USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 453 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 17 ASN : amide:sc= -0.0937 X(o=-0.094,f=0) USER MOD Single : A 19 LYS NZ :NH3+ -133:sc= -1.8 (180deg=-4.74!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HE2:sc= -3.72! C(o=-3.7!,f=-6.7!) USER MOD Single : A 28 ASN :FLIP amide:sc= -0.434 F(o=-3.6!,f=-0.43) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN :FLIP amide:sc= -0.417 F(o=-2.8!,f=-0.42) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=-0.09) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN :FLIP amide:sc= -3.05! C(o=-15!,f=-3.1!) USER MOD Single : A 79 THR OG1 : rot -130:sc= -0.307 USER MOD Single : A 80 ASN :FLIP amide:sc= -0.42 F(o=-1.1,f=-0.42) USER MOD Single : A 81 GLN :FLIP amide:sc= -4.07! C(o=-5.7!,f=-4.1!) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 126:sc= 0 USER MOD Single : A 94 THR OG1 : rot -50:sc= 1.02 USER MOD ----------------------------------------------------------------- ATOM 268 N ASN A 17 7.141 9.281 -7.161 1.00 0.00 N ATOM 269 CA ASN A 17 6.945 8.226 -8.197 1.00 0.00 C ATOM 270 C ASN A 17 6.343 6.959 -7.554 1.00 0.00 C ATOM 271 O ASN A 17 7.077 6.053 -7.214 1.00 0.00 O ATOM 272 CB ASN A 17 8.309 7.876 -8.802 1.00 0.00 C ATOM 273 CG ASN A 17 8.953 9.141 -9.370 1.00 0.00 C ATOM 274 OD1 ASN A 17 10.103 9.424 -9.101 1.00 0.00 O ATOM 275 ND2 ASN A 17 8.256 9.920 -10.151 1.00 0.00 N ATOM 0 HA ASN A 17 6.267 8.594 -8.967 1.00 0.00 H new ATOM 0 HB2 ASN A 17 8.954 7.436 -8.042 1.00 0.00 H new ATOM 0 HB3 ASN A 17 8.190 7.131 -9.589 1.00 0.00 H new ATOM 0 HD21 ASN A 17 8.677 10.766 -10.535 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.290 9.683 -10.377 1.00 0.00 H new ATOM 282 N PRO A 18 5.033 6.917 -7.394 1.00 0.00 N ATOM 283 CA PRO A 18 4.372 5.745 -6.783 1.00 0.00 C ATOM 284 C PRO A 18 4.670 4.478 -7.603 1.00 0.00 C ATOM 285 O PRO A 18 4.407 3.371 -7.176 1.00 0.00 O ATOM 286 CB PRO A 18 2.862 6.090 -6.793 1.00 0.00 C ATOM 287 CG PRO A 18 2.727 7.560 -7.285 1.00 0.00 C ATOM 288 CD PRO A 18 4.115 8.006 -7.795 1.00 0.00 C ATOM 0 HA PRO A 18 4.726 5.541 -5.772 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.317 5.413 -7.451 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.435 5.978 -5.796 1.00 0.00 H new ATOM 0 HG2 PRO A 18 1.985 7.632 -8.080 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.390 8.206 -6.475 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.114 8.144 -8.876 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.412 8.957 -7.353 1.00 0.00 H new ATOM 296 N LYS A 19 5.217 4.639 -8.775 1.00 0.00 N ATOM 297 CA LYS A 19 5.538 3.461 -9.633 1.00 0.00 C ATOM 298 C LYS A 19 6.471 2.492 -8.897 1.00 0.00 C ATOM 299 