USER MOD reduce.3.24.130724 H: found=0, std=0, add=563, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 565 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 16 LYS NZ :NH3+ -168:sc= -0.0203 (180deg=-0.173) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -174:sc= 0.584 (180deg=0.557) USER MOD Single : A 20 LYS NZ :NH3+ -152:sc= 1.17 (180deg=0.769) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0466 USER MOD Single : A 26 GLN : amide:sc= -1.05 K(o=-1.1,f=-5.2!) USER MOD Single : A 29 HIS : no HE2:sc= -1.31! C(o=-1.3!,f=-6.4!) USER MOD Single : A 32 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0295) USER MOD Single : A 38 LYS NZ :NH3+ -106:sc= 1.25 (180deg=0.826) USER MOD Single : A 41 LYS NZ :NH3+ -165:sc= -0.0838 (180deg=-0.378) USER MOD Single : A 42 ASN : amide:sc= -0.214 K(o=-0.21,f=-1.8!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -174:sc= 0.887 (180deg=0.855) USER MOD Single : A 48 GLN :FLIP amide:sc=-0.00243 F(o=-0.93,f=-0.0024) USER MOD Single : A 51 GLN :FLIP amide:sc= 0 F(o=-0.7,f=0) USER MOD Single : A 58 THR OG1 : rot 149:sc= -1.26! USER MOD Single : A 64 LYS NZ :NH3+ 151:sc= 1.21 (180deg=0.986) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.754 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 166:sc= 0.889 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot -24:sc= 0.124 USER MOD ----------------------------------------------------------------- ATOM 244 N GLU A 14 -13.748 -5.003 -11.206 1.00 0.00 N ATOM 245 CA GLU A 14 -14.181 -6.047 -10.306 1.00 0.00 C ATOM 246 C GLU A 14 -13.943 -5.681 -8.876 1.00 0.00 C ATOM 247 O GLU A 14 -14.701 -6.083 -8.012 1.00 0.00 O ATOM 248 CB GLU A 14 -13.505 -7.381 -10.593 1.00 0.00 C ATOM 249 CG GLU A 14 -11.990 -7.370 -10.485 1.00 0.00 C ATOM 250 CD GLU A 14 -11.391 -8.726 -10.721 1.00 0.00 C ATOM 251 OE1 GLU A 14 -11.263 -9.137 -11.895 1.00 0.00 O ATOM 252 OE2 GLU A 14 -11.019 -9.408 -9.744 1.00 0.00 O ATOM 0 HA GLU A 14 -15.252 -6.155 -10.478 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -13.898 -8.126 -9.902 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -13.780 -7.702 -11.598 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -11.582 -6.664 -11.208 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.701 -7.015 -9.496 1.00 0.00 H new ATOM 259 N ILE A 15 -12.922 -4.881 -8.618 1.00 0.00 N ATOM 260 CA ILE A 15 -12.526 -4.619 -7.248 1.00 0.00 C ATOM 261 C ILE A 15 -13.610 -3.847 -6.502 1.00 0.00 C ATOM 262 O ILE A 15 -13.797 -4.008 -5.298 1.00 0.00 O ATOM 263 CB ILE A 15 -11.135 -3.903 -7.126 1.00 0.00 C ATOM 264 CG1 ILE A 15 -11.176 -2.441 -7.625 1.00 0.00 C ATOM 265 CG2 ILE A 15 -10.064 -4.686 -7.867 1.00 0.00 C ATOM 266 CD1 ILE A 15 -11.506 -1.402 -6.568 1.00 0.00 C ATOM 0 H ILE A 15 -12.361 -4.409 -9.327 1.00 0.00 H new ATOM 0 HA ILE A 15 -12.405 -5.594 -6.776 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.886 -3.873 -6.065 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -10.207 -2.196 -8.061 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -11.913 -2.368 -8.425 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -9.107 -4.174 -7.771 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.985 -5.686 -7.441 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -10.331 -4.760 -8.921 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -11.509 -0.411 -7.021 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -12.489 -1.612 -6.146 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -10.757 -1.437 -5.777 1.00 0.00 H new ATOM 278 N LYS A 16 -14.350 -3.049 -7.248 1.00 0.00 N ATOM 279 CA LYS A 16 -15.411 -2.240 -6.704 1.00 0.00 C ATOM 280 C LYS A 16 -16.558 -3.112 -6.225 1.00 0.00 C ATOM 281 O LYS A 16 -17.260 -2.765 -5.288 1.00 0.00 O ATOM 282 CB LYS A 16 -15.886 -1.229 -7.741 1.00 0.00 C ATOM 283 CG LYS A 16 -14.889 -0.124 -8.044 1.00 0.00 C ATOM 284 CD LYS A 16 -15.445 0.826 -9.089 1.00 0.00 C ATOM 285 CE LYS A 16 -14.493 1.979 -9.392 1.00 0.00 C ATOM 286 NZ LYS A 16 -14.198 2.800 -8.197 1.00 0.00 N ATOM 0 H LYS A 16 -14.227 -2.947 -8.255 1.00 0.00 H new ATOM 0 HA LYS A 16 -15.028 -1.692 -5.843 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -16.117 -1.757 -8.666 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -16.815 -0.778 -7.392 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -14.659 0.425 -7.131 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -13.954 -0.558 -8.400 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -15.647 0.274 -10.007 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -16.398 1.226 -8.742 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -13.561 1.581 -9.794 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -14.929 2.612 -10.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -13.719 3.676 -8.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -15.086 3.036 -7.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -13.581 2.266 -7.553 1.00 0.00 H new ATOM 300 N LYS A 17 -16.691 -4.261 -6.840 1.00 0.00 N ATOM 301 CA LYS A 17 -17.727 -5.217 -6.499 1.00 0.00 C ATOM 302 C LYS A 17 -17.193 -6.182 -5.442 1.00 0.00 C ATOM 303 O LYS A 17 -17.837 -6.453 -4.428 1.00 0.00 O ATOM 304 CB LYS A 17 -18.092 -6.018 -7.743 1.00 0.00 C ATOM 305 CG LYS A 17 -18.571 -5.192 -8.931 1.00 0.00 C ATOM 306 CD LYS A 17 -18.697 -6.056 -10.182 1.00 0.00 C ATOM 307 CE LYS A 17 -19.674 -7.214 -9.995 1.00 0.00 C ATOM 308 NZ LYS A 17 -21.070 -6.769 -9.845 1.00 0.00 N ATOM 0 H LYS A 17 -16.081 -4.566 -7.598 1.00 0.00 H new ATOM 0 HA LYS A 17 -18.601 -4.689 -6.118 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -17.221 -6.597 -8.051 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -18.872 -6.732 -7.480 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -19.535 -4.739 -8.699 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -17.872 -4.376 -9.117 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -19.028 -5.437 -11.016 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -17.716 -6.451 -10.447 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -19.602 -7.885 -10.851 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -19.385 -7.788 -9.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -21.687 -7.597 -9.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -21.150 -6.151 -9.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -21.360 -6.245 -10.695 1.00 0.00 H new ATOM 322 N LYS A 18 -15.992 -6.661 -5.693 1.00 0.00 N ATOM 323 CA LYS A 18 -15.312 -7.655 -4.879 1.00 0.00 C ATOM 324 C LYS A 18 -14.966 -7.129 -3.487 1.00 0.00 C ATOM 325 O LYS A 18 -15.179 -7.815 -2.487 1.00 0.00 O ATOM 326 CB LYS A 18 -14.043 -8.097 -5.620 1.00 0.00 C ATOM 327 CG LYS A 18 -13.190 -9.136 -4.913 1.00 0.00 C ATOM 328 CD LYS A 18 -12.019 -9.550 -5.793 1.00 0.00 C ATOM 329 CE LYS A 18 -11.077 -10.499 -5.074 1.00 0.00 C ATOM 330 NZ LYS A 18 -9.959 -10.923 -5.941 1.00 0.00 N ATOM 0 H LYS A 18 -15.441 -6.360 -6.497 1.00 0.00 H new ATOM 0 HA LYS A 18 -15.982 -8.502 -4.728 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -14.333 -8.494 -6.593 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -13.429 -7.216 -5.806 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -12.820 -8.732 -3.971 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -13.796 -10.009 -4.669 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -12.396 -10.028 -6.697 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.470 -8.663 -6.107 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.681 -10.012 -4.182 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -11.630 -11.376 -4.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.395 -11.647 -5.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.336 -11.318 -6.