USER MOD reduce.3.24.130724 H: found=0, std=0, add=563, rem=0, adj=16 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 Set 1.1: A 42 ASN : amide:sc= -0.108 K(o=-0.14,f=-7.9!) USER MOD Set 1.2: A 64 LYS NZ :NH3+ 157:sc= -0.0293 (180deg=-0.397) USER MOD Single : A 16 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.12) USER MOD Single : A 17 LYS NZ :NH3+ -166:sc=-0.00754 (180deg=-0.158) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 54:sc= 0.16 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 29 HIS : no HE2:sc= -0.284 K(o=-0.28,f=-4.7!) USER MOD Single : A 32 LYS NZ :NH3+ 153:sc= 0.127 (180deg=0.00547) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -171:sc=-0.00705 (180deg=-0.111) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0431) USER MOD Single : A 48 GLN : amide:sc= -0.642 K(o=-0.64,f=-0.052) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 144:sc= 0.569 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.328 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0.43 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=9.35e-06 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 244 N GLU A 14 -13.135 -4.610 -11.614 1.00 0.00 N ATOM 245 CA GLU A 14 -13.398 -5.859 -10.932 1.00 0.00 C ATOM 246 C GLU A 14 -13.172 -5.712 -9.425 1.00 0.00 C ATOM 247 O GLU A 14 -13.955 -6.223 -8.623 1.00 0.00 O ATOM 248 CB GLU A 14 -12.525 -6.981 -11.528 1.00 0.00 C ATOM 249 CG GLU A 14 -12.705 -8.348 -10.881 1.00 0.00 C ATOM 250 CD GLU A 14 -11.858 -9.416 -11.532 1.00 0.00 C ATOM 251 OE1 GLU A 14 -10.614 -9.372 -11.406 1.00 0.00 O ATOM 252 OE2 GLU A 14 -12.413 -10.345 -12.150 1.00 0.00 O ATOM 0 HA GLU A 14 -14.444 -6.129 -11.080 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -12.747 -7.067 -12.592 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -11.478 -6.690 -11.443 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -12.449 -8.282 -9.823 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -13.754 -8.637 -10.938 1.00 0.00 H new ATOM 259 N ILE A 15 -12.138 -4.958 -9.041 1.00 0.00 N ATOM 260 CA ILE A 15 -11.820 -4.750 -7.615 1.00 0.00 C ATOM 261 C ILE A 15 -12.980 -4.102 -6.870 1.00 0.00 C ATOM 262 O ILE A 15 -13.223 -4.398 -5.700 1.00 0.00 O ATOM 263 CB ILE A 15 -10.502 -3.921 -7.397 1.00 0.00 C ATOM 264 CG1 ILE A 15 -10.575 -2.508 -8.016 1.00 0.00 C ATOM 265 CG2 ILE A 15 -9.293 -4.664 -7.924 1.00 0.00 C ATOM 266 CD1 ILE A 15 -11.094 -1.418 -7.106 1.00 0.00 C ATOM 0 H ILE A 15 -11.508 -4.483 -9.687 1.00 0.00 H new ATOM 0 HA ILE A 15 -11.650 -5.744 -7.201 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.397 -3.796 -6.319 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -9.578 -2.228 -8.355 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -11.211 -2.551 -8.900 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -8.397 -4.065 -7.759 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.195 -5.616 -7.402 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -9.415 -4.847 -8.992 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -11.103 -0.469 -7.643 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -12.107 -1.663 -6.786 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -10.447 -1.335 -6.232 1.00 0.00 H new ATOM 278 N LYS A 16 -13.735 -3.275 -7.582 1.00 0.00 N ATOM 279 CA LYS A 16 -14.832 -2.556 -6.994 1.00 0.00 C ATOM 280 C LYS A 16 -15.995 -3.469 -6.689 1.00 0.00 C ATOM 281 O LYS A 16 -16.797 -3.164 -5.843 1.00 0.00 O ATOM 282 CB LYS A 16 -15.275 -1.382 -7.854 1.00 0.00 C ATOM 283 CG LYS A 16 -14.318 -0.211 -7.902 1.00 0.00 C ATOM 284 CD LYS A 16 -14.976 0.989 -8.559 1.00 0.00 C ATOM 285 CE LYS A 16 -13.996 2.125 -8.789 1.00 0.00 C ATOM 286 NZ LYS A 16 -13.012 1.790 -9.842 1.00 0.00 N ATOM 0 H LYS A 16 -13.597 -3.092 -8.576 1.00 0.00 H new ATOM 0 HA LYS A 16 -14.468 -2.149 -6.051 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -15.435 -1.740 -8.871 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -16.237 -1.027 -7.485 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -14.001 0.049 -6.892 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -13.421 -0.489 -8.456 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -15.410 0.687 -9.512 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -15.796 1.340 -7.933 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -14.541 3.025 -9.073 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -13.473 2.349 -7.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -12.504 2.651 -10.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -12.333 1.093 -9.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -13.507 1.390 -10.665 1.00 0.00 H new ATOM 300 N LYS A 17 -16.062 -4.581 -7.368 1.00 0.00 N ATOM 301 CA LYS A 17 -17.097 -5.568 -7.124 1.00 0.00 C ATOM 302 C LYS A 17 -16.588 -6.617 -6.147 1.00 0.00 C ATOM 303 O LYS A 17 -17.294 -7.014 -5.218 1.00 0.00 O ATOM 304 CB LYS A 17 -17.531 -6.214 -8.449 1.00 0.00 C ATOM 305 CG LYS A 17 -18.298 -5.264 -9.355 1.00 0.00 C ATOM 306 CD LYS A 17 -19.691 -5.005 -8.804 1.00 0.00 C ATOM 307 CE LYS A 17 -20.380 -3.837 -9.492 1.00 0.00 C ATOM 308 NZ LYS A 17 -19.755 -2.550 -9.128 1.00 0.00 N ATOM 0 H LYS A 17 -15.406 -4.835 -8.106 1.00 0.00 H new ATOM 0 HA LYS A 17 -17.966 -5.080 -6.683 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -16.648 -6.575 -8.976 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -18.153 -7.084 -8.235 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -17.756 -4.323 -9.445 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -18.370 -5.688 -10.357 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -20.298 -5.902 -8.923 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -19.624 -4.805 -7.735 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -20.335 -3.972 -10.573 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -21.434 -3.822 -9.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -20.379 -1.768 -9.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -19.605 -2.515 -8.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -18.840 -2.458 -9.614 1.00 0.00 H new ATOM 322 N LYS A 18 -15.335 -6.994 -6.327 1.00 0.00 N ATOM 323 CA LYS A 18 -14.684 -8.022 -5.531 1.00 0.00 C ATOM 324 C LYS A 18 -14.538 -7.600 -4.070 1.00 0.00 C ATOM 325 O LYS A 18 -14.768 -8.392 -3.163 1.00 0.00 O ATOM 326 CB LYS A 18 -13.316 -8.373 -6.155 1.00 0.00 C ATOM 327 CG LYS A 18 -12.576 -9.532 -5.483 1.00 0.00 C ATOM 328 CD LYS A 18 -11.370 -10.015 -6.306 1.00 0.00 C ATOM 329 CE LYS A 18 -10.310 -8.936 -6.498 1.00 0.00 C ATOM 330 NZ LYS A 18 -9.134 -9.419 -7.263 1.00 0.00 N ATOM 0 H LYS A 18 -14.730 -6.589 -7.042 1.00 0.00 H new ATOM 0 HA LYS A 18 -15.313 -8.912 -5.537 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.466 -8.618 -7.206 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -12.681 -7.488 -6.121 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -12.236 -9.219 -4.496 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -13.266 -10.362 -5.334 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -10.920 -10.875 -5.810 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.716 -10.355 -7.282 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.752 -8.086 -7.018 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.982 -8.577 -5.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -8.445 -8.647 -7.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -8.692 -10.213 -6.