 1.401 4.065 1.00 0.00 N ATOM 664 CA LEU A 48 12.780 0.155 4.809 1.00 0.00 C ATOM 665 C LEU A 48 13.889 0.276 5.847 1.00 0.00 C ATOM 666 O LEU A 48 15.067 0.063 5.560 1.00 0.00 O ATOM 667 CB LEU A 48 13.085 -0.998 3.851 1.00 0.00 C ATOM 668 CG LEU A 48 11.891 -1.858 3.433 1.00 0.00 C ATOM 669 CD1 LEU A 48 11.635 -1.728 1.940 1.00 0.00 C ATOM 670 CD2 LEU A 48 12.123 -3.313 3.811 1.00 0.00 C ATOM 0 H LEU A 48 13.498 1.803 3.728 1.00 0.00 H new ATOM 0 HA LEU A 48 11.844 -0.050 5.328 1.00 0.00 H new ATOM 0 HB2 LEU A 48 13.542 -0.585 2.952 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.827 -1.645 4.318 1.00 0.00 H new ATOM 0 HG LEU A 48 11.008 -1.502 3.964 1.00 0.00 H new ATOM 0 HD11 LEU A 48 10.782 -2.347 1.662 1.00 0.00 H new ATOM 0 HD12 LEU A 48 11.423 -0.687 1.697 1.00 0.00 H new ATOM 0 HD13 LEU A 48 12.517 -2.057 1.390 1.00 0.00 H new ATOM 0 HD21 LEU A 48 11.263 -3.910 3.506 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.017 -3.681 3.308 1.00 0.00 H new ATOM 0 HD23 LEU A 48 12.255 -3.392 4.890 1.00 0.00 H new ATOM 682 N PRO A 49 13.506 0.624 7.085 1.00 0.00 N ATOM 683 CA PRO A 49 14.454 0.778 8.193 1.00 0.00 C ATOM 684 C PRO A 49 15.041 -0.556 8.644 1.00 0.00 C ATOM 685 O PRO A 49 14.641 -1.616 8.161 1.00 0.00 O ATOM 686 CB PRO A 49 13.601 1.391 9.306 1.00 0.00 C ATOM 687 CG PRO A 49 12.209 0.960 8.997 1.00 0.00 C ATOM 688 CD PRO A 49 12.118 0.894 7.497 1.00 0.00 C ATOM 0 HA PRO A 49 15.314 1.386 7.912 1.00 0.00 H new ATOM 0 HB2 PRO A 49 13.917 1.037 10.287 1.00 0.00 H new ATOM 0 HB3 PRO A 49 13.686 2.478 9.317 1.00 0.00 H new ATOM 0 HG2 PRO A 49 11.993 -0.010 9.444 1.00 0.00 H new ATOM 0 HG3 PRO A 49 11.483 1.666 9.401 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.441 0.105 7.169 1.00 0.00 H new ATOM 0 HD3 PRO A 49 11.748 1.828 7.075 1.00 0.00 H new ATOM 696 N VAL A 50 15.990 -0.495 9.572 1.00 0.00 N ATOM 697 CA VAL A 50 16.630 -1.699 10.089 1.00 0.00 C ATOM 698 C VAL A 50 17.003 -1.535 11.559 1.00 0.00 C ATOM 699 O VAL A 50 16.846 -0.457 12.132 1.00 0.00 O ATOM 700 CB VAL A 50 17.897 -2.049 9.286 1.00 0.00 C ATOM 701 CG1 VAL A 50 17.527 -2.690 7.957 1.00 0.00 C ATOM 702 CG2 VAL A 50 18.751 -0.809 9.069 1.00 0.00 C ATOM 0 H VAL A 50 16.333 0.374 9.981 1.00 0.00 H new ATOM 0 HA VAL A 50 15.909 -2.510 9.988 1.00 0.00 H new ATOM 0 HB VAL A 50 18.481 -2.769 9.860 1.00 0.00 H new ATOM 0 HG11 VAL A 50 18.435 -2.930 7.404 1.00 0.00 H new ATOM 0 HG12 VAL A 50 16.960 -3.603 8.139 1.00 0.00 H new ATOM 0 HG13 VAL A 50 16.920 -1.996 7.375 1.00 0.00 H new ATOM 0 HG21 VAL A 50 19.642 -1.076 8.500 1.00 0.00 H new ATOM 0 HG22 VAL A 50 18.177 -0.064 8.517 1.00 0.00 H new ATOM 0 HG23 VAL A 50 19.047 -0.397 10.034 1.00 0.00 H new ATOM 803 N THR A 57 13.511 -4.428 10.596 1.00 0.00 N ATOM 804 CA THR A 57 12.639 -4.353 11.760 1.00 0.00 C ATOM 805 C THR A 57 11.233 -4.836 11.427 1.00 0.00 C ATOM 806 O THR A 57 10.314 -4.712 12.236 1.00 0.00 O ATOM 807 CB THR A 57 12.559 -2.916 12.310 1.00 0.00 C ATOM 808 OG1 THR A 57 11.810 -2.089 11.412 1.00 0.00 O ATOM 809 CG2 THR A 57 13.950 -2.332 12.504 1.00 0.00 C ATOM 0 HA THR A 57 13.072 -5.002 12.521 1.00 0.00 H new ATOM 0 HB THR A 57 12.058 -2.948 13.277 1.00 0.00 H new ATOM 0 HG1 THR A 57 11.762 -1.178 11.769 1.00 0.00 H new ATOM 0 HG21 THR A 57 13.868 -1.317 12.893 1.00 0.00 H new ATOM 0 HG22 THR A 57 14.508 -2.947 13.210 1.00 0.00 H new ATOM 0 HG23 THR A 57 14.473 -2.313 11.548 1.00 0.00 H new ATOM 817 N GLY A 58 11.071 -5.389 10.228 1.00 0.00 N ATOM 818 CA GLY A 58 9.771 -5.885 9.810 1.00 0.00 C ATOM 819 C GLY A 58 8.794 -4.766 9.511 1.00 0.00 C ATOM 820 O GLY A 58 7.585 -4.987 9.458 1.00 0.00 O ATOM 0 H GLY A 58 11.815 -5.502 9.540 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.891 -6.506 8.922 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.360 -6.523 10.592 1.00 0.00 H new ATOM 824 N GLU A 59 9.318 -3.559 9.315 1.00 0.00 N ATOM 825 CA GLU A 59 8.481 -2.402 9.023 1.00 0.00 C ATOM 826 C GLU A 59 8.874 -1.771 7.690 1.00 0.00 C ATOM 827 O GLU A 59 10.020 -1.877 7.254 1.00 0.00 O ATOM 828 CB GLU A 59 8.596 -1.365 10.144 1.00 0.00 C ATOM 829 CG GLU A 59 7.887 -1.775 11.424 1.00 0.00 C ATOM 830 CD GLU A 59 8.376 -1.000 12.634 1.00 0.00 C ATOM 831 OE1 GLU A 59 8.059 0.203 12.734 1.00 0.00 O ATOM 832 OE2 GLU A 59 9.074 -1.598 13.479 1.00 0.00 O ATOM 0 H GLU A 59 10.317 -3.358 9.353 1.00 0.00 H new ATOM 0 HA GLU A 59 7.447 -2.740 8.956 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.650 -1.192 10.361 1.00 0.00 H new ATOM 0 HB3 GLU A 59 8.183 -0.418 9.796 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.814 -1.620 11.307 1.00 0.00 H new ATOM 0 HG3 GLU A 59 8.039 -2.841 11.594 1.00 0.00 H new ATOM 839 N ALA A 60 7.914 -1.113 7.048 1.00 0.00 N ATOM 840 CA ALA A 60 8.158 -0.463 5.766 1.00 0.00 C ATOM 841 C ALA A 60 7.153 0.657 5.520 1.00 0.00 C ATOM 842 O ALA A 60 6.042 0.638 6.050 1.00 0.00 O ATOM 843 