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -9.357 -10.103 -6.157 1.00 0.00 H new ATOM 344 N PHE A 19 -14.452 -5.930 -3.422 1.00 0.00 N ATOM 345 CA PHE A 19 -14.018 -5.367 -2.145 1.00 0.00 C ATOM 346 C PHE A 19 -14.924 -4.246 -1.669 1.00 0.00 C ATOM 347 O PHE A 19 -14.791 -3.780 -0.536 1.00 0.00 O ATOM 348 CB PHE A 19 -12.590 -4.850 -2.258 1.00 0.00 C ATOM 349 CG PHE A 19 -11.589 -5.878 -2.665 1.00 0.00 C ATOM 350 CD1 PHE A 19 -11.223 -6.882 -1.795 1.00 0.00 C ATOM 351 CD2 PHE A 19 -11.007 -5.834 -3.920 1.00 0.00 C ATOM 352 CE1 PHE A 19 -10.302 -7.829 -2.166 1.00 0.00 C ATOM 353 CE2 PHE A 19 -10.082 -6.781 -4.298 1.00 0.00 C ATOM 354 CZ PHE A 19 -9.728 -7.780 -3.419 1.00 0.00 C ATOM 0 H PHE A 19 -14.319 -5.317 -4.226 1.00 0.00 H new ATOM 0 HA PHE A 19 -14.069 -6.170 -1.410 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -12.569 -4.035 -2.981 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -12.292 -4.432 -1.297 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -11.666 -6.924 -0.811 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -11.281 -5.049 -4.609 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -10.026 -8.613 -1.476 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -9.636 -6.740 -5.281 1.00 0.00 H new ATOM 0 HZ PHE A 19 -9.002 -8.524 -3.710 1.00 0.00 H new ATOM 364 N LYS A 20 -15.842 -3.827 -2.535 1.00 0.00 N ATOM 365 CA LYS A 20 -16.786 -2.724 -2.263 1.00 0.00 C ATOM 366 C LYS A 20 -16.054 -1.390 -2.119 1.00 0.00 C ATOM 367 O LYS A 20 -15.822 -0.905 -1.023 1.00 0.00 O ATOM 368 CB LYS A 20 -17.669 -2.968 -1.019 1.00 0.00 C ATOM 369 CG LYS A 20 -18.460 -4.262 -1.018 1.00 0.00 C ATOM 370 CD LYS A 20 -19.481 -4.325 -2.129 1.00 0.00 C ATOM 371 CE LYS A 20 -20.267 -5.622 -2.057 1.00 0.00 C ATOM 372 NZ LYS A 20 -19.397 -6.805 -2.219 1.00 0.00 N ATOM 0 H LYS A 20 -15.961 -4.242 -3.459 1.00 0.00 H new ATOM 0 HA LYS A 20 -17.447 -2.685 -3.129 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -17.032 -2.953 -0.135 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -18.367 -2.137 -0.923 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -17.773 -5.103 -1.114 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -18.966 -4.372 -0.059 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -20.161 -3.476 -2.054 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -18.981 -4.249 -3.095 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -20.784 -5.680 -1.099 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -21.033 -5.626 -2.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -19.947 -7.586 -2.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -18.605 -6.569 -2.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -19.026 -7.093 -1.291 1.00 0.00 H new ATOM 386 N LEU A 21 -15.629 -0.848 -3.226 1.00 0.00 N ATOM 387 CA LEU A 21 -14.955 0.455 -3.236 1.00 0.00 C ATOM 388 C LEU A 21 -15.773 1.502 -3.903 1.00 0.00 C ATOM 389 O LEU A 21 -15.253 2.537 -4.320 1.00 0.00 O ATOM 390 CB LEU A 21 -13.570 0.423 -3.846 1.00 0.00 C ATOM 391 CG LEU A 21 -12.459 -0.050 -2.943 1.00 0.00 C ATOM 392 CD1 LEU A 21 -12.410 -1.551 -2.862 1.00 0.00 C ATOM 393 CD2 LEU A 21 -11.151 0.534 -3.384 1.00 0.00 C ATOM 0 H LEU A 21 -15.730 -1.277 -4.146 1.00 0.00 H new ATOM 0 HA LEU A 21 -14.837 0.711 -2.183 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -13.597 -0.222 -4.724 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -13.325 1.426 -4.195 1.00 0.00 H new ATOM 0 HG LEU A 21 -12.662 0.305 -1.933 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -11.597 -1.853 -2.202 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -13.355 -1.925 -2.468 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -12.243 -1.964 -3.857 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -10.356 0.185 -2.725 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -10.938 0.220 -4.406 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -11.206 1.622 -3.343 1.00 0.00 H new ATOM 405 N THR A 22 -17.031 1.225 -4.033 1.00 0.00 N ATOM 406 CA THR A 22 -17.955 2.143 -4.615 1.00 0.00 C ATOM 407 C THR A 22 -18.164 3.375 -3.710 1.00 0.00 C ATOM 408 O THR A 22 -19.066 3.402 -2.860 1.00 0.00 O ATOM 409 CB THR A 22 -19.271 1.421 -4.909 1.00 0.00 C ATOM 410 OG1 THR A 22 -19.574 0.533 -3.800 1.00 0.00 O ATOM 411 CG2 THR A 22 -19.158 0.610 -6.193 1.00 0.00 C ATOM 0 H THR A 22 -17.450 0.344 -3.734 1.00 0.00 H new ATOM 0 HA THR A 22 -17.547 2.514 -5.555 1.00 0.00 H new ATOM 0 HB THR A 22 -20.066 2.157 -5.032 1.00 0.00 H new ATOM 0 HG1 THR A 22 -20.417 0.065 -3.976 1.00 0.00 H new ATOM 0 HG21 THR A 22 -20.103 0.103 -6.387 1.00 0.00 H new ATOM 0 HG22 THR A 22 -18.926 1.275 -7.024 1.00 0.00 H new ATOM 0 HG23 THR A 22 -18.364 -0.130 -6.088 1.00 0.00 H new ATOM 419 N GLY A 23 -17.273 4.335 -3.856 1.00 0.00 N ATOM 420 CA GLY A 23 -17.284 5.539 -3.081 1.00 0.00 C ATOM 421 C GLY A 23 -15.981 6.286 -3.287 1.00 0.00 C ATOM 422 O GLY A 23 -15.132 5.827 -4.060 1.00 0.00 O ATOM 0 H GLY A 23 -16.510 4.290 -4.532 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -18.125 6.166 -3.376 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -17.417 5.303 -2.025 1.00 0.00 H new ATOM 426 N PRO A 24 -15.780 7.428 -2.632 1.00 0.00 N ATOM 427 CA PRO A 24 -14.581 8.229 -2.791 1.00 0.00 C ATOM 428 C PRO A 24 -13.429 7.774 -1.880 1.00 0.00 C ATOM 429 O PRO A 24 -13.450 7.999 -0.651 1.00 0.00 O ATOM 430 CB PRO A 24 -15.044 9.649 -2.404 1.00 0.00 C ATOM 431 CG PRO A 24 -16.471 9.510 -1.948 1.00 0.00 C ATOM 432 CD PRO A 24 -16.702 8.051 -1.697 1.00 0.00 C ATOM 0 HA PRO A 24 -14.181 8.152 -3.802 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -14.419 10.061 -1.611 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -14.970 10.328 -3.253 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -16.646 10.091 -1.043 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -17.158 9.886 -2.706 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -16.483 7.776 -0.665 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -17.735 7.763 -1.891 1.00 0.00 H new ATOM 440 N ILE A 25 -12.449 7.126 -2.460 1.00 0.00 N ATOM 441 CA ILE A 25 -11.294 6.673 -1.717 1.00 0.00 C ATOM 442 C ILE A 25 -10.098 7.568 -2.002 1.00 0.00 C ATOM 443 O ILE A 25 -10.098 8.320 -2.988 1.00 0.00 O ATOM 444 CB ILE A 25 -10.965 5.146 -1.962 1.00 0.00 C ATOM 445 CG1 ILE A 25 -10.776 4.772 -3.463 1.00 0.00 C ATOM 446 CG2 ILE A 25 -12.029 4.260 -1.334 1.00 0.00 C ATOM 447 CD1 ILE A 25 -9.461 5.202 -4.095 1.00 0.00 C ATOM 0 H ILE A 25 -12.427 6.898 -3.454 1.00 0.00 H new ATOM 0 HA ILE A 25 -11.536 6.752 -0.657 1.00 0.00 H new ATOM 0 HB ILE A 25 -10.004 4.971 -1.479 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -10.868 3.690 -3.562 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -11.593 5.215 -4.033 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -11.784 3.213 -1.514 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -12.068 4.444 -0.260 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -12.999 4.487 -1.777 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -9.440 4.889 -5.139 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -9.368 6.287 -4.039 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -8.632 4.739 -3.561 1.00 0.00 H new ATOM 459 N GLN A 26 -9.116 7.527 -1.140 1.00 0.00 N ATOM 460 CA GLN A 26 -7.896 8.292 -1.310 1.00 0.00 C ATOM 461 C GLN A 26 -6.708 7.413 -1.041 1.00 0.00 C ATOM 462 O GLN A 26 -6.104 6.886 -1.962 1.00 0.00 O ATOM 463 CB GLN A 26 -7.871 9.510 -0.371 1.00 0.00 C ATOM 464 CG GLN A 26 -8.906 10.569 -0.695 1.00 0.00 C ATOM 465 CD GLN A 26 -8.633 11.314 -1.996 1.00 0.00 C ATOM 466 OE1 GLN A 26 -8.012 10.790 -2.936 1.00 0.00 O ATOM 467 NE2 GLN A 26 -9.116 12.516 -2.077 1.00 0.00 N ATOM 0 H GLN A 26 -9.135 6.960 -0.293 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.857 8.655 -2.337 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -8.026 9.168 0.652 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -6.880 9.963 -0.409 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.888 10.099 -0.755 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.946 11.288 0.123 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.621 12.917 -1.287 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -8.991 13.060 -2.931 1.00 0.00 H new ATOM 476 N VAL A 27 -6.417 7.263 0.236 1.00 0.00 N ATOM 477 CA VAL A 27 -5.382 6.432 0.851 1.00 0.00 C ATOM 478 C VAL A 27 -5.497 6.682 2.315 1.00 0.00 C ATOM 479 O VAL A 27 -5.981 7.741 2.715 1.00 0.00 O ATOM 480 CB VAL A 27 -3.878 6.753 0.459 1.00 0.00 C ATOM 481 CG1 VAL A 27 -3.449 6.128 -0.848 1.00 0.00 C ATOM 482 CG2 VAL A 27 -3.601 8.251 0.454 1.00 0.00 C ATOM 0 H VAL A 27 -6.948 7.767 0.946 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.559 5.413 0.508 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.273 6.292 1.239 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.411 6.389 -1.053 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.544 5.044 -0.782 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -4.082 6.499 -1.654 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.561 8.428 0.181 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.254 8.739 -0.269 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.790 