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -9.439 -9.737 -8.205 1.00 0.00 H new ATOM 344 N PHE A 19 -14.167 -6.359 -3.841 1.00 0.00 N ATOM 345 CA PHE A 19 -13.989 -5.864 -2.463 1.00 0.00 C ATOM 346 C PHE A 19 -15.039 -4.844 -2.110 1.00 0.00 C ATOM 347 O PHE A 19 -15.040 -4.296 -1.003 1.00 0.00 O ATOM 348 CB PHE A 19 -12.613 -5.234 -2.292 1.00 0.00 C ATOM 349 CG PHE A 19 -11.501 -6.138 -2.655 1.00 0.00 C ATOM 350 CD1 PHE A 19 -11.281 -7.282 -1.939 1.00 0.00 C ATOM 351 CD2 PHE A 19 -10.692 -5.860 -3.735 1.00 0.00 C ATOM 352 CE1 PHE A 19 -10.277 -8.135 -2.278 1.00 0.00 C ATOM 353 CE2 PHE A 19 -9.684 -6.715 -4.083 1.00 0.00 C ATOM 354 CZ PHE A 19 -9.476 -7.861 -3.348 1.00 0.00 C ATOM 0 H PHE A 19 -13.981 -5.670 -4.570 1.00 0.00 H new ATOM 0 HA PHE A 19 -14.086 -6.721 -1.796 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -12.555 -4.335 -2.906 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -12.492 -4.920 -1.255 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -11.913 -7.511 -1.093 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -10.855 -4.961 -4.310 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -10.113 -9.032 -1.699 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -9.053 -6.493 -4.931 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.681 -8.541 -3.618 1.00 0.00 H new ATOM 364 N LYS A 20 -15.924 -4.607 -3.058 1.00 0.00 N ATOM 365 CA LYS A 20 -16.971 -3.600 -2.967 1.00 0.00 C ATOM 366 C LYS A 20 -16.373 -2.246 -2.622 1.00 0.00 C ATOM 367 O LYS A 20 -16.455 -1.744 -1.500 1.00 0.00 O ATOM 368 CB LYS A 20 -18.111 -4.030 -2.049 1.00 0.00 C ATOM 369 CG LYS A 20 -19.358 -3.166 -2.121 1.00 0.00 C ATOM 370 CD LYS A 20 -20.490 -3.815 -1.349 1.00 0.00 C ATOM 371 CE LYS A 20 -20.809 -5.189 -1.925 1.00 0.00 C ATOM 372 NZ LYS A 20 -21.813 -5.909 -1.136 1.00 0.00 N ATOM 0 H LYS A 20 -15.938 -5.122 -3.938 1.00 0.00 H new ATOM 0 HA LYS A 20 -17.438 -3.494 -3.946 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -18.385 -5.057 -2.292 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -17.748 -4.032 -1.021 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -19.149 -2.178 -1.712 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -19.652 -3.024 -3.161 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -20.215 -3.909 -0.299 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -21.376 -3.182 -1.390 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -21.168 -5.076 -2.948 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -19.895 -5.781 -1.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -21.995 -6.837 -1.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -21.462 -6.042 -0.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -22.696 -5.359 -1.112 1.00 0.00 H new ATOM 386 N LEU A 21 -15.714 -1.704 -3.602 1.00 0.00 N ATOM 387 CA LEU A 21 -14.931 -0.495 -3.464 1.00 0.00 C ATOM 388 C LEU A 21 -15.545 0.634 -4.238 1.00 0.00 C ATOM 389 O LEU A 21 -14.895 1.643 -4.518 1.00 0.00 O ATOM 390 CB LEU A 21 -13.511 -0.763 -3.936 1.00 0.00 C ATOM 391 CG LEU A 21 -12.761 -1.810 -3.132 1.00 0.00 C ATOM 392 CD1 LEU A 21 -11.435 -2.114 -3.761 1.00 0.00 C ATOM 393 CD2 LEU A 21 -12.563 -1.336 -1.714 1.00 0.00 C ATOM 0 H LEU A 21 -15.700 -2.093 -4.545 1.00 0.00 H new ATOM 0 HA LEU A 21 -14.912 -0.200 -2.415 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -13.543 -1.080 -4.979 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -12.950 0.171 -3.904 1.00 0.00 H new ATOM 0 HG LEU A 21 -13.356 -2.723 -3.122 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -10.915 -2.867 -3.168 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.590 -2.492 -4.772 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -10.834 -1.205 -3.801 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -12.024 -2.096 -1.148 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -11.988 -0.410 -1.717 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -13.534 -1.159 -1.251 1.00 0.00 H new ATOM 405 N THR A 22 -16.776 0.454 -4.593 1.00 0.00 N ATOM 406 CA THR A 22 -17.536 1.437 -5.276 1.00 0.00 C ATOM 407 C THR A 22 -17.888 2.582 -4.334 1.00 0.00 C ATOM 408 O THR A 22 -18.850 2.498 -3.567 1.00 0.00 O ATOM 409 CB THR A 22 -18.789 0.767 -5.812 1.00 0.00 C ATOM 410 OG1 THR A 22 -19.184 -0.266 -4.869 1.00 0.00 O ATOM 411 CG2 THR A 22 -18.516 0.143 -7.160 1.00 0.00 C ATOM 0 H THR A 22 -17.290 -0.407 -4.408 1.00 0.00 H new ATOM 0 HA THR A 22 -16.962 1.860 -6.100 1.00 0.00 H new ATOM 0 HB THR A 22 -19.582 1.505 -5.930 1.00 0.00 H new ATOM 0 HG1 THR A 22 -19.270 0.124 -3.974 1.00 0.00 H new ATOM 0 HG21 THR A 22 -19.424 -0.333 -7.531 1.00 0.00 H new ATOM 0 HG22 THR A 22 -18.199 0.915 -7.861 1.00 0.00 H new ATOM 0 HG23 THR A 22 -17.728 -0.604 -7.062 1.00 0.00 H new ATOM 419 N GLY A 23 -17.082 3.610 -4.344 1.00 0.00 N ATOM 420 CA GLY A 23 -17.297 4.717 -3.474 1.00 0.00 C ATOM 421 C GLY A 23 -16.053 5.547 -3.311 1.00 0.00 C ATOM 422 O GLY A 23 -14.972 5.143 -3.772 1.00 0.00 O ATOM 0 H GLY A 23 -16.268 3.696 -4.952 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -18.100 5.339 -3.869 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -17.623 4.355 -2.499 1.00 0.00 H new ATOM 426 N PRO A 24 -16.170 6.717 -2.679 1.00 0.00 N ATOM 427 CA PRO A 24 -15.046 7.607 -2.453 1.00 0.00 C ATOM 428 C PRO A 24 -14.133 7.082 -1.358 1.00 0.00 C ATOM 429 O PRO A 24 -14.595 6.751 -0.260 1.00 0.00 O ATOM 430 CB PRO A 24 -15.701 8.931 -2.006 1.00 0.00 C ATOM 431 CG PRO A 24 -17.168 8.743 -2.213 1.00 0.00 C ATOM 432 CD PRO A 24 -17.410 7.273 -2.134 1.00 0.00 C ATOM 0 HA PRO A 24 -14.424 7.712 -3.342 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -15.477 9.146 -0.961 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -15.327 9.771 -2.592 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -17.740 9.274 -1.452 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -17.479 9.138 -3.180 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -17.586 6.945 -1.109 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -18.280 6.973 -2.718 1.00 0.00 H new ATOM 440 N ILE A 25 -12.857 6.996 -1.649 1.00 0.00 N ATOM 441 CA ILE A 25 -11.879 6.499 -0.696 1.00 0.00 C ATOM 442 C ILE A 25 -10.657 7.401 -0.635 1.00 0.00 C ATOM 443 O ILE A 25 -10.410 8.191 -1.558 1.00 0.00 O ATOM 444 CB ILE A 25 -11.472 4.988 -0.957 1.00 0.00 C ATOM 445 CG1 ILE A 25 -11.111 4.685 -2.440 1.00 0.00 C ATOM 446 CG2 ILE A 25 -12.551 4.032 -0.477 1.00 0.00 C ATOM 447 CD1 ILE A 25 -9.800 5.266 -2.939 1.00 0.00 C ATOM 0 H ILE A 25 -12.462 7.267 -2.550 1.00 0.00 H new ATOM 0 HA ILE A 25 -12.364 6.520 0.280 1.00 0.00 H new ATOM 0 HB ILE A 25 -10.565 4.829 -0.374 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -11.079 3.603 -2.572 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -11.916 5.060 -3.073 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -12.240 3.005 -0.671 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -12.708 4.168 0.593 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -13.481 4.236 -1.008 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -9.654 4.990 -3.983 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -9.826 6.352 -2.851 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -8.977 4.873 -2.342 1.00 0.00 H new ATOM 459 N GLN A 26 -9.925 7.312 0.439 1.00 0.00 N ATOM 460 CA GLN A 26 -8.692 8.051 0.621 1.00 0.00 C ATOM 461 C GLN A 26 -7.686 7.119 1.211 1.00 0.00 C ATOM 462 O GLN A 26 -8.057 6.245 1.991 1.00 0.00 O ATOM 463 CB GLN A 26 -8.863 9.233 1.579 1.00 0.00 C ATOM 464 CG GLN A 26 -9.785 10.326 1.100 1.00 0.00 C ATOM 465 CD GLN A 26 -9.804 11.507 2.045 1.00 0.00 C ATOM 466 OE1 GLN A 26 -9.629 11.362 3.254 1.00 0.00 O ATOM 467 NE2 GLN A 26 -9.976 12.678 1.508 1.00 0.00 N ATOM 0 H GLN A 26 -10.166 6.716 1.231 1.00 0.00 H new ATOM 0 HA GLN A 26 -8.380 8.443 -0.347 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.238 8.856 2.531 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.882 9.667 1.772 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.470 10.658 0.111 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -10.795 9.929 0.996 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -10.119 12.762 0.501 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -9.968 13.513 2.093 1.00 0.00 H new ATOM 476 N VAL A 27 -6.437 7.254 0.828 1.00 0.00 N ATOM 477 CA VAL A 27 -5.407 6.436 1.410 1.00 0.00 C ATOM 478 C VAL A 27 -5.173 6.895 2.855 1.00 0.00 C ATOM 479 O VAL A 27 -5.194 8.106 3.154 1.00 0.00 O ATOM 480 CB VAL A 27 -4.081 6.456 0.573 1.00 0.00 C ATOM 481 CG1 VAL A 27 -3.381 7.781 0.615 1.00 0.00 C ATOM 482 CG2 VAL A 27 -3.148 5.362 1.001 1.00 0.00 C ATOM 0 H VAL A 27 -6.115 7.917 0.123 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.739 5.398 1.406 1.00 0.00 H new ATOM 0 HB VAL A 27 -4.378 6.283 -0.461 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.471 7.731 0.017 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.038 8.552 0.212 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.125 8.025 1.646 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.239 5.404 0.401 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.895 5.491 2.053 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.632 4.395 0.860 1.00 0.00 H new ATOM 492 N ILE A 28 -5.027 5.964 3.746 1.00 0.00 N ATOM 493 CA ILE A 28 -4.864 6.297 5.143 1.00 0.00 C ATOM 494 C ILE A 28 -3.388 6.253 5.517 1.00 0.00 C ATOM 495 O ILE A 28 -2.905 7.069 6.297 1.00 0.00 O ATOM 496 CB ILE