CB ALA A 60 8.102 -1.483 4.639 1.00 0.00 C ATOM 0 H ALA A 60 6.960 -1.016 7.395 1.00 0.00 H new ATOM 0 HA ALA A 60 9.155 -0.022 5.792 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.286 -0.984 3.687 1.00 0.00 H new ATOM 0 HB2 ALA A 60 8.863 -2.247 4.801 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.117 -1.950 4.620 1.00 0.00 H new ATOM 849 N PHE A 61 7.550 1.633 4.710 1.00 0.00 N ATOM 850 CA PHE A 61 6.685 2.763 4.393 1.00 0.00 C ATOM 851 C PHE A 61 6.623 2.996 2.887 1.00 0.00 C ATOM 852 O PHE A 61 7.598 3.431 2.274 1.00 0.00 O ATOM 853 CB PHE A 61 7.183 4.028 5.096 1.00 0.00 C ATOM 854 CG PHE A 61 7.028 3.984 6.589 1.00 0.00 C ATOM 855 CD1 PHE A 61 5.797 4.222 7.178 1.00 0.00 C ATOM 856 CD2 PHE A 61 8.114 3.707 7.404 1.00 0.00 C ATOM 857 CE1 PHE A 61 5.651 4.182 8.552 1.00 0.00 C ATOM 858 CE2 PHE A 61 7.974 3.666 8.778 1.00 0.00 C ATOM 859 CZ PHE A 61 6.740 3.905 9.353 1.00 0.00 C ATOM 0 H PHE A 61 8.465 1.664 4.261 1.00 0.00 H new ATOM 0 HA PHE A 61 5.681 2.530 4.748 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.235 4.180 4.852 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.638 4.888 4.707 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.941 4.441 6.557 1.00 0.00 H new ATOM 0 HD2 PHE A 61 9.081 3.521 6.960 1.00 0.00 H new ATOM 0 HE1 PHE A 61 4.685 4.367 8.998 1.00 0.00 H new ATOM 0 HE2 PHE A 61 8.828 3.447 9.402 1.00 0.00 H new ATOM 0 HZ PHE A 61 6.628 3.875 10.427 1.00 0.00 H new ATOM 869 N VAL A 62 5.469 2.703 2.294 1.00 0.00 N ATOM 870 CA VAL A 62 5.279 2.880 0.861 1.00 0.00 C ATOM 871 C VAL A 62 4.428 4.110 0.566 1.00 0.00 C ATOM 872 O VAL A 62 3.490 4.418 1.302 1.00 0.00 O ATOM 873 CB VAL A 62 4.612 1.645 0.225 1.00 0.00 C ATOM 874 CG1 VAL A 62 4.423 1.849 -1.270 1.00 0.00 C ATOM 875 CG2 VAL A 62 5.435 0.395 0.502 1.00 0.00 C ATOM 0 H VAL A 62 4.652 2.342 2.786 1.00 0.00 H new ATOM 0 HA VAL A 62 6.270 3.014 0.426 1.00 0.00 H new ATOM 0 HB VAL A 62 3.628 1.513 0.675 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.951 0.966 -1.701 1.00 0.00 H new ATOM 0 HG12 VAL A 62 3.790 2.719 -1.441 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.393 2.008 -1.741 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.950 -0.468 0.046 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.433 0.516 0.080 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.512 0.241 1.578 1.00 0.00 H new ATOM 885 N GLN A 63 4.760 4.809 -0.514 1.00 0.00 N ATOM 886 CA GLN A 63 4.026 6.007 -0.905 1.00 0.00 C ATOM 887 C GLN A 63 3.371 5.822 -2.270 1.00 0.00 C ATOM 888 O GLN A 63 4.052 5.772 -3.294 1.00 0.00 O ATOM 889 CB GLN A 63 4.960 7.217 -0.934 1.00 0.00 C ATOM 890 CG GLN A 63 4.263 8.515 -1.308 1.00 0.00 C ATOM 891 CD GLN A 63 5.238 9.651 -1.555 1.00 0.00 C ATOM 892 OE1 GLN A 63 6.431 9.532 -1.275 1.00 0.00 O ATOM 893 NE2 GLN A 63 4.733 10.760 -2.083 1.00 0.00 N ATOM 0 H GLN A 63 5.533 4.567 -1.134 1.00 0.00 H new ATOM 0 HA GLN A 63 3.243 6.180 -0.167 1.00 0.00 H new ATOM 0 HB2 GLN A 63 5.422 7.332 0.046 1.00 0.00 H new ATOM 0 HB3 GLN A 63 5.764 7.028 -1.645 1.00 0.00 H new ATOM 0 HG2 GLN A 63 3.662 8.356 -2.203 1.00 0.00 H new ATOM 0 HG3 GLN A 63 3.576 8.797 -0.510 1.00 0.00 H new ATOM 0 HE21 GLN A 63 3.738 10.815 -2.299 1.00 0.00 H new ATOM 0 HE22 GLN A 63 5.340 11.557 -2.272 1.00 0.00 H new ATOM 902 N PHE A 64 2.046 5.722 -2.276 1.00 0.00 N ATOM 903 CA PHE A 64 1.299 5.542 -3.516 1.00 0.00 C ATOM 904 C PHE A 64 1.190 6.857 -4.280 1.00 0.00 C ATOM 905 O PHE A 64 1.293 7.937 -3.699 1.00 0.00 O ATOM 906 CB PHE A 64 -0.099 4.994 -3.219 1.00 0.00 C ATOM 907 CG PHE A 64 -0.117 3.517 -2.945 1.00 0.00 C ATOM 908 CD1 PHE A 64 -0.042 2.605 -3.985 1.00 0.00 C ATOM 909 CD2 PHE A 64 -0.212 3.041 -1.646 1.00 0.00 C ATOM 910 CE1 PHE A 64 -0.058 1.246 -3.736 1.00 0.00 C ATOM 911 CE2 PHE A 64 -0.227 1.683 -1.392 1.00 0.00 C ATOM 912 CZ PHE A 64 -0.153 0.784 -2.438 1.00 0.00 C ATOM 0 H PHE A 64 1.467 5.762 -1.437 1.00 0.00 H new ATOM 0 HA PHE A 64 1.838 4.826 -4.136 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -0.512 5.520 -2.358 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -0.752 5.207 -4.066 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.030 2.960 -5.002 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -0.275 3.739 -0.824 1.00 0.00 H new ATOM 0 HE1 PHE A 64 0.004 0.546 -4.556 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.297 1.324 -0.376 1.00 0.00 H new ATOM 0 HZ PHE A 64 -0.169 -0.278 -2.241 1.00 0.00 H new ATOM 922 N ALA A 65 0.980 6.759 -5.589 1.00 0.00 N ATOM 923 CA ALA A 65 0.855 7.939 -6.435 1.00 0.00 C ATOM 924 C ALA A 65 -0.207 8.890 -5.896 1.00 0.00 C ATOM 925 O ALA A 65 -0.128 10.102 -6.095 1.00 0.00 O ATOM 926 CB ALA A 65 0.527 7.533 -7.864 1.00 0.00 C ATOM 0 H ALA A 65 0.893 5.873 -6.087 1.00 0.00 H new ATOM 0 HA ALA A 65 1.811 8.462 -6.429 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.437 8.425 -8.484 