8.659 1.447 1.00 0.00 H new ATOM 492 N ILE A 28 -5.119 5.747 3.101 1.00 0.00 N ATOM 493 CA ILE A 28 -5.094 5.960 4.528 1.00 0.00 C ATOM 494 C ILE A 28 -3.661 6.274 4.910 1.00 0.00 C ATOM 495 O ILE A 28 -3.376 7.219 5.635 1.00 0.00 O ATOM 496 CB ILE A 28 -5.539 4.696 5.309 1.00 0.00 C ATOM 497 CG1 ILE A 28 -6.890 4.159 4.799 1.00 0.00 C ATOM 498 CG2 ILE A 28 -5.613 4.994 6.806 1.00 0.00 C ATOM 499 CD1 ILE A 28 -8.049 5.119 4.935 1.00 0.00 C ATOM 0 H ILE A 28 -4.819 4.820 2.798 1.00 0.00 H new ATOM 0 HA ILE A 28 -5.780 6.769 4.778 1.00 0.00 H new ATOM 0 HB ILE A 28 -4.791 3.921 5.139 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -6.783 3.888 3.749 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -7.129 3.245 5.342 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.927 4.097 7.340 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -4.632 5.305 7.164 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.334 5.792 6.983 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -8.955 4.652 4.550 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -8.190 5.373 5.986 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -7.839 6.026 4.368 1.00 0.00 H new ATOM 511 N HIS A 29 -2.772 5.484 4.353 1.00 0.00 N ATOM 512 CA HIS A 29 -1.330 5.540 4.569 1.00 0.00 C ATOM 513 C HIS A 29 -0.702 4.824 3.428 1.00 0.00 C ATOM 514 O HIS A 29 -1.408 4.373 2.509 1.00 0.00 O ATOM 515 CB HIS A 29 -0.891 4.814 5.862 1.00 0.00 C ATOM 516 CG HIS A 29 -1.158 5.534 7.155 1.00 0.00 C ATOM 517 ND1 HIS A 29 -0.237 6.355 7.760 1.00 0.00 N ATOM 518 CD2 HIS A 29 -2.233 5.539 7.964 1.00 0.00 C ATOM 519 CE1 HIS A 29 -0.737 6.831 8.872 1.00 0.00 C ATOM 520 NE2 HIS A 29 -1.945 6.351 9.019 1.00 0.00 N ATOM 0 H HIS A 29 -3.041 4.745 3.703 1.00 0.00 H new ATOM 0 HA HIS A 29 -1.032 6.585 4.653 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -1.393 3.847 5.899 1.00 0.00 H new ATOM 0 HB3 HIS A 29 0.179 4.615 5.796 1.00 0.00 H new ATOM 0 HD1 HIS A 29 0.694 6.562 7.398 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -3.155 4.999 7.806 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -0.237 7.505 9.552 1.00 0.00 H new ATOM 529 N LEU A 30 0.572 4.709 3.464 1.00 0.00 N ATOM 530 CA LEU A 30 1.269 3.962 2.504 1.00 0.00 C ATOM 531 C LEU A 30 1.762 2.682 3.165 1.00 0.00 C ATOM 532 O LEU A 30 2.364 2.711 4.251 1.00 0.00 O ATOM 533 CB LEU A 30 2.431 4.773 1.948 1.00 0.00 C ATOM 534 CG LEU A 30 3.176 4.140 0.791 1.00 0.00 C ATOM 535 CD1 LEU A 30 2.224 3.907 -0.357 1.00 0.00 C ATOM 536 CD2 LEU A 30 4.323 5.021 0.363 1.00 0.00 C ATOM 0 H LEU A 30 1.164 5.140 4.174 1.00 0.00 H new ATOM 0 HA LEU A 30 0.615 3.713 1.668 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.052 5.743 1.626 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.140 4.959 2.755 1.00 0.00 H new ATOM 0 HG LEU A 30 3.586 3.181 1.108 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.762 3.452 -1.189 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.422 3.242 -0.036 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.800 4.859 -0.677 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.850 4.554 -0.469 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.939 5.992 0.050 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.010 5.155 1.198 1.00 0.00 H new ATOM 548 N ALA A 31 1.451 1.578 2.565 1.00 0.00 N ATOM 549 CA ALA A 31 1.902 0.307 3.033 1.00 0.00 C ATOM 550 C ALA A 31 3.029 -0.182 2.139 1.00 0.00 C ATOM 551 O ALA A 31 3.365 0.438 1.133 1.00 0.00 O ATOM 552 CB ALA A 31 0.742 -0.679 3.065 1.00 0.00 C ATOM 0 H ALA A 31 0.871 1.533 1.727 1.00 0.00 H new ATOM 0 HA ALA A 31 2.284 0.397 4.050 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.096 -1.646 3.423 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -0.034 -0.306 3.733 1.00 0.00 H new ATOM 0 HB3 ALA A 31 0.333 -0.792 2.061 1.00 0.00 H new ATOM 558 N LYS A 32 3.658 -1.196 2.558 1.00 0.00 N ATOM 559 CA LYS A 32 4.675 -1.840 1.856 1.00 0.00 C ATOM 560 C LYS A 32 4.638 -3.229 2.316 1.00 0.00 C ATOM 561 O LYS A 32 4.894 -3.509 3.486 1.00 0.00 O ATOM 562 CB LYS A 32 6.082 -1.192 1.965 1.00 0.00 C ATOM 563 CG LYS A 32 6.632 -0.965 3.360 1.00 0.00 C ATOM 564 CD LYS A 32 8.085 -0.533 3.277 1.00 0.00 C ATOM 565 CE LYS A 32 8.677 -0.237 4.643 1.00 0.00 C ATOM 566 NZ LYS A 32 8.116 0.985 5.241 1.00 0.00 N ATOM 0 H LYS A 32 3.462 -1.627 3.462 1.00 0.00 H new ATOM 0 HA LYS A 32 4.493 -1.756 0.785 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.787 -1.821 1.422 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.052 -0.230 1.453 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.045 -0.203 3.872 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.548 -1.880 3.947 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.668 -1.317 2.793 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.162 0.355 2.650 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.493 -1.082 5.307 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.758 -0.132 4.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.621 1.203 6.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.223 1.778 4.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.107 0.839 5.446 1.00 0.00 H new ATOM 580 N ALA A 33 4.174 -4.053 1.481 1.00 0.00 N ATOM 581 CA ALA A 33 4.051 -5.435 1.775 1.00 0.00 C ATOM 582 C ALA A 33 5.404 -6.031 2.017 1.00 0.00 C ATOM 583 O ALA A 33 6.374 -5.709 1.319 1.00 0.00 O ATOM 584 CB ALA A 33 3.287 -6.142 0.684 1.00 0.00 C ATOM 0 H ALA A 33 3.857 -3.794 0.547 1.00 0.00 H new ATOM 0 HA ALA A 33 3.475 -5.563 2.692 1.00 0.00 H new ATOM 0 HB1 ALA A 33 3.203 -7.201 0.927 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.290 -5.709 0.598 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.815 -6.028 -0.263 1.00 0.00 H new ATOM 590 N CYS A 34 5.494 -6.815 3.019 1.00 0.00 N ATOM 591 CA CYS A 34 6.723 -7.404 3.381 1.00 0.00 C ATOM 592 C CYS A 34 6.607 -8.846 3.124 1.00 0.00 C ATOM 593 O CYS A 34 5.510 -9.341 2.809 1.00 0.00 O ATOM 594 CB CYS A 34 6.990 -7.258 4.893 1.00 0.00 C ATOM 595 SG CYS A 34 6.107 -8.507 5.952 1.00 0.00 S ATOM 0 H CYS A 34 4.709 -7.070 3.618 1.00 0.00 H new ATOM 0 HA CYS A 34 7.522 -6.922 2.817 1.00 0.00 H new ATOM 0 HB2 CYS A 34 8.062 -7.342 5.070 1.00 0.00 H new ATOM 0 HB3 CYS A 34 6.693 -6.258 5.207 1.00 0.00 H new ATOM 600 N CYS A 35 7.717 -9.515 3.272 1.00 0.00 N ATOM 601 CA CYS A 35 7.775 -10.929 3.374 1.00 0.00 C ATOM 602 C CYS A 35 7.169 -11.691 2.148 1.00 0.00 C ATOM 603 O CYS A 35 6.734 -11.109 1.143 1.00 0.00 O ATOM 604 CB CYS A 35 7.017 -11.277 4.686 1.00 0.00 C ATOM 605 SG CYS A 35 7.407 -10.129 6.116 1.00 0.00 S ATOM 0 H CYS A 35 8.631 -9.066 3.326 1.00 0.00 H new ATOM 0 HA CYS A 35 8.815 -11.254 3.387 1.00 0.00 H new ATOM 0 HB2 CYS A 35 5.945 -11.249 4.493 1.00 0.00 H new ATOM 0 HB3 CYS A 35 7.262 -12.299 4.976 1.00 0.00 H new ATOM 610 N ASP A 36 7.287 -12.972 2.184 1.00 0.00 N ATOM 611 CA ASP A 36 6.533 -13.839 1.285 1.00 0.00 C ATOM 612 C ASP A 36 5.260 -14.270 1.975 1.00 0.00 C ATOM 613 O ASP A 36 5.245 -15.200 2.783 1.00 0.00 O ATOM 614 CB ASP A 36 7.335 -15.054 0.781 1.00 0.00 C ATOM 615 CG ASP A 36 8.179 -14.745 -0.437 1.00 0.00 C ATOM 616 OD1 ASP A 36 9.295 -14.199 -0.294 1.00 0.00 O ATOM 617 OD2 ASP A 36 7.728 -15.021 -1.577 1.00 0.00 O ATOM 0 H ASP A 36 7.902 -13.468 2.829 1.00 0.00 H new ATOM 0 HA ASP A 36 6.299 -13.263 0.390 1.00 0.00 H new ATOM 0 HB2 ASP A 36 7.981 -15.413 1.582 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.645 -15.863 0.542 1.00 0.00 H new ATOM 622 N VAL A 37 4.225 -13.542 1.689 1.00 0.00 N ATOM 623 CA VAL A 37 2.897 -13.695 2.281 1.00 0.00 C ATOM 624 C VAL A 37 2.046 -14.656 1.480 1.00 0.00 C ATOM 625 O VAL A 37 2.350 -14.922 0.307 1.00 0.00 O ATOM 626 CB VAL A 37 2.159 -12.354 2.358 1.00 0.00 C ATOM 627 CG1 VAL A 37 2.948 -11.350 3.173 1.00 0.00 C ATOM 628 CG2 VAL A 37 1.888 -11.826 0.968 1.00 0.00 C ATOM 0 H VAL A 37 4.267 -12.785 1.007 1.00 0.00 H new ATOM 0 HA VAL A 37 3.051 -14.087 3.286 1.00 0.00 H new ATOM 0 HB VAL A 37 1.204 -12.513 2.859 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.404 -10.406 3.213 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.088 -11.732 4.184 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.921 -11.189 2.709 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.363 -10.873 1.037 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.832 -11.683 0.442 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.273 -12.540 0.421 1.00 0.00 H new ATOM 638 N LYS A 38 1.035 -15.235 2.117 1.00 0.00 N ATOM 639 CA LYS A 38 0.118 -16.112 1.423 1.00 0.00 C ATOM 640 C LYS A 38 -0.531 -15.413 0.227 1.00 0.00 C ATOM 641 O LYS A 38 -0.640 -16.024 -0.835 1.00 0.00 O ATOM 642 CB LYS A 38 -0.920 -16.781 2.352 1.00 0.00 C ATOM 643 CG LYS A 38 -1.778 -15.830 3.175 1.00 0.00 C ATOM 644 CD LYS A 38 -2.778 -16.585 4.043 1.00 0.00 C ATOM 645 CE LYS A 38 -3.827 -17.306 3.216 1.00 0.00 C ATOM 646 NZ LYS A 38 -4.771 -16.377 2.559 1.00 0.00 N ATOM 0 H LYS A 38 0.835 -15.110 3.109 1.00 0.00 H new ATOM 0 HA LYS A 38 0.720 -16.933 1.033 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.578 -17.401 1.744 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.393 -17.449 3.034 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.137 -15.216 3.808 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -2.312 -15.152 2.509 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -2.246 -17.308 4.662 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.269 -15.886 4.720 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.332 -17.912 2.457 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -4.383 -17.990 3.