O LYS A 19 6.324 1.289 -8.989 1.00 0.00 O ATOM 300 CB LYS A 19 6.236 3.950 -10.909 1.00 0.00 C ATOM 301 CG LYS A 19 6.289 2.811 -11.940 1.00 0.00 C ATOM 302 CD LYS A 19 6.649 3.370 -13.322 1.00 0.00 C ATOM 303 CE LYS A 19 8.106 3.839 -13.341 1.00 0.00 C ATOM 304 NZ LYS A 19 8.209 5.168 -12.674 1.00 0.00 N ATOM 0 H LYS A 19 5.458 5.544 -9.180 1.00 0.00 H new ATOM 0 HA LYS A 19 4.612 2.941 -9.877 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.700 4.804 -11.324 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.245 4.289 -10.676 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.026 2.068 -11.636 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.325 2.304 -11.984 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.496 2.605 -14.083 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.989 4.201 -13.569 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.739 3.114 -12.830 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.464 3.907 -14.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.779 5.809 -13.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.257 5.568 -12.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.663 5.056 -11.745 1.00 0.00 H new ATOM 318 N THR A 20 7.445 2.996 -8.186 1.00 0.00 N ATOM 319 CA THR A 20 8.389 2.099 -7.476 1.00 0.00 C ATOM 320 C THR A 20 7.661 1.335 -6.366 1.00 0.00 C ATOM 321 O THR A 20 7.905 0.165 -6.147 1.00 0.00 O ATOM 322 CB THR A 20 9.524 2.936 -6.884 1.00 0.00 C ATOM 323 OG1 THR A 20 10.293 3.503 -7.935 1.00 0.00 O ATOM 324 CG2 THR A 20 10.410 2.044 -6.025 1.00 0.00 C ATOM 0 H THR A 20 7.624 3.993 -8.069 1.00 0.00 H new ATOM 0 HA THR A 20 8.799 1.374 -8.179 1.00 0.00 H new ATOM 0 HB THR A 20 9.109 3.736 -6.271 1.00 0.00 H new ATOM 0 HG1 THR A 20 11.019 4.041 -7.556 1.00 0.00 H new ATOM 0 HG21 THR A 20 11.221 2.637 -5.601 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.818 1.610 -5.219 1.00 0.00 H new ATOM 0 HG23 THR A 20 10.827 1.246 -6.639 1.00 0.00 H new ATOM 332 N PHE A 21 6.771 1.978 -5.664 1.00 0.00 N ATOM 333 CA PHE A 21 6.042 1.267 -4.576 1.00 0.00 C ATOM 334 C PHE A 21 5.366 0.029 -5.185 1.00 0.00 C ATOM 335 O PHE A 21 5.252 -1.004 -4.555 1.00 0.00 O ATOM 336 CB PHE A 21 5.003 2.238 -3.941 1.00 0.00 C ATOM 337 CG PHE A 21 3.650 1.572 -3.770 1.00 0.00 C ATOM 338 CD1 PHE A 21 2.792 1.453 -4.869 1.00 0.00 C ATOM 339 CD2 PHE A 21 3.263 1.072 -2.521 1.00 0.00 C ATOM 340 CE1 PHE A 21 1.547 0.835 -4.722 1.00 0.00 C ATOM 341 CE2 PHE A 21 2.016 0.453 -2.373 1.00 0.00 C ATOM 342 CZ PHE A 21 1.157 0.334 -3.473 1.00 0.00 C ATOM 0 H PHE A 21 6.518 2.957 -5.794 1.00 0.00 H new ATOM 0 HA PHE A 21 6.721 0.943 -3.787 1.00 0.00 H new ATOM 0 HB2 PHE A 21 5.367 2.579 -2.972 