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.323 6.899 -8.254 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -0.414 6.984 -7.879 1.00 0.00 H new ATOM 932 N SER A 66 -1.203 8.332 -5.213 1.00 0.00 N ATOM 933 CA SER A 66 -2.284 9.132 -4.649 1.00 0.00 C ATOM 934 C SER A 66 -3.057 8.337 -3.601 1.00 0.00 C ATOM 935 O SER A 66 -2.992 7.108 -3.567 1.00 0.00 O ATOM 936 CB SER A 66 -3.233 9.596 -5.754 1.00 0.00 C ATOM 937 OG SER A 66 -4.189 10.515 -5.253 1.00 0.00 O ATOM 0 H SER A 66 -1.283 7.330 -5.037 1.00 0.00 H new ATOM 0 HA SER A 66 -1.844 10.005 -4.167 1.00 0.00 H new ATOM 0 HB2 SER A 66 -2.661 10.062 -6.556 1.00 0.00 H new ATOM 0 HB3 SER A 66 -3.743 8.735 -6.185 1.00 0.00 H new ATOM 0 HG SER A 66 -5.020 10.435 -5.767 1.00 0.00 H new ATOM 943 N GLN A 67 -3.788 9.047 -2.747 1.00 0.00 N ATOM 944 CA GLN A 67 -4.572 8.408 -1.698 1.00 0.00 C ATOM 945 C GLN A 67 -5.504 7.351 -2.282 1.00 0.00 C ATOM 946 O GLN A 67 -5.528 6.211 -1.820 1.00 0.00 O ATOM 947 CB GLN A 67 -5.385 9.453 -0.933 1.00 0.00 C ATOM 948 CG GLN A 67 -5.779 9.012 0.468 1.00 0.00 C ATOM 949 CD GLN A 67 -4.597 8.524 1.281 1.00 0.00 C ATOM 950 OE1 GLN A 67 -3.805 9.320 1.786 1.00 0.00 O ATOM 951 NE2 GLN A 67 -4.470 7.208 1.413 1.00 0.00 N ATOM 0 H GLN A 67 -3.853 10.065 -2.762 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.882 7.919 -1.011 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -4.806 10.374 -0.865 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -6.287 9.685 -1.499 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -6.253 9.845 0.987 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -6.521 8.216 0.399 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -5.149 6.584 0.978 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -3.693 6.822 1.950 1.00 0.00 H new ATOM 960 N GLU A 68 -6.267 7.738 -3.298 1.00 0.00 N ATOM 961 CA GLU A 68 -7.201 6.822 -3.943 1.00 0.00 C ATOM 962 C GLU A 68 -6.547 5.466 -4.196 1.00 0.00 C ATOM 963 O GLU A 68 -7.182 4.422 -4.046 1.00 0.00 O ATOM 964 CB GLU A 68 -7.699 7.413 -5.264 1.00 0.00 C ATOM 965 CG GLU A 68 -6.602 7.604 -6.297 1.00 0.00 C ATOM 966 CD GLU A 68 -7.006 8.556 -7.408 1.00 0.00 C ATOM 967 OE1 GLU A 68 -7.694 8.110 -8.350 1.00 0.00 O ATOM 968 OE2 GLU A 68 -6.634 9.746 -7.334 1.00 0.00 O ATOM 0 H GLU A 68 -6.257 8.679 -3.693 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.049 6.678 -3.274 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -8.467 6.759 -5.678 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -8.172 8.375 -5.067 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.707 7.985 -5.805 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -6.342 6.637 -6.728 1.00 0.00 H new ATOM 975 N ILE A 69 -5.275 5.492 -4.579 1.00 0.00 N ATOM 976 CA ILE A 69 -4.535 4.265 -4.850 1.00 0.00 C ATOM 977 C ILE A 69 -4.103 3.586 -3.555 1.00 0.00 C ATOM 978 O ILE A 69 -3.999 2.361 -3.491 1.00 0.00 O ATOM 979 CB ILE A 69 -3.289 4.540 -5.713 1.00 0.00 C ATOM 980 CG1 ILE A 69 -3.701 5.020 -7.106 1.00 0.00 C ATOM 981 CG2 ILE A 69 -2.427 3.290 -5.811 1.00 0.00 C ATOM 982 CD1 ILE A 69 -2.530 5.402 -7.985 1.00 0.00 C ATOM 0 H ILE A 69 -4.736 6.348 -4.709 1.00 0.00 H new ATOM 0 HA ILE A 69 -5.208 3.604 -5.396 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.703 5.326 -5.238 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -4.273 4.233 -7.598 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -4.364 5.879 -7.004 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.550 3.500 -6.424 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.108 2.989 -4.813 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -3.004 2.485 -6.266 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.897 5.732 -8.957 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.970 6.210 -7.514 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.878 4.539 -8.118 1.00 0.00 H new ATOM 994 N ALA A 70 -3.856 4.389 -2.526 1.00 0.00 N ATOM 995 CA ALA A 70 -3.440 3.864 -1.231 1.00 0.00 C ATOM 996 C ALA A 70 -4.539 3.013 -0.604 1.00 0.00 C ATOM 997 O ALA A 70 -4.286 1.904 -0.136 1.00 0.00 O ATOM 998 CB ALA A 70 -3.055 5.004 -0.299 1.00 0.00 C ATOM 0 H ALA A 70 -3.937 5.405 -2.563 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.569 3.227 -1.387 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.746 4.598 0.664 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.231 5.568 -0.736 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -3.911 5.663 -0.157 1.00 0.00 H new ATOM 1004 N GLU A 71 -5.760 3.540 -0.600 1.00 0.00 N ATOM 1005 CA GLU A 71 -6.896 2.829 -0.029 1.00 0.00 C ATOM 1006 C GLU A 71 -7.044 1.446 -0.658 1.00 0.00 C ATOM 1007 O GLU A 71 -7.350 0.469 0.026 1.00 0.00 O ATOM 1008 CB GLU A 71 -8.183 3.633 -0.229 1.00 0.00 C ATOM 1009 CG GLU A 71 -8.377 4.736 0.797 1.00 0.00 C ATOM 1010 CD GLU A 71 -9.776 4.750 1.381 1.00 0.00 C ATOM 1011 OE1 GLU A 71 -10.739 4.512 0.623 1.00 0.00 O ATOM 1012 OE2 GLU A 71 -9.908 4.998 2.598 1.00 0.00 O ATOM 0 H GLU A 71 -5.987 4.457 -0.986 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.716 2.706 1.039 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -8.175 4.073 -1.226 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -9.035 2.955 -0.187 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -7.653 4.610 1.602 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -8.172 5.700 0.332 1.00 0.00 H new ATOM 1019 N LYS A 72 -6.826 1.371 -1.966 1.00 0.00 N ATOM 1020 CA LYS A 72 -6.934 0.110 -2.690 1.00 0.00 C ATOM 1021 C LYS A 72 -5.970 -0.927 -2.122 1.00 0.00 C ATOM 1022 O LYS A 72 -6.295 -2.111 -2.040 1.00 0.00 O ATOM 1023 CB LYS A 72 -6.648 0.326 -4.178 1.00 0.00 C ATOM 1024 CG LYS A 72 -7.528 1.386 -4.818 1.00 0.00 C ATOM 1025 CD LYS A 72 -7.854 1.042 -6.262 1.00 0.00 C ATOM 1026 CE LYS A 72 -7.340 2.106 -7.218 1.00 0.00 C ATOM 1027 NZ LYS A 72 -8.277 2.333 -8.353 1.00 0.00 N ATOM 0 H LYS A 72 -6.573 2.170 -2.547 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.952 -0.262 -2.572 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.603 0.610 -4.301 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.786 -0.617 -4.707 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.452 1.485 -4.249 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.024 2.352 -4.778 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.412 0.079 -6.516 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.933 0.938 -6.378 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -7.193 3.040 -6.676 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -6.366 1.806 -7.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -7.890 3.066 -8.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -8.398 1.448 -8.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -9.199 2.644 -7.985 1.00 0.00 H new ATOM 1041 N ALA A 73 -4.783 -0.473 -1.730 1.00 0.00 N ATOM 1042 CA ALA A 73 -3.774 -1.362 -1.166 1.00 0.00 C ATOM 1043 C ALA A 73 -4.041 -1.628 0.311 1.00 0.00 C ATOM 1044 O ALA A 73 -3.557 -2.612 0.872 1.00 0.00 O ATOM 1045 CB ALA A 73 -2.385 -0.770 -1.356 1.00 0.00 C ATOM 0 H ALA A 73 -4.497 0.504 -1.793 1.00 0.00 H new ATOM 0 HA ALA A 73 -3.827 -2.314 -1.694 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.641 -1.444 -0.931 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -2.188 -0.638 -2.420 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -2.329 0.196 -0.854 1.00 0.00 H new ATOM 1051 N LEU A 74 -4.811 -0.746 0.937 1.00 0.00 N ATOM 1052 CA LEU A 74 -5.143 -0.886 2.351 1.00 0.00 C ATOM 1053 C LEU A 74 -5.918 -2.174 2.603 1.00 0.00 C ATOM 1054 O LEU A 74 -5.736 -2.831 3.629 1.00 0.00 O ATOM 1055 CB LEU A 74 -5.960 0.317 2.825 1.00 0.00 C ATOM 1056 CG LEU A 74 -5.210 1.348 3.670 1.00 0.00 C ATOM 1057 CD1 LEU A 74 -6.105 2.539 3.977 1.00 0.00 C ATOM 1058 CD2 LEU A 74 -4.701 0.714 4.956 1.00 0.00 C ATOM 0 H LEU A 74 -5.218 0.075 0.488 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.211 -0.929 2.915 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -6.367 0.822 1.949 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.807 -0.050 3.404 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.352 1.703 3.100 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.555 3.262 4.579 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -6.420 3.008 3.045 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.983 2.202 4.528 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.170 1.462 5.545 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -5.544 0.331 5.531 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.024 -0.105 4.715 1.00 0.00 H new ATOM 1070 N LYS A 75 -6.784 -2.532 1.661 1.00 0.00 N ATOM 1071 CA LYS A 75 -7.586 -3.744 1.778 1.00 0.00 C ATOM 1072 C LYS A 75 -6.701 -4.985 1.769 1.00 0.00 C ATOM 1073 O LYS A 75 -7.149 -6.083 2.102 1.00 0.00 O ATOM 1074 CB LYS A 75 -8.603 -3.821 0.636 1.00 0.00 C ATOM 1075 CG LYS A 75 -9.481 -2.586 0.521 1.00 0.00 C ATOM 1076 CD LYS A 75 -10.825 -2.794 1.198 1.00 0.00 C ATOM 1077 CE LYS A 75 -11.972 -2.324 0.315 1.00 0.00 C ATOM 1078 NZ LYS A 75 -12.164 -3.214 -0.864 1.00 0.00 N ATOM 0 H LYS A 75 -6.948 -1.999 0.807 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.119 -3.706 2.728 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.071 -3.968 -0.304 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.237 -4.695 0.783 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.973 -1.734 0.972 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.636 -2.345 -0.531 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -10.955 -3.850 1.434 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.846 -2.251 2.143 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -12.891 -2.292 0.900 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.775 -1.307 -0.