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.688 -16.410 3.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.391 -15.410 2.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.898 -16.657 1.565 1.00 0.00 H new ATOM 660 N GLY A 39 -0.914 -14.124 0.391 1.00 0.00 N ATOM 661 CA GLY A 39 -1.442 -13.346 -0.749 1.00 0.00 C ATOM 662 C GLY A 39 -2.595 -14.023 -1.476 1.00 0.00 C ATOM 663 O GLY A 39 -2.601 -14.078 -2.709 1.00 0.00 O ATOM 0 H GLY A 39 -0.869 -13.616 1.274 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.774 -12.372 -0.389 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.634 -13.165 -1.458 1.00 0.00 H new ATOM 667 N GLY A 40 -3.509 -14.579 -0.697 1.00 0.00 N ATOM 668 CA GLY A 40 -4.629 -15.393 -1.179 1.00 0.00 C ATOM 669 C GLY A 40 -5.520 -14.774 -2.262 1.00 0.00 C ATOM 670 O GLY A 40 -5.288 -13.664 -2.738 1.00 0.00 O ATOM 0 H GLY A 40 -3.498 -14.478 0.318 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.226 -16.329 -1.565 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.258 -15.645 -0.325 1.00 0.00 H new ATOM 674 N LYS A 41 -6.594 -15.477 -2.582 1.00 0.00 N ATOM 675 CA LYS A 41 -7.468 -15.140 -3.709 1.00 0.00 C ATOM 676 C LYS A 41 -8.153 -13.786 -3.550 1.00 0.00 C ATOM 677 O LYS A 41 -8.336 -13.043 -4.528 1.00 0.00 O ATOM 678 CB LYS A 41 -8.496 -16.246 -3.929 1.00 0.00 C ATOM 679 CG LYS A 41 -7.868 -17.607 -4.180 1.00 0.00 C ATOM 680 CD LYS A 41 -8.915 -18.678 -4.415 1.00 0.00 C ATOM 681 CE LYS A 41 -8.273 -20.034 -4.677 1.00 0.00 C ATOM 682 NZ LYS A 41 -7.346 -19.998 -5.829 1.00 0.00 N ATOM 0 H LYS A 41 -6.892 -16.305 -2.067 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.832 -15.059 -4.590 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.145 -16.308 -3.056 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.127 -15.983 -4.778 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.208 -17.548 -5.046 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.250 -17.885 -3.326 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.570 -18.746 -3.546 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.539 -18.399 -5.264 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.732 -20.356 -3.787 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -9.052 -20.774 -4.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.130 -20.969 -6.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.789 -19.481 -6.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.466 -19.518 -5.552 1.00 0.00 H new ATOM 696 N ASN A 42 -8.528 -13.451 -2.341 1.00 0.00 N ATOM 697 CA ASN A 42 -9.144 -12.156 -2.101 1.00 0.00 C ATOM 698 C ASN A 42 -8.123 -11.203 -1.520 1.00 0.00 C ATOM 699 O ASN A 42 -8.411 -10.050 -1.237 1.00 0.00 O ATOM 700 CB ASN A 42 -10.400 -12.251 -1.204 1.00 0.00 C ATOM 701 CG ASN A 42 -10.134 -12.588 0.258 1.00 0.00 C ATOM 702 OD1 ASN A 42 -9.138 -13.238 0.610 1.00 0.00 O ATOM 703 ND2 ASN A 42 -11.039 -12.181 1.103 1.00 0.00 N ATOM 0 H ASN A 42 -8.423 -14.041 -1.515 1.00 0.00 H new ATOM 0 HA ASN A 42 -9.488 -11.769 -3.060 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -10.931 -11.300 -1.249 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -11.066 -13.008 -1.619 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -10.943 -12.395 2.096 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -11.843 -11.649 0.772 1.00 0.00 H new ATOM 710 N GLU A 43 -6.917 -11.680 -1.389 1.00 0.00 N ATOM 711 CA GLU A 43 -5.851 -10.887 -0.877 1.00 0.00 C ATOM 712 C GLU A 43 -5.083 -10.294 -2.034 1.00 0.00 C ATOM 713 O GLU A 43 -5.441 -10.509 -3.216 1.00 0.00 O ATOM 714 CB GLU A 43 -4.933 -11.706 0.020 1.00 0.00 C ATOM 715 CG GLU A 43 -5.632 -12.327 1.209 1.00 0.00 C ATOM 716 CD GLU A 43 -4.667 -12.917 2.190 1.00 0.00 C ATOM 717 OE1 GLU A 43 -4.010 -13.928 1.883 1.00 0.00 O ATOM 718 OE2 GLU A 43 -4.509 -12.345 3.279 1.00 0.00 O ATOM 0 H GLU A 43 -6.652 -12.633 -1.637 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.265 -10.086 -0.265 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.473 -12.497 -0.573 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.126 -11.066 0.378 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.237 -11.570 1.708 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.314 -13.103 0.862 1.00 0.00 H new ATOM 725 N LEU A 44 -4.082 -9.532 -1.738 1.00 0.00 N ATOM 726 CA LEU A 44 -3.301 -8.939 -2.772 1.00 0.00 C ATOM 727 C LEU A 44 -2.118 -9.803 -3.044 1.00 0.00 C ATOM 728 O LEU A 44 -1.445 -10.280 -2.127 1.00 0.00 O ATOM 729 CB LEU A 44 -2.820 -7.566 -2.377 1.00 0.00 C ATOM 730 CG LEU A 44 -2.980 -6.436 -3.397 1.00 0.00 C ATOM 731 CD1 LEU A 44 -2.539 -5.114 -2.787 1.00 0.00 C ATOM 732 CD2 LEU A 44 -2.195 -6.725 -4.666 1.00 0.00 C ATOM 0 H LEU A 44 -3.786 -9.306 -0.789 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.925 -8.845 -3.661 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.347 -7.275 -1.468 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.763 -7.641 -2.123 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.034 -6.367 -3.666 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.657 -4.317 -3.521 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.151 -4.895 -1.912 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.492 -5.182 -2.490 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.328 -5.905 -5.371 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.137 -6.827 -4.424 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.556 -7.651 -5.114 1.00 0.00 H new ATOM 744 N SER A 45 -1.869 -9.986 -4.277 1.00 0.00 N ATOM 745 CA SER A 45 -0.732 -10.722 -4.722 1.00 0.00 C ATOM 746 C SER A 45 0.449 -9.770 -4.793 1.00 0.00 C ATOM 747 O SER A 45 0.789 -9.232 -5.846 1.00 0.00 O ATOM 748 CB SER A 45 -1.011 -11.386 -6.068 1.00 0.00 C ATOM 749 OG SER A 45 -2.180 -12.210 -5.985 1.00 0.00 O ATOM 0 H SER A 45 -2.454 -9.626 -5.031 1.00 0.00 H new ATOM 0 HA SER A 45 -0.502 -11.526 -4.023 1.00 0.00 H new ATOM 0 HB2 SER A 45 -1.149 -10.624 -6.835 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.154 -11.989 -6.368 1.00 0.00 H new ATOM 0 HG SER A 45 -2.348 -12.628 -6.855 1.00 0.00 H new ATOM 755 N PHE A 46 0.964 -9.473 -3.640 1.00 0.00 N ATOM 756 CA PHE A 46 2.077 -8.596 -3.481 1.00 0.00 C ATOM 757 C PHE A 46 3.212 -9.355 -2.856 1.00 0.00 C ATOM 758 O PHE A 46 3.031 -10.516 -2.448 1.00 0.00 O ATOM 759 CB PHE A 46 1.692 -7.355 -2.629 1.00 0.00 C ATOM 760 CG PHE A 46 1.017 -7.638 -1.282 1.00 0.00 C ATOM 761 CD1 PHE A 46 1.469 -8.622 -0.428 1.00 0.00 C ATOM 762 CD2 PHE A 46 -0.064 -6.899 -0.883 1.00 0.00 C ATOM 763 CE1 PHE A 46 0.860 -8.853 0.776 1.00 0.00 C ATOM 764 CE2 PHE A 46 -0.678 -7.138 0.332 1.00 0.00 C ATOM 765 CZ PHE A 46 -0.204 -8.123 1.157 1.00 0.00 C ATOM 0 H PHE A 46 0.609 -9.846 -2.759 1.00 0.00 H new ATOM 0 HA PHE A 46 2.389 -8.227 -4.458 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.595 -6.774 -2.443 1.00 0.00 H new ATOM 0 HB3 PHE A 46 1.025 -6.728 -3.221 1.00 0.00 H new ATOM 0 HD1 PHE A 46 2.320 -9.222 -0.715 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.442 -6.118 -1.526 1.00 0.00 H new ATOM 0 HE1 PHE A 46 1.237 -9.629 1.426 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -1.532 -6.548 0.631 1.00 0.00 H new ATOM 0 HZ PHE A 46 -0.681 -8.313 2.107 1.00 0.00 H new ATOM 775 N LYS A 47 4.345 -8.722 -2.753 1.00 0.00 N ATOM 776 CA LYS A 47 5.501 -9.315 -2.161 1.00 0.00 C ATOM 777 C LYS A 47 6.274 -8.308 -1.312 1.00 0.00 C ATOM 778 O LYS A 47 5.875 -7.171 -1.143 1.00 0.00 O ATOM 779 CB LYS A 47 6.425 -9.975 -3.232 1.00 0.00 C ATOM 780 CG LYS A 47 5.894 -11.287 -3.810 1.00 0.00 C ATOM 781 CD LYS A 47 5.612 -12.292 -2.695 1.00 0.00 C ATOM 782 CE LYS A 47 5.111 -13.621 -3.219 1.00 0.00 C ATOM 783 NZ LYS A 47 6.161 -14.401 -3.903 1.00 0.00 N ATOM 0 H LYS A 47 4.490 -7.768 -3.083 1.00 0.00 H new ATOM 0 HA LYS A 47 5.151 -10.107 -1.499 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.575 -9.268 -4.048 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.402 -10.159 -2.786 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.982 -11.098 -4.376 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.621 -11.704 -4.507 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.523 -12.454 -2.118 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.873 -11.873 -2.012 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.713 -14.206 -2.390 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.287 -13.446 -3.