A 28 -5.692 5.334 6.045 1.00 0.00 C ATOM 497 CG1 ILE A 28 -7.163 5.288 5.569 1.00 0.00 C ATOM 498 CG2 ILE A 28 -5.626 5.766 7.514 1.00 0.00 C ATOM 499 CD1 ILE A 28 -7.881 6.626 5.615 1.00 0.00 C ATOM 0 H ILE A 28 -5.016 4.965 3.540 1.00 0.00 H new ATOM 0 HA ILE A 28 -5.238 7.308 5.307 1.00 0.00 H new ATOM 0 HB ILE A 28 -5.261 4.336 5.963 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.189 4.911 4.547 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -7.710 4.575 6.186 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.212 5.077 8.122 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -4.589 5.755 7.850 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.030 6.773 7.615 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -8.906 6.501 5.264 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.891 6.999 6.639 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -7.363 7.339 4.974 1.00 0.00 H new ATOM 511 N HIS A 29 -2.686 5.294 4.951 1.00 0.00 N ATOM 512 CA HIS A 29 -1.246 5.102 5.148 1.00 0.00 C ATOM 513 C HIS A 29 -0.741 4.409 3.922 1.00 0.00 C ATOM 514 O HIS A 29 -1.532 3.859 3.160 1.00 0.00 O ATOM 515 CB HIS A 29 -0.916 4.150 6.330 1.00 0.00 C ATOM 516 CG HIS A 29 -1.257 4.599 7.715 1.00 0.00 C ATOM 517 ND1 HIS A 29 -0.311 5.005 8.614 1.00 0.00 N ATOM 518 CD2 HIS A 29 -2.428 4.623 8.376 1.00 0.00 C ATOM 519 CE1 HIS A 29 -0.889 5.259 9.766 1.00 0.00 C ATOM 520 NE2 HIS A 29 -2.170 5.033 9.639 1.00 0.00 N ATOM 0 H HIS A 29 -3.101 4.605 4.324 1.00 0.00 H new ATOM 0 HA HIS A 29 -0.800 6.077 5.347 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -1.430 3.206 6.150 1.00 0.00 H new ATOM 0 HB3 HIS A 29 0.154 3.942 6.301 1.00 0.00 H new ATOM 0 HD1 HIS A 29 0.686 5.096 8.421 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -3.396 4.363 7.973 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -0.391 5.596 10.663 1.00 0.00 H new ATOM 529 N LEU A 30 0.524 4.409 3.720 1.00 0.00 N ATOM 530 CA LEU A 30 1.085 3.621 2.676 1.00 0.00 C ATOM 531 C LEU A 30 1.704 2.408 3.310 1.00 0.00 C ATOM 532 O LEU A 30 2.380 2.505 4.346 1.00 0.00 O ATOM 533 CB LEU A 30 2.097 4.390 1.791 1.00 0.00 C ATOM 534 CG LEU A 30 1.522 5.386 0.747 1.00 0.00 C ATOM 535 CD1 LEU A 30 0.780 6.551 1.384 1.00 0.00 C ATOM 536 CD2 LEU A 30 2.624 5.895 -0.166 1.00 0.00 C ATOM 0 H LEU A 30 1.198 4.947 4.264 1.00 0.00 H new ATOM 0 HA LEU A 30 0.292 3.334 1.986 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.768 4.942 2.449 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.704 3.657 1.259 1.00 0.00 H new ATOM 0 HG LEU A 30 0.791 4.833 0.158 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.402 7.212 0.604 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.054 6.172 1.974 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.460 7.105 2.031 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.203 6.592 -0.891 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.383 6.404 0.428 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.078 5.055 -0.691 1.00 0.00 H new ATOM 548 N ALA A 31 1.410 1.282 2.758 1.00 0.00 N ATOM 549 CA ALA A 31 1.915 0.045 3.253 1.00 0.00 C ATOM 550 C ALA A 31 3.035 -0.437 2.361 1.00 0.00 C ATOM 551 O ALA A 31 3.318 0.132 1.322 1.00 0.00 O ATOM 552 CB ALA A 31 0.790 -0.969 3.341 1.00 0.00 C ATOM 0 H ALA A 31 0.806 1.191 1.941 1.00 0.00 H new ATOM 0 HA ALA A 31 2.319 0.181 4.256 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.180 -1.914 3.720 1.00 0.00 H new ATOM 0 HB2 ALA A 31 0.018 -0.599 4.016 1.00 0.00 H new ATOM 0 HB3 ALA A 31 0.362 -1.124 2.351 1.00 0.00 H new ATOM 558 N LYS A 32 3.679 -1.440 2.770 1.00 0.00 N ATOM 559 CA LYS A 32 4.761 -1.986 2.075 1.00 0.00 C ATOM 560 C LYS A 32 4.770 -3.424 2.440 1.00 0.00 C ATOM 561 O LYS A 32 5.033 -3.787 3.589 1.00 0.00 O ATOM 562 CB LYS A 32 6.084 -1.215 2.367 1.00 0.00 C ATOM 563 CG LYS A 32 6.501 -1.145 3.826 1.00 0.00 C ATOM 564 CD LYS A 32 7.565 -0.083 4.073 1.00 0.00 C ATOM 565 CE LYS A 32 6.994 1.327 3.907 1.00 0.00 C ATOM 566 NZ LYS A 32 8.008 2.376 4.164 1.00 0.00 N ATOM 0 H LYS A 32 3.460 -1.929 3.638 1.00 0.00 H new ATOM 0 HA LYS A 32 4.668 -1.889 0.993 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.888 -1.685 1.801 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.980 -0.198 1.989 1.00 0.00 H new ATOM 0 HG2 LYS A 32 5.627 -0.931 4.441 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.881 -2.117 4.140 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.969 -0.198 5.079 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.393 -0.226 3.378 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.603 1.442 2.896 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.155 1.460 4.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.763 3.234 3.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.030 2.596 5.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.943 2.036 3.863 1.00 0.00 H new ATOM 580 N ALA A 33 4.296 -4.206 1.537 1.00 0.00 N ATOM 581 CA ALA A 33 4.177 -5.628 1.751 1.00 0.00 C ATOM 582 C ALA A 33 5.536 -6.248 1.934 1.00 0.00 C ATOM 583 O ALA A 33 6.371 -6.239 1.022 1.00 0.00 O ATOM 584 CB ALA A 33 3.351 -6.292 0.646 1.00 0.00 C ATOM 0 H ALA A 33 3.975 -3.890 0.622 1.00 0.00 H new ATOM 0 HA ALA A 33 3.626 -5.801 2.676 1.00 0.00 H new ATOM 0 HB1 ALA A 33 3.281 -7.363 0.838 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.350 -5.860 0.630 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.833 -6.127 -0.318 1.00 0.00 H new ATOM 590 N CYS A 34 5.777 -6.720 3.124 1.00 0.00 N ATOM 591 CA CYS A 34 7.034 -7.314 3.434 1.00 0.00 C ATOM 592 C CYS A 34 6.937 -8.737 3.313 1.00 0.00 C ATOM 593 O CYS A 34 5.861 -9.316 3.525 1.00 0.00 O ATOM 594 CB CYS A 34 7.512 -7.064 4.879 1.00 0.00 C ATOM 595 SG CYS A 34 9.116 -7.968 5.304 1.00 0.00 S ATOM 0 H CYS A 34 5.111 -6.702 3.896 1.00 0.00 H new ATOM 0 HA CYS A 34 7.737 -6.858 2.737 1.00 0.00 H new ATOM 0 HB2 CYS A 34 7.657 -5.994 5.026 1.00 0.00 H new ATOM 0 HB3 CYS A 34 6.732 -7.379 5.572 1.00 0.00 H new ATOM 600 N CYS A 35 8.053 -9.312 2.981 1.00 0.00 N ATOM 601 CA CYS A 35 8.266 -10.690 3.128 1.00 0.00 C ATOM 602 C CYS A 35 7.369 -11.495 2.145 1.00 0.00 C ATOM 603 O CYS A 35 6.650 -10.925 1.307 1.00 0.00 O ATOM 604 CB CYS A 35 7.956 -11.041 4.619 1.00 0.00 C ATOM 605 SG CYS A 35 8.659 -9.907 5.991 1.00 0.00 S ATOM 0 H CYS A 35 8.851 -8.809 2.592 1.00 0.00 H new ATOM 0 HA CYS A 35 9.295 -10.957 2.887 1.00 0.00 H new ATOM 0 HB2 CYS A 35 6.872 -11.068 4.735 1.00 0.00 H new ATOM 0 HB3 CYS A 35 8.322 -12.051 4.804 1.00 0.00 H new ATOM 610 N ASP A 36 7.461 -12.789 2.190 1.00 0.00 N ATOM 611 CA ASP A 36 6.579 -13.616 1.401 1.00 0.00 C ATOM 612 C ASP A 36 5.238 -13.715 2.108 1.00 0.00 C ATOM 613 O ASP A 36 5.109 -14.372 3.149 1.00 0.00 O ATOM 614 CB ASP A 36 7.174 -14.998 1.155 1.00 0.00 C ATOM 615 CG ASP A 36 6.281 -15.873 0.310 1.00 0.00 C ATOM 616 OD1 ASP A 36 6.104 -15.586 -0.889 1.00 0.00 O ATOM 617 OD2 ASP A 36 5.745 -16.876 0.828 1.00 0.00 O ATOM 0 H ASP A 36 8.134 -13.301 2.761 1.00 0.00 H new ATOM 0 HA ASP A 36 6.443 -13.157 0.422 1.00 0.00 H new ATOM 0 HB2 ASP A 36 8.141 -14.891 0.664 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.355 -15.487 2.112 1.00 0.00 H new ATOM 622 N VAL A 37 4.281 -13.013 1.579 1.00 0.00 N ATOM 623 CA VAL A 37 2.946 -12.910 2.149 1.00 0.00 C ATOM 624 C VAL A 37 2.056 -14.031 1.648 1.00 0.00 C ATOM 625 O VAL A 37 2.374 -14.662 0.639 1.00 0.00 O ATOM 626 CB VAL A 37 2.279 -11.544 1.843 1.00 0.00 C ATOM 627 CG1 VAL A 37 3.156 -10.398 2.296 1.00 0.00 C ATOM 628 CG2 VAL A 37 1.925 -11.402 0.378 1.00 0.00 C ATOM 0 H VAL A 37 4.397 -12.478 0.718 1.00 0.00 H new ATOM 0 HA VAL A 37 3.063 -12.993 3.229 1.00 0.00 H new ATOM 0 HB VAL A 37 1.348 -11.509 2.408 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.664 -9.452 2.069 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.324 -10.471 3.370 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.112 -10.444 1.775 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.460 -10.431 0.208 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.830 -11.481 -0.224 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.229 -12.192 0.094 1.00 0.00 H new ATOM 638 N LYS A 38 1.016 -14.348 2.411 1.00 0.00 N ATOM 639 CA LYS A 38 0.022 -15.350 2.007 1.00 0.00 C ATOM 640 C LYS A 38 -0.487 -14.998 0.633 1.00 0.00 C ATOM 641 O LYS A 38 -0.363 -15.787 -0.320 1.00 0.00 O ATOM 642 CB LYS A 38 -1.172 -15.350 2.965 1.00 0.00 C ATOM 643 CG LYS A 38 -0.825 -15.630 4.397 1.00 0.00 C ATOM 644 CD LYS A 38 -0.258 -17.028 4.574 1.00 0.00 C ATOM 645 CE LYS A 38 -1.261 -18.081 4.135 1.00 0.00 C ATOM 646 NZ LYS A 38 -0.746 -19.440 4.312 1.00 0.00 N ATOM 0 H LYS A 38 0.834 -13.925 3.321 1.00 0.00 H new ATOM 0 HA LYS A 38 0.494 -16.332 2.019 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.667 -14.380 2.908 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.892 -16.095 2.627 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.099 -14.896 4.746 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.715 -15.517 5.016 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.659 -17.129 3.993 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.008 -17.187 5.619 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.181 -17.965 4.707 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -1.516 -17.924 3.