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.090 -3.022 -1.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.413 -3.034 -1.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.123 -4.208 -0.559 1.00 0.00 H new ATOM 1092 N LYS A 76 -5.442 -4.806 1.386 1.00 0.00 N ATOM 1093 CA LYS A 76 -4.490 -5.910 1.335 1.00 0.00 C ATOM 1094 C LYS A 76 -3.856 -6.145 2.703 1.00 0.00 C ATOM 1095 O LYS A 76 -2.698 -6.551 2.798 1.00 0.00 O ATOM 1096 CB LYS A 76 -3.402 -5.628 0.298 1.00 0.00 C ATOM 1097 CG LYS A 76 -3.948 -5.232 -1.064 1.00 0.00 C ATOM 1098 CD LYS A 76 -2.840 -4.776 -1.998 1.00 0.00 C ATOM 1099 CE LYS A 76 -2.089 -5.957 -2.592 1.00 0.00 C ATOM 1100 NZ LYS A 76 -2.216 -6.006 -4.075 1.00 0.00 N ATOM 0 H LYS A 76 -5.056 -3.905 1.106 1.00 0.00 H new ATOM 0 HA LYS A 76 -5.032 -6.810 1.045 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -2.757 -4.831 0.668 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.779 -6.516 0.186 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -4.473 -6.079 -1.507 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -4.678 -4.431 -0.946 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.265 -4.173 -2.801 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -2.144 -4.138 -1.454 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.036 -5.892 -2.320 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -2.472 -6.883 -2.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.649 -6.795 -4.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -3.214 -6.145 -4.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.874 -5.112 -4.482 1.00 0.00 H new ATOM 1114 N HIS A 77 -4.622 -5.887 3.758 1.00 0.00 N ATOM 1115 CA HIS A 77 -4.134 -6.072 5.121 1.00 0.00 C ATOM 1116 C HIS A 77 -4.055 -7.555 5.472 1.00 0.00 C ATOM 1117 O HIS A 77 -4.790 -8.374 4.921 1.00 0.00 O ATOM 1118 CB HIS A 77 -5.044 -5.348 6.113 1.00 0.00 C ATOM 1119 CG HIS A 77 -4.849 -5.785 7.533 1.00 0.00 C ATOM 1120 ND1 HIS A 77 -4.007 -5.137 8.410 1.00 0.00 N ATOM 1121 CD2 HIS A 77 -5.396 -6.811 8.226 1.00 0.00 C ATOM 1122 CE1 HIS A 77 -4.042 -5.747 9.582 1.00 0.00 C ATOM 1123 NE2 HIS A 77 -4.879 -6.765 9.496 1.00 0.00 N ATOM 0 H HIS A 77 -5.583 -5.549 3.696 1.00 0.00 H new ATOM 0 HA HIS A 77 -3.132 -5.648 5.184 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -4.863 -4.275 6.043 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -6.083 -5.515 5.829 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -6.107 -7.532 7.849 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -3.482 -5.462 10.460 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -5.105 -7.412 10.251 1.00 0.00 H new ATOM 1131 N LYS A 78 -3.159 -7.892 6.393 1.00 0.00 N ATOM 1132 CA LYS A 78 -2.984 -9.274 6.820 1.00 0.00 C ATOM 1133 C LYS A 78 -2.548 -10.154 5.652 1.00 0.00 C ATOM 1134 O LYS A 78 -2.510 -11.378 5.765 1.00 0.00 O ATOM 1135 CB LYS A 78 -4.283 -9.814 7.421 1.00 0.00 C ATOM 1136 CG LYS A 78 -4.223 -10.009 8.926 1.00 0.00 C ATOM 1137 CD LYS A 78 -3.219 -11.084 9.309 1.00 0.00 C ATOM 1138 CE LYS A 78 -3.307 -11.426 10.788 1.00 0.00 C ATOM 1139 NZ LYS A 78 -2.021 -11.968 11.308 1.00 0.00 N ATOM 0 H LYS A 78 -2.542 -7.226 6.858 1.00 0.00 H new ATOM 0 HA LYS A 78 -2.203 -9.296 7.580 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.096 -9.127 7.184 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -4.523 -10.767 6.949 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.951 -9.068 9.405 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.210 -10.283 9.298 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.400 -11.980 8.716 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.211 -10.743 9.072 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.580 -10.534 11.352 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.100 -12.157 10.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.121 -12.189 12.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.773 -12.833 10.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.269 -11.260 11.181 1.00 0.00 H new ATOM 1153 N GLU A 79 -2.220 -9.520 4.530 1.00 0.00 N ATOM 1154 CA GLU A 79 -1.787 -10.246 3.342 1.00 0.00 C ATOM 1155 C GLU A 79 -0.370 -10.785 3.519 1.00 0.00 C ATOM 1156 O GLU A 79 0.589 -10.019 3.616 1.00 0.00 O ATOM 1157 CB GLU A 79 -1.848 -9.337 2.112 1.00 0.00 C ATOM 1158 CG GLU A 79 -3.260 -9.090 1.608 1.00 0.00 C ATOM 1159 CD GLU A 79 -3.609 -9.946 0.405 1.00 0.00 C ATOM 1160 OE1 GLU A 79 -2.923 -9.820 -0.631 1.00 0.00 O ATOM 1161 OE2 GLU A 79 -4.566 -10.741 0.500 1.00 0.00 O ATOM 0 H GLU A 79 -2.246 -8.506 4.419 1.00 0.00 H new ATOM 0 HA GLU A 79 -2.462 -11.089 3.197 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -1.385 -8.380 2.354 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.258 -9.783 1.311 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -3.969 -9.292 2.411 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.369 -8.038 1.344 1.00 0.00 H new ATOM 1168 N ARG A 80 -0.248 -12.107 3.564 1.00 0.00 N ATOM 1169 CA ARG A 80 1.050 -12.749 3.732 1.00 0.00 C ATOM 1170 C ARG A 80 1.817 -12.779 2.412 1.00 0.00 C ATOM 1171 O ARG A 80 1.227 -12.948 1.344 1.00 0.00 O ATOM 1172 CB ARG A 80 0.874 -14.173 4.263 1.00 0.00 C ATOM 1173 CG ARG A 80 0.182 -15.108 3.284 1.00 0.00 C ATOM 1174 CD ARG A 80 1.187 -15.963 2.529 1.00 0.00 C ATOM 1175 NE ARG A 80 1.074 -15.793 1.083 1.00 0.00 N ATOM 1176 CZ ARG A 80 1.563 -16.655 0.200 1.00 0.00 C ATOM 1177 NH1 ARG A 80 2.196 -17.744 0.613 1.00 0.00 N ATOM 1178 NH2 ARG A 80 1.421 -16.430 -1.100 1.00 0.00 N ATOM 0 H ARG A 80 -1.032 -12.755 3.486 1.00 0.00 H new ATOM 0 HA ARG A 80 1.624 -12.167 4.453 1.00 0.00 H new ATOM 0 HB2 ARG A 80 1.853 -14.582 4.513 1.00 0.00 H new ATOM 0 HB3 ARG A 80 0.298 -14.138 5.188 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -0.513 -15.752 3.823 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -0.407 -14.525 2.576 1.00 0.00 H new ATOM 0 HD2 ARG A 80 2.196 -15.702 2.847 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.034 -17.012 2.784 1.00 0.00 H new ATOM 0 HE ARG A 80 0.592 -14.965 0.732 1.00 0.00 H new ATOM 0 HH11 ARG A 80 2.308 -17.921 1.611 1.00 0.00 H new ATOM 0 HH12 ARG A 80 2.571 -18.405 -0.067 1.00 0.00 H new ATOM 0 HH21 ARG A 80 0.935 -15.593 -1.423 1.00 0.00 H new ATOM 0 HH22 ARG A 80 1.798 -17.094 -1.777 1.00 0.00 H new ATOM 1192 N ILE A 81 3.132 -12.614 2.495 1.00 0.00 N ATOM 1193 CA ILE A 81 3.979 -12.622 1.309 1.00 0.00 C ATOM 1194 C ILE A 81 4.947 -13.801 1.332 1.00 0.00 C ATOM 1195 O ILE A 81 6.069 -13.687 1.821 1.00 0.00 O ATOM 1196 CB ILE A 81 4.784 -11.316 1.182 1.00 0.00 C ATOM 1197 CG1 ILE A 81 3.854 -10.150 0.839 1.00 0.00 C ATOM 1198 CG2 ILE A 81 5.870 -11.462 0.127 1.00 0.00 C ATOM 1199 CD1 ILE A 81 4.489 -8.792 1.041 1.00 0.00 C ATOM 0 H ILE A 81 3.635 -12.473 3.371 1.00 0.00 H new ATOM 0 HA ILE A 81 3.315 -12.715 0.449 1.00 0.00 H new ATOM 0 HB ILE A 81 5.262 -11.107 2.139 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.536 -10.243 -0.199 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.957 -10.218 1.454 1.00 0.00 H new ATOM 0 HG21 ILE A 81 6.430 -10.530 0.050 1.00 0.00 H new ATOM 0 HG22 ILE A 81 6.546 -12.269 0.410 1.00 0.00 H new ATOM 0 HG23 ILE A 81 5.413 -11.692 -0.836 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.773 -8.013 0.779 1.00 0.00 H new ATOM 0 HD12 ILE A 81 4.782 -8.679 2.085 1.00 0.00 H new ATOM 0 HD13 ILE A 81 5.370 -8.704 0.405 1.00 0.00 H new ATOM 1211 N GLY A 82 4.502 -14.935 0.797 1.00 0.00 N ATOM 1212 CA GLY A 82 5.341 -16.118 0.765 1.00 0.00 C ATOM 1213 C GLY A 82 5.059 -17.060 1.920 1.00 0.00 C ATOM 1214 O GLY A 82 5.073 -18.280 1.753 1.00 0.00 O ATOM 0 H GLY A 82 3.576 -15.055 0.386 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.185 -16.645 -0.176 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.388 -15.818 0.792 1.00 0.00 H new ATOM 1218 N HIS A 83 4.807 -16.493 3.095 1.00 0.00 N ATOM 1219 CA HIS A 83 4.523 -17.290 4.283 1.00 0.00 C ATOM 1220 C HIS A 83 4.647 -16.446 5.547 1.00 0.00 C ATOM 1221 O HIS A 83 5.170 -16.905 6.562 1.00 0.00 O ATOM 1222 CB HIS A 83 5.472 -18.487 4.359 1.00 0.00 C ATOM 1223 CG HIS A 83 6.847 -18.194 3.842 1.00 0.00 C ATOM 1224 ND1 HIS A 83 7.536 -17.039 4.150 1.00 0.00 N ATOM 1225 CD2 HIS A 83 7.663 -18.914 3.037 1.00 0.00 C ATOM 1226 CE1 HIS A 83 8.715 -17.062 3.554 1.00 0.00 C ATOM 1227 NE2 HIS A 83 8.816 -18.189 2.873 1.00 0.00 N ATOM 0 H HIS A 83 4.794 -15.485 3.250 1.00 0.00 H new ATOM 0 HA HIS A 83 3.498 -17.653 4.210 1.00 0.00 H new ATOM 0 HB2 HIS A 83 5.545 -18.817 5.395 1.00 0.00 H new ATOM 0 HB3 HIS A 83 5.047 -19.314 3.790 1.00 0.00 H new ATOM 0 HD2 HIS A 83 7.447 -19.880 2.604 1.00 0.00 H new ATOM 0 HE1 HIS A 83 9.468 -16.290 3.614 1.00 0.00 H new ATOM 0 HE2 HIS A 83 9.621 -18.474 2.315 1.00 0.00 H new ATOM 1235 N ARG A 84 4.164 -15.210 5.477 1.00 0.00 N ATOM 1236 CA ARG A 84 4.224 -14.301 6.615 1.00 0.00 C ATOM 1237 C ARG A 84 3.210 -13.170 6.462 1.00 0.00 C ATOM 1238 O ARG A 84 3.426 -12.229 5.696 1.00 0.00 O ATOM 1239 CB ARG A 84 5.632 -13.722 6.759 1.00 0.00 C ATOM 1240 CG ARG A 84 6.399 -14.277 7.948 1.00 0.00 C ATOM 1241 CD ARG A 84 6.165 -13.447 9.200 1.00 0.00 C ATOM 1242 NE ARG A 84 6.957 -13.925 10.331 1.00 0.00 N ATOM 1243 CZ ARG A 84 6.741 -13.553 11.588 1.00 0.00 C ATOM 1244 NH1 ARG A 84 5.764 -12.704 11.874 1.00 0.00 N ATOM 1245 NH2 ARG A 84 7.504 -14.032 12.562 1.00 0.00 N ATOM 0 H ARG A 84 3.727 -14.815 4.644 1.00 0.00 H new ATOM 0 HA ARG A 84 3.978 -14.867 7.513 1.00 0.00 H new ATOM 0 HB2 ARG A 84 6.194 -13.925 5.848 1.00 0.00 H new ATOM 0 HB3 ARG A 84 5.562 -12.639 6.856 1.00 0.00 H new ATOM 0 HG2 ARG A 84 6.093 -15.307 8.131 1.00 0.00 H new ATOM 0 HG3 ARG A 84 7.464 -14.297 7.718 1.00 0.00 H new ATOM 0 HD2 ARG A 84 6.416 -12.406 8.997 1.00 0.00 H new ATOM 0 HD3 ARG