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.740 -15.252 -4.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.595 -13.820 -4.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.888 -14.682 -3.215 1.00 0.00 H new ATOM 797 N GLN A 48 7.360 -8.772 -0.840 1.00 0.00 N ATOM 798 CA GLN A 48 8.296 -8.114 0.027 1.00 0.00 C ATOM 799 C GLN A 48 8.927 -6.937 -0.693 1.00 0.00 C ATOM 800 O GLN A 48 9.697 -7.110 -1.641 1.00 0.00 O ATOM 801 CB GLN A 48 9.388 -9.130 0.451 1.00 0.00 C ATOM 802 CG GLN A 48 10.487 -8.544 1.319 1.00 0.00 C ATOM 803 CD GLN A 48 11.583 -9.539 1.661 1.00 0.00 C ATOM 804 OE1 GLN A 48 11.885 -10.434 0.761 1.00 0.00 O flip ATOM 805 NE2 GLN A 48 12.193 -9.469 2.726 1.00 0.00 N flip ATOM 0 H GLN A 48 7.663 -9.720 -1.064 1.00 0.00 H new ATOM 0 HA GLN A 48 7.781 -7.742 0.913 1.00 0.00 H new ATOM 0 HB2 GLN A 48 8.914 -9.950 0.990 1.00 0.00 H new ATOM 0 HB3 GLN A 48 9.838 -9.556 -0.446 1.00 0.00 H new ATOM 0 HG2 GLN A 48 10.929 -7.691 0.805 1.00 0.00 H new ATOM 0 HG3 GLN A 48 10.048 -8.167 2.243 1.00 0.00 H new ATOM 0 HE21 GLN A 48 11.938 -8.760 3.414 1.00 0.00 H new ATOM 0 HE22 GLN A 48 12.954 -10.120 2.922 1.00 0.00 H new ATOM 814 N GLY A 49 8.548 -5.768 -0.289 1.00 0.00 N ATOM 815 CA GLY A 49 9.080 -4.565 -0.870 1.00 0.00 C ATOM 816 C GLY A 49 8.078 -3.920 -1.793 1.00 0.00 C ATOM 817 O GLY A 49 8.383 -2.940 -2.489 1.00 0.00 O ATOM 0 H GLY A 49 7.863 -5.614 0.451 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.354 -3.866 -0.080 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.991 -4.796 -1.422 1.00 0.00 H new ATOM 821 N GLU A 50 6.893 -4.482 -1.825 1.00 0.00 N ATOM 822 CA GLU A 50 5.831 -3.975 -2.639 1.00 0.00 C ATOM 823 C GLU A 50 5.139 -2.798 -2.021 1.00 0.00 C ATOM 824 O GLU A 50 4.483 -2.897 -0.989 1.00 0.00 O ATOM 825 CB GLU A 50 4.857 -5.059 -3.031 1.00 0.00 C ATOM 826 CG GLU A 50 5.279 -5.798 -4.290 1.00 0.00 C ATOM 827 CD GLU A 50 5.449 -4.849 -5.467 1.00 0.00 C ATOM 828 OE1 GLU A 50 4.451 -4.519 -6.135 1.00 0.00 O ATOM 829 OE2 GLU A 50 6.598 -4.411 -5.742 1.00 0.00 O ATOM 0 H GLU A 50 6.644 -5.308 -1.281 1.00 0.00 H new ATOM 0 HA GLU A 50 6.295 -3.610 -3.556 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.762 -5.771 -2.211 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.872 -4.618 -3.186 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.216 -6.323 -4.107 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.533 -6.554 -4.536 1.00 0.00 H new ATOM 836 N GLN A 51 5.251 -1.714 -2.700 1.00 0.00 N ATOM 837 CA GLN A 51 4.724 -0.472 -2.288 1.00 0.00 C ATOM 838 C GLN A 51 3.310 -0.433 -2.739 1.00 0.00 C ATOM 839 O GLN A 51 2.993 -0.238 -3.913 1.00 0.00 O ATOM 840 CB GLN A 51 5.507 0.672 -2.929 1.00 0.00 C ATOM 841 CG GLN A 51 5.021 2.065 -2.563 1.00 0.00 C ATOM 842 CD GLN A 51 5.724 3.148 -3.361 1.00 0.00 C ATOM 843 OE1 GLN A 51 6.958 2.912 -3.732 1.00 0.00 O flip ATOM 844 NE2 GLN A 51 5.152 4.200 -3.639 1.00 0.00 N flip ATOM 0 H GLN A 51 5.735 -1.671 -3.597 1.00 0.00 H new ATOM 0 HA GLN A 51 4.794 -0.360 -1.206 1.00 0.00 H new ATOM 0 HB2 GLN A 51 6.555 0.582 -2.642 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.463 0.561 -4.012 1.00 0.00 H new ATOM 0 HG2 GLN A 51 3.947 2.129 -2.735 1.00 0.00 H new ATOM 0 HG3 GLN A 51 5.184 2.237 -1.499 1.00 0.00 H new ATOM 0 HE21 GLN A 51 4.190 4.353 -3.335 1.00 0.00 H new ATOM 0 HE22 GLN A 51 5.639 4.920 -4.173 1.00 0.00 H new ATOM 853 N ILE A 52 2.522 -0.759 -1.841 1.00 0.00 N ATOM 854 CA ILE A 52 1.090 -0.716 -1.974 1.00 0.00 C ATOM 855 C ILE A 52 0.470 0.369 -1.112 1.00 0.00 C ATOM 856 O ILE A 52 1.048 0.821 -0.149 1.00 0.00 O ATOM 857 CB ILE A 52 0.479 -2.032 -1.570 1.00 0.00 C ATOM 858 CG1 ILE A 52 0.829 -2.353 -0.154 1.00 0.00 C ATOM 859 CG2 ILE A 52 0.941 -3.130 -2.473 1.00 0.00 C ATOM 860 CD1 ILE A 52 0.256 -3.619 0.265 1.00 0.00 C ATOM 0 H ILE A 52 2.833 -1.087 -0.927 1.00 0.00 H new ATOM 0 HA ILE A 52 0.885 -0.503 -3.023 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.604 -1.946 -1.656 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.913 -2.390 -0.046 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.471 -1.557 0.499 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.487 -4.071 -2.163 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.647 -2.906 -3.498 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.026 -3.215 -2.417 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.532 -3.819 1.300 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.830 -3.572 0.182 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.635 -4.418 -0.372 1.00 0.00 H new ATOM 872 N GLU A 53 -0.693 0.775 -1.451 1.00 0.00 N ATOM 873 CA GLU A 53 -1.363 1.776 -0.680 1.00 0.00 C ATOM 874 C GLU A 53 -2.635 1.187 -0.141 1.00 0.00 C ATOM 875 O GLU A 53 -3.354 0.512 -0.867 1.00 0.00 O ATOM 876 CB GLU A 53 -1.730 2.977 -1.540 1.00 0.00 C ATOM 877 CG GLU A 53 -0.642 3.500 -2.453 1.00 0.00 C ATOM 878 CD GLU A 53 -1.202 4.459 -3.472 1.00 0.00 C ATOM 879 OE1 GLU A 53 -2.117 4.068 -4.216 1.00 0.00 O ATOM 880 OE2 GLU A 53 -0.755 5.617 -3.553 1.00 0.00 O ATOM 0 H GLU A 53 -1.212 0.434 -2.260 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.698 2.101 0.120 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.592 2.710 -2.151 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.044 3.787 -0.882 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.124 4.000 -1.861 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.158 2.666 -2.962 1.00 0.00 H new ATOM 887 N ILE A 54 -2.906 1.403 1.115 1.00 0.00 N ATOM 888 CA ILE A 54 -4.188 0.971 1.643 1.00 0.00 C ATOM 889 C ILE A 54 -5.153 2.137 1.622 1.00 0.00 C ATOM 890 O ILE A 54 -4.782 3.281 1.942 1.00 0.00 O ATOM 891 CB ILE A 54 -4.149 0.285 3.059 1.00 0.00 C ATOM 892 CG1 ILE A 54 -3.930 1.275 4.218 1.00 0.00 C ATOM 893 CG2 ILE A 54 -3.061 -0.769 3.079 1.00 0.00 C ATOM 894 CD1 ILE A 54 -2.601 1.952 4.206 1.00 0.00 C ATOM 0 H ILE A 54 -2.285 1.860 1.782 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.529 0.173 0.984 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.130 -0.164 3.216 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -4.711 2.034 4.184 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -4.044 0.742 5.162 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.033 -1.245 4.059 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -3.268 -1.520 2.317 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.098 -0.301 2.875 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.531 2.631 5.056 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.811 1.204 4.273 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.488 2.516 3.280 1.00 0.00 H new ATOM 906 N ILE A 55 -6.353 1.872 1.207 1.00 0.00 N ATOM 907 CA ILE A 55 -7.359 2.903 1.056 1.00 0.00 C ATOM 908 C ILE A 55 -8.570 2.654 1.933 1.00 0.00 C ATOM 909 O ILE A 55 -9.549 3.415 1.898 1.00 0.00 O ATOM 910 CB ILE A 55 -7.796 3.163 -0.435 1.00 0.00 C ATOM 911 CG1 ILE A 55 -8.137 1.872 -1.205 1.00 0.00 C ATOM 912 CG2 ILE A 55 -6.730 3.936 -1.179 1.00 0.00 C ATOM 913 CD1 ILE A 55 -6.921 1.053 -1.633 1.00 0.00 C ATOM 0 H ILE A 55 -6.673 0.936 0.960 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.869 3.816 1.394 1.00 0.00 H new ATOM 0 HB ILE A 55 -8.711 3.754 -0.381 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -8.778 1.249 -0.580 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.714 2.134 -2.092 