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.463 -20.126 4.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.118 -19.560 3.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -0.527 -19.600 5.316 1.00 0.00 H new ATOM 660 N GLY A 39 -1.036 -13.810 0.541 1.00 0.00 N ATOM 661 CA GLY A 39 -1.515 -13.302 -0.692 1.00 0.00 C ATOM 662 C GLY A 39 -2.629 -14.123 -1.265 1.00 0.00 C ATOM 663 O GLY A 39 -2.626 -14.418 -2.466 1.00 0.00 O ATOM 0 H GLY A 39 -1.157 -13.177 1.332 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.861 -12.278 -0.548 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.693 -13.263 -1.407 1.00 0.00 H new ATOM 667 N GLY A 40 -3.543 -14.546 -0.401 1.00 0.00 N ATOM 668 CA GLY A 40 -4.681 -15.378 -0.787 1.00 0.00 C ATOM 669 C GLY A 40 -5.522 -14.777 -1.909 1.00 0.00 C ATOM 670 O GLY A 40 -5.279 -13.656 -2.348 1.00 0.00 O ATOM 0 H GLY A 40 -3.518 -14.321 0.594 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.316 -16.356 -1.101 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.315 -15.540 0.085 1.00 0.00 H new ATOM 674 N LYS A 41 -6.544 -15.487 -2.333 1.00 0.00 N ATOM 675 CA LYS A 41 -7.333 -15.070 -3.481 1.00 0.00 C ATOM 676 C LYS A 41 -8.067 -13.744 -3.211 1.00 0.00 C ATOM 677 O LYS A 41 -8.229 -12.924 -4.116 1.00 0.00 O ATOM 678 CB LYS A 41 -8.302 -16.183 -3.912 1.00 0.00 C ATOM 679 CG LYS A 41 -9.016 -15.919 -5.230 1.00 0.00 C ATOM 680 CD LYS A 41 -8.030 -15.803 -6.390 1.00 0.00 C ATOM 681 CE LYS A 41 -8.731 -15.498 -7.712 1.00 0.00 C ATOM 682 NZ LYS A 41 -9.694 -16.553 -8.096 1.00 0.00 N ATOM 0 H LYS A 41 -6.852 -16.359 -1.902 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.649 -14.889 -4.310 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -7.749 -17.118 -3.994 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.048 -16.321 -3.130 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.721 -16.726 -5.430 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -9.597 -15.000 -5.152 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.307 -15.016 -6.174 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.470 -16.733 -6.483 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -9.253 -14.545 -7.632 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.985 -15.387 -8.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.030 -16.380 -9.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.228 -17.482 -8.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -10.503 -16.540 -7.442 1.00 0.00 H new ATOM 696 N ASN A 42 -8.468 -13.513 -1.967 1.00 0.00 N ATOM 697 CA ASN A 42 -9.095 -12.234 -1.625 1.00 0.00 C ATOM 698 C ASN A 42 -8.054 -11.205 -1.234 1.00 0.00 C ATOM 699 O ASN A 42 -8.347 -10.033 -1.090 1.00 0.00 O ATOM 700 CB ASN A 42 -10.198 -12.333 -0.540 1.00 0.00 C ATOM 701 CG ASN A 42 -9.753 -12.869 0.835 1.00 0.00 C ATOM 702 OD1 ASN A 42 -8.599 -12.740 1.263 1.00 0.00 O ATOM 703 ND2 ASN A 42 -10.686 -13.451 1.549 1.00 0.00 N ATOM 0 H ASN A 42 -8.376 -14.172 -1.194 1.00 0.00 H new ATOM 0 HA ASN A 42 -9.602 -11.910 -2.534 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -10.629 -11.342 -0.398 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -10.993 -12.976 -0.917 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -10.468 -13.809 2.479 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -11.630 -13.546 1.175 1.00 0.00 H new ATOM 710 N GLU A 43 -6.839 -11.633 -1.108 1.00 0.00 N ATOM 711 CA GLU A 43 -5.786 -10.742 -0.749 1.00 0.00 C ATOM 712 C GLU A 43 -5.150 -10.203 -1.999 1.00 0.00 C ATOM 713 O GLU A 43 -5.477 -10.636 -3.127 1.00 0.00 O ATOM 714 CB GLU A 43 -4.738 -11.423 0.140 1.00 0.00 C ATOM 715 CG GLU A 43 -5.258 -11.867 1.495 1.00 0.00 C ATOM 716 CD GLU A 43 -4.179 -12.493 2.349 1.00 0.00 C ATOM 717 OE1 GLU A 43 -3.938 -13.711 2.215 1.00 0.00 O ATOM 718 OE2 GLU A 43 -3.573 -11.787 3.174 1.00 0.00 O ATOM 0 H GLU A 43 -6.551 -12.601 -1.250 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.210 -9.923 -0.168 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.342 -12.292 -0.386 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.906 -10.736 0.291 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.680 -11.009 2.018 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.067 -12.583 1.354 1.00 0.00 H new ATOM 725 N LEU A 44 -4.286 -9.259 -1.830 1.00 0.00 N ATOM 726 CA LEU A 44 -3.607 -8.656 -2.924 1.00 0.00 C ATOM 727 C LEU A 44 -2.579 -9.635 -3.451 1.00 0.00 C ATOM 728 O LEU A 44 -2.011 -10.442 -2.707 1.00 0.00 O ATOM 729 CB LEU A 44 -2.926 -7.355 -2.464 1.00 0.00 C ATOM 730 CG LEU A 44 -3.065 -6.122 -3.371 1.00 0.00 C ATOM 731 CD1 LEU A 44 -2.564 -4.875 -2.654 1.00 0.00 C ATOM 732 CD2 LEU A 44 -2.328 -6.312 -4.685 1.00 0.00 C ATOM 0 H LEU A 44 -4.030 -8.881 -0.918 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.314 -8.409 -3.715 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.323 -7.097 -1.482 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.863 -7.559 -2.335 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.123 -5.995 -3.600 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.669 -4.011 -3.310 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.149 -4.716 -1.748 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.514 -5.004 -2.390 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.448 -5.421 -5.301 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.269 -6.477 -4.488 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.738 -7.175 -5.211 1.00 0.00 H new ATOM 744 N SER A 45 -2.342 -9.563 -4.702 1.00 0.00 N ATOM 745 CA SER A 45 -1.352 -10.394 -5.359 1.00 0.00 C ATOM 746 C SER A 45 -0.006 -9.665 -5.327 1.00 0.00 C ATOM 747 O SER A 45 0.805 -9.726 -6.248 1.00 0.00 O ATOM 748 CB SER A 45 -1.827 -10.652 -6.771 1.00 0.00 C ATOM 749 OG SER A 45 -3.161 -11.172 -6.738 1.00 0.00 O ATOM 0 H SER A 45 -2.826 -8.921 -5.330 1.00 0.00 H new ATOM 0 HA SER A 45 -1.223 -11.353 -4.857 1.00 0.00 H new ATOM 0 HB2 SER A 45 -1.799 -9.729 -7.350 1.00 0.00 H new ATOM 0 HB3 SER A 45 -1.162 -11.359 -7.267 1.00 0.00 H new ATOM 0 HG SER A 45 -3.470 -11.338 -7.653 1.00 0.00 H new ATOM 755 N PHE A 46 0.214 -9.029 -4.221 1.00 0.00 N ATOM 756 CA PHE A 46 1.383 -8.271 -3.946 1.00 0.00 C ATOM 757 C PHE A 46 2.481 -9.178 -3.411 1.00 0.00 C ATOM 758 O PHE A 46 2.212 -10.329 -3.014 1.00 0.00 O ATOM 759 CB PHE A 46 1.054 -7.127 -2.945 1.00 0.00 C ATOM 760 CG PHE A 46 0.495 -7.521 -1.575 1.00 0.00 C ATOM 761 CD1 PHE A 46 0.123 -8.815 -1.255 1.00 0.00 C ATOM 762 CD2 PHE A 46 0.353 -6.568 -0.615 1.00 0.00 C ATOM 763 CE1 PHE A 46 -0.363 -9.130 -0.015 1.00 0.00 C ATOM 764 CE2 PHE A 46 -0.133 -6.878 0.626 1.00 0.00 C ATOM 765 CZ PHE A 46 -0.485 -8.161 0.925 1.00 0.00 C ATOM 0 H PHE A 46 -0.453 -9.027 -3.449 1.00 0.00 H new ATOM 0 HA PHE A 46 1.743 -7.817 -4.869 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.965 -6.551 -2.783 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.335 -6.460 -3.422 1.00 0.00 H new ATOM 0 HD1 PHE A 46 0.218 -9.592 -1.999 1.00 0.00 H new ATOM 0 HD2 PHE A 46 0.629 -5.548 -0.836 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -0.648 -10.146 0.214 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.238 -6.104 1.371 1.00 0.00 H new ATOM 0 HZ PHE A 46 -0.860 -8.404 1.908 1.00 0.00 H new ATOM 775 N LYS A 47 3.681 -8.697 -3.432 1.00 0.00 N ATOM 776 CA LYS A 47 4.805 -9.431 -2.923 1.00 0.00 C ATOM 777 C LYS A 47 5.691 -8.572 -2.034 1.00 0.00 C ATOM 778 O LYS A 47 5.364 -7.466 -1.689 1.00 0.00 O ATOM 779 CB LYS A 47 5.632 -10.094 -4.059 1.00 0.00 C ATOM 780 CG LYS A 47 5.027 -11.362 -4.653 1.00 0.00 C ATOM 781 CD LYS A 47 4.819 -12.409 -3.573 1.00 0.00 C ATOM 782 CE LYS A 47 4.450 -13.770 -4.140 1.00 0.00 C ATOM 783 NZ LYS A 47 5.589 -14.428 -4.815 1.00 0.00 N ATOM 0 H LYS A 47 3.916 -7.777 -3.805 1.00 0.00 H new ATOM 0 HA LYS A 47 4.396 -10.231 -2.306 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.767 -9.366 -4.859 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.623 -10.331 -3.673 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.075 -11.129 -5.130 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.684 -11.756 -5.428 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.730 -12.501 -2.981 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.032 -12.076 -2.896 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.089 -14.410 -3.335 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.629 -13.655 -4.