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.898 3.122 -4.570 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.092 1.839 -5.832 1.00 0.00 H new ATOM 0 HD2 PHE A 21 3.925 1.164 -1.673 1.00 0.00 H new ATOM 0 HE1 PHE A 21 0.886 0.744 -5.571 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.716 0.067 -1.410 1.00 0.00 H new ATOM 0 HZ PHE A 21 0.195 -0.143 -3.358 1.00 0.00 H new ATOM 352 N PHE A 22 4.917 0.132 -6.404 1.00 0.00 N ATOM 353 CA PHE A 22 4.246 -1.027 -7.053 1.00 0.00 C ATOM 354 C PHE A 22 5.272 -2.138 -7.319 1.00 0.00 C ATOM 355 O PHE A 22 4.968 -3.312 -7.212 1.00 0.00 O ATOM 356 CB PHE A 22 3.608 -0.567 -8.372 1.00 0.00 C ATOM 357 CG PHE A 22 2.607 -1.595 -8.841 1.00 0.00 C ATOM 358 CD1 PHE A 22 3.041 -2.724 -9.547 1.00 0.00 C ATOM 359 CD2 PHE A 22 1.244 -1.419 -8.572 1.00 0.00 C ATOM 360 CE1 PHE A 22 2.113 -3.677 -9.982 1.00 0.00 C ATOM 361 CE2 PHE A 22 0.316 -2.372 -9.006 1.00 0.00 C ATOM 362 CZ PHE A 22 0.750 -3.501 -9.712 1.00 0.00 C ATOM 0 H PHE A 22 4.986 0.971 -6.980 1.00 0.00 H new ATOM 0 HA PHE A 22 3.470 -1.418 -6.395 1.00 0.00 H new ATOM 0 HB2 PHE A 22 3.116 0.396 -8.233 1.00 0.00 H new ATOM 0 HB3 PHE A 22 4.379 -0.424 -9.129 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.092 -2.859 -9.756 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.909 -0.547 -8.029 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.448 -4.548 -10.526 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.735 -2.237 -8.797 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.034 -4.236 -10.048 1.00 0.00 H new ATOM 372 N ILE A 23 6.490 -1.789 -7.649 1.00 0.00 N ATOM 373 CA ILE A 23 7.508 -2.836 -7.906 1.00 0.00 C ATOM 374 C ILE A 23 7.909 -3.473 -6.575 1.00 0.00 C ATOM 375 O ILE A 23 7.722 -4.653 -6.360 1.00 0.00 O ATOM 376 CB ILE A 23 8.724 -2.196 -8.572 1.00 0.00 C ATOM 377 CG1 ILE A 23 8.320 -1.643 -9.942 1.00 0.00 C ATOM 378 CG2 ILE A 23 9.816 -3.244 -8.747 1.00 0.00 C ATOM 379 CD1 ILE A 23 9.452 -0.780 -10.503 1.00 0.00 C ATOM 0 H ILE A 23 6.816 -0.828 -7.750 1.00 0.00 H new ATOM 0 HA ILE A 23 7.104 -3.605 -8.565 1.00 0.00 H new ATOM 0 HB ILE A 23 9.098 -1.384 -7.948 1.00 0.00 H new ATOM 0 HG12 ILE A 23 8.101 -2.463 -10.626 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.409 -1.051 -9.852 1.00 0.00 H new ATOM 0 HG21 ILE A 23 10.685 -2.788 -9.222 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.101 -3.639 -7.772 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.444 -4.056 -9.372 1.00 0.00 H new ATOM 0 HD11 ILE A 23 9.162 -0.388 -11.478 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.649 0.048 -9.823 1.00 0.00 H new ATOM 0 HD13 ILE A 23 10.353 -1.385 -10.609 1.00 0.00 H new ATOM 391 N LEU A 24 8.455 -2.701 -5.677 1.00 0.00 N ATOM 