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -7.053 4.104 -2.206 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -6.567 4.895 -0.688 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.801 3.366 -1.179 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.252 0.163 -2.168 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.289 1.655 -2.286 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.353 0.756 -0.751 1.00 0.00 H new ATOM 925 N ARG A 56 -8.500 1.613 2.735 1.00 0.00 N ATOM 926 CA ARG A 56 -9.552 1.313 3.670 1.00 0.00 C ATOM 927 C ARG A 56 -8.976 0.616 4.880 1.00 0.00 C ATOM 928 O ARG A 56 -8.074 -0.219 4.741 1.00 0.00 O ATOM 929 CB ARG A 56 -10.618 0.401 3.067 1.00 0.00 C ATOM 930 CG ARG A 56 -11.806 0.230 3.993 1.00 0.00 C ATOM 931 CD ARG A 56 -12.710 -0.872 3.570 1.00 0.00 C ATOM 932 NE ARG A 56 -13.945 -0.882 4.362 1.00 0.00 N ATOM 933 CZ ARG A 56 -15.000 -1.667 4.121 1.00 0.00 C ATOM 934 NH1 ARG A 56 -14.923 -2.631 3.218 1.00 0.00 N ATOM 935 NH2 ARG A 56 -16.107 -1.514 4.816 1.00 0.00 N ATOM 0 H ARG A 56 -7.718 0.959 2.754 1.00 0.00 H new ATOM 0 HA ARG A 56 -10.014 2.262 3.942 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.955 0.816 2.117 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.182 -0.575 2.852 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -11.448 0.033 5.004 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -12.369 1.162 4.030 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -12.954 -0.760 2.514 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -12.198 -1.828 3.679 1.00 0.00 H new ATOM 0 HE ARG A 56 -14.003 -0.243 5.155 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -14.056 -2.778 2.702 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -15.731 -3.227 3.038 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -16.160 -0.796 5.539 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -16.912 -2.113 4.632 1.00 0.00 H new ATOM 949 N ILE A 57 -9.489 0.952 6.039 1.00 0.00 N ATOM 950 CA ILE A 57 -9.125 0.293 7.261 1.00 0.00 C ATOM 951 C ILE A 57 -10.327 -0.523 7.671 1.00 0.00 C ATOM 952 O ILE A 57 -11.316 0.005 8.204 1.00 0.00 O ATOM 953 CB ILE A 57 -8.764 1.310 8.384 1.00 0.00 C ATOM 954 CG1 ILE A 57 -7.611 2.219 7.938 1.00 0.00 C ATOM 955 CG2 ILE A 57 -8.420 0.602 9.693 1.00 0.00 C ATOM 956 CD1 ILE A 57 -6.365 1.475 7.486 1.00 0.00 C ATOM 0 H ILE A 57 -10.176 1.697 6.157 1.00 0.00 H new ATOM 0 HA ILE A 57 -8.240 -0.325 7.108 1.00 0.00 H new ATOM 0 HB ILE A 57 -9.643 1.928 8.567 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -7.958 2.852 7.121 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -7.346 2.880 8.763 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -8.173 1.343 10.453 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -9.276 0.013 10.024 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -7.565 -0.056 9.537 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.601 2.193 7.188 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.989 0.863 8.306 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -6.611 0.835 6.639 1.00 0.00 H new ATOM 968 N THR A 58 -10.282 -1.760 7.326 1.00 0.00 N ATOM 969 CA THR A 58 -11.323 -2.686 7.589 1.00 0.00 C ATOM 970 C THR A 58 -11.226 -3.345 8.953 1.00 0.00 C ATOM 971 O THR A 58 -10.135 -3.692 9.429 1.00 0.00 O ATOM 972 CB THR A 58 -11.257 -3.747 6.527 1.00 0.00 C ATOM 973 OG1 THR A 58 -10.072 -3.528 5.733 1.00 0.00 O ATOM 974 CG2 THR A 58 -12.452 -3.677 5.653 1.00 0.00 C ATOM 0 H THR A 58 -9.488 -2.170 6.834 1.00 0.00 H new ATOM 0 HA THR A 58 -12.266 -2.140 7.582 1.00 0.00 H new ATOM 0 HB THR A 58 -11.225 -4.730 6.997 1.00 0.00 H new ATOM 0 HG1 THR A 58 -9.734 -4.388 5.406 1.00 0.00 H new ATOM 0 HG21 THR A 58 -12.390 -4.452 4.889 1.00 0.00 H new ATOM 0 HG22 THR A 58 -13.350 -3.829 6.252 1.00 0.00 H new ATOM 0 HG23 THR A 58 -12.496 -2.698 5.175 1.00 0.00 H new ATOM 1037 N GLY A 63 -10.297 -9.601 8.632 1.00 0.00 N ATOM 1038 CA GLY A 63 -9.160 -9.120 9.380 1.00 0.00 C ATOM 1039 C GLY A 63 -8.077 -8.648 8.464 1.00 0.00 C ATOM 1040 O GLY A 63 -6.884 -8.762 8.766 1.00 0.00 O ATOM 0 HA2 GLY A 63 -9.469 -8.305 10.034 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.779 -9.915 10.020 1.00 0.00 H new ATOM 1044 N LYS A 64 -8.487 -8.140 7.329 1.00 0.00 N ATOM 1045 CA LYS A 64 -7.567 -7.719 6.321 1.00 0.00 C ATOM 1046 C LYS A 64 -7.920 -6.331 5.901 1.00 0.00 C ATOM 1047 O LYS A 64 -9.089 -5.960 5.925 1.00 0.00 O ATOM 1048 CB LYS A 64 -7.668 -8.614 5.089 1.00 0.00 C ATOM 1049 CG LYS A 64 -7.583 -10.101 5.337 1.00 0.00 C ATOM 1050 CD LYS A 64 -6.262 -10.520 5.950 1.00 0.00 C ATOM 1051 CE LYS A 64 -6.241 -12.010 6.279 1.00 0.00 C ATOM 1052 NZ LYS A 64 -6.362 -12.862 5.080 1.00 0.00 N ATOM 0 H LYS A 64 -9.469 -8.010 7.085 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.558 -7.771 6.729 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.613 -8.403 4.589 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -6.873 -8.336 4.397 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -8.396 -10.402 5.998 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.725 -10.630 4.395 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.451 -10.288 5.260 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.083 -9.944 6.858 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -5.313 -12.250 6.797 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.057 -12.238 6.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -5.875 -13.766 5.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.367 -13.041 4.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -5.929 -12.380 4.266 1.00 0.00 H new ATOM 1066 N TRP A 65 -6.940 -5.584 5.519 1.00 0.00 N ATOM 1067 CA TRP A 65 -7.141 -4.248 5.009 1.00 0.00 C ATOM 1068 C TRP A 65 -7.214 -4.280 3.530 1.00 0.00 C ATOM 1069 O TRP A 65 -6.781 -5.236 2.914 1.00 0.00 O ATOM 1070 CB TRP A 65 -6.049 -3.298 5.455 1.00 0.00 C ATOM 1071 CG TRP A 65 -6.199 -2.878 6.865 1.00 0.00 C ATOM 1072 CD1 TRP A 65 -7.251 -3.148 7.684 1.00 0.00 C ATOM 1073 CD2 TRP A 65 -5.292 -2.089 7.610 1.00 0.00 C ATOM 1074 NE1 TRP A 65 -7.059 -2.580 8.896 1.00 0.00 N ATOM 1075 CE2 TRP A 65 -5.851 -1.918 8.887 1.00 0.00 C ATOM 1076 CE3 TRP A 65 -4.053 -1.507 7.324 1.00 0.00 C ATOM 1077 CZ2 TRP A 65 -5.215 -1.186 9.881 1.00 0.00 C ATOM 1078 CZ3 TRP A 65 -3.419 -0.785 8.301 1.00 0.00 C ATOM 1079 CH2 TRP A 65 -3.997 -0.625 9.572 1.00 0.00 C ATOM 0 H TRP A 65 -5.963 -5.876 5.548 1.00 0.00 H new ATOM 0 HA TRP A 65 -8.082 -3.877 5.416 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -5.079 -3.778 5.324 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -6.056 -2.416 4.815 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -8.116 -3.732 7.406 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -7.702 -2.633 9.686 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -3.603 -1.625 6.349 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -5.659 -1.062 10.858 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -2.461 -0.332 8.091 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -3.474 -0.050 10.322 1.00 0.00 H new ATOM 1090 N LEU A 66 -7.758 -3.265 2.957 1.00 0.00 N ATOM 1091 CA LEU A 66 -7.862 -3.219 1.544 1.00 0.00 C ATOM 1092 C LEU A 66 -6.779 -2.318 0.985 1.00 0.00 C ATOM 1093 O LEU A 66 -6.782 -1.081 1.187 1.00 0.00 O ATOM 1094 CB LEU A 66 -9.308 -2.849 1.106 1.00 0.00 C ATOM 1095 CG LEU A 66 -9.628 -2.810 -0.411 1.00 0.00 C ATOM 1096 CD1 LEU A 66 -9.252 -1.486 -1.011 1.00 0.00 C ATOM 1097 CD2 LEU A 66 -8.904 -3.928 -1.153 1.00 0.00 C ATOM 0 H LEU A 66 -8.138 -2.455 3.447 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.687 -4.206 1.116 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.989 -3.561 1.572 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.540 -1.868 1.520 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.703 -2.952 -0.517 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.488 -1.489 -2.075 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.811 -0.691 -0.517 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.184 -1.316 -0.877 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -9.146 -3.877 -2.214 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.828 -3.815 -1.021 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.219 -4.893 -0.755 1.00 0.00 H new ATOM 1109 N GLY A 67 -5.842 -2.951 0.339 1.00 0.00 N ATOM 1110 CA GLY A 67 -4.736 -2.289 -0.253 1.00 0.00 C ATOM 1111 C GLY A 67 -4.782 -2.413 -1.748 1.00 0.00 C