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.323 -15.398 -5.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.842 -13.893 -5.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.405 -14.457 -4.171 1.00 0.00 H new ATOM 797 N GLN A 48 6.775 -9.145 -1.667 1.00 0.00 N ATOM 798 CA GLN A 48 7.795 -8.584 -0.841 1.00 0.00 C ATOM 799 C GLN A 48 8.437 -7.415 -1.539 1.00 0.00 C ATOM 800 O GLN A 48 8.960 -7.547 -2.661 1.00 0.00 O ATOM 801 CB GLN A 48 8.840 -9.671 -0.521 1.00 0.00 C ATOM 802 CG GLN A 48 10.047 -9.182 0.251 1.00 0.00 C ATOM 803 CD GLN A 48 10.958 -10.299 0.711 1.00 0.00 C ATOM 804 OE1 GLN A 48 11.601 -10.190 1.755 1.00 0.00 O ATOM 805 NE2 GLN A 48 11.027 -11.366 -0.039 1.00 0.00 N ATOM 0 H GLN A 48 6.997 -10.097 -1.957 1.00 0.00 H new ATOM 0 HA GLN A 48 7.360 -8.225 0.091 1.00 0.00 H new ATOM 0 HB2 GLN A 48 8.357 -10.463 0.051 1.00 0.00 H new ATOM 0 HB3 GLN A 48 9.180 -10.115 -1.456 1.00 0.00 H new ATOM 0 HG2 GLN A 48 10.615 -8.494 -0.375 1.00 0.00 H new ATOM 0 HG3 GLN A 48 9.709 -8.617 1.120 1.00 0.00 H new ATOM 0 HE21 GLN A 48 10.480 -11.422 -0.898 1.00 0.00 H new ATOM 0 HE22 GLN A 48 11.628 -12.143 0.234 1.00 0.00 H new ATOM 814 N GLY A 49 8.330 -6.289 -0.915 1.00 0.00 N ATOM 815 CA GLY A 49 8.906 -5.087 -1.440 1.00 0.00 C ATOM 816 C GLY A 49 7.908 -4.349 -2.281 1.00 0.00 C ATOM 817 O GLY A 49 8.272 -3.534 -3.128 1.00 0.00 O ATOM 0 H GLY A 49 7.842 -6.172 -0.027 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.242 -4.450 -0.622 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.785 -5.329 -2.037 1.00 0.00 H new ATOM 821 N GLU A 50 6.652 -4.673 -2.083 1.00 0.00 N ATOM 822 CA GLU A 50 5.581 -4.087 -2.834 1.00 0.00 C ATOM 823 C GLU A 50 5.267 -2.718 -2.305 1.00 0.00 C ATOM 824 O GLU A 50 5.174 -2.516 -1.084 1.00 0.00 O ATOM 825 CB GLU A 50 4.336 -4.904 -2.657 1.00 0.00 C ATOM 826 CG GLU A 50 3.291 -4.714 -3.736 1.00 0.00 C ATOM 827 CD GLU A 50 3.746 -5.172 -5.091 1.00 0.00 C ATOM 828 OE1 GLU A 50 3.700 -6.392 -5.358 1.00 0.00 O ATOM 829 OE2 GLU A 50 4.120 -4.312 -5.919 1.00 0.00 O ATOM 0 H GLU A 50 6.348 -5.357 -1.389 1.00 0.00 H new ATOM 0 HA GLU A 50 5.888 -4.043 -3.879 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.612 -5.958 -2.621 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.891 -4.658 -1.693 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.390 -5.261 -3.459 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.021 -3.659 -3.789 1.00 0.00 H new ATOM 836 N GLN A 51 5.054 -1.812 -3.194 1.00 0.00 N ATOM 837 CA GLN A 51 4.605 -0.523 -2.829 1.00 0.00 C ATOM 838 C GLN A 51 3.133 -0.522 -3.021 1.00 0.00 C ATOM 839 O GLN A 51 2.619 -0.466 -4.147 1.00 0.00 O ATOM 840 CB GLN A 51 5.233 0.608 -3.649 1.00 0.00 C ATOM 841 CG GLN A 51 6.709 0.834 -3.416 1.00 0.00 C ATOM 842 CD GLN A 51 7.187 2.102 -4.095 1.00 0.00 C ATOM 843 OE1 GLN A 51 7.605 2.093 -5.256 1.00 0.00 O ATOM 844 NE2 GLN A 51 7.124 3.200 -3.389 1.00 0.00 N ATOM 0 H GLN A 51 5.188 -1.948 -4.196 1.00 0.00 H new ATOM 0 HA GLN A 51 4.900 -0.329 -1.798 1.00 0.00 H new ATOM 0 HB2 GLN A 51 5.077 0.397 -4.707 1.00 0.00 H new ATOM 0 HB3 GLN A 51 4.701 1.533 -3.427 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.905 0.896 -2.346 1.00 0.00 H new ATOM 0 HG3 GLN A 51 7.274 -0.018 -3.794 1.00 0.00 H new ATOM 0 HE21 GLN A 51 6.773 3.171 -2.432 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.426 4.086 -3.795 1.00 0.00 H new ATOM 853 N ILE A 52 2.503 -0.751 -1.953 1.00 0.00 N ATOM 854 CA ILE A 52 1.052 -0.667 -1.825 1.00 0.00 C ATOM 855 C ILE A 52 0.581 0.490 -0.938 1.00 0.00 C ATOM 856 O ILE A 52 1.325 1.035 -0.148 1.00 0.00 O ATOM 857 CB ILE A 52 0.486 -1.934 -1.251 1.00 0.00 C ATOM 858 CG1 ILE A 52 1.154 -2.243 0.043 1.00 0.00 C ATOM 859 CG2 ILE A 52 0.655 -3.068 -2.197 1.00 0.00 C ATOM 860 CD1 ILE A 52 0.643 -3.462 0.637 1.00 0.00 C ATOM 0 H ILE A 52 2.969 -1.016 -1.085 1.00 0.00 H new ATOM 0 HA ILE A 52 0.692 -0.497 -2.840 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.581 -1.790 -1.081 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.228 -2.339 -0.117 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.008 -1.413 0.734 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.237 -3.974 -1.758 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.137 -2.844 -3.129 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.716 -3.219 -2.399 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.157 -3.651 1.579 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.426 -3.356 0.822 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.813 -4.297 -0.043 1.00 0.00 H new ATOM 872 N GLU A 53 -0.640 0.883 -1.112 1.00 0.00 N ATOM 873 CA GLU A 53 -1.234 1.903 -0.287 1.00 0.00 C ATOM 874 C GLU A 53 -2.540 1.377 0.248 1.00 0.00 C ATOM 875 O GLU A 53 -3.275 0.749 -0.490 1.00 0.00 O ATOM 876 CB GLU A 53 -1.536 3.179 -1.083 1.00 0.00 C ATOM 877 CG GLU A 53 -0.430 3.692 -1.975 1.00 0.00 C ATOM 878 CD GLU A 53 -0.338 2.992 -3.321 1.00 0.00 C ATOM 879 OE1 GLU A 53 -1.294 3.104 -4.135 1.00 0.00 O ATOM 880 OE2 GLU A 53 0.706 2.388 -3.605 1.00 0.00 O ATOM 0 H GLU A 53 -1.261 0.509 -1.830 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.530 2.147 0.509 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.416 2.996 -1.700 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.799 3.967 -0.378 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.579 4.759 -2.143 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.521 3.581 -1.455 1.00 0.00 H new ATOM 887 N ILE A 54 -2.847 1.607 1.514 1.00 0.00 N ATOM 888 CA ILE A 54 -4.159 1.158 1.983 1.00 0.00 C ATOM 889 C ILE A 54 -5.150 2.310 2.084 1.00 0.00 C ATOM 890 O ILE A 54 -4.903 3.334 2.746 1.00 0.00 O ATOM 891 CB ILE A 54 -4.193 0.229 3.264 1.00 0.00 C ATOM 892 CG1 ILE A 54 -4.078 0.993 4.584 1.00 0.00 C ATOM 893 CG2 ILE A 54 -3.090 -0.814 3.196 1.00 0.00 C ATOM 894 CD1 ILE A 54 -2.759 1.640 4.804 1.00 0.00 C ATOM 0 H ILE A 54 -2.254 2.071 2.202 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.478 0.480 1.192 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.173 -0.248 3.253 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -4.854 1.758 4.616 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -4.274 0.305 5.407 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.129 -1.443 4.085 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -3.227 -1.431 2.308 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.121 -0.317 3.146 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.764 2.159 5.762 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.977 0.881 4.807 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.567 2.356 4.005 1.00 0.00 H new ATOM 906 N ILE A 55 -6.254 2.139 1.417 1.00 0.00 N ATOM 907 CA ILE A 55 -7.291 3.155 1.327 1.00 0.00 C ATOM 908 C ILE A 55 -8.517 2.784 2.141 1.00 0.00 C ATOM 909 O ILE A 55 -9.462 3.561 2.243 1.00 0.00 O ATOM 910 CB ILE A 55 -7.717 3.508 -0.158 1.00 0.00 C ATOM 911 CG1 ILE A 55 -8.101 2.265 -0.991 1.00 0.00 C ATOM 912 CG2 ILE A 55 -6.634 4.301 -0.875 1.00 0.00 C ATOM 913 CD1 ILE A 55 -6.919 1.418 -1.441 1.00 0.00 C ATOM 0 H ILE A 55 -6.473 1.282 0.909 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.838 4.052 1.749 1.00 0.00 H new ATOM 0 HB ILE A 55 -8.610 4.126 -0.069 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -8.775 1.643 -0.402 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.655 2.590 -1.872 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -6.960 4.526 -1.891 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -6.449 5.232 -0.339 