USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 555 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 46 CYS SG : rot 82:sc= 0.0956 USER MOD Set 1.2: A 78 GLN : amide:sc= -0.226 X(o=-0.13,f=0.19) USER MOD Set 2.1: A 29 ASN : amide:sc= -2.84! K(o=-2.8!,f=-1.6) USER MOD Set 2.2: A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HE2:sc= -5.26 K(o=-5.3,f=-7) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0296) USER MOD Single : A 41 SER OG : rot 80:sc= 0.0214 USER MOD Single : A 43 MET CE :methyl 178:sc= -0.0333 (180deg=-0.0409) USER MOD Single : A 50 HIS : no HD1:sc= -2.12 K(o=-2.1,f=-0.39) USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=-0.002) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -0.0328 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 146:sc= 0 (180deg=-1.18) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HD1:sc=-0.000659 X(o=-0.00066,f=-0.13) USER MOD Single : A 86 LYS NZ :NH3+ -126:sc= -0.266 (180deg=-3.71!) USER MOD ----------------------------------------------------------------- ATOM 190 N ILE A 16 5.652 13.200 4.500 1.00 0.00 N ATOM 191 CA ILE A 16 5.159 11.829 4.486 1.00 0.00 C ATOM 192 C ILE A 16 3.661 11.788 4.197 1.00 0.00 C ATOM 193 O ILE A 16 2.894 12.588 4.732 1.00 0.00 O ATOM 194 CB ILE A 16 5.432 11.118 5.824 1.00 0.00 C ATOM 195 CG1 ILE A 16 6.939 10.982 6.055 1.00 0.00 C ATOM 196 CG2 ILE A 16 4.762 9.751 5.844 1.00 0.00 C ATOM 197 CD1 ILE A 16 7.709 10.601 4.810 1.00 0.00 C ATOM 0 HA ILE A 16 5.695 11.308 3.693 1.00 0.00 H new ATOM 0 HB ILE A 16 5.012 11.719 6.631 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.326 11.926 6.437 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.114 10.231 6.825 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.964 9.261 6.796 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.686 9.871 5.719 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.156 9.141 5.031 1.00 0.00 H new ATOM 0 HD11 ILE A 16 8.770 10.523 5.048 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.349 9.642 4.439 1.00 0.00 H new ATOM 0 HD13 ILE A 16 7.564 11.364 4.045 1.00 0.00 H new ATOM 209 N ALA A 17 3.253 10.849 3.351 1.00 0.00 N ATOM 210 CA ALA A 17 1.847 10.701 2.995 1.00 0.00 C ATOM 211 C ALA A 17 1.345 9.297 3.316 1.00 0.00 C ATOM 212 O ALA A 17 1.755 8.322 2.686 1.00 0.00 O ATOM 213 CB ALA A 17 1.641 11.013 1.520 1.00 0.00 C ATOM 0 H ALA A 17 3.876 10.179 2.899 1.00 0.00 H new ATOM 0 HA ALA A 17 1.270 11.410 3.589 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.587 10.899 1.268 1.00 0.00 H new ATOM 0 HB2 ALA A 17 1.953 12.037 1.318 1.00 0.00 H new ATOM 0 HB3 ALA A 17 2.235 10.327 0.917 1.00 0.00 H new ATOM 219 N GLU A 18 0.456 9.201 4.300 1.00 0.00 N ATOM 220 CA GLU A 18 -0.100 7.915 4.704 1.00 0.00 C ATOM 221 C GLU A 18 -1.341 7.576 3.882 1.00 0.00 C ATOM 222 O GLU A 18 -2.366 8.250 3.979 1.00 0.00 O ATOM 223 CB GLU A 18 -0.451 7.933 6.194 1.00 0.00 C ATOM 224 CG GLU A 18 -0.625 6.547 6.794 1.00 0.00 C ATOM 225 CD GLU A 18 -1.612 6.530 7.945 1.00 0.00 C ATOM 226 OE1 GLU A 18 -2.823 6.369 7.688 1.00 0.00 O ATOM 227 OE2 GLU A 18 -1.171 6.678 9.105 1.00 0.00 O ATOM 0 H GLU A 18 0.106 9.998 4.832 1.00 0.00 H new ATOM 0 HA GLU A 18 0.654 7.149 4.524 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.334 8.459 6.737 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.372 8.499 6.335 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.964 5.860 6.019 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.341 6.182 7.143 1.00 0.00 H new ATOM 234 N VAL A 19 -1.237 6.527 3.073 1.00 0.00 N ATOM 235 CA VAL A 19 -2.350 6.097 2.235 1.00 0.00 C ATOM 236 C VAL A 19 -2.767 4.668 2.565 1.00 0.00 C ATOM 237 O VAL A 19 -1.923 3.788 2.732 1.00 0.00 O ATOM 238 CB VAL A 19 -1.991 6.182 0.739 1.00 0.00 C ATOM 239 CG1 VAL A 19 -3.049 5.488 -0.105 1.00 0.00 C ATOM 240 CG2 VAL A 19 -1.824 7.633 0.313 1.00 0.00 C ATOM 0 H VAL A 19 -0.394 5.960 2.980 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.181 6.772 2.442 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.042 5.669 0.581 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.778 5.559 -1.158 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.114 4.439 0.183 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.014 5.969 0.054 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.571 7.674 -0.746 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.756 8.172 0.485 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.026 8.094 0.895 1.00 0.00 H new ATOM 250 N GLU A 20 -4.074 4.446 2.658 1.00 0.00 N ATOM 251 CA GLU A 20 -4.603 3.123 2.968 1.00 0.00 C ATOM 252 C GLU A 20 -5.332 2.532 1.764 1.00 0.00 C ATOM 253 O GLU A 20 -5.722 3.252 0.845 1.00 0.00 O ATOM 254 CB GLU A 20 -5.552 3.198 4.166 1.00 0.00 C ATOM 255 CG GLU A 20 -4.893 3.713 5.434 1.00 0.00 C ATOM 256 CD GLU A 20 -4.809 5.226 5.475 1.00 0.00 C ATOM 257 OE1 GLU A 20 -5.842 5.871 5.748 1.00 0.00 O ATOM 258 OE2 GLU A 20 -3.708 5.766 5.232 1.00 0.00 O ATOM 0 H GLU A 20 -4.786 5.164 2.523 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.764 2.473 3.217 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.391 3.846 3.914 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.962 2.206 4.357 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.454 3.361 6.299 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.889 3.295 5.513 1.00 0.00 H new ATOM 265 N VAL A 21 -5.512 1.214 1.778 1.00 0.00 N ATOM 266 CA VAL A 21 -6.193 0.525 0.689 1.00 0.00 C ATOM 267 C VAL A 21 -7.096 -0.583 1.220 1.00 0.00 C ATOM 268 O VAL A 21 -6.960 -1.014 2.365 1.00 0.00 O ATOM 269 CB VAL A 21 -5.187 -0.080 -0.309 1.00 0.00 C ATOM 270 CG1 VAL A 21 -4.351 -1.158 0.363 1.00 0.00 C ATOM 271 CG2 VAL A 21 -5.913 -0.637 -1.524 1.00 0.00 C ATOM 0 H VAL A 21 -5.196 0.603 2.531 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.801 1.269 0.174 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.515 0.710 -0.646 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.646 -1.574 -0.357 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.802 -0.724 1.199 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.005 -1.950 0.730 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.188 -1.060 -2.219 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.609 -1.414 -1.208 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.464 0.164 -2.018 1.00 0.00 H new ATOM 281 N SER A 22 -8.017 -1.042 0.379 1.00 0.00 N ATOM 282 CA SER A 22 -8.945 -2.098 0.764 1.00 0.00 C ATOM 283 C SER A 22 -8.503 -3.444 0.195 1.00 0.00 C ATOM 284 O SER A 22 -8.632 -3.695 -1.004 1.00 0.00 O ATOM 285 CB SER A 22 -10.358 -1.767 0.280 1.00 0.00 C ATOM 286 OG SER A 22 -11.293 -2.728 0.739 1.00 0.00 O ATOM 0 H SER A 22 -8.140 -0.699 -0.574 1.00 0.00 H new ATOM 0 HA SER A 22 -8.948 -2.166 1.852 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.645 -0.777 0.635 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.374 -1.731 -0.809 1.00 0.00 H new ATOM 0 HG SER A 22 -12.188 -2.493 0.417 1.00 0.00 H new ATOM 292 N ILE A 23 -7.982 -4.304 1.063 1.00 0.00 N ATOM 293 CA ILE A 23 -7.522 -5.622 0.649 1.00 0.00 C ATOM 294 C ILE A 23 -7.827 -6.671 1.714 1.00 0.00 C ATOM 295 O ILE A 23 -7.666 -6.439 2.912 1.00 0.00 O ATOM 296 CB ILE A 23 -6.010 -5.626 0.360 1.00 0.00 C ATOM 297 CG1 ILE A 23 -5.681 -4.642 -0.765 1.00 0.00 C ATOM 298 CG2 ILE A 23 -5.543 -7.028 -0.004 1.00 0.00 C ATOM 299 CD1 ILE A 23 -4.200 -4.518 -1.046 1.00 0.00 C ATOM 0 H ILE A 23 -7.868 -4.111 2.058 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.059 -5.870 -0.266 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.483 -5.310 1.260 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -6.190 -4.960 -1.675 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -6.077 -3.660 -0.505 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.472 -7.014 -0.205 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -5.748 -7.706 0.824 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.075 -7.369 -0.892 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.042 -3.804 -1.854 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.687 -4.170 -0.149 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.802 -5.490 -1.337 1.00 0.00 H new ATOM 311 N PRO A 24 -8.277 -7.854 1.268 1.00 0.00 N ATOM 312 CA PRO A 24 -8.611 -8.963 2.166 1.00 0.00 C ATOM 313 C PRO A 24 -7.377 -9.569 2.823 1.00 0.00 C ATOM 314 O PRO A 24 -6.289 -9.560 2.249 1.00 0.00 O ATOM 315 CB PRO A 24 -9.278 -9.981 1.239 1.00 0.00 C ATOM 316 CG PRO A 24 -8.724 -9.684 -0.111 1.00 0.00 C ATOM 317 CD PRO A 24 -8.493 -8.200 -0.147 1.00 0.00 C ATOM 0 HA PRO A 24 -9.243 -8.641 2.993 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -9.051 -11.002 1.544 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -10.363 -9.878 1.253 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.794 -10.228 -0.279 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.418 -9.990 -0.894 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.629 -7.943 -0.760 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.349 -7.670 -0.564 1.00 0.00 H new ATOM 325 N ALA A 25 -7.553 -10.096 4.030 1.00 0.00 N ATOM 326 CA ALA A 25 -6.453 -10.710 4.763 1.00 0.00 C ATOM 327 C ALA A 25 -5.962 -11.972 4.064 1.00 0.00 C ATOM 328 O ALA A 25 -4.781 -12.316 4.134 1.00 0.00 O ATOM 329 CB ALA A 25 -6.881 -11.028 6.189 1.00 0.00 C ATOM 0 H ALA A 25 -8.447 -10.110 4.521 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.628 -9.998 4.792 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.050 -11.486 6.725 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -7.175 -10.108 6.694 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.725 -11.718 6.170 1.00 0.00 H new ATOM 335 N LYS A 26 -6.875 -12.661 3.387 1.00 0.00 N ATOM 336 CA LYS A 26 -6.536 -13.886 2.672 1.00 0.00 C ATOM 337 C LYS A 26 -5.455 -13.625 1.628 1.00 0.00 C ATOM 338 O LYS A 26 -4.706 -14.529 1.255 1.00 0.00 O ATOM 339 CB LYS A 26 -7.780 -14.469 1.999 1.00 0.00 C ATOM 340 CG LYS A 26 -8.056 -13.888 0.623 1.00 0.00 C ATOM 341 CD LYS A 26 -9.526 -14.000 0.256 1.00 0.00 C ATOM 342 CE LYS A 26 -9.825 -13.307 -1.064 1.00 0.00 C ATOM 343 NZ LYS A 26 -11.137 -13.729 -1.629 1.00 0.00 N ATOM 0 H LYS A 26 -7.856 -12.391 3.319 1.00 0.00 H new ATOM 0 HA LYS A 26 -6.152 -14.605 3.396 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -7.663 -15.549 1.911 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -8.645 -14.293 2.639 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -7.753 -12.841 0.602 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -7.453 -14.409 -0.121 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.806 -15.051 0.188 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.134 -13.559 1.046 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.824 -12.227 -0.915 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -9.033 -13.531 -1.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -11.303 -13.234 -2.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.129 -14.756 -1.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -11.896 -13.492 -0.958 1.00 0.00 H new ATOM 357 N LEU A 27 -5.378 -12.384 1.161 1.00 0.00 N ATOM 358 CA LEU A 27 -4.386 -12.003 0.160 1.00 0.00 C ATOM 359 C LEU A 27 -3.121 -11.469 0.823 1.00 0.00 C ATOM 360 O LEU A 27 -2.010 -11.714 0.351 1.00 0.00 O ATOM 361 CB LEU A 27 -4.966 -10.947 -0.784 1.00 0.00 C ATOM 362 CG LEU A 27 -6.003 -11.445 -1.791 1.00 0.00 C ATOM 363 CD1 LEU A 27 -6.430 -10.317 -2.719 1.00 0.00 C ATOM 364 CD2 LEU A 27 -5.451 -12.616 -2.592 1.00 0.00 C ATOM 0 H LEU A 27 -5.990 -11.624 1.459 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.125 -12.892 -0.415 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.422 -10.161 -0.182 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.144 -10.490 -1.335 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.879 -11.788 -1.241 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.168 -10.690 -3.429 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.867 -9.509 -2.132 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.561 -9.944 -3.261 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.203 -12.957 -3.303 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.558 -12.299 -3.131 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.196 -13.432 -1.915 1.00 0.00 H new ATOM 376 N HIS A 28 -3.296 -10.740 1.920 1.00 0.00 N ATOM 377 CA HIS A 28 -2.167 -10.174 2.650 1.00 0.00 C ATOM 378 C HIS A 28 -1.048 -11.200 2.799 1.00 0.00 C ATOM 379 O HIS A 28 0.020 -11.058 2.205 1.00 0.00 O ATOM 380 CB HIS A 28 -2.616 -9.686 4.028 1.00 0.00 C ATOM 381 CG HIS A 28 -3.608 -8.566 3.973 1.00 0.00 C ATOM 382 ND1 HIS A 28 -4.129 -7.966 5.100 1.00 0.00 N ATOM 383 CD2 HIS A 28 -4.174 -7.936 2.918 1.00 0.00 C ATOM 384 CE1 HIS A 28 -4.973 -7.017 4.740 1.00 0.00 C ATOM 385 NE2 HIS A 28 -5.019 -6.977 3.421 1.00 0.00 N ATOM 0 H HIS A 28 -4.208 -10.527 2.323 1.00 0.00 H new ATOM 0 HA HIS A 28 -1.785 -9.327 2.080 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -3.053 -10.521 4.575 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -1.742 -9.359 4.591 1.00 0.00 H new ATOM 0 HD1 HIS A 28 -3.898 -8.216 6.062 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -3.995 -8.148 1.874 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -5.531 -6.381 5.411 1.00 0.00 H new ATOM 393 N ASN A 29 -1.300 -12.232 3.598 1.00 0.00 N ATOM 394 CA ASN A 29 -0.312 -13.280 3.828 1.00 0.00 C ATOM 395 C ASN A 29 0.437 -13.612 2.540 1.00 0.00 C ATOM 396 O ASN A 29 1.663 -13.726 2.535 1.00 0.00 O ATOM 397 CB ASN A 29 -0.991 -14.538 4.375 1.00 0.00 C ATOM 398 CG ASN A 29 -1.463 -15.466 3.272 1.00 0.00 C ATOM 399 OD1 ASN A 29 -2.650 -15.511 2.951 1.00 0.00 O ATOM 400 ND2 ASN A 29 -0.533 -16.213 2.689 1.00 0.00 N ATOM 0 H ASN A 29 -2.180 -12.365 4.097 1.00 0.00 H new ATOM 0 HA ASN A 29 0.406 -12.914 4.562 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -0.294 -15.072 5.022 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -1.842 -14.249 4.992 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -0.791 -16.858 1.942 1.00 0.00 H new ATOM 0 HD22 ASN A 29 0.440 -16.142 2.988 1.00 0.00 H new ATOM 407 N SER A 30 -0.309 -13.767 1.451 1.00 0.00 N ATOM 408 CA SER A 30 0.283 -14.089 0.158 1.00 0.00 C ATOM 409 C SER A 30 1.226 -12.980 -0.298 1.00 0.00 C ATOM 410 O SER A 30 2.385 -13.232 -0.631 1.00 0.00 O ATOM 411 CB SER A 30 -0.811 -14.307 -0.888 1.00 0.00 C ATOM 412 OG SER A 30 -1.659 -15.382 -0.524 1.00 0.00 O ATOM 0 H SER A 30 -1.325 -13.675 1.438 1.00 0.00 H new ATOM 0 HA SER A 30 0.858 -15.009 0.268 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.400 -13.396 -0.998 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.356 -14.511 -1.857 1.00 0.00 H new ATOM 0 HG SER A 30 -2.351 -15.499 -1.208 1.00 0.00 H new ATOM 418 N LEU A 31 0.722 -11.752 -0.312 1.00 0.00 N ATOM 419 CA LEU A 31 1.518 -10.602 -0.728 1.00 0.00 C ATOM 420 C LEU A 31 2.796 -10.498 0.098 1.00 0.00 C ATOM 421 O LEU A 31 3.890 -10.346 -0.448 1.00 0.00 O ATOM 422 CB LEU A 31 0.703 -9.316 -0.591 1.00 0.00 C ATOM 423 CG LEU A 31 -0.118 -8.908 -1.816 1.00 0.00 C ATOM 424 CD1 LEU A 31 -1.349 -8.119 -1.396 1.00 0.00 C ATOM 425 CD2 LEU A 31 0.733 -8.097 -2.782 1.00 0.00 C ATOM 0 H LEU A 31 -0.235 -11.526 -0.040 1.00 0.00 H new ATOM 0 HA LEU A 31 1.793 -10.740 -1.774 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.025 -9.428 0.255 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.385 -8.501 -0.348 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.449 -9.813 -2.325 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.920 -7.838 -2.281 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.970 -8.733 -0.744 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.040 -7.220 -0.862 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.133 -7.815 -3.647 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.094 -7.198 -2.282 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.583 -8.696 -3.109 1.00 0.00 H new ATOM 437 N ILE A 32 2.652 -10.582 1.417 1.00 0.00 N ATOM 438 CA ILE A 32 3.794 -10.500 2.317 1.00 0.00 C ATOM 439 C ILE A 32 4.832 -11.566 1.986 1.00 0.00 C ATOM 440 O ILE A 32 6.025 -11.278 1.889 1.00 0.00 O ATOM 441 CB ILE A 32 3.364 -10.656 3.787 1.00 0.00 C ATOM 442 CG1 ILE A 32 2.291 -9.625 4.141 1.00 0.00 C ATOM 443 CG2 ILE A 32 4.567 -10.514 4.709 1.00 0.00 C ATOM 444 CD1 ILE