ATOM 1112 O GLY A 67 -5.654 -3.081 -2.295 1.00 0.00 O ATOM 0 H GLY A 67 -5.834 -3.963 0.212 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.742 -1.236 0.030 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.806 -2.715 0.124 1.00 0.00 H new ATOM 1116 N ARG A 68 -3.868 -1.778 -2.387 1.00 0.00 N ATOM 1117 CA ARG A 68 -3.726 -1.795 -3.806 1.00 0.00 C ATOM 1118 C ARG A 68 -2.276 -1.550 -4.097 1.00 0.00 C ATOM 1119 O ARG A 68 -1.635 -0.839 -3.354 1.00 0.00 O ATOM 1120 CB ARG A 68 -4.581 -0.714 -4.478 1.00 0.00 C ATOM 1121 CG ARG A 68 -4.155 0.715 -4.186 1.00 0.00 C ATOM 1122 CD ARG A 68 -5.049 1.694 -4.891 1.00 0.00 C ATOM 1123 NE ARG A 68 -4.551 3.043 -4.795 1.00 0.00 N ATOM 1124 CZ ARG A 68 -5.091 4.105 -5.380 1.00 0.00 C ATOM 1125 NH1 ARG A 68 -6.266 4.022 -6.011 1.00 0.00 N ATOM 1126 NH2 ARG A 68 -4.449 5.253 -5.311 1.00 0.00 N ATOM 0 H ARG A 68 -3.165 -1.206 -1.919 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.064 -2.753 -4.201 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -4.557 -0.871 -5.556 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.616 -0.841 -4.160 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.186 0.896 -3.112 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.123 0.864 -4.504 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.138 1.414 -5.941 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -6.050 1.645 -4.462 1.00 0.00 H new ATOM 0 HE ARG A 68 -3.715 3.194 -4.231 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -6.763 3.132 -6.049 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.666 4.849 -6.455 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -3.559 5.311 -4.817 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -4.842 6.084 -5.752 1.00 0.00 H new ATOM 1140 N THR A 69 -1.762 -2.128 -5.122 1.00 0.00 N ATOM 1141 CA THR A 69 -0.386 -1.900 -5.496 1.00 0.00 C ATOM 1142 C THR A 69 -0.210 -0.504 -6.103 1.00 0.00 C ATOM 1143 O THR A 69 -1.190 0.253 -6.233 1.00 0.00 O ATOM 1144 CB THR A 69 0.061 -2.965 -6.492 1.00 0.00 C ATOM 1145 OG1 THR A 69 -0.860 -2.992 -7.599 1.00 0.00 O ATOM 1146 CG2 THR A 69 0.103 -4.324 -5.815 1.00 0.00 C ATOM 0 H THR A 69 -2.268 -2.771 -5.731 1.00 0.00 H new ATOM 0 HA THR A 69 0.232 -1.962 -4.600 1.00 0.00 H new ATOM 0 HB THR A 69 1.060 -2.727 -6.857 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.577 -3.674 -8.244 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.423 -5.079 -6.533 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.806 -4.294 -4.982 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.890 -4.576 -5.443 1.00 0.00 H new ATOM 1154 N ALA A 70 1.013 -0.156 -6.463 1.00 0.00 N ATOM 1155 CA ALA A 70 1.302 1.120 -7.109 1.00 0.00 C ATOM 1156 C ALA A 70 0.538 1.237 -8.437 1.00 0.00 C ATOM 1157 O ALA A 70 0.084 2.309 -8.813 1.00 0.00 O ATOM 1158 CB ALA A 70 2.799 1.277 -7.329 1.00 0.00 C ATOM 0 H ALA A 70 1.833 -0.745 -6.318 1.00 0.00 H new ATOM 0 HA ALA A 70 0.968 1.924 -6.454 1.00 0.00 H new ATOM 0 HB1 ALA A 70 2.997 2.234 -7.812 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.314 1.241 -6.369 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.160 0.468 -7.964 1.00 0.00 H new ATOM 1164 N ARG A 71 0.369 0.110 -9.123 1.00 0.00 N ATOM 1165 CA ARG A 71 -0.409 0.064 -10.364 1.00 0.00 C ATOM 1166 C ARG A 71 -1.912 -0.040 -10.084 1.00 0.00 C ATOM 1167 O ARG A 71 -2.735 -0.098 -11.010 1.00 0.00 O ATOM 1168 CB ARG A 71 0.056 -1.073 -11.256 1.00 0.00 C ATOM 1169 CG ARG A 71 1.456 -0.876 -11.794 1.00 0.00 C ATOM 1170 CD ARG A 71 1.931 -2.074 -12.586 1.00 0.00 C ATOM 1171 NE ARG A 71 2.084 -3.270 -11.746 1.00 0.00 N ATOM 1172 CZ ARG A 71 3.253 -3.890 -11.516 1.00 0.00 C ATOM 1173 NH1 ARG A 71 4.395 -3.346 -11.933 1.00 0.00 N ATOM 1174 NH2 ARG A 71 3.277 -5.025 -10.841 1.00 0.00 N ATOM 0 H ARG A 71 0.761 -0.789 -8.841 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.237 1.002 -10.892 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.018 -2.006 -10.694 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -0.636 -1.176 -12.092 1.00 0.00 H new ATOM 0 HG2 ARG A 71 1.480 0.010 -12.428 1.00 0.00 H new ATOM 0 HG3 ARG A 71 2.141 -0.694 -10.966 1.00 0.00 H new ATOM 0 HD2 ARG A 71 1.221 -2.283 -13.386 1.00 0.00 H new ATOM 0 HD3 ARG A 71 2.885 -1.840 -13.059 1.00 0.00 H new ATOM 0 HE ARG A 71 1.247 -3.655 -11.309 1.00 0.00 H new ATOM 0 HH11 ARG A 71 4.384 -2.455 -12.429 1.00 0.00 H new ATOM 0 HH12 ARG A 71 5.280 -3.820 -11.756 1.00 0.00 H new ATOM 0 HH21 ARG A 71 2.408 -5.431 -10.494 1.00 0.00 H new ATOM 0 HH22 ARG A 71 4.165 -5.496 -10.666 1.00 0.00 H new ATOM 1188 N GLY A 72 -2.258 -0.079 -8.818 1.00 0.00 N ATOM 1189 CA GLY A 72 -3.638 -0.052 -8.413 1.00 0.00 C ATOM 1190 C GLY A 72 -4.318 -1.400 -8.414 1.00 0.00 C ATOM 1191 O GLY A 72 -5.504 -1.481 -8.658 1.00 0.00 O ATOM 0 H GLY A 72 -1.593 -0.130 -8.047 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.701 0.372 -7.411 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -4.185 0.617 -9.077 1.00 0.00 H new ATOM 1195 N SER A 73 -3.601 -2.459 -8.171 1.00 0.00 N ATOM 1196 CA SER A 73 -4.214 -3.752 -8.090 1.00 0.00 C ATOM 1197 C SER A 73 -4.584 -3.999 -6.644 1.00 0.00 C ATOM 1198 O SER A 73 -3.726 -4.074 -5.779 1.00 0.00 O ATOM 1199 CB SER A 73 -3.281 -4.817 -8.654 1.00 0.00 C ATOM 1200 OG SER A 73 -2.915 -4.468 -9.997 1.00 0.00 O ATOM 0 H SER A 73 -2.591 -2.452 -8.026 1.00 0.00 H new ATOM 0 HA SER A 73 -5.121 -3.798 -8.693 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.389 -4.901 -8.033 1.00 0.00 H new ATOM 0 HB3 SER A 73 -3.772 -5.790 -8.640 1.00 0.00 H new ATOM 0 HG SER A 73 -2.314 -5.151 -10.360 1.00 0.00 H new ATOM 1206 N TYR A 74 -5.858 -4.041 -6.407 1.00 0.00 N ATOM 1207 CA TYR A 74 -6.432 -4.117 -5.062 1.00 0.00 C ATOM 1208 C TYR A 74 -6.464 -5.530 -4.506 1.00 0.00 C ATOM 1209 O TYR A 74 -6.657 -6.506 -5.249 1.00 0.00 O ATOM 1210 CB TYR A 74 -7.855 -3.544 -5.062 1.00 0.00 C ATOM 1211 CG TYR A 74 -7.936 -2.078 -5.412 1.00 0.00 C ATOM 1212 CD1 TYR A 74 -7.902 -1.646 -6.729 1.00 0.00 C ATOM 1213 CD2 TYR A 74 -8.050 -1.128 -4.425 1.00 0.00 C ATOM 1214 CE1 TYR A 74 -7.975 -0.304 -7.043 1.00 0.00 C ATOM 1215 CE2 TYR A 74 -8.125 0.211 -4.733 1.00 0.00 C ATOM 1216 CZ TYR A 74 -8.086 0.617 -6.037 1.00 0.00 C ATOM 1217 OH TYR A 74 -8.147 1.959 -6.335 1.00 0.00 O ATOM 0 H TYR A 74 -6.560 -4.024 -7.147 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.781 -3.527 -4.416 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -8.461 -4.108 -5.771 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -8.294 -3.695 -4.076 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -7.817 -2.373 -7.523 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.081 -1.438 -3.391 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -7.945 0.017 -8.074 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.215 0.942 -3.943 1.00 0.00 H new ATOM 0 HH TYR A 74 -8.453 2.455 -5.547 1.00 0.00 H new ATOM 1227 N GLY A 75 -6.266 -5.629 -3.208 1.00 0.00 N ATOM 1228 CA GLY A 75 -6.330 -6.903 -2.533 1.00 0.00 C ATOM 1229 C GLY A 75 -6.316 -6.753 -1.031 1.00 0.00 C ATOM 1230 O GLY A 75 -5.867 -5.722 -0.515 1.00 0.00 O ATOM 0 H GLY A 75 -6.059 -4.837 -2.599 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.236 -7.428 -2.836 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.486 -7.519 -2.843 1.00 0.00 H new ATOM 1234 N TYR A 76 -6.833 -7.753 -0.327 1.00 0.00 N ATOM 1235 CA TYR A 76 -6.799 -7.769 1.113 1.00 0.00 C ATOM 1236 C TYR A 76 -5.403 -8.012 1.653 1.00 0.00 C ATOM 1237 O TYR A 76 -4.605 -8.773 1.086 1.00 0.00 O ATOM 1238 CB TYR A 76 -7.809 -8.749 1.704 1.00 0.00 C ATOM 1239 CG TYR A 76 -9.214 -8.198 1.783 1.00 0.00 C ATOM 1240 CD1 TYR A 76 -9.427 -6.913 2.259 1.00 0.00 C ATOM 1241 CD2 TYR A 76 -10.317 -8.945 1.404 1.00 0.00 C ATOM 1242 CE1 TYR A 76 -10.685 -6.384 2.359 1.00 0.00 C ATOM 1243 CE2 TYR A 76 -11.594 -8.421 1.507 1.00 0.00 C ATOM 1244 CZ TYR A 76 -11.766 -7.135 1.988 1.00 0.00 C ATOM 1245 OH TYR A 76 -13.028 -6.601 2.098 1.00 0.00 O ATOM 0 H TYR A 76 -7.283 -8.567 -0.745 1.00 0.00 H new ATOM 0 HA TYR A 76 -7.096 -6.771 1.436 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -7.817 -9.657 1.101 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.483 -9.034 2.704 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -8.579 -6.315 2.558 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -10.179 -9.947 1.024 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -10.823 -5.379 2.729 