A 84 5.107 -13.475 9.461 1.00 0.00 H new ATOM 0 HE ARG A 84 7.717 -14.580 10.145 1.00 0.00 H new ATOM 0 HH11 ARG A 84 5.175 -12.334 11.128 1.00 0.00 H new ATOM 0 HH12 ARG A 84 5.601 -12.421 12.840 1.00 0.00 H new ATOM 0 HH21 ARG A 84 8.256 -14.686 12.346 1.00 0.00 H new ATOM 0 HH22 ARG A 84 7.338 -13.746 13.527 1.00 0.00 H new ATOM 1259 N TYR A 85 2.105 -13.269 7.192 1.00 0.00 N ATOM 1260 CA TYR A 85 1.057 -12.257 7.135 1.00 0.00 C ATOM 1261 C TYR A 85 1.647 -10.855 7.258 1.00 0.00 C ATOM 1262 O TYR A 85 2.562 -10.621 8.049 1.00 0.00 O ATOM 1263 CB TYR A 85 0.033 -12.490 8.246 1.00 0.00 C ATOM 1264 CG TYR A 85 -0.731 -13.787 8.103 1.00 0.00 C ATOM 1265 CD1 TYR A 85 -1.493 -14.045 6.970 1.00 0.00 C ATOM 1266 CD2 TYR A 85 -0.690 -14.753 9.099 1.00 0.00 C ATOM 1267 CE1 TYR A 85 -2.193 -15.228 6.835 1.00 0.00 C ATOM 1268 CE2 TYR A 85 -1.387 -15.940 8.973 1.00 0.00 C ATOM 1269 CZ TYR A 85 -2.137 -16.173 7.839 1.00 0.00 C ATOM 1270 OH TYR A 85 -2.832 -17.353 7.707 1.00 0.00 O ATOM 0 H TYR A 85 1.912 -14.040 7.831 1.00 0.00 H new ATOM 0 HA TYR A 85 0.560 -12.339 6.169 1.00 0.00 H new ATOM 0 HB2 TYR A 85 0.545 -12.484 9.208 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.674 -11.661 8.257 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -1.539 -13.308 6.182 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -0.103 -14.574 9.988 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -2.781 -15.412 5.948 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -1.345 -16.681 9.758 1.00 0.00 H new ATOM 0 HH TYR A 85 -2.686 -17.909 8.500 1.00 0.00 H new ATOM 1280 N ILE A 86 1.117 -9.926 6.469 1.00 0.00 N ATOM 1281 CA ILE A 86 1.589 -8.547 6.491 1.00 0.00 C ATOM 1282 C ILE A 86 0.501 -7.601 6.988 1.00 0.00 C ATOM 1283 O ILE A 86 -0.617 -7.601 6.474 1.00 0.00 O ATOM 1284 CB ILE A 86 2.052 -8.089 5.095 1.00 0.00 C ATOM 1285 CG1 ILE A 86 2.940 -9.158 4.453 1.00 0.00 C ATOM 1286 CG2 ILE A 86 2.795 -6.764 5.191 1.00 0.00 C ATOM 1287 CD1 ILE A 86 4.399 -9.038 4.829 1.00 0.00 C ATOM 0 H ILE A 86 0.361 -10.103 5.807 1.00 0.00 H new ATOM 0 HA ILE A 86 2.436 -8.514 7.176 1.00 0.00 H new ATOM 0 HB ILE A 86 1.174 -7.946 4.466 1.00 0.00 H new ATOM 0 HG12 ILE A 86 2.578 -10.143 4.746 1.00 0.00 H new ATOM 0 HG13 ILE A 86 2.846 -9.093 3.369 1.00 0.00 H new ATOM 0 HG21 ILE A 86 3.116 -6.454 4.196 1.00 0.00 H new ATOM 0 HG22 ILE A 86 2.134 -6.006 5.612 1.00 0.00 H new ATOM 0 HG23 ILE A 86 3.668 -6.882 5.833 1.00 0.00 H new ATOM 0 HD11 ILE A 86 4.967 -9.828 4.338 1.00 0.00 H new ATOM 0 HD12 ILE A 86 4.778 -8.067 4.511 1.00 0.00 H new ATOM 0 HD13 ILE A 86 4.505 -9.133 5.910 1.00 0.00 H new ATOM 1299 N GLU A 87 0.838 -6.795 7.990 1.00 0.00 N ATOM 1300 CA GLU A 87 -0.110 -5.843 8.555 1.00 0.00 C ATOM 1301 C GLU A 87 0.083 -4.456 7.950 1.00 0.00 C ATOM 1302 O GLU A 87 1.144 -3.847 8.096 1.00 0.00 O ATOM 1303 CB GLU A 87 0.046 -5.775 10.076 1.00 0.00 C ATOM 1304 CG GLU A 87 -0.432 -7.026 10.794 1.00 0.00 C ATOM 1305 CD GLU A 87 0.667 -7.694 11.597 1.00 0.00 C ATOM 1306 OE1 GLU A 87 0.916 -7.255 12.740 1.00 0.00 O ATOM 1307 OE2 GLU A 87 1.279 -8.654 11.083 1.00 0.00 O ATOM 0 H GLU A 87 1.760 -6.783 8.427 1.00 0.00 H new ATOM 0 HA GLU A 87 -1.116 -6.187 8.315 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.095 -5.606 10.318 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -0.510 -4.916 10.452 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -1.256 -6.766 11.459 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -0.823 -7.733 10.063 1.00 0.00 H new ATOM 1314 N ILE A 88 -0.947 -3.963 7.271 1.00 0.00 N ATOM 1315 CA ILE A 88 -0.889 -2.649 6.644 1.00 0.00 C ATOM 1316 C ILE A 88 -1.719 -1.632 7.423 1.00 0.00 C ATOM 1317 O ILE A 88 -2.865 -1.897 7.785 1.00 0.00 O ATOM 1318 CB ILE A 88 -1.390 -2.696 5.188 1.00 0.00 C ATOM 1319 CG1 ILE A 88 -0.525 -3.647 4.359 1.00 0.00 C ATOM 1320 CG2 ILE A 88 -1.385 -1.301 4.581 1.00 0.00 C ATOM 1321 CD1 ILE A 88 -1.303 -4.419 3.318 1.00 0.00 C ATOM 0 H ILE A 88 -1.832 -4.454 7.141 1.00 0.00 H new ATOM 0 HA ILE A 88 0.157 -2.343 6.649 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.414 -3.069 5.183 1.00 0.00 H new ATOM 0 HG12 ILE A 88 0.259 -3.074 3.864 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -0.031 -4.352 5.028 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -1.741 -1.351 3.552 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.039 -0.650 5.161 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.371 -0.902 4.595 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.626 -5.073 2.768 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -2.069 -5.020 3.808 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.776 -3.722 2.626 1.00 0.00 H new ATOM 1333 N PHE A 89 -1.132 -0.467 7.675 1.00 0.00 N ATOM 1334 CA PHE A 89 -1.817 0.591 8.409 1.00 0.00 C ATOM 1335 C PHE A 89 -1.540 1.954 7.782 1.00 0.00 C ATOM 1336 O PHE A 89 -0.386 