A 32 1.455 -10.010 5.342 1.00 0.00 C ATOM 0 H ILE A 32 1.754 -10.707 1.885 1.00 0.00 H new ATOM 0 HA ILE A 32 4.235 -9.513 2.179 1.00 0.00 H new ATOM 0 HB ILE A 32 2.942 -11.652 3.922 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.771 -8.666 4.335 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.635 -9.486 3.282 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.247 -10.627 5.745 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.301 -11.284 4.470 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.016 -9.530 4.573 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.715 -9.233 5.535 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.947 -10.954 5.144 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.100 -10.121 6.214 1.00 0.00 H new ATOM 456 N GLY A 33 4.371 -12.800 1.811 1.00 0.00 N ATOM 457 CA GLY A 33 5.271 -13.892 1.491 1.00 0.00 C ATOM 458 C GLY A 33 5.662 -14.699 2.713 1.00 0.00 C ATOM 459 O GLY A 33 5.193 -14.431 3.820 1.00 0.00 O ATOM 0 H GLY A 33 3.388 -13.063 1.885 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.795 -14.549 0.763 1.00 0.00 H new ATOM 0 HA3 GLY A 33 6.169 -13.492 1.021 1.00 0.00 H new ATOM 463 N THR A 34 6.521 -15.694 2.514 1.00 0.00 N ATOM 464 CA THR A 34 6.972 -16.545 3.608 1.00 0.00 C ATOM 465 C THR A 34 8.027 -15.841 4.454 1.00 0.00 C ATOM 466 O THR A 34 8.044 -15.971 5.678 1.00 0.00 O ATOM 467 CB THR A 34 7.553 -17.872 3.084 1.00 0.00 C ATOM 468 OG1 THR A 34 7.578 -18.845 4.134 1.00 0.00 O ATOM 469 CG2 THR A 34 8.959 -17.670 2.539 1.00 0.00 C ATOM 0 H THR A 34 6.918 -15.930 1.605 1.00 0.00 H new ATOM 0 HA THR A 34 6.098 -16.757 4.224 1.00 0.00 H new ATOM 0 HB THR A 34 6.915 -18.228 2.275 1.00 0.00 H new ATOM 0 HG1 THR A 34 7.947 -19.686 3.792 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.348 -18.621 2.175 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.932 -16.951 1.720 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.606 -17.293 3.331 1.00 0.00 H new ATOM 477 N LYS A 35 8.906 -15.094 3.794 1.00 0.00 N ATOM 478 CA LYS A 35 9.964 -14.366 4.486 1.00 0.00 C ATOM 479 C LYS A 35 9.876 -12.872 4.194 1.00 0.00 C ATOM 480 O LYS A 35 10.895 -12.189 4.092 1.00 0.00 O ATOM 481 CB LYS A 35 11.336 -14.900 4.066 1.00 0.00 C ATOM 482 CG LYS A 35 12.393 -14.777 5.150 1.00 0.00 C ATOM 483 CD LYS A 35 12.432 -16.014 6.033 1.00 0.00 C ATOM 484 CE LYS A 35 12.898 -15.677 7.441 1.00 0.00 C ATOM 485 NZ LYS A 35 14.275 -15.111 7.448 1.00 0.00 N ATOM 0 H LYS A 35 8.907 -14.977 2.781 1.00 0.00 H new ATOM 0 HA LYS A 35 9.835 -14.516 5.558 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.238 -15.948 3.783 1.00 0.00 H new ATOM 0 HB3 LYS A 35 11.671 -14.361 3.180 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.370 -14.625 4.691 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.188 -13.898 5.762 1.00 0.00 H new ATOM 0 HD2 LYS A 35 11.440 -16.465 6.075 1.00 0.00 H new ATOM 0 HD3 LYS A 35 13.101 -16.755 5.595 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.209 -14.962 7.890 1.00 0.00 H new ATOM 0 HE3 LYS A 35 12.871 -16.576 8.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 14.602 -15.005 8.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 14.916 -15.751 6.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 14.270 -14.181 6.982 1.00 0.00 H new ATOM 499 N GLY A 36 8.652 -12.370 4.062 1.00 0.00 N ATOM 500 CA GLY A 36 8.455 -10.959 3.785 1.00 0.00 C ATOM 501 C GLY A 36 9.336 -10.461 2.655 1.00 0.00 C ATOM 502 O GLY A 36 9.974 -9.416 2.771 1.00 0.00 O ATOM 0 H GLY A 36 7.794 -12.915 4.142 1.00 0.00 H new ATOM 0 HA2 GLY A 36 7.410 -10.784 3.530 1.00 0.00 H new ATOM 0 HA3 GLY A 36 8.664 -10.382 4.686 1.00 0.00 H new ATOM 506 N ARG A 37 9.370 -11.213 1.560 1.00 0.00 N ATOM 507 CA ARG A 37 10.181 -10.844 0.405 1.00 0.00 C ATOM 508 C ARG A 37 9.337 -10.126 -0.644 1.00 0.00 C ATOM 509 O ARG A 37 9.698 -9.045 -1.113 1.00 0.00 O ATOM 510 CB ARG A 37 10.829 -12.087 -0.207 1.00 0.00 C ATOM 511 CG ARG A 37 11.550 -12.960 0.805 1.00 0.00 C ATOM 512 CD ARG A 37 12.689 -13.735 0.161 1.00 0.00 C ATOM 513 NE ARG A 37 12.980 -14.975 0.875 1.00 0.00 N ATOM 514 CZ ARG A 37 12.125 -15.988 0.967 1.00 0.00 C ATOM 515 NH1 ARG A 37 10.932 -15.907 0.395 1.00 0.00 N ATOM 516 NH2 ARG A 37 12.462 -17.084 1.634 1.00 0.00 N ATOM 0 H ARG A 37 8.846 -12.081 1.448 1.00 0.00 H new ATOM 0 HA ARG A 37 10.964 -10.165 0.743 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.060 -12.680 -0.703 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.537 -11.776 -0.975 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.941 -12.338 1.610 1.00 0.00 H new ATOM 0 HG3 ARG A 37 10.843 -13.657 1.255 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.432 -13.964 -0.873 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.583 -13.112 0.137 1.00 0.00 H new ATOM 0 HE ARG A 37 13.889 -15.069 1.328 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.668 -15.065 -0.117 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.278 -16.686 0.467 1.00 0.00 H new ATOM 0 HH21 ARG A 37 13.378 -17.150 2.077 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.805 -17.861 1.704 1.00 0.00 H new ATOM 530 N LEU A 38 8.215 -10.733 -1.009 1.00 0.00 N ATOM 531 CA LEU A 38 7.319 -10.154 -2.004 1.00 0.00 C ATOM 532 C LEU A 38 6.986 -8.706 -1.658 1.00 0.00 C ATOM 533 O LEU A 38 6.670 -7.904 -2.538 1.00 0.00 O ATOM 534 CB LEU A 38 6.033 -10.975 -2.102 1.00 0.00 C ATOM 535 CG LEU A 38 6.080 -12.188 -3.032 1.00 0.00 C ATOM 536 CD1 LEU A 38 5.014 -13.201 -2.644 1.00 0.00 C ATOM 537 CD2 LEU A 38 5.904 -11.755 -4.481 1.00 0.00 C ATOM 0 H LEU A 38 7.903 -11.627 -0.631 1.00 0.00 H new ATOM 0 HA LEU A 38 7.827 -10.171 -2.968 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.768 -11.319 -1.102 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.230 -10.317 -2.436 1.00 0.00 H new ATOM 0 HG LEU A 38 7.056 -12.662 -2.930 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.063 -14.057 -3.317 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.184 -13.534 -1.620 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.029 -12.739 -2.716 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.940 -12.631 -5.129 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.942 -11.257 -4.597 1.00 0.00 H new ATOM 0 HD23 LEU A 38 6.704 -11.067 -4.755 1.00 0.00 H new ATOM 549 N ILE A 39 7.060 -8.377 -0.373 1.00 0.00 N ATOM 550 CA ILE A 39 6.770 -7.026 0.088 1.00 0.00 C ATOM 551 C ILE A 39 8.052 -6.223 0.279 1.00 0.00 C ATOM 552 O ILE A 39 8.122 -5.049 -0.087 1.00 0.00 O ATOM 553 CB ILE A 39 5.985 -7.039 1.414 1.00 0.00 C ATOM 554 CG1 ILE A 39 4.515 -7.381 1.157 1.00 0.00 C ATOM 555 CG2 ILE A 39 6.108 -5.695 2.115 1.00 0.00 C ATOM 556 CD1 ILE A 39 3.781 -6.326 0.360 1.00 0.00 C ATOM 0 H ILE A 39 7.319 -9.029 0.368 1.00 0.00 H new ATOM 0 HA ILE A 39 6.159 -6.555 -0.682 1.00 0.00 H new ATOM 0 HB ILE A 39 6.409 -7.805 2.064 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.459 -8.331 0.626 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.010 -7.520 2.113 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.548 -5.720 3.050 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.157 -5.489 2.326 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.707 -4.911 1.472 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.745 -6.634 0.216 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.806 -5.379 0.900 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.262 -6.203 -0.611 1.00 0.00 H new ATOM 568 N ARG A 40 9.065 -6.863 0.853 1.00 0.00 N ATOM 569 CA ARG A 40 10.346 -6.209 1.090 1.00 0.00 C ATOM 570 C ARG A 40 10.917 -5.643 -0.207 1.00 0.00 C ATOM 571 O ARG A 40 11.347 -4.491 -0.257 1.00 0.00 O ATOM 572 CB ARG A 40 11.339 -7.193 1.711 1.00 0.00 C ATOM 573 CG ARG A 40 11.298 -7.225 3.230 1.00 0.00 C ATOM 574 CD ARG A 40 12.105 -6.087 3.833 1.00 0.00 C ATOM 575 NE ARG A 40 13.512 -6.439 3.994 1.00 0.00 N ATOM 576 CZ ARG A 40 14.410 -5.639 4.558 1.00 0.00 C ATOM 577 NH1 ARG A 40 14.049 -4.447 5.013 1.00 0.00 N ATOM 578 NH2 ARG A 40 15.674 -6.030 4.669 1.00 0.00 N ATOM 0 H ARG A 40 9.023 -7.834 1.163 1.00 0.00 H new ATOM 0 HA ARG A 40 10.181 -5.385 1.784 1.00 0.00 H new ATOM 0 HB2 ARG A 40 