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.716 3.714 -0.910 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.280 0.567 -2.019 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.254 2.021 -2.059 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.375 1.058 -0.567 1.00 0.00 H new ATOM 925 N ARG A 56 -8.507 1.606 2.721 1.00 0.00 N ATOM 926 CA ARG A 56 -9.606 1.181 3.560 1.00 0.00 C ATOM 927 C ARG A 56 -9.095 0.461 4.794 1.00 0.00 C ATOM 928 O ARG A 56 -8.494 -0.622 4.699 1.00 0.00 O ATOM 929 CB ARG A 56 -10.617 0.302 2.794 1.00 0.00 C ATOM 930 CG ARG A 56 -11.728 -0.256 3.685 1.00 0.00 C ATOM 931 CD ARG A 56 -12.710 -1.146 2.929 1.00 0.00 C ATOM 932 NE ARG A 56 -13.592 -0.408 2.020 1.00 0.00 N ATOM 933 CZ ARG A 56 -14.429 -0.984 1.131 1.00 0.00 C ATOM 934 NH1 ARG A 56 -14.466 -2.317 1.002 1.00 0.00 N ATOM 935 NH2 ARG A 56 -15.231 -0.232 0.386 1.00 0.00 N ATOM 0 H ARG A 56 -7.753 0.926 2.628 1.00 0.00 H new ATOM 0 HA ARG A 56 -10.135 2.080 3.875 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -11.064 0.889 1.992 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.086 -0.526 2.325 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -11.281 -0.827 4.498 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -12.272 0.572 4.139 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -12.150 -1.886 2.357 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -13.319 -1.693 3.648 1.00 0.00 H new ATOM 0 HE ARG A 56 -13.572 0.611 2.062 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -13.860 -2.902 1.577 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -15.100 -2.747 0.329 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -15.215 0.783 0.485 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -15.862 -0.670 -0.285 1.00 0.00 H new ATOM 949 N ILE A 57 -9.327 1.066 5.936 1.00 0.00 N ATOM 950 CA ILE A 57 -8.981 0.480 7.214 1.00 0.00 C ATOM 951 C ILE A 57 -10.216 -0.212 7.702 1.00 0.00 C ATOM 952 O ILE A 57 -11.156 0.432 8.206 1.00 0.00 O ATOM 953 CB ILE A 57 -8.553 1.557 8.255 1.00 0.00 C ATOM 954 CG1 ILE A 57 -7.363 2.368 7.735 1.00 0.00 C ATOM 955 CG2 ILE A 57 -8.225 0.920 9.611 1.00 0.00 C ATOM 956 CD1 ILE A 57 -6.152 1.534 7.383 1.00 0.00 C ATOM 0 H ILE A 57 -9.764 1.985 6.007 1.00 0.00 H new ATOM 0 HA ILE A 57 -8.136 -0.199 7.095 1.00 0.00 H new ATOM 0 HB ILE A 57 -9.394 2.235 8.400 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -7.676 2.926 6.852 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -7.079 3.101 8.490 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -7.930 1.697 10.316 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -9.104 0.400 9.991 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -7.407 0.209 9.491 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.355 2.184 7.023 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.811 0.997 8.268 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -6.417 0.819 6.604 1.00 0.00 H new ATOM 968 N THR A 58 -10.265 -1.479 7.496 1.00 0.00 N ATOM 969 CA THR A 58 -11.414 -2.232 7.812 1.00 0.00 C ATOM 970 C THR A 58 -11.453 -2.701 9.247 1.00 0.00 C ATOM 971 O THR A 58 -10.444 -3.118 9.821 1.00 0.00 O ATOM 972 CB THR A 58 -11.465 -3.427 6.874 1.00 0.00 C ATOM 973 OG1 THR A 58 -10.173 -3.573 6.244 1.00 0.00 O ATOM 974 CG2 THR A 58 -12.509 -3.213 5.826 1.00 0.00 C ATOM 0 H THR A 58 -9.499 -2.023 7.099 1.00 0.00 H new ATOM 0 HA THR A 58 -12.283 -1.585 7.687 1.00 0.00 H new ATOM 0 HB THR A 58 -11.714 -4.326 7.438 1.00 0.00 H new ATOM 0 HG1 THR A 58 -9.969 -4.525 6.132 1.00 0.00 H new ATOM 0 HG21 THR A 58 -12.537 -4.075 5.159 1.00 0.00 H new ATOM 0 HG22 THR A 58 -13.482 -3.090 6.302 1.00 0.00 H new ATOM 0 HG23 THR A 58 -12.270 -2.318 5.252 1.00 0.00 H new ATOM 1037 N GLY A 63 -10.004 -9.907 8.726 1.00 0.00 N ATOM 1038 CA GLY A 63 -8.663 -9.797 9.221 1.00 0.00 C ATOM 1039 C GLY A 63 -7.731 -9.247 8.182 1.00 0.00 C ATOM 1040 O GLY A 63 -6.548 -9.610 8.146 1.00 0.00 O ATOM 0 HA2 GLY A 63 -8.651 -9.151 10.099 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.312 -10.778 9.542 1.00 0.00 H new ATOM 1044 N LYS A 64 -8.268 -8.429 7.287 1.00 0.00 N ATOM 1045 CA LYS A 64 -7.482 -7.831 6.231 1.00 0.00 C ATOM 1046 C LYS A 64 -7.809 -6.347 6.095 1.00 0.00 C ATOM 1047 O LYS A 64 -8.877 -5.891 6.511 1.00 0.00 O ATOM 1048 CB LYS A 64 -7.790 -8.482 4.887 1.00 0.00 C ATOM 1049 CG LYS A 64 -7.828 -9.988 4.875 1.00 0.00 C ATOM 1050 CD LYS A 64 -6.483 -10.647 4.983 1.00 0.00 C ATOM 1051 CE LYS A 64 -6.653 -12.160 5.105 1.00 0.00 C ATOM 1052 NZ LYS A 64 -7.578 -12.729 4.081 1.00 0.00 N ATOM 0 H LYS A 64 -9.254 -8.166 7.277 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.434 -7.975 6.493 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.754 -8.111 4.539 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.042 -8.152 4.166 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -8.453 -10.329 5.700 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.308 -10.319 3.954 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.881 -10.410 4.106 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -5.948 -10.261 5.851 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -5.678 -12.638 5.011 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.030 -12.398 6.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -7.369 -13.739 3.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -8.561 -12.619 4.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -7.450 -12.226 3.180 1.00 0.00 H new ATOM 1066 N TRP A 65 -6.901 -5.621 5.519 1.00 0.00 N ATOM 1067 CA TRP A 65 -7.100 -4.240 5.126 1.00 0.00 C ATOM 1068 C TRP A 65 -7.162 -4.172 3.632 1.00 0.00 C ATOM 1069 O TRP A 65 -6.750 -5.106 2.970 1.00 0.00 O ATOM 1070 CB TRP A 65 -5.977 -3.357 5.628 1.00 0.00 C ATOM 1071 CG TRP A 65 -6.168 -2.917 7.029 1.00 0.00 C ATOM 1072 CD1 TRP A 65 -7.241 -3.171 7.835 1.00 0.00 C ATOM 1073 CD2 TRP A 65 -5.279 -2.115 7.782 1.00 0.00 C ATOM 1074 NE1 TRP A 65 -7.068 -2.572 9.041 1.00 0.00 N ATOM 1075 CE2 TRP A 65 -5.864 -1.914 9.039 1.00 0.00 C ATOM 1076 CE3 TRP A 65 -4.035 -1.552 7.513 1.00 0.00 C ATOM 1077 CZ2 TRP A 65 -5.253 -1.161 10.025 1.00 0.00 C ATOM 1078 CZ3 TRP A 65 -3.422 -0.806 8.487 1.00 0.00 C ATOM 1079 CH2 TRP A 65 -4.031 -0.613 9.735 1.00 0.00 C ATOM 0 H TRP A 65 -5.970 -5.974 5.298 1.00 0.00 H new ATOM 0 HA TRP A 65 -8.030 -3.880 5.565 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -5.034 -3.898 5.548 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -5.897 -2.480 4.985 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -8.101 -3.761 7.554 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -7.725 -2.606 9.820 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -3.561 -1.700 6.554 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -5.721 -1.011 10.987 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -2.458 -0.361 8.290 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -3.526 -0.020 10.483 1.00 0.00 H new ATOM 1090 N LEU A 66 -7.678 -3.107 3.094 1.00 0.00 N ATOM 1091 CA LEU A 66 -7.759 -3.000 1.667 1.00 0.00 C ATOM 1092 C LEU A 66 -6.687 -2.057 1.140 1.00 0.00 C ATOM 1093 O LEU A 66 -6.704 -0.831 1.398 1.00 0.00 O ATOM 1094 CB LEU A 66 -9.203 -2.647 1.207 1.00 0.00 C ATOM 1095 CG LEU A 66 -9.497 -2.552 -0.318 1.00 0.00 C ATOM 1096 CD1 LEU A 66 -9.090 -1.217 -0.887 1.00 0.00 C ATOM 1097 CD2 LEU A 66 -8.792 -3.661 -1.081 1.00 0.00 C ATOM 0 H LEU A 66 -8.045 -2.309 3.613 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.549 -3.972 1.221 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.876 -3.394 1.628 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.468 -1.690 1.655 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.575 -2.663 -0.435 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.313 -1.193 -1.954 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.642 -0.423 -0.383 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.021 -1.068 -0.736 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -9.015 -3.570 -2.144 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.716 -3.581 -0.928 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.139 -4.629 -0.719 1.00 0.00 H new ATOM 1109 N GLY A 67 -5.761 -2.643 0.425 1.00 0.00 N ATOM 1110 CA GLY A 67 -4.667 -1.939 -0.153 1.00 0.00 C ATOM 1111 C GLY A 67 -4.755 -1.937 -1.655 1.00 0.00 C ATOM 1112 O GLY A 67 -5.665 -2.521 -2.225 1.00 0.00 O ATOM 0 H GLY A 67 -5.755 -3.644 0.230 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.656 -0.913 0.215 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.729 -2.399 0.159 1.00 0.00 H new ATOM 1116 N ARG A 68 -3.834 -1.282 -2.277 1.00 0.00 N ATOM 1117 CA ARG A 68 -3.690 -1.238 -3.710 1.00 0.00 C ATOM 1118 C ARG A 68 -2.240 -1.062 -4.009 1.00 0.00 C ATOM 1119 O ARG A 68 -1.548 -0.444 -3.237 1.00 0.00 O ATOM 1120 CB ARG A 68 -4.455 -0.068 -4.339 1.00 0.00 C ATOM 1121 CG ARG A 68 -4.103 1.312 -3.770 1.00 0.00 C ATOM 1122 CD ARG A 68 -4.493 2.427 -4.725 1.00 0.00 C ATOM 1123 NE ARG A 68 -3.472 2.608 -5.763 1.00 0.00 N ATOM 1124 CZ ARG A 68 -3.678 2.765 -7.084 1.00 0.00 C ATOM 1125 NH1 ARG A 68 -4.910 2.710 -7.594 1.00 0.00 N ATOM 1126 NH2 ARG A 68 -2.644 3.011 -7.886 1.00 0.00 N ATOM 0 H ARG A 68 -3.125 -0.736 -1.788 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.095 -2.160 -4.126 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -4.264 -0.062 -5.412 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.523 -0.238 -4.207 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.612 1.454 -2.817 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.033 1.361 -3.570 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.452 2.195 -5.189 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.623 3.357 -4.171 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.501 2.616 -5.450 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.709 2.547 -6.981 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.053 2.831 -8.597 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -1.703 3.079 -7.498 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -2.793 3.131 -8.888 1.00 0.00 H new ATOM 1140 N THR A 69 -1.775 -1.630 -5.063 1.00 0.00 N ATOM 1141 CA THR A 69 -0.410 -1.436 -5.456 1.00 0.00 C ATOM 1142 C THR A 69 -0.303 -0.158 -6.269 1.00 0.00 C ATOM 1143 O THR A 69 -1.330 0.426 -6.645 1.00 0.00 O ATOM 1144 CB THR A 69 0.088 -2.626 -6.298 1.00 0.00 C ATOM 1145 OG1 THR A 69 -0.784 -2.841 -7.423 1.00 0.00 O ATOM 1146 CG2 THR A 69 0.147 -3.888 -5.460 1.00 0.00 C ATOM 0 H THR A 69 -2.316 -2.238 -5.678 1.00 0.00 H new ATOM 0 HA THR A 69 0.208 -1.363 -4.561 1.00 0.00 H new ATOM 0 HB THR A 69 1.090 -2.390 -6.656 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.456 -3.599 -7.951 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.501 -4.716 -6.074 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.830 -3.738 -4.624 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.848 -4.118 -5.079 1.00 0.00 H new ATOM 1154 N ALA A 70 0.912 0.261 -6.572 1.00 0.00 N ATOM 1155 CA ALA A 70 1.140 1.429 -7.411 1.00 0.00 C ATOM 1156 C ALA A 70 0.584 1.182 -8.818 1.00 0.00 C ATOM 1157 O ALA A 70 0.239 2.118 -9.546 1.00 0.00 O ATOM 1158 CB ALA A 70 2.623 1.757 -7.471 1.00 0.00 C ATOM 0 H ALA A 70 1.765 -0.194 -6.247 1.00 0.00 H new ATOM 0 HA ALA A 70 0.619 2.282 -6.976 1.00 0.00 H new ATOM 0 HB1 ALA A 70 2.777 2.632 -8.102 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.991 1.965 -6.466 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.167 0.909 -7.888 1.00 0.00 H new ATOM 1164 N ARG A 71 0.478 -0.094 -9.175 1.00 0.00 N ATOM 1165 CA ARG A 71 -0.082 -0.521 -10.450 1.00 0.00 C ATOM 1166 C ARG A 71 -1.601 -0.406 -10.448 1.00 0.00 C ATOM 1167 O ARG A 71 -2.234 -0.444 -11.500 1.00 0.00 O ATOM 1168 CB ARG A 71 0.331 -1.952 -10.766 1.00 0.00 C ATOM 1169 CG ARG A 71 1.802 -2.120 -11.078 1.00 0.00 C ATOM 1170 CD ARG A 71 2.165 -3.587 -11.209 1.00 0.00 C ATOM 1171 NE ARG A 71 1.394 -4.290 -12.252 1.00 0.00 N ATOM 1172 CZ ARG A 71 0.737 -5.451 -12.059 1.00 0.00 C ATOM 1173 NH1 ARG A 71 0.553 -5.922 -10.827 1.00 0.00 N ATOM 1174 NH2 ARG A 71 0.221 -6.104 -13.085 1.00 0.00 N ATOM 0 H ARG A 71 0.781 -0.866 -8.582 1.00 0.00 H new ATOM 0 HA ARG A 71 0.312 0.139 -11.223 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.076 -2.587 -9.918 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -0.252 -2.307 -11.616 1.00 0.00 H new ATOM 0 HG2 ARG A 71 2.043 -1.598 -12.004 1.00 0.00 H new ATOM 0 HG3 ARG A 71 2.399 -1.663 -10.289 1.00 0.00 H new ATOM 0 HD2 ARG A 71 3.228 -3.672 -11.434 1.00 0.00 H new ATOM 0 HD3 ARG A 71 2.001 -4.081 -10.251 1.00 0.00 H new ATOM 0 HE ARG A 71 1.356 -3.870 -13.181 1.00 0.00 H new ATOM 0 HH11 ARG A 71 0.910 -5.404 -10.024 1.00 0.00 H new ATOM 0 HH12 ARG A 71 0.055 -6.801 -10.686 1.00 0.00 H new ATOM 0 HH21 ARG A 71 0.319 -5.730 -14.029 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -0.275 -6.982 -12.933 1.00 0.00 H new ATOM 1188 N GLY A 72 -2.177 -0.255 -9.274 1.00 0.00 N ATOM 1189 CA GLY A 72 -3.600 -0.105 -9.172 1.00 0.00 C ATOM 1190 C GLY A 72 -4.314 -1.395 -8.882 1.00 0.00 C ATOM 1191 O GLY A 72 -5.509 -1.511 -9.129 1.00 0.00 O ATOM 0 H GLY A 72 -1.678 -0.234 -8.385 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.827 0.613 -8.384 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.982 0.312 -10.104 1.00 0.00 H new ATOM 1195 N SER A 73 -3.604 -2.373 -8.375 1.00 0.00 N ATOM 1196 CA SER A 73 -4.212 -3.619 -8.047 1.00 0.00 C ATOM 1197 C SER A 73 -4.622 -3.565 -6.594 1.00 0.00 C ATOM 1198 O SER A 73 -3.777 -3.523 -5.709 1.00 0.00 O ATOM 1199 CB SER A 73 -3.222 -4.761 -8.286 1.00 0.00 C ATOM 1200 OG SER A 73 -2.688 -4.697 -9.605 1.00 0.00 O ATOM 0 H SER A 73 -2.603 -2.321 -8.184 1.00 0.00 H new ATOM 0 HA SER A 73 -5.086 -3.798 -8.674 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.413 -4.706 -7.558 1.00 0.00 H new ATOM 0 HB3 SER A 73 -3.721 -5.719 -8.136 1.00 0.00 H new ATOM 0 HG SER A 73 -2.056 -5.434 -9.738 1.00 0.00 H new ATOM 1206 N TYR A 74 -5.899 -3.495 -6.371 1.00 0.00 N ATOM 1207 CA TYR A 74 -6.454 -3.433 -5.032 1.00 0.00 C ATOM 1208 C TYR A 74 -6.581 -4.837 -4.480 1.00 0.00 C ATOM 1209 O TYR A 74 -6.920 -5.758 -5.219 1.00 0.00 O ATOM 1210 CB TYR A 74 -7.828 -2.729 -5.042 1.00 0.00 C ATOM 1211 CG TYR A 74 -7.797 -1.269 -5.494 1.00 0.00 C ATOM 1212 CD1 TYR A 74 -7.572 -0.934 -6.823 1.00 0.00 C ATOM 1213 CD2 TYR A 74 -7.999 -0.238 -4.592 1.00 0.00 C ATOM 1214 CE1 TYR A 74 -7.537 0.377 -7.239 1.00 0.00 C ATOM 1215 CE2 TYR A 74 -7.972 1.086 -5.004 1.00 0.00 C ATOM 1216 CZ TYR A 74 -7.739 1.383 -6.330 1.00 0.00 C ATOM 1217 OH TYR A 74 -7.681 2.703 -6.746 1.00 0.00 O ATOM 0 H TYR A 74 -6.600 -3.479 -7.112 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.787 -2.853 -4.395 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -8.500 -3.283 -5.697 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -8.251 -2.775 -4.039 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -7.421 -1.721 -7.547 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.180 -0.468 -3.553 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -7.351 0.612 -8.277 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.133 1.880 -4.290 1.00 0.00 H new ATOM 0 HH TYR A 74 -7.847 3.294 -5.982 1.00 0.00 H new ATOM 1227 N GLY A 75 -6.282 -5.011 -3.223 1.00 0.00 N ATOM 1228 CA GLY A 75 -6.364 -6.324 -2.616 1.00 0.00 C ATOM 1229 C GLY A 75 -6.318 -6.271 -1.120 1.00 0.00 C ATOM 1230 O GLY A 75 -5.826 -5.288 -0.552 1.00 0.00 O ATOM 0 H GLY A 75 -5.979 -4.267 -2.594 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.288 -6.808 -2.930 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.542 -6.940 -2.979 1.00 0.00 H new ATOM 1234 N TYR A 76 -6.858 -7.298 -0.464 1.00 0.00 N ATOM 1235 CA TYR A 76 -6.770 -7.392 0.963 1.00 0.00 C ATOM 1236 C TYR A 76 -5.353 -7.658 1.403 1.00 0.00 C ATOM 1237 O TYR A 76 -4.553 -8.245 0.678 1.00 0.00 O ATOM 1238 CB TYR A 76 -7.707 -8.447 1.540 1.00 0.00 C ATOM 1239 CG TYR A 76 -9.161 -8.043 1.607 1.00 0.00 C ATOM 1240 CD1 TYR A 76 -9.529 -6.792 2.083 1.00 0.00 C ATOM 1241 CD2 TYR A 76 -10.161 -8.914 1.216 1.00 0.00 C ATOM 1242 CE1 TYR A 76 -10.850 -6.423 2.163 1.00 0.00 C ATOM 1243 CE2 TYR A 76 -11.486 -8.555 1.296 1.00 0.00 C ATOM 1244 CZ TYR A 76 -11.825 -7.308 1.767 1.00 0.00 C ATOM 1245 OH TYR A 76 -13.150 -6.951 1.853 1.00 0.00 O ATOM 0 H TYR A 76 -7.357 -8.067 -0.912 1.00 0.00 H new ATOM 0 HA TYR A 76 -7.088 -6.426 1.355 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -7.625 -9.352 0.938 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.369 -8.700 2.545 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -8.764 -6.097 2.396 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -9.897 -9.892 0.842 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -11.120 -5.445 2.534 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -12.256 -9.248 0.991 