2.343 7.595 1.00 0.00 O ATOM 1337 CB PHE A 89 -1.376 0.591 9.874 1.00 0.00 C ATOM 1338 CG PHE A 89 -1.711 -0.679 10.601 1.00 0.00 C ATOM 1339 CD1 PHE A 89 -3.030 -1.039 10.823 1.00 0.00 C ATOM 1340 CD2 PHE A 89 -0.706 -1.515 11.063 1.00 0.00 C ATOM 1341 CE1 PHE A 89 -3.342 -2.207 11.493 1.00 0.00 C ATOM 1342 CE2 PHE A 89 -1.012 -2.684 11.733 1.00 0.00 C ATOM 1343 CZ PHE A 89 -2.332 -3.031 11.947 1.00 0.00 C ATOM 0 H PHE A 89 -0.184 -0.231 7.382 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.889 0.399 8.360 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.299 0.754 9.921 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.848 1.429 10.387 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.824 -0.399 10.468 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.328 -1.249 10.897 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.375 -2.475 11.661 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.220 -3.326 12.089 1.00 0.00 H new ATOM 0 HZ PHE A 89 -2.573 -3.945 12.469 1.00 0.00 H new ATOM 1353 N LYS A 90 -2.607 2.678 7.460 1.00 0.00 N ATOM 1354 CA LYS A 90 -2.482 3.999 6.856 1.00 0.00 C ATOM 1355 C LYS A 90 -1.442 4.837 7.591 1.00 0.00 C ATOM 1356 O LYS A 90 -1.461 4.933 8.817 1.00 0.00 O ATOM 1357 CB LYS A 90 -3.833 4.717 6.868 1.00 0.00 C ATOM 1358 CG LYS A 90 -4.274 5.207 5.500 1.00 0.00 C ATOM 1359 CD LYS A 90 -3.550 6.483 5.104 1.00 0.00 C ATOM 1360 CE LYS A 90 -4.400 7.343 4.181 1.00 0.00 C ATOM 1361 NZ LYS A 90 -5.277 8.275 4.943 1.00 0.00 N ATOM 0 H LYS A 90 -3.569 2.372 7.608 1.00 0.00 H new ATOM 0 HA LYS A 90 -2.155 3.870 5.824 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -4.591 4.041 7.264 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -3.777 5.567 7.548 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -4.083 4.433 4.756 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -5.349 5.385 5.506 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -3.295 7.050 5.999 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -2.613 6.232 4.608 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -3.751 7.915 3.518 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -5.014 6.701 3.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -5.840 8.843 4.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -5.914 7.728 5.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -4.690 8.905 5.526 1.00 0.00 H new ATOM 1375 N SER A 91 -0.534 5.444 6.832 1.00 0.00 N ATOM 1376 CA SER A 91 0.516 6.273 7.412 1.00 0.00 C ATOM 1377 C SER A 91 0.689 7.564 6.618 1.00 0.00 C ATOM 1378 O SER A 91 -0.092 7.860 5.713 1.00 0.00 O ATOM 1379 CB SER A 91 1.839 5.505 7.451 1.00 0.00 C ATOM 1380 OG SER A 91 2.771 6.138 8.309 1.00 0.00 O ATOM 0 H SER A 91 -0.505 5.377 5.815 1.00 0.00 H new ATOM 0 HA SER A 91 0.222 6.529 8.430 1.00 0.00 H new ATOM 0 HB2 SER A 91 1.661 4.485 7.792 1.00 0.00 H new ATOM 0 HB3 SER A 91 2.254 5.437 6.445 1.00 0.00 H new ATOM 0 HG SER A 91 3.680 5.979 7.979 1.00 0.00 H new ATOM 1386 N SER A 92 1.718 8.332 6.965 1.00 0.00 N ATOM 1387 CA SER A 92 1.992 9.594 6.289 1.00 0.00 C ATOM 1388 C SER A 92 3.491 9.781 6.072 1.00 0.00 C ATOM 1389 O SER A 92 4.309 9.142 6.735 1.00 0.00 O ATOM 1390 CB SER A 92 1.433 10.765 7.102 1.00 0.00 C ATOM 1391 OG SER A 92 1.250 11.909 6.287 1.00 0.00 O ATOM 0 H SER A 92 2.375 8.102 7.710 1.00 0.00 H new ATOM 0 HA SER A 92 1.502 9.569 5.316 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.482 10.479 7.552 1.00 0.00 H new ATOM 0 HB3 SER A 92 2.114 11.002 7.920 1.00 0.00 H new ATOM 0 HG SER A 92 0.891 12.642 6.829 1.00 0.00 H new ATOM 1397 N ARG A 93 3.843 10.659 5.139 1.00 0.00 N ATOM 1398 CA ARG A 93 5.242 10.929 4.834 1.00 0.00 C ATOM 1399 C ARG A 93 6.023 11.255 6.104 1.00 0.00 C ATOM 1400 O ARG A 93 7.054 10.644 6.386 1.00 0.00 O ATOM 1401 CB ARG A 93 5.356 12.088 3.841 1.00 0.00 C ATOM 1402 CG ARG A 93 6.776 12.597 3.658 1.00 0.00 C ATOM 1403 CD ARG A 93 7.658 11.557 2.984 1.00 0.00 C ATOM 1404 NE ARG A 93 8.927 11.379 3.682 1.00 0.00 N ATOM 1405 CZ ARG A 93 9.820 12.349 3.845 1.00 0.00 C ATOM 1406 NH1 ARG A 93 9.582 13.561 3.360 1.00 0.00 N ATOM 1407 NH2 ARG A 93 10.952 12.109 4.493 1.00 0.00 N ATOM 0 H ARG A 93 3.178 11.195 4.581 1.00 0.00 H new ATOM 0 HA ARG A 93 5.669 10.032 4.386 1.00 0.00 H new ATOM 0 HB2 ARG A 93 4.967 11.767 2.875 1.00 0.00 H new ATOM 0 HB3 ARG A 93 4.726 12.910 4.181 1.00 0.00 H new ATOM 0 HG2 ARG A 93 6.763 13.508 3.059 1.00 0.00 H new ATOM 0 HG3 ARG A 93 7.198 12.859 4.628 1.00 0.00 H new ATOM 0 HD2 ARG A 93 7.130 10.604 2.945 1.00 0.00 H new ATOM 0 HD3 ARG A 93 7.850 11.858 1.954 1.00 0.00 H new ATOM 0 HE ARG A 93 9.140 10.459 4.066 1.00 0.00 H new ATOM 0 HH11 ARG A 93 8.712 13.749 2.861 1.00 0.00 H new ATOM 0 HH12 ARG A 93 10.269 14.305 3.486 1.00 0.00 H new ATOM 0 HH21 ARG A 93 11.138 11.179 4.867 1.00 0.00 H new ATOM 0 HH22 ARG A 93 11.637 12.855 4.617 1.00 0.00 H new