11.133 -8.193 1.330 1.00 0.00 H new ATOM 0 HB3 ARG A 40 12.347 -6.931 1.389 1.00 0.00 H new ATOM 0 HG2 ARG A 40 10.264 -7.159 3.569 1.00 0.00 H new ATOM 0 HG3 ARG A 40 11.689 -8.178 3.586 1.00 0.00 H new ATOM 0 HD2 ARG A 40 12.022 -5.207 3.196 1.00 0.00 H new ATOM 0 HD3 ARG A 40 11.685 -5.819 4.803 1.00 0.00 H new ATOM 0 HE ARG A 40 13.823 -7.349 3.655 1.00 0.00 H new ATOM 0 HH11 ARG A 40 13.079 -4.142 4.930 1.00 0.00 H new ATOM 0 HH12 ARG A 40 14.741 -3.835 5.446 1.00 0.00 H new ATOM 0 HH21 ARG A 40 15.957 -6.946 4.321 1.00 0.00 H new ATOM 0 HH22 ARG A 40 16.362 -5.414 5.102 1.00 0.00 H new ATOM 592 N SER A 41 10.919 -6.462 -1.252 1.00 0.00 N ATOM 593 CA SER A 41 11.442 -6.045 -2.549 1.00 0.00 C ATOM 594 C SER A 41 10.724 -4.794 -3.046 1.00 0.00 C ATOM 595 O SER A 41 11.361 -3.823 -3.456 1.00 0.00 O ATOM 596 CB SER A 41 11.290 -7.174 -3.571 1.00 0.00 C ATOM 597 OG SER A 41 12.039 -8.314 -3.186 1.00 0.00 O ATOM 0 H SER A 41 10.565 -7.418 -1.228 1.00 0.00 H new ATOM 0 HA SER A 41 12.500 -5.813 -2.430 1.00 0.00 H new ATOM 0 HB2 SER A 41 10.238 -7.442 -3.668 1.00 0.00 H new ATOM 0 HB3 SER A 41 11.623 -6.830 -4.550 1.00 0.00 H new ATOM 0 HG SER A 41 11.545 -8.815 -2.504 1.00 0.00 H new ATOM 603 N ILE A 42 9.397 -4.826 -3.008 1.00 0.00 N ATOM 604 CA ILE A 42 8.592 -3.695 -3.454 1.00 0.00 C ATOM 605 C ILE A 42 8.935 -2.433 -2.669 1.00 0.00 C ATOM 606 O ILE A 42 9.086 -1.355 -3.241 1.00 0.00 O ATOM 607 CB ILE A 42 7.087 -3.983 -3.309 1.00 0.00 C ATOM 608 CG1 ILE A 42 6.677 -5.144 -4.218 1.00 0.00 C ATOM 609 CG2 ILE A 42 6.276 -2.738 -3.634 1.00 0.00 C ATOM 610 CD1 ILE A 42 5.260 -5.620 -3.990 1.00 0.00 C ATOM 0 H ILE A 42 8.856 -5.623 -2.673 1.00 0.00 H new ATOM 0 HA ILE A 42 8.823 -3.539 -4.508 1.00 0.00 H new ATOM 0 HB ILE A 42 6.885 -4.266 -2.276 1.00 0.00 H new ATOM 0 HG12 ILE A 42 6.785 -4.836 -5.258 1.00 0.00 H new ATOM 0 HG13 ILE A 42 7.361 -5.978 -4.060 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.214 -2.958 -3.527 1.00 0.00 H new ATOM 0 HG22 ILE A 42 6.551 -1.935 -2.950 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.481 -2.427 -4.659 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.039 -6.444 -4.669 1.00 0.00 H new ATOM 0 HD12 ILE A 42 5.152 -5.960 -2.960 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.566 -4.800 -4.177 1.00 0.00 H new ATOM 622 N MET A 43 9.057 -2.577 -1.353 1.00 0.00 N ATOM 623 CA MET A 43 9.386 -1.449 -0.488 1.00 0.00 C ATOM 624 C MET A 43 10.682 -0.781 -0.935 1.00 0.00 C ATOM 625 O MET A 43 10.813 0.441 -0.874 1.00 0.00 O ATOM 626 CB MET A 43 9.511 -1.912 0.964 1.00 0.00 C ATOM 627 CG MET A 43 8.184 -2.298 1.596 1.00 0.00 C ATOM 628 SD MET A 43 8.191 -2.122 3.390 1.00 0.00 S ATOM 629 CE MET A 43 9.423 -3.340 3.845 1.00 0.00 C ATOM 0 H MET A 43 8.933 -3.463 -0.863 1.00 0.00 H new ATOM 0 HA MET A 43 8.579 -0.720 -0.561 1.00 0.00 H new ATOM 0 HB2 MET A 43 10.187 -2.766 1.007 1.00 0.00 H new ATOM 0 HB3 MET A 43 9.966 -1.116 1.553 1.00 0.00 H new ATOM 0 HG2 MET A 43 7.392 -1.677 1.177 1.00 0.00 H new ATOM 0 HG3 MET A 43 7.950 -3.331 1.337 1.00 0.00 H new ATOM 0 HE1 MET A 43 9.567 -3.326 4.925 1.00 0.00 H new ATOM 0 HE2 MET A 43 9.087 -4.330 3.537 1.00 0.00 H new ATOM 0 HE3 MET A 43 10.366 -3.106 3.350 1.00 0.00 H new ATOM 639 N GLU A 44 11.637 -1.591 -1.384 1.00 0.00 N ATOM 640 CA GLU A 44 12.923 -1.077 -1.839 1.00 0.00 C ATOM 641 C GLU A 44 12.822 -0.546 -3.266 1.00 0.00 C ATOM 642 O GLU A 44 13.050 0.636 -3.517 1.00 0.00 O ATOM 643 CB GLU A 44 13.990 -2.169 -1.763 1.00 0.00 C ATOM 644 CG GLU A 44 15.409 -1.646 -1.908 1.00 0.00 C ATOM 645 CD GLU A 44 16.454 -2.710 -1.633 1.00 0.00 C ATOM 646 OE1 GLU A 44 16.153 -3.905 -1.833 1.00 0.00 O ATOM 647 OE2 GLU A 44 17.574 -2.346 -1.217 1.00 0.00 O ATOM 0 H GLU A 44 11.544 -2.605 -1.442 1.00 0.00 H new ATOM 0 HA GLU A 44 13.209 -0.255 -1.183 1.00 0.00 H new ATOM 0 HB2 GLU A 44 13.899 -2.688 -0.809 1.00 0.00 H new ATOM 0 HB3 GLU A 44 13.801 -2.904 -2.545 1.00 0.00 H new ATOM 0 HG2 GLU A 44 15.548 -1.258 -2.917 1.00 0.00 H new ATOM 0 HG3 GLU A 44 15.556 -0.811 -1.222 1.00 0.00 H new ATOM 654 N GLU A 45 12.479 -1.431 -4.197 1.00 0.00 N ATOM 655 CA GLU A 45 12.349 -1.053 -5.599 1.00 0.00 C ATOM 656 C GLU A 45 11.686 0.315 -5.734 1.00 0.00 C ATOM 657 O GLU A 45 12.170 1.182 -6.464 1.00 0.00 O ATOM 658 CB GLU A 45 11.537 -2.102 -6.361 1.00 0.00 C ATOM 659 CG GLU A 45 12.251 -3.435 -6.507 1.00 0.00 C ATOM 660 CD GLU A 45 13.664 -3.285 -7.035 1.00 0.00 C ATOM 661 OE1 GLU A 45 14.554 -2.904 -6.246 1.00 0.00 O ATOM 662 OE2 GLU A 45 13.880 -3.550 -8.237 1.00 0.00 O ATOM 0 H GLU A 45 12.286 -2.414 -4.005 1.00 0.00 H new ATOM 0 HA GLU A 45 13.350 -0.997 -6.028 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.590 -2.261 -5.846 1.00 0.00 H new ATOM 0 HB3 GLU A 45 11.299 -1.716 -7.352 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.280 -3.935 -5.539 1.00 0.00 H new ATOM 0 HG3 GLU A 45 11.682 -4.076 -7.180 1.00 0.00 H new ATOM 669 N CYS A 46 10.577 0.501 -5.028 1.00 0.00 N ATOM 670 CA CYS A 46 9.846 1.762 -5.069 1.00 0.00 C ATOM 671 C CYS A 46 10.672 2.890 -4.462 1.00 0.00 C ATOM 672 O CYS A 46 10.629 4.027 -4.929 1.00 0.00 O ATOM 673 CB CYS A 46 8.515 1.630 -4.326 1.00 0.00 C ATOM 674 SG CYS A 46 7.408 0.376 -5.012 1.00 0.00 S ATOM 0 H CYS A 46 10.164 -0.206 -4.420 1.00 0.00 H new ATOM 0 HA CYS A 46 9.648 2.004 -6.113 1.00 0.00 H new ATOM 0 HB2 CYS A 46 8.716 1.390 -3.282 1.00 0.00 H new ATOM 0 HB3 CYS A 46 8.007 2.594 -4.339 1.00 0.00 H new ATOM 0 HG CYS A 46 7.754 -0.797 -4.570 1.00 0.00 H new ATOM 680 N GLY A 47 11.425 2.567 -3.414 1.00 0.00 N ATOM 681 CA GLY A 47 12.250 3.564 -2.757 1.00 0.00 C ATOM 682 C GLY A 47 12.604 3.177 -1.334 1.00 0.00 C ATOM 683 O GLY A 47 13.766 3.239 -0.938 1.00 0.00 O ATOM 0 H GLY A 47 11.478 1.633 -3.009 1.00 0.00 H new ATOM 0 HA2 GLY A 47 13.166 3.708 -3.330 1.00 0.00 H new ATOM 0 HA3 GLY A 47 11.725 4.519 -2.751 1.00 0.00 H new ATOM 687 N GLY A 48 11.597 2.778 -0.563 1.00 0.00 N ATOM 688 CA GLY A 48 11.828 2.389 0.816 1.00 0.00 C ATOM 689 C GLY A 48 10.678 2.768 1.727 1.00 0.00 C ATOM 690 O GLY A 48 10.889 3.287 2.823 1.00 0.00 O ATOM 0 H GLY A 48 10.626 2.717 -0.869 1.00 0.00 H new ATOM 0 HA2 GLY A 48 11.986 1.312 0.864 1.00 0.00 H new ATOM 0 HA3 GLY A 48 12.742 2.861 1.175 1.00 0.00 H new ATOM 694 N VAL A 49 9.455 2.510 1.272 1.00 0.00 N ATOM 695 CA VAL A 49 8.266 2.829 2.053 1.00 0.00 C ATOM 696 C VAL A 49 7.954 1.723 3.055 1.00 0.00 C ATOM 697 O VAL A 49 8.513 0.628 2.982 1.00 0.00 O ATOM 698 CB VAL A 49 7.040 3.046 1.146 1.00 0.00 C ATOM 699 CG1 VAL A 49 7.106 4.410 0.475 1.00 0.00 C ATOM 700 CG2 VAL A 49 6.942 1.937 0.109 1.00 0.00 C ATOM 0 H VAL A 49 9.262 2.081 0.367 1.00 0.00 H new ATOM 0 HA VAL A 49 8.479 3.753 2.591 1.00 0.00 H new ATOM 0 HB VAL A 49 6.143 3.015 1.764 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.232 4.545 -0.162 1.00 0.00 H new ATOM 0 HG12 VAL A 49 7.124 5.190 1.237 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.010 4.474 -0.131 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.070 2.106 -0.523 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.842 1.934 -0.507 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.844 0.975 0.613 1.00 0.00 H new ATOM 710 N HIS A 50 7.056 2.016 3.991 1.00 0.00 N ATOM 711 CA HIS A 50 6.668 1.046 5.008 1.00 0.00 C ATOM 712 C HIS A 50 5.210 0.632 4.835 1.00 0.00 C ATOM 713 O HIS A 50 4.338 1.473 4.618 1.00 0.00 O ATOM 714 CB HIS A 50 6.884 1.626 6.406 1.00 0.00 C ATOM 715 CG HIS A 50 8.297 2.050 6.668 1.00 0.00 C ATOM 716 ND1 HIS A 50 8.901 1.933 7.901 1.00 0.00 N ATOM 717 CD2 HIS A 50 9.226 2.590 5.844 1.00 0.00 C ATOM 718 CE1 HIS A 50 10.140 2.387 7.826 1.00 0.00 C ATOM 719 NE2 HIS A 50 10.362 2.790 6.588 1.00 0.00 N ATOM 0 H HIS A 50 6.584 2.917 4.066 1.00 0.00 H new ATOM 0 HA HIS A 50 7.295 0.162 4.890 1.00 0.00 H new ATOM 0 HB2 HIS A 50 6.225 2.484 6.540 1.00 0.00 H new ATOM 0 HB3 HIS A 50 6.593 0.882 7.148 1.00 0.00 H new ATOM 0 HD2 HIS A 50 9.097 2.820 4.797 1.00 0.00 H new ATOM 0 HE1 HIS A 50 10.850 2.422 8.639 1.00 0.00 H new ATOM 0 HE2 HIS A 50 11.236 3.186 6.241 1.00 0.00 H new ATOM 727 N ILE A 51 4.954 -0.669 4.932 1.00 0.00 N ATOM 728 CA ILE A 51 3.601 -1.193 4.787 1.00 0.00 C ATOM 