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -12.450 -9.011 1.214 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.689 -7.258 1.794 1.00 0.00 H new ATOM 1255 N ILE A 77 -5.109 -7.347 2.726 1.00 0.00 N ATOM 1256 CA ILE A 77 -3.816 -7.386 3.327 1.00 0.00 C ATOM 1257 C ILE A 77 -3.921 -7.756 4.790 1.00 0.00 C ATOM 1258 O ILE A 77 -4.715 -7.164 5.513 1.00 0.00 O ATOM 1259 CB ILE A 77 -3.184 -5.979 3.296 1.00 0.00 C ATOM 1260 CG1 ILE A 77 -3.148 -5.405 1.900 1.00 0.00 C ATOM 1261 CG2 ILE A 77 -1.787 -6.048 3.825 1.00 0.00 C ATOM 1262 CD1 ILE A 77 -2.771 -3.963 1.866 1.00 0.00 C ATOM 0 H ILE A 77 -5.775 -6.751 3.217 1.00 0.00 H new ATOM 0 HA ILE A 77 -3.222 -8.115 2.776 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.801 -5.329 3.916 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.438 -5.973 1.299 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.128 -5.529 1.438 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.340 -5.054 3.803 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.804 -6.416 4.851 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.197 -6.725 3.207 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.764 -3.613 0.834 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -3.494 -3.384 2.440 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.779 -3.836 2.299 1.00 0.00 H new ATOM 1274 N LYS A 78 -3.155 -8.732 5.226 1.00 0.00 N ATOM 1275 CA LYS A 78 -3.000 -8.947 6.644 1.00 0.00 C ATOM 1276 C LYS A 78 -2.276 -7.724 7.154 1.00 0.00 C ATOM 1277 O LYS A 78 -1.350 -7.268 6.514 1.00 0.00 O ATOM 1278 CB LYS A 78 -2.117 -10.150 6.958 1.00 0.00 C ATOM 1279 CG LYS A 78 -2.565 -11.482 6.422 1.00 0.00 C ATOM 1280 CD LYS A 78 -1.644 -12.554 6.959 1.00 0.00 C ATOM 1281 CE LYS A 78 -2.026 -13.932 6.490 1.00 0.00 C ATOM 1282 NZ LYS A 78 -1.228 -14.959 7.179 1.00 0.00 N ATOM 0 H LYS A 78 -2.639 -9.378 4.629 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.977 -9.122 7.095 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.118 -9.948 6.572 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -2.029 -10.233 8.041 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.594 -11.683 6.721 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.545 -11.477 5.332 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.622 -12.339 6.648 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.658 -12.528 8.049 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.086 -14.103 6.676 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -1.875 -14.009 5.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -1.508 -15.902 6.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -0.219 -14.806 6.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.393 -14.897 8.204 1.00 0.00 H new ATOM 1296 N THR A 79 -2.620 -7.232 8.291 1.00 0.00 N ATOM 1297 CA THR A 79 -2.020 -5.998 8.774 1.00 0.00 C ATOM 1298 C THR A 79 -0.533 -6.181 9.138 1.00 0.00 C ATOM 1299 O THR A 79 0.195 -5.228 9.374 1.00 0.00 O ATOM 1300 CB THR A 79 -2.833 -5.433 9.945 1.00 0.00 C ATOM 1301 OG1 THR A 79 -2.889 -6.376 11.038 1.00 0.00 O ATOM 1302 CG2 THR A 79 -4.234 -5.187 9.470 1.00 0.00 C ATOM 0 H THR A 79 -3.310 -7.649 8.916 1.00 0.00 H new ATOM 0 HA THR A 79 -2.047 -5.271 7.963 1.00 0.00 H new ATOM 0 HB THR A 79 -2.359 -4.515 10.292 1.00 0.00 H new ATOM 0 HG1 THR A 79 -3.411 -5.993 11.774 1.00 0.00 H new ATOM 0 HG21 THR A 79 -4.830 -4.784 10.289 1.00 0.00 H new ATOM 0 HG22 THR A 79 -4.219 -4.473 8.647 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.672 -6.125 9.129 1.00 0.00 H new ATOM 1310 N THR A 80 -0.115 -7.420 9.137 1.00 0.00 N ATOM 1311 CA THR A 80 1.230 -7.808 9.416 1.00 0.00 C ATOM 1312 C THR A 80 1.945 -8.177 8.097 1.00 0.00 C ATOM 1313 O THR A 80 3.153 -8.374 8.063 1.00 0.00 O ATOM 1314 CB THR A 80 1.197 -9.019 10.361 1.00 0.00 C ATOM 1315 OG1 THR A 80 2.515 -9.464 10.740 1.00 0.00 O ATOM 1316 CG2 THR A 80 0.426 -10.161 9.714 1.00 0.00 C ATOM 0 H THR A 80 -0.729 -8.209 8.934 1.00 0.00 H new ATOM 0 HA THR A 80 1.773 -6.989 9.887 1.00 0.00 H new ATOM 0 HB THR A 80 0.693 -8.701 11.274 1.00 0.00 H new ATOM 0 HG1 THR A 80 3.163 -9.182 10.061 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.407 -11.016 10.390 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.595 -9.839 9.507 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.913 -10.446 8.782 1.00 0.00 H new ATOM 1324 N ALA A 81 1.176 -8.248 7.010 1.00 0.00 N ATOM 1325 CA ALA A 81 1.735 -8.580 5.695 1.00 0.00 C ATOM 1326 C ALA A 81 2.335 -7.338 5.085 1.00 0.00 C ATOM 1327 O ALA A 81 3.034 -7.395 4.087 1.00 0.00 O ATOM 1328 CB ALA A 81 0.682 -9.200 4.749 1.00 0.00 C ATOM 0 H ALA A 81 0.170 -8.081 7.011 1.00 0.00 H new ATOM 0 HA ALA A 81 2.509 -9.335 5.835 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.145 -9.428 3.789 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.291 -10.117 5.190 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.134 -8.493 4.600 1.00 0.00 H new ATOM 1334 N VAL A 82 2.052 -6.206 5.701 1.00 0.00 N ATOM 1335 CA VAL A 82 2.590 -4.943 5.257 1.00 0.00 C ATOM 1336 C VAL A 82 3.130 -4.166 6.396 1.00 0.00 C ATOM 1337 O VAL A 82 2.780 -4.395 7.556 1.00 0.00 O ATOM 1338 CB VAL A 82 1.584 -4.037 4.481 1.00 0.00 C ATOM 1339 CG1 VAL A 82 1.171 -4.689 3.222 1.00 0.00 C ATOM 1340 CG2 VAL A 82 0.355 -3.695 5.303 1.00 0.00 C ATOM 0 H VAL A 82 1.446 -6.140 6.519 1.00 0.00 H new ATOM 0 HA VAL A 82 3.378 -5.221 4.557 1.00 0.00 H new ATOM 0 HB VAL A 82 2.105 -3.105 4.263 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.469 -4.045 2.692 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.047 -4.862 2.598 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.691 -5.642 3.446 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.311 -3.063 4.716 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -0.165 -4.612 5.579 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.657 -3.163 6.205 1.00 0.00 H new ATOM 1350 N GLU A 83 3.987 -3.280 6.061 1.00 0.00 N ATOM 1351 CA GLU A 83 4.531 -2.349 6.945 1.00 0.00 C ATOM 1352 C GLU A 83 3.837 -1.040 6.623 1.00 0.00 C ATOM 1353 O GLU A 83 3.940 -0.525 5.505 1.00 0.00 O ATOM 1354 CB GLU A 83 6.038 -2.263 6.717 1.00 0.00 C ATOM 1355 CG GLU A 83 6.733 -3.618 6.793 1.00 0.00 C ATOM 1356 CD GLU A 83 8.212 -3.539 6.553 1.00 0.00 C ATOM 1357 OE1 GLU A 83 8.633 -3.436 5.392 1.00 0.00 O ATOM 1358 OE2 GLU A 83 8.990 -3.584 7.525 1.00 0.00 O ATOM 0 H GLU A 83 4.341 -3.187 5.109 1.00 0.00 H new ATOM 0 HA GLU A 83 4.385 -2.614 7.992 1.00 0.00 H new ATOM 0 HB2 GLU A 83 6.227 -1.819 5.740 1.00 0.00 H new ATOM 0 HB3 GLU A 83 6.474 -1.595 7.460 1.00 0.00 H new ATOM 0 HG2 GLU A 83 6.554 -4.056 7.775 1.00 0.00 H new ATOM 0 HG3 GLU A 83 6.288 -4.289 6.058 1.00 0.00 H new ATOM 1365 N ILE A 84 3.068 -0.593 7.534 1.00 0.00 N ATOM 1366 CA ILE A 84 2.272 0.618 7.406 1.00 0.00 C ATOM 1367 C ILE A 84 3.029 1.795 8.006 1.00 0.00 C ATOM 1368 O ILE A 84 3.633 1.662 9.074 1.00 0.00 O ATOM 1369 CB ILE A 84 0.912 0.414 8.140 1.00 0.00 C ATOM 1370 CG1 ILE A 84 0.046 -0.605 7.412 1.00 0.00 C ATOM 1371 CG2 ILE A 84 0.139 1.719 8.354 1.00 0.00 C ATOM 1372 CD1 ILE A 84 -0.494 -0.104 6.105 1.00 0.00 C ATOM 0 H ILE A 84 2.952 -1.058 8.434 1.00 0.00 H new ATOM 0 HA ILE A 84 2.082 0.828 6.353 1.00 0.00 H new ATOM 0 HB ILE A 84 1.158 0.030 9.130 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.632 -1.506 7.233 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.787 -0.889 8.056 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.798 1.507 8.870 1.00 0.00 H new ATOM 0 HG22 ILE A 84 0.738 2.402 8.956 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -0.074 2.178 7.389 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -1.102 -0.881 5.641 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.107 0.780 6.280 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.334 0.153 5.444 1.00 0.00 H new ATOM 1384 N ASP A 85 3.035 2.923 7.310 1.00 0.00 N ATOM 1385 CA ASP A 85 3.700 4.109 7.830 1.00 0.00 C ATOM 1386 C ASP A 85 2.847 4.755 8.878 1.00 0.00 C ATOM 1387 O ASP A 85 1.626 4.567 8.923 1.00 0.00 O ATOM 1388 CB ASP A 85 4.005 5.180 6.752 1.00 0.00 C ATOM 1389 CG ASP A 85 2.774 5.980 6.292 1.00 0.00 C ATOM 1390 OD1 ASP A 85 2.276 6.849 7.048 1.00 0.00 O ATOM 1391 OD2 ASP A 85 2.288 5.760 5.183 1.00 0.00 O ATOM 0 H ASP A 85 2.594 3.042 6.398 1.00 0.00 H new ATOM 0 HA ASP A 85 4.649 3.757 8.234 1.00 0.00 H new ATOM 0 HB2 ASP A 85 4.749 5.873 7.145 1.00 0.00 H new ATOM 0 HB3 ASP A 85 4.451 4.691 5.886 1.00 0.00 H new