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.709 -7.689 1.532 1.00 0.00 H new ATOM 1255 N ILE A 77 -5.045 -7.191 2.548 1.00 0.00 N ATOM 1256 CA ILE A 77 -3.748 -7.323 3.111 1.00 0.00 C ATOM 1257 C ILE A 77 -3.896 -7.739 4.535 1.00 0.00 C ATOM 1258 O ILE A 77 -4.665 -7.112 5.261 1.00 0.00 O ATOM 1259 CB ILE A 77 -3.057 -5.937 3.150 1.00 0.00 C ATOM 1260 CG1 ILE A 77 -2.972 -5.313 1.777 1.00 0.00 C ATOM 1261 CG2 ILE A 77 -1.681 -6.077 3.720 1.00 0.00 C ATOM 1262 CD1 ILE A 77 -2.590 -3.873 1.786 1.00 0.00 C ATOM 0 H ILE A 77 -5.704 -6.689 3.144 1.00 0.00 H new ATOM 0 HA ILE A 77 -3.176 -8.039 2.521 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.660 -5.283 3.779 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.246 -5.867 1.182 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -3.937 -5.419 1.281 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.197 -5.101 3.746 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.745 -6.478 4.732 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.097 -6.755 3.098 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.551 -3.500 0.762 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -3.328 -3.304 2.351 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.611 -3.759 2.251 1.00 0.00 H new ATOM 1274 N LYS A 78 -3.223 -8.780 4.958 1.00 0.00 N ATOM 1275 CA LYS A 78 -3.175 -9.012 6.378 1.00 0.00 C ATOM 1276 C LYS A 78 -2.341 -7.875 6.972 1.00 0.00 C ATOM 1277 O LYS A 78 -1.340 -7.488 6.384 1.00 0.00 O ATOM 1278 CB LYS A 78 -2.517 -10.328 6.749 1.00 0.00 C ATOM 1279 CG LYS A 78 -3.306 -11.559 6.429 1.00 0.00 C ATOM 1280 CD LYS A 78 -2.675 -12.749 7.103 1.00 0.00 C ATOM 1281 CE LYS A 78 -3.457 -14.013 6.856 1.00 0.00 C ATOM 1282 NZ LYS A 78 -2.892 -15.139 7.611 1.00 0.00 N ATOM 0 H LYS A 78 -2.724 -9.450 4.373 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.195 -9.052 6.760 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.557 -10.390 6.237 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -2.308 -10.320 7.819 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -4.336 -11.441 6.765 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -3.338 -11.713 5.350 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -1.656 -12.875 6.738 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.609 -12.566 8.176 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.497 -13.863 7.144 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -3.452 -14.246 5.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -3.449 -15.997 7.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.907 -15.294 7.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.920 -14.924 8.628 1.00 0.00 H new ATOM 1296 N THR A 79 -2.677 -7.386 8.123 1.00 0.00 N ATOM 1297 CA THR A 79 -1.993 -6.211 8.671 1.00 0.00 C ATOM 1298 C THR A 79 -0.538 -6.535 9.064 1.00 0.00 C ATOM 1299 O THR A 79 0.308 -5.656 9.226 1.00 0.00 O ATOM 1300 CB THR A 79 -2.783 -5.657 9.858 1.00 0.00 C ATOM 1301 OG1 THR A 79 -3.010 -6.705 10.814 1.00 0.00 O ATOM 1302 CG2 THR A 79 -4.114 -5.170 9.371 1.00 0.00 C ATOM 0 H THR A 79 -3.415 -7.765 8.716 1.00 0.00 H new ATOM 0 HA THR A 79 -1.947 -5.445 7.897 1.00 0.00 H new ATOM 0 HB THR A 79 -2.222 -4.845 10.319 1.00 0.00 H new ATOM 0 HG1 THR A 79 -3.515 -6.350 11.575 1.00 0.00 H new ATOM 0 HG21 THR A 79 -4.685 -4.773 10.210 1.00 0.00 H new ATOM 0 HG22 THR A 79 -3.965 -4.385 8.629 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.661 -5.997 8.919 1.00 0.00 H new ATOM 1310 N THR A 80 -0.271 -7.806 9.160 1.00 0.00 N ATOM 1311 CA THR A 80 1.017 -8.330 9.497 1.00 0.00 C ATOM 1312 C THR A 80 1.842 -8.547 8.214 1.00 0.00 C ATOM 1313 O THR A 80 3.060 -8.670 8.252 1.00 0.00 O ATOM 1314 CB THR A 80 0.822 -9.669 10.248 1.00 0.00 C ATOM 1315 OG1 THR A 80 2.078 -10.303 10.558 1.00 0.00 O ATOM 1316 CG2 THR A 80 -0.051 -10.607 9.430 1.00 0.00 C ATOM 0 H THR A 80 -0.971 -8.530 8.999 1.00 0.00 H new ATOM 0 HA THR A 80 1.555 -7.629 10.136 1.00 0.00 H new ATOM 0 HB THR A 80 0.327 -9.445 11.193 1.00 0.00 H new ATOM 0 HG1 THR A 80 1.912 -11.144 11.033 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.181 -11.546 9.969 1.00 0.00 H new ATOM 0 HG22 THR A 80 -1.025 -10.146 9.264 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.426 -10.803 8.470 1.00 0.00 H new ATOM 1324 N ALA A 81 1.161 -8.545 7.084 1.00 0.00 N ATOM 1325 CA ALA A 81 1.787 -8.773 5.790 1.00 0.00 C ATOM 1326 C ALA A 81 2.489 -7.526 5.317 1.00 0.00 C ATOM 1327 O ALA A 81 3.335 -7.565 4.431 1.00 0.00 O ATOM 1328 CB ALA A 81 0.742 -9.201 4.774 1.00 0.00 C ATOM 0 H ALA A 81 0.155 -8.385 7.034 1.00 0.00 H new ATOM 0 HA ALA A 81 2.525 -9.568 5.896 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.220 -9.369 3.809 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.265 -10.123 5.108 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.011 -8.419 4.675 1.00 0.00 H new ATOM 1334 N VAL A 82 2.146 -6.415 5.911 1.00 0.00 N ATOM 1335 CA VAL A 82 2.728 -5.158 5.512 1.00 0.00 C ATOM 1336 C VAL A 82 3.255 -4.389 6.659 1.00 0.00 C ATOM 1337 O VAL A 82 2.845 -4.585 7.813 1.00 0.00 O ATOM 1338 CB VAL A 82 1.762 -4.255 4.702 1.00 0.00 C ATOM 1339 CG1 VAL A 82 1.423 -4.919 3.426 1.00 0.00 C ATOM 1340 CG2 VAL A 82 0.485 -3.949 5.464 1.00 0.00 C ATOM 0 H VAL A 82 1.469 -6.352 6.671 1.00 0.00 H new ATOM 0 HA VAL A 82 3.553 -5.442 4.859 1.00 0.00 H new ATOM 0 HB VAL A 82 2.272 -3.309 4.519 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.744 -4.285 2.855 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.333 -5.087 2.850 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.942 -5.875 3.630 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.159 -3.314 4.855 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -0.035 -4.880 5.692 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.730 -3.433 6.393 1.00 0.00 H new ATOM 1350 N GLU A 83 4.164 -3.535 6.346 1.00 0.00 N ATOM 1351 CA GLU A 83 4.716 -2.623 7.270 1.00 0.00 C ATOM 1352 C GLU A 83 3.980 -1.309 7.052 1.00 0.00 C ATOM 1353 O GLU A 83 4.196 -0.624 6.058 1.00 0.00 O ATOM 1354 CB GLU A 83 6.209 -2.446 6.993 1.00 0.00 C ATOM 1355 CG GLU A 83 7.022 -3.737 6.993 1.00 0.00 C ATOM 1356 CD GLU A 83 7.075 -4.401 8.341 1.00 0.00 C ATOM 1357 OE1 GLU A 83 7.878 -3.973 9.191 1.00 0.00 O ATOM 1358 OE2 GLU A 83 6.340 -5.375 8.580 1.00 0.00 O ATOM 0 H GLU A 83 4.553 -3.453 5.407 1.00 0.00 H new ATOM 0 HA GLU A 83 4.609 -2.972 8.297 1.00 0.00 H new ATOM 0 HB2 GLU A 83 6.328 -1.959 6.025 1.00 0.00 H new ATOM 0 HB3 GLU A 83 6.625 -1.772 7.742 1.00 0.00 H new ATOM 0 HG2 GLU A 83 6.592 -4.430 6.270 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.037 -3.520 6.661 1.00 0.00 H new ATOM 1365 N ILE A 84 3.041 -1.038 7.899 1.00 0.00 N ATOM 1366 CA ILE A 84 2.262 0.177 7.822 1.00 0.00 C ATOM 1367 C ILE A 84 3.024 1.320 8.482 1.00 0.00 C ATOM 1368 O ILE A 84 3.222 1.335 9.705 1.00 0.00 O ATOM 1369 CB ILE A 84 0.869 -0.022 8.494 1.00 0.00 C ATOM 1370 CG1 ILE A 84 -0.004 -0.986 7.683 1.00 0.00 C ATOM 1371 CG2 ILE A 84 0.135 1.300 8.740 1.00 0.00 C ATOM 1372 CD1 ILE A 84 -0.418 -0.453 6.352 1.00 0.00 C ATOM 0 H ILE A 84 2.783 -1.651 8.673 1.00 0.00 H new ATOM 0 HA ILE A 84 2.096 0.426 6.774 1.00 0.00 H new ATOM 0 HB ILE A 84 1.059 -0.464 9.472 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.541 -1.918 7.536 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.896 -1.226 8.261 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.828 1.100 9.209 1.00 0.00 H new ATOM 0 HG22 ILE A 84 0.734 1.932 9.396 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -0.024 1.810 7.790 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -1.033 -1.193 5.839 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -0.992 0.463 6.490 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.468 -0.240 5.754 1.00 0.00 H new ATOM 1384 N ASP A 85 3.493 2.236 7.679 1.00 0.00 N ATOM 1385 CA ASP A 85 4.213 3.382 8.189 1.00 0.00 C ATOM 1386 C ASP A 85 3.324 4.562 8.407 1.00 0.00 C ATOM 1387 O ASP A 85 2.253 4.698 7.802 1.00 0.00 O ATOM 1388 CB ASP A 85 5.404 3.801 7.320 1.00 0.00 C ATOM 1389 CG ASP A 85 6.700 3.101 7.679 1.00 0.00 C ATOM 1390 OD1 ASP A 85 7.415 3.593 8.584 1.00 0.00 O ATOM 1391 OD2 ASP A 85 7.046 2.064 7.081 1.00 0.00 O ATOM 0 H ASP A 85 3.391 2.215 6.664 1.00 0.00 H new ATOM 0 HA ASP A 85 4.605 3.046 9.149 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.169 3.597 6.275 1.00 0.00 H new ATOM 0 HB3 ASP A 85 5.547 4.878 7.410 1.00 0.00 H new