729 C ILE A 51 3.163 -1.938 6.044 1.00 0.00 C ATOM 730 O ILE A 51 3.878 -2.807 6.544 1.00 0.00 O ATOM 731 CB ILE A 51 3.492 -2.140 3.577 1.00 0.00 C ATOM 732 CG1 ILE A 51 4.127 -1.500 2.342 1.00 0.00 C ATOM 733 CG2 ILE A 51 2.036 -2.490 3.309 1.00 0.00 C ATOM 734 CD1 ILE A 51 4.499 -2.499 1.268 1.00 0.00 C ATOM 0 H ILE A 51 5.665 -1.378 5.110 1.00 0.00 H new ATOM 0 HA ILE A 51 2.945 -0.337 4.628 1.00 0.00 H new ATOM 0 HB ILE A 51 4.031 -3.060 3.804 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.434 -0.770 1.924 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.021 -0.954 2.644 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.975 -3.160 2.451 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.613 -2.982 4.185 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.476 -1.579 3.099 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.944 -1.975 0.422 1.00 0.00 H new ATOM 0 HD12 ILE A 51 5.216 -3.215 1.670 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.605 -3.028 0.938 1.00 0.00 H new ATOM 746 N HIS A 52 1.982 -1.594 6.547 1.00 0.00 N ATOM 747 CA HIS A 52 1.447 -2.231 7.745 1.00 0.00 C ATOM 748 C HIS A 52 0.260 -3.126 7.399 1.00 0.00 C ATOM 749 O HIS A 52 -0.687 -2.691 6.742 1.00 0.00 O ATOM 750 CB HIS A 52 1.024 -1.175 8.766 1.00 0.00 C ATOM 751 CG HIS A 52 2.175 -0.549 9.493 1.00 0.00 C ATOM 752 ND1 HIS A 52 2.382 -0.703 10.846 1.00 0.00 N ATOM 753 CD2 HIS A 52 3.184 0.234 9.045 1.00 0.00 C ATOM 754 CE1 HIS A 52 3.469 -0.040 11.201 1.00 0.00 C ATOM 755 NE2 HIS A 52 3.975 0.538 10.126 1.00 0.00 N ATOM 0 H HIS A 52 1.377 -0.878 6.144 1.00 0.00 H new ATOM 0 HA HIS A 52 2.233 -2.849 8.179 1.00 0.00 H new ATOM 0 HB2 HIS A 52 0.459 -0.394 8.256 1.00 0.00 H new ATOM 0 HB3 HIS A 52 0.352 -1.632 9.492 1.00 0.00 H new ATOM 0 HD2 HIS A 52 3.338 0.559 8.027 1.00 0.00 H new ATOM 0 HE1 HIS A 52 3.875 0.019 12.200 1.00 0.00 H new ATOM 0 HE2 HIS A 52 4.815 1.115 10.103 1.00 0.00 H new ATOM 763 N PHE A 53 0.318 -4.376 7.844 1.00 0.00 N ATOM 764 CA PHE A 53 -0.752 -5.331 7.581 1.00 0.00 C ATOM 765 C PHE A 53 -1.426 -5.765 8.879 1.00 0.00 C ATOM 766 O PHE A 53 -0.772 -6.088 9.870 1.00 0.00 O ATOM 767 CB PHE A 53 -0.201 -6.556 6.847 1.00 0.00 C ATOM 768 CG PHE A 53 -0.156 -6.389 5.354 1.00 0.00 C ATOM 769 CD1 PHE A 53 -1.318 -6.453 4.603 1.00 0.00 C ATOM 770 CD2 PHE A 53 1.047 -6.169 4.704 1.00 0.00 C ATOM 771 CE1 PHE A 53 -1.280 -6.302 3.229 1.00 0.00 C ATOM 772 CE2 PHE A 53 1.092 -6.017 3.330 1.00 0.00 C ATOM 773 CZ PHE A 53 -0.074 -6.082 2.593 1.00 0.00 C ATOM 0 H PHE A 53 1.094 -4.752 8.388 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.495 -4.841 6.952 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.804 -6.767 7.212 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.816 -7.422 7.090 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.264 -6.623 5.096 1.00 0.00 H new ATOM 0 HD2 PHE A 53 1.961 -6.115 5.277 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.192 -6.356 2.654 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.037 -5.848 2.835 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.043 -5.961 1.520 1.00 0.00 H new ATOM 783 N PRO A 54 -2.768 -5.771 8.874 1.00 0.00 N ATOM 784 CA PRO A 54 -3.561 -6.162 10.043 1.00 0.00 C ATOM 785 C PRO A 54 -3.458 -7.655 10.342 1.00 0.00 C ATOM 786 O PRO A 54 -3.100 -8.448 9.472 1.00 0.00 O ATOM 787 CB PRO A 54 -4.992 -5.797 9.639 1.00 0.00 C ATOM 788 CG PRO A 54 -4.988 -5.838 8.149 1.00 0.00 C ATOM 789 CD PRO A 54 -3.612 -5.398 7.727 1.00 0.00 C ATOM 0 HA PRO A 54 -3.219 -5.666 10.951 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.712 -6.503 10.052 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -5.267 -4.809 10.007 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -5.205 -6.842 7.785 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.752 -5.178 7.738 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.293 -5.899 6.813 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.575 -4.326 7.532 1.00 0.00 H new ATOM 797 N VAL A 55 -3.773 -8.028 11.578 1.00 0.00 N ATOM 798 CA VAL A 55 -3.717 -9.426 11.990 1.00 0.00 C ATOM 799 C VAL A 55 -5.047 -10.128 11.738 1.00 0.00 C ATOM 800 O VAL A 55 -6.108 -9.605 12.074 1.00 0.00 O ATOM 801 CB VAL A 55 -3.355 -9.556 13.482 1.00 0.00 C ATOM 802 CG1 VAL A 55 -3.031 -11.002 13.829 1.00 0.00 C ATOM 803 CG2 VAL A 55 -2.190 -8.643 13.828 1.00 0.00 C ATOM 0 H VAL A 55 -4.069 -7.383 12.311 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.940 -9.902 11.391 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.216 -9.249 14.075 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.778 -11.074 14.887 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.897 -11.629 13.620 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.185 -11.339 13.230 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.948 -8.747 14.886 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.322 -8.917 13.228 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -2.464 -7.609 13.619 1.00 0.00 H new ATOM 813 N GLU A 56 -4.980 -11.315 11.145 1.00 0.00 N ATOM 814 CA GLU A 56 -6.179 -12.089 10.848 1.00 0.00 C ATOM 815 C GLU A 56 -7.102 -12.148 12.061 1.00 0.00 C ATOM 816 O GLU A 56 -8.320 -12.019 11.936 1.00 0.00 O ATOM 817 CB GLU A 56 -5.804 -13.506 10.408 1.00 0.00 C ATOM 818 CG GLU A 56 -4.885 -14.222 11.384 1.00 0.00 C ATOM 819 CD GLU A 56 -4.167 -15.399 10.752 1.00 0.00 C ATOM 820 OE1 GLU A 56 -4.818 -16.442 10.534 1.00 0.00 O ATOM 821 OE2 GLU A 56 -2.955 -15.277 10.476 1.00 0.00 O ATOM 0 H GLU A 56 -4.108 -11.762 10.861 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.708 -11.593 10.034 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.715 -14.092 10.283 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.319 -13.459 9.433 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.149 -13.516 11.769 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.468 -14.572 12.236 1.00 0.00 H new ATOM 828 N GLY A 57 -6.514 -12.346 13.237 1.00 0.00 N ATOM 829 CA GLY A 57 -7.298 -12.421 14.456 1.00 0.00 C ATOM 830 C GLY A 57 -8.227 -11.234 14.621 1.00 0.00 C ATOM 831 O GLY A 57 -9.443 -11.399 14.721 1.00 0.00 O ATOM 0 H GLY A 57 -5.508 -12.456 13.367 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.884 -13.340 14.451 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -6.627 -12.475 15.313 1.00 0.00 H new ATOM 835 N SER A 58 -7.654 -10.035 14.651 1.00 0.00 N ATOM 836 CA SER A 58 -8.439 -8.817 14.810 1.00 0.00 C ATOM 837 C SER A 58 -9.608 -8.792 13.831 1.00 0.00 C ATOM 838 O SER A 58 -10.755 -8.574 14.221 1.00 0.00 O ATOM 839 CB SER A 58 -7.556 -7.585 14.601 1.00 0.00 C ATOM 840 OG SER A 58 -6.867 -7.242 15.791 1.00 0.00 O ATOM 0 H SER A 58 -6.649 -9.881 14.567 1.00 0.00 H new ATOM 0 HA SER A 58 -8.838 -8.801 15.824 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.838 -7.780 13.805 1.00 0.00 H new ATOM 0 HB3 SER A 58 -8.170 -6.744 14.278 1.00 0.00 H new ATOM 0 HG SER A 58 -6.309 -6.453 15.630 1.00 0.00 H new ATOM 846 N GLY A 59 -9.308 -9.016 12.555 1.00 0.00 N ATOM 847 CA GLY A 59 -10.344 -9.014 11.539 1.00 0.00 C ATOM 848 C GLY A 59 -10.428 -7.694 10.798 1.00 0.00 C ATOM 849 O GLY A 59 -11.519 -7.176 10.561 1.00 0.00 O ATOM 0 H GLY A 59 -8.367 -9.199 12.207 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -10.151 -9.816 10.826 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -11.306 -9.227 12.005 1.00 0.00 H new ATOM 853 N SER A 60 -9.272 -7.148 10.432 1.00 0.00 N ATOM 854 CA SER A 60 -9.220 -5.877 9.719 1.00 0.00 C ATOM 855 C SER A 60 -8.656 -6.066 8.314 1.00 0.00 C ATOM 856 O SER A 60 -7.515 -6.494 8.143 1.00 0.00 O ATOM 857 CB SER A 60 -8.365 -4.870 10.492 1.00 0.00 C ATOM 858 OG SER A 60 -8.282 -3.636 9.800 1.00 0.00 O ATOM 0 H SER A 60 -8.360 -7.566 10.617 1.00 0.00 H new ATOM 0 HA SER A 60 -10.237 -5.493 9.636 1.00 0.00 H new ATOM 0 HB2 SER A 60 -8.793 -4.708 11.481 1.00 0.00 H new ATOM 0 HB3 SER A 60 -7.364 -5.276 10.640 1.00 0.00 H new ATOM 0 HG SER A 60 -7.732 -3.009 10.314 1.00 0.00 H new ATOM 864 N ASP A 61 -9.465 -5.744 7.311 1.00 0.00 N ATOM 865 CA ASP A 61 -9.049 -5.876 5.920 1.00 0.00 C ATOM 866 C ASP A 61 -8.537 -4.546 5.377 1.00 0.00 C ATOM 867 O ASP A 61 -8.755 -4.213 4.211 1.00 0.00 O ATOM 868 CB ASP A 61 -10.212 -6.378 5.062 1.00 0.00 C ATOM 869 CG ASP A 61 -11.021 -7.455 5.758 1.00 0.00 C ATOM 870 OD1 ASP A 61 -11.986 -7.106 6.470 1.00 0.00 O ATOM 871 OD2 ASP A 61 -10.690 -8.647 5.590 1.00 0.00 O ATOM 0 H ASP A 61 -10.413 -5.389 7.435 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.237 -6.602 5.877 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.864 -5.541 4.814 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -9.824 -6.770 4.122 1.00 0.00 H new ATOM 876 N THR A 62 -7.857 -3.787 6.230 1.00 0.00 N ATOM 877 CA THR A 62 -7.315 -2.491 5.836 1.00 0.00 C ATOM 878 C THR A 62 -5.798 -2.462 5.983 1.00 0.00 C ATOM 879 O THR A 62 -5.245 -3.031 6.924 1.00 0.00 O ATOM 880 CB THR A 62 -7.924 -1.351 6.674 1.00 0.00 C ATOM 881 OG1 THR A 62 -9.340 -1.297 6.472 1.00 0.00 O ATOM 882 CG2 THR A 62 -7.302 -0.014 6.301 1.00 0.00 C ATOM 0 H THR A 62 -7.668 -4.047 7.198 1.00 0.00 H new ATOM 0 HA THR A 62 -7.578 -2.342 4.789 1.00 0.00 H new ATOM 0 HB THR A 62 -7.715 -1.551 7.725 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.720 -0.571 7.010 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.748 0.776 6.906 1.00 0.00 H new ATOM 0 HG22 THR A 62 -6.228 -0.049 6.484 1.00 0.00 H new ATOM 0 HG23 THR A 62 -7.484 0.190 5.246 1.00 0.00 H new ATOM 890 N VAL A 63 -5.131 -1.793 5.049 1.00 0.00 N ATOM 891 CA VAL A 63 -3.677 -1.687 5.075 1.00 0.00 C ATOM 892 C VAL A 63 -3.232 -0.229 5.095 1.00 0.00 C ATOM 893 O VAL A 63 -3.795 0.613 4.393 1.00 0.00 O ATOM 894 CB VAL A 63 -3.041 -2.391 3.862 1.00 0.00 C ATOM 895 CG1 VAL A 63 -1.530 -2.208 3.871 1.00 0.00 C ATOM 896 CG2 VAL A 63 -3.408 -3.866 3.850 1.00 0.00 C ATOM 0 H VAL A 63 -5.574 -1.316 4.264 1.00 0.00 H new ATOM 0 HA VAL A 63 -3.340 -2.178 5.988 1.00 0.00 H new ATOM 0 HB VAL A 63 -3.433 -1.936 2.952 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.097 -2.712 3.007 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.292 -1.145 3.828 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.117 -2.636 4.785 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.950 -4.348 2.986 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.046 -4.338 4.763 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.491 -3.971 3.792 1.00 0.00 H new ATOM 906 N VAL A 64 -2.218 0.065 5.902 1.00 0.00 N ATOM 907 CA VAL A 64 -1.696 1.421 6.012 1.00 0.00 C ATOM 908 C VAL A 64 -0.252 1.496 5.529 1.00 0.00 C ATOM 909 O VAL A 64 0.609 0.750 5.998 1.00 0.00 O ATOM 910 CB VAL A 64 -1.767 1.935 7.462 1.00 0.00 C ATOM 911 CG1 VAL A 64 -1.227 3.354 7.554 1.00 0.00 C ATOM 912 CG2 VAL A 64 -3.196 1.864 7.982 1.00 0.00 C ATOM 0 H VAL A 64 -1.741 -0.619 6.490 1.00 0.00 H new ATOM 0 HA VAL A 64 -2.321 2.052 5.380 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.144 1.295 8.087 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.286 3.699 8.586 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.188 3.370 7.224 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -1.820 4.011 6.917 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -3.229 2.231 9.008 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -3.842 2.479 7.356 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.542 0.831 7.955 1.00 0.00 H new ATOM 922 N ILE A 65 0.006 2.398 4.590 1.00 0.00 N ATOM 923 CA ILE A 65 1.347 2.570 4.044 1.00 0.00 C ATOM 924 C ILE A 65 1.903 3.951 4.376 1.00 0.00 C ATOM 925 O ILE A 65 1.160 4.931 4.441 1.00 0.00 O ATOM 926 CB ILE A 65 1.362 2.377 2.516 1.00 0.00 C ATOM 927 CG1 ILE A 65 0.661 1.071 2.138 1.00 0.00 C ATOM 928 CG2 ILE A 65 2.792 2.386 1.995 1.00 0.00 C ATOM 929 CD1 ILE A 65 0.490 0.886 0.647 1.00 0.00 C ATOM 0 H ILE A 65 -0.695 3.022 4.191 1.00 0.00 H new ATOM 0 HA ILE A 65 1.975 1.807 4.505 1.00 0.00 H new ATOM 0 HB ILE A 65 0.822 3.204 2.055 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.233 0.233 2.537 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.319 1.043 2.614 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.786 2.249 0.914 1.00 0.00 H new ATOM 0 HG22 ILE A 65 3.261 3.339 2.237 1.00 0.00 H new ATOM 0 HG23 ILE A 65 3.354 1.576 2.461 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -0.014 -0.061 0.453 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -0.108 1.704 0.245 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.468 0.881 0.166 1.00 0.00 H new ATOM 941 N ARG A 66 3.214 4.021 4.584 1.00 0.00 N ATOM 942 CA ARG A 66 3.869 5.282 4.908 1.00 0.00 C ATOM 943 C ARG A 66 5.018 5.562 3.944 1.00 0.00 C ATOM 944 O ARG A 66 5.652 4.638 3.433 1.00 0.00 O ATOM 945 CB ARG A 66 4.390 5.255 6.346 1.00 0.00 C ATOM 946 CG ARG A 66 3.362 5.693 7.375 1.00 0.00 C ATOM 947 CD ARG A 66 3.644 5.083 8.740 1.00 0.00 C ATOM 948 NE ARG A 66 4.804 5.694 9.382 1.00 0.00 N ATOM 949 CZ ARG A 66 5.115 5.515 10.661 1.00 0.00 C ATOM 950 NH1 ARG A 66 4.356 4.746 11.430 1.00 0.00 N ATOM 951 NH2 ARG A 66 6.188 6.105 11.173 1.00 0.00 N ATOM 0 H ARG A 66 3.843 3.219 4.534 1.00 0.00 H new ATOM 0 HA ARG A 66 3.133 6.080 4.810 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.722 4.244 6.584 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.263 5.903 6.419 1.00 0.00 H new ATOM 0 HG2 ARG A 66 3.365 6.780 7.454 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.366 5.400 7.043 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.770 5.205 9.379 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.812 4.012 8.631 1.00 0.00 H new ATOM 0 HE ARG A 66 5.409 6.291 8.818 1.00 0.00 H new ATOM 0 HH11 ARG A 66 3.531 4.290 11.040 1.00 0.00 H new ATOM 0 HH12 ARG A 66 4.597 4.610 12.412 1.00 0.00 H new ATOM 0 HH21 ARG A 66 6.775 6.696 10.584 1.00 0.00 H new ATOM 0 HH22 ARG A 66 6.426 5.967 12.155 1.00 0.00 H new ATOM 965 N GLY A 67 5.281 6.842 3.699 1.00 0.00 N ATOM 966 CA GLY A 67 6.353 7.220 2.797 1.00 0.00 C ATOM 967 C GLY A 67 5.951 8.337 1.853 1.00 0.00 C ATOM 968 O GLY A 67 4.850 8.882 1.938 1.00 0.00 O ATOM 0 H GLY A 67 4.771 7.624 4.109 1.00 0.00 H new ATOM 0 HA2 GLY A 67 7.219 7.535 3.379 1.00 0.00 H new ATOM 0 HA3 GLY A 67 6.658 6.350 2.216 1.00 0.00 H new ATOM 972 N PRO A 68 6.857 8.693 0.932 1.00 0.00 N ATOM 973 CA PRO A 68 6.613 9.756 -0.048 1.00 0.00 C ATOM 974 C PRO A 68 5.569 9.360 -1.086 1.00 0.00 C ATOM 975 O PRO A 68 5.690 8.323 -1.738 1.00 0.00 O ATOM 976 CB PRO A 68 7.980 9.947 -0.711 1.00 0.00 C ATOM 977 CG PRO A 68 8.671 8.638 -0.538 1.00 0.00 C ATOM 978 CD PRO A 68 8.189 8.085 0.774 1.00 0.00 C ATOM 0 HA PRO A 68 6.220 10.659 0.420 1.00 0.00 H new ATOM 0 HB2 PRO A 68 7.876 10.204 -1.765 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.539 10.755 -0.240 1.00 0.00 H new ATOM 0 HG2 PRO A 68 8.434 7.960 -1.358 1.00 0.00 H new ATOM 0 HG3 PRO A 68 9.753 8.766 -0.533 1.00 0.00 H new ATOM 0 HD2 PRO A 68 8.134 6.997 0.755 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.854 8.357 1.593 1.00 0.00 H new ATOM 986 N SER A 69 4.544 10.192 -1.234 1.00 0.00 N ATOM 987 CA SER A 69 3.476 9.927 -2.191 1.00 0.00 C ATOM 988 C SER A 69 4.037 9.345 -3.485 1.00 0.00 C ATOM 989 O SER A 69 3.668 8.246 -3.897 1.00 0.00 O ATOM 990 CB SER A 69 2.699 11.211 -2.491 1.00 0.00 C ATOM 991 OG SER A 69 3.572 12.252 -2.891 1.00 0.00 O ATOM 0 H SER A 69 4.430 11.056 -0.703 1.00 0.00 H new ATOM 0 HA SER A 69 2.799 9.197 -1.748 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.968 11.022 -3.277 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.142 11.519 -1.606 1.00 0.00 H new ATOM 0 HG SER A 69 3.052 13.061 -3.079 1.00 0.00 H new ATOM 997 N SER A 70 4.934 10.092 -4.121 1.00 0.00 N ATOM 998 CA SER A 70 5.545 9.654 -5.371 1.00 0.00 C ATOM 999 C SER A 70 5.759 8.143 -5.371 1.00 0.00 C ATOM 1000 O SER A 70 5.527 7.473 -6.378 1.00 0.00 O ATOM 1001 CB SER A 70 6.880 10.368 -5.588 1.00 0.00 C ATOM 1002 OG SER A 70 6.684 11.669 -6.116 1.00 0.00 O ATOM 0 H SER A 70 5.254 11.003 -3.792 1.00 0.00 H new ATOM 0 HA SER A 70 4.868 9.908 -6.186 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.419 10.433 -4.643 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.501 9.786 -6.269 1.00 0.00 H new ATOM 0 HG SER A 70 7.553 12.104 -6.244 1.00 0.00 H new ATOM 1008 N ASP A 71 6.200 7.614 -4.235 1.00 0.00 N ATOM 1009 CA ASP A 71 6.444 6.182 -4.101 1.00 0.00 C ATOM 1010 C ASP A 71 5.175 5.454 -3.669 1.00 0.00 C ATOM 1011 O ASP A 71 4.812 4.426 -4.241 1.00 0.00 O ATOM 1012 CB ASP A 71 7.564 5.926 -3.093 1.00 0.00 C ATOM 1013 CG ASP A 71 7.797 4.448 -2.849 1.00 0.00 C ATOM 1014 OD1 ASP A 71 6.801 3.706 -2.709 1.00 0.00 O ATOM 1015 OD2 ASP A 71 8.973 4.033 -2.798 1.00 0.00 O ATOM 0 H ASP A 71 6.396 8.155 -3.393 1.00 0.00 H new ATOM 0 HA ASP A 71 6.749 5.797 -5.074 1.00 0.00 H new ATOM 0 HB2 ASP A 71 8.486 6.381 -3.455 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.318 6.413 -2.149 1.00 0.00 H new ATOM 1020 N VAL A 72 4.506 5.992 -2.655 1.00 0.00 N ATOM 1021 CA VAL A 72 3.279 5.393 -2.145 1.00 0.00 C ATOM 1022 C VAL A 72 2.336 5.019 -3.283 1.00 0.00 C ATOM 1023 O VAL A 72 1.738 3.943 -3.278 1.00 0.00 O ATOM 1024 CB VAL A 72 2.548 6.345 -1.179 1.00 0.00 C ATOM 1025 CG1 VAL A 72 1.286 5.692 -0.637 1.00 0.00 C ATOM 1026 CG2 VAL A 72 3.471 6.764 -0.045 1.00 0.00 C ATOM 0 H VAL A 72 4.793 6.842 -2.170 1.00 0.00 H new ATOM 0 HA VAL A 72 3.568 4.491 -1.605 1.00 0.00 H new ATOM 0 HB VAL A 72 2.257 7.239 -1.729 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.784 6.380 0.043 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.619 5.448 -1.464 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.549 4.780 -0.102 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.939 7.436 0.628 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.795 5.881 0.506 1.00 0.00 H new ATOM 0 HG23 VAL A 72 4.342 7.276 -0.455 1.00 0.00 H new ATOM 1036 N GLU A 73 2.209 5.915 -4.258 1.00 0.00 N ATOM 1037 CA GLU A 73 1.337 5.678 -5.402 1.00 0.00 C ATOM 1038 C GLU A 73 1.815 4.474 -6.209 1.00 0.00 C ATOM 1039 O GLU A 73 1.012 3.750 -6.800 1.00 0.00 O ATOM 1040 CB GLU A 73 1.287 6.917 -6.298 1.00 0.00 C ATOM 1041 CG GLU A 73 2.501 7.067 -7.199 1.00 0.00 C ATOM 1042 CD GLU A 73 2.276 8.062 -8.321 1.00 0.00 C ATOM 1043 OE1 GLU A 73 2.060 9.255 -8.022 1.00 0.00 O ATOM 1044 OE2 GLU A 73 2.315 7.647 -9.498 1.00 0.00 O ATOM 0 H GLU A 73 2.698 6.810 -4.278 1.00 0.00 H new ATOM 0 HA GLU A 73 0.335 5.469 -5.026 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.390 6.872 -6.916 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.198 7.805 -5.671 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.355 7.386 -6.601 1.00 0.00 H new ATOM 0 HG3 GLU A 73 2.755 6.096 -7.625 1.00 0.00 H new ATOM 1051 N LYS A 74 3.126 4.264 -6.230 1.00 0.00 N ATOM 1052 CA LYS A 74 3.713 3.148 -6.962 1.00 0.00 C ATOM 1053 C LYS A 74 3.561 1.846 -6.183 1.00 0.00 C ATOM 1054 O LYS A 74 3.244 0.804 -6.753 1.00 0.00 O ATOM 1055 CB LYS A 74 5.193 3.417 -7.244 1.00 0.00 C ATOM 1056 CG LYS A 74 5.451 4.757 -7.913 1.00 0.00 C ATOM 1057 CD LYS A 74 5.320 4.660 -9.424 1.00 0.00 C ATOM 1058 CE LYS A 74 6.495 3.917 -10.039 1.00 0.00 C ATOM 1059 NZ LYS A 74 7.616 4.837 -10.378 1.00 0.00 N ATOM 0 H LYS A 74 3.804 4.853 -5.747 1.00 0.00 H new ATOM 0 HA LYS A 74 3.182 3.048 -7.909 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.746 3.376 -6.306 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.584 2.622 -7.879 1.00 0.00 H new ATOM 0 HG2 LYS A 74 4.746 5.496 -7.532 1.00 0.00 H new ATOM 0 HG3 LYS A 74 6.451 5.107 -7.655 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.392 4.148 -9.678 1.00 0.00 H new ATOM 0 HD3 LYS A 74 5.258 5.661 -9.850 1.00 0.00 H new ATOM 0 HE2 LYS A 74 6.848 3.156 -9.343 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.166 3.398 -10.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 8.398 4.293 -10.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 7.287 5.549 -11.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 7.947 5.313 -9.515 1.00 0.00 H new ATOM 1073 N ALA A 75 3.789 1.915 -4.875 1.00 0.00 N ATOM 1074 CA ALA A 75 3.673 0.742 -4.017 1.00 0.00 C ATOM 1075 C ALA A 75 2.229 0.259 -3.938 1.00 0.00 C ATOM 1076 O ALA A 75 1.971 -0.936 -3.793 1.00 0.00 O ATOM 1077 CB ALA A 75 4.205 1.053 -2.626 1.00 0.00 C ATOM 0 H ALA A 75 4.055 2.770 -4.387 1.00 0.00 H new ATOM 0 HA ALA A 75 4.271 -0.058 -4.453 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.113 0.169 -1.995 1.00 0.00 H new ATOM 0 HB2 ALA A 75 5.254 1.342 -2.694 1.00 0.00 H new ATOM 0 HB3 ALA A 75 3.630 1.871 -2.191 1.00 0.00 H new ATOM 1083 N LYS A 76 1.291 1.195 -4.034 1.00 0.00 N ATOM 1084 CA LYS A 76 -0.128 0.865 -3.974 1.00 0.00 C ATOM 1085 C LYS A 76 -0.582 0.180 -5.259 1.00 0.00 C ATOM 1086 O LYS A 76 -1.195 -0.887 -5.223 1.00 0.00 O ATOM 1087 CB LYS A 76 -0.957 2.130 -3.740 1.00 0.00 C ATOM 1088 CG LYS A 76 -2.429 1.853 -3.487 1.00 0.00 C ATOM 1089 CD LYS A 76 -3.295 3.031 -3.899 1.00 0.00 C ATOM 1090 CE LYS A 76 -4.731 2.602 -4.164 1.00 0.00 C ATOM 1091 NZ LYS A 76 -4.929 2.169 -5.575 1.00 0.00 N ATOM 0 H LYS A 76 1.488 2.189 -4.154 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.280 0.178 -3.142 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -0.546 2.672 -2.888 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.862 2.782 -4.608 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.734 0.965 -4.040 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -2.584 1.638 -2.430 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.279 3.788 -3.114 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -2.881 3.493 -4.795 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -4.996 1.785 -3.493 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -5.404 3.429 -3.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -5.630 1.402 -5.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -5.269 2.973 -6.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -4.026 1.830 -5.964 1.00 0.00 H new ATOM 1105 N LYS A 77 -0.274 0.797 -6.395 1.00 0.00 N ATOM 1106 CA LYS A 77 -0.647 0.245 -7.693 1.00 0.00 C ATOM 1107 C LYS A 77 -0.054 -1.147 -7.883 1.00 0.00 C ATOM 1108 O LYS A 77 -0.604 -1.971 -8.613 1.00 0.00 O ATOM 1109 CB LYS A 77 -0.178 1.171 -8.817 1.00 0.00 C ATOM 1110 CG LYS A 77 1.287 0.992 -9.180 1.00 0.00 C ATOM 1111 CD LYS A 77 1.628 1.691 -10.485 1.00 0.00 C ATOM 1112 CE LYS A 77 3.075 1.449 -10.886 1.00 0.00 C ATOM 1113 NZ LYS A 77 3.240 0.163 -11.620 1.00 0.00 N ATOM 0 H LYS A 77 0.233 1.680 -6.443 1.00 0.00 H new ATOM 0 HA LYS A 77 -1.733 0.164 -7.728 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -0.788 0.992 -9.703 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.346 2.206 -8.518 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.912 1.389 -8.380 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.514 -0.071 -9.265 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.966 1.334 -11.274 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.452 2.762 -10.382 1.00 0.00 H new ATOM 0 HE2 LYS A 77 3.421 2.271 -11.512 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.702 1.441 -9.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.240 0.035 -11.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.934 -0.625 -11.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.661 0.180 -12.484 1.00 0.00 H new ATOM 1127 N GLN A 78 1.070 -1.401 -7.221 1.00 0.00 N ATOM 1128 CA GLN A 78 1.737 -2.695 -7.317 1.00 0.00 C ATOM 1129 C GLN A 78 1.029 -3.738 -6.459 1.00 0.00 C ATOM 1130 O GLN A 78 0.842 -4.880 -6.881 1.00 0.00 O ATOM 1131 CB GLN A 78 3.200 -2.571 -6.887 1.00 0.00 C ATOM 1132 CG GLN A 78 4.107 -2.003 -7.968 1.00 0.00 C ATOM 1133 CD GLN A 78 5.544 -2.461 -7.824 1.00 0.00 C ATOM 1134 OE1 GLN A 78 5.911 -3.544 -8.281 1.00 0.00 O ATOM 1135 NE2 GLN A 78 6.368 -1.636 -7.188 1.00 0.00 N ATOM 0 H GLN A 78 1.538 -0.729 -6.613 1.00 0.00 H new ATOM 0 HA GLN A 78 1.697 -3.020 -8.357 1.00 0.00 H new ATOM 0 HB2 GLN A 78 3.258 -1.934 -6.004 1.00 0.00 H new ATOM 0 HB3 GLN A 78 3.569 -3.554 -6.595 1.00 0.00 H new ATOM 0 HG2 GLN A 78 3.731 -2.302 -8.946 1.00 0.00 H new ATOM 0 HG3 GLN A 78 4.071 -0.914 -7.932 1.00 0.00 H new ATOM 0 HE21 GLN A 78 6.021 -0.748 -6.825 1.00 0.00 H new ATOM 0 HE22 GLN A 78 7.348 -1.890 -7.062 1.00 0.00 H new ATOM 1144 N LEU A 79 0.637 -3.338 -5.254 1.00 0.00 N ATOM 1145 CA LEU A 79 -0.050 -4.239 -4.336 1.00 0.00 C ATOM 1146 C LEU A 79 -1.399 -4.670 -4.904 1.00 0.00 C ATOM 1147 O LEU A 79 -1.775 -5.840 -4.822 1.00 0.00 O ATOM 1148 CB LEU A 79 -0.248 -3.562 -2.979 1.00 0.00 C ATOM 1149 CG LEU A 79 -0.265 -4.489 -1.763 1.00 0.00 C ATOM 1150 CD1 LEU A 79 1.139 -4.659 -1.202 1.00 0.00 C ATOM 1151 CD2 LEU A 79 -1.205 -3.949 -0.694 1.00 0.00 C ATOM 0 H LEU A 79 0.783 -2.396 -4.890 1.00 0.00 H new ATOM 0 HA LEU A 79 0.569 -5.127 -4.205 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.547 -2.829 -2.841 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.188 -3.011 -3.004 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.629 -5.466 -2.080 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.107 -5.322 -0.337 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.786 -5.090 -1.966 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.530 -3.687 -0.900 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.205 -4.621 0.164 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.870 -2.960 -0.381 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.214 -3.878 -1.099 1.00 0.00 H new ATOM 1163 N LEU A 80 -2.123 -3.717 -5.481 1.00 0.00 N ATOM 1164 CA LEU A 80 -3.431 -3.997 -6.065 1.00 0.00 C ATOM 1165 C LEU A 80 -3.323 -5.056 -7.158 1.00 0.00 C ATOM 1166 O LEU A 80 -4.051 -6.049 -7.149 1.00 0.00 O ATOM 1167 CB LEU A 80 -4.041 -2.718 -6.636 1.00 0.00 C ATOM 1168 CG LEU A 80 -4.890 -1.889 -5.672 1.00 0.00 C ATOM 1169 CD1 LEU A 80 -4.017 -0.922 -4.887 1.00 0.00 C ATOM 1170 CD2 LEU A 80 -5.976 -1.136 -6.428 1.00 0.00 C ATOM 0 H LEU A 80 -1.827 -2.744 -5.557 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.079 -4.380 -5.277 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.233 -2.089 -7.009 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.658 -2.985 -7.494 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.370 -2.568 -4.967 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.639 -0.341 -4.206 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.278 -1.482 -4.314 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.508 -0.249 -5.577 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.570 -0.552 -5.725 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.516 -0.469 -7.157 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.621 -1.848 -6.944 1.00 0.00 H new ATOM 1182 N HIS A 81 -2.407 -4.838 -8.096 1.00 0.00 N ATOM 1183 CA HIS A 81 -2.202 -5.775 -9.196 1.00 0.00 C ATOM 1184 C HIS A 81 -1.938 -7.181 -8.669 1.00 0.00 C ATOM 1185 O HIS A 81 -2.593 -8.142 -9.076 1.00 0.00 O ATOM 1186 CB HIS A 81 -1.034 -5.318 -10.071 1.00 0.00 C ATOM 1187 CG HIS A 81 -1.025 -5.944 -11.432 1.00 0.00 C ATOM 1188 ND1 HIS A 81 -2.103 -5.892 -12.291 1.00 0.00 N ATOM 1189 CD2 HIS A 81 -0.061 -6.637 -12.081 1.00 0.00 C ATOM 1190 CE1 HIS A 81 -1.802 -6.528 -13.410 1.00 0.00 C ATOM 1191 NE2 HIS A 81 -0.568 -6.989 -13.309 1.00 0.00 N ATOM 0 H HIS A 81 -1.795 -4.022 -8.117 1.00 0.00 H new ATOM 0 HA HIS A 81 -3.111 -5.796 -9.798 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -1.074 -4.234 -10.179 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -0.098 -5.554 -9.565 1.00 0.00 H new ATOM 0 HD2 HIS A 81 0.924 -6.870 -11.704 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -2.454 -6.650 -14.262 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -0.072 -7.520 -14.025 1.00 0.00 H new ATOM 1199 N LEU A 82 -0.975 -7.296 -7.761 1.00 0.00 N ATOM 1200 CA LEU A 82 -0.622 -8.587 -7.177 1.00 0.00 C ATOM 1201 C LEU A 82 -1.805 -9.183 -6.421 1.00 0.00 C ATOM 1202 O LEU A 82 -2.324 -10.236 -6.791 1.00 0.00 O ATOM 1203 CB LEU A 82 0.574 -8.434 -6.237 1.00 0.00 C ATOM 1204 CG LEU A 82 1.825 -7.793 -6.841 1.00 0.00 C ATOM 1205 CD1 LEU A 82 2.748 -7.288 -5.743 1.00 0.00 C ATOM 1206 CD2 LEU A 82 2.551 -8.783 -7.738 1.00 0.00 C ATOM 0 H LEU A 82 -0.424 -6.511 -7.413 1.00 0.00 H new ATOM 0 HA LEU A 82 -0.354 -9.264 -7.988 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.263 -7.838 -5.379 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.842 -9.421 -5.859 1.00 0.00 H new ATOM 0 HG LEU A 82 1.517 -6.942 -7.449 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.633 -6.835 -6.191 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.225 -6.545 -5.141 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.049 -8.122 -5.109 1.00 0.00 H new ATOM 0 HD21 LEU A 82 3.438 -8.310 -8.159 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.847 -9.654 -7.154 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.889 -9.096 -8.545 1.00 0.00 H new ATOM 1218 N ALA A 83 -2.228 -8.502 -5.361 1.00 0.00 N ATOM 1219 CA ALA A 83 -3.352 -8.962 -4.556 1.00 0.00 C ATOM 1220 C ALA A 83 -4.404 -9.646 -5.423 1.00 0.00 C ATOM 1221 O ALA A 83 -4.841 -10.756 -5.122 1.00 0.00 O ATOM 1222 CB ALA A 83 -3.969 -7.797 -3.795 1.00 0.00 C ATOM 0 H ALA A 83 -1.809 -7.629 -5.040 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.978 -9.693 -3.839 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.807 -8.156 -3.198 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -3.220 -7.353 -3.139 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.322 -7.047 -4.502 1.00 0.00 H new ATOM 1228 N GLU A 84 -4.808 -8.974 -6.497 1.00 0.00 N ATOM 1229 CA GLU A 84 -5.810 -9.520 -7.405 1.00 0.00 C ATOM 1230 C GLU A 84 -5.277 -10.752 -8.129 1.00 0.00 C ATOM 1231 O GLU A 84 -5.957 -11.773 -8.221 1.00 0.00 O ATOM 1232 CB GLU A 84 -6.236 -8.460 -8.424 1.00 0.00 C ATOM 1233 CG GLU A 84 -6.932 -7.261 -7.801 1.00 0.00 C ATOM 1234 CD GLU A 84 -8.434 -7.442 -7.707 1.00 0.00 C ATOM 1235 OE1 GLU A 84 -9.077 -7.631 -8.761 1.00 0.00 O ATOM 1236 OE2 GLU A 84 -8.967 -7.393 -6.579 1.00 0.00 O ATOM 0 H GLU A 84 -4.458 -8.053 -6.759 1.00 0.00 H new ATOM 0 HA GLU A 84 -6.676 -9.816 -6.814 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.356 -8.116 -8.968 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.903 -8.918 -9.154 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.528 -7.089 -6.804 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.713 -6.371 -8.392 1.00 0.00 H new ATOM 1243 N GLU A 85 -4.054 -10.647 -8.642 1.00 0.00 N ATOM 1244 CA GLU A 85 -3.430 -11.753 -9.359 1.00 0.00 C ATOM 1245 C GLU A 85 -3.420 -13.018 -8.505 1.00 0.00 C ATOM 1246 O GLU A 85 -3.940 -14.058 -8.909 1.00 0.00 O ATOM 1247 CB GLU A 85 -2.001 -11.385 -9.763 1.00 0.00 C ATOM 1248 CG GLU A 85 -1.923 -10.542 -11.024 1.00 0.00 C ATOM 1249 CD GLU A 85 -2.739 -11.120 -12.164 1.00 0.00 C ATOM 1250 OE1 GLU A 85 -2.647 -12.343 -12.397 1.00 0.00 O ATOM 1251 OE2 GLU A 85 -3.469 -10.349 -12.823 1.00 0.00 O ATOM 0 H GLU A 85 -3.477 -9.809 -8.574 1.00 0.00 H new ATOM 0 HA GLU A 85 -4.015 -11.947 -10.258 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.529 -10.843 -8.944 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.427 -12.300 -9.912 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -2.275 -9.534 -10.805 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -0.882 -10.456 -11.335 1.00 0.00 H new ATOM 1258 N LYS A 86 -2.822 -12.922 -7.322 1.00 0.00 N ATOM 1259 CA LYS A 86 -2.743 -14.056 -6.410 1.00 0.00 C ATOM 1260 C LYS A 86 -3.995 -14.922 -6.509 1.00 0.00 C ATOM 1261 O LYS A 86 -3.906 -16.141 -6.646 1.00 0.00 O ATOM 1262 CB LYS A 86 -2.560 -13.568 -4.971 1.00 0.00 C ATOM 1263 CG LYS A 86 -1.299 -12.747 -4.763 1.00 0.00 C ATOM 1264 CD LYS A 86 -0.048 -13.595 -4.925 1.00 0.00 C ATOM 1265 CE LYS A 86 1.120 -13.021 -4.138 1.00 0.00 C ATOM 1266 NZ LYS A 86 2.164 -14.049 -3.867 1.00 0.00 N ATOM 0 H LYS A 86 -2.385 -12.069 -6.973 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.881 -14.660 -6.695 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.425 -12.969 -4.687 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.537 -14.430 -4.304 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.277 -11.925 -5.478 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -1.313 -12.304 -3.767 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -0.250 -14.612 -4.588 1.00 0.00 H new ATOM 0 HD3 LYS A 86 0.218 -13.656 -5.980 1.00 0.00 H new ATOM 0 HE2 LYS A 86 1.561 -12.193 -4.694 1.00 0.00 H new ATOM 0 HE3 LYS A 86 0.757 -12.614 -3.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 2.359 -14.085 -2.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 1.827 -14.979 -4.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 3.036 -13.801 -4.377 1.00 0.00 H new