392 CA LEU A 24 8.861 -3.269 -4.359 1.00 0.00 C ATOM 393 C LEU A 24 7.738 -4.155 -3.775 1.00 0.00 C ATOM 394 O LEU A 24 8.011 -5.157 -3.145 1.00 0.00 O ATOM 395 CB LEU A 24 9.166 -2.119 -3.388 1.00 0.00 C ATOM 396 CG LEU A 24 10.022 -2.628 -2.206 1.00 0.00 C ATOM 397 CD1 LEU A 24 11.510 -2.635 -2.585 1.00 0.00 C ATOM 398 CD2 LEU A 24 9.828 -1.714 -0.990 1.00 0.00 C ATOM 0 H LEU A 24 8.638 -1.705 -5.797 1.00 0.00 H new ATOM 0 HA LEU A 24 9.749 -3.886 -4.499 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.694 -1.322 -3.912 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.235 -1.693 -3.015 1.00 0.00 H new ATOM 0 HG LEU A 24 9.704 -3.642 -1.965 1.00 0.00 H new ATOM 0 HD11 LEU A 24 12.099 -2.996 -1.742 1.00 0.00 H new ATOM 0 HD12 LEU A 24 11.664 -3.291 -3.442 1.00 0.00 H new ATOM 0 HD13 LEU A 24 11.825 -1.623 -2.841 1.00 0.00 H new ATOM 0 HD21 LEU A 24 10.434 -2.078 -0.161 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.134 -0.699 -1.245 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.778 -1.714 -0.699 1.00 0.00 H new ATOM 410 N HIS A 25 6.484 -3.810 -3.968 1.00 0.00 N ATOM 411 CA HIS A 25 5.391 -4.661 -3.406 1.00 0.00 C ATOM 412 C HIS A 25 5.179 -5.885 -4.300 1.00 0.00 C ATOM 413 O HIS A 25 4.550 -6.847 -3.906 1.00 0.00 O ATOM 414 CB HIS A 25 4.081 -3.864 -3.321 1.00 0.00 C ATOM 415 CG HIS A 25 3.058 -4.673 -2.575 1.00 0.00 C ATOM 416 ND1 HIS A 25 3.354 -5.907 -2.016 1.00 0.00 N ATOM 417 CD2 HIS A 25 1.736 -4.440 -2.287 1.00 0.00 C ATOM 418 CE1 HIS A 25 2.235 -6.364 -1.425 1.00 0.00 C ATOM 419 NE2 HIS A 25 1.219 -5.508 -1.562 1.00 0.00 N ATOM 0 H HIS A 25 6.176 -2.986 -4.484 1.00 0.00 H new ATOM 0 HA HIS A 25 5.679 -4.980 -2.404 1.00 0.00 H new ATOM 0 HB2 HIS A 25 4.251 -2.914 -2.814 1.00 0.00 H new ATOM 0 HB3 HIS A 25 3.718 -3.630 -4.322 1.00 0.00 H new ATOM 0 HD1 HIS A 25 4.256 -6.382 -2.047 1.00 0.00 H new ATOM 0 HD2 HIS A 25 1.182 -3.560 -2.579 1.00 0.00 H new ATOM 0 HE1 HIS A 25 2.167 -7.307 -0.904 1.00 0.00 H new ATOM 427 N ASP A 26 5.711 -5.872 -5.494 1.00 0.00 N ATOM 428 CA ASP A 26 5.544 -7.054 -6.388 1.00 0.00 C ATOM 429 C ASP A 26 6.536 -8.142 -5.962 1.00 0.00 C ATOM 430 O ASP A 26 7.676 -8.155 -6.382 1.00 0.00 O ATOM 431 CB ASP A 26 5.818 -6.645 -7.836 1.00 0.00 C ATOM 432 CG ASP A 26 4.734 -5.677 -8.310 1.00 0.00 C ATOM 433 OD1 ASP A 26 3.691 -5.631 -7.677 1.00 0.00 O ATOM 434 OD2 ASP A 26 4.964 -4.997 -9.296 1.00 0.00 O ATOM 0 H ASP A 26 6.250 -5.100 -5.886 1.00 0.00 H new ATOM 0 HA ASP A 26 4.525 -7.434 -6.313 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.798 -6.175 -7.912 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.837 -7.527 -8.476 1.00 0.00 H new ATOM 439 N ILE A 27 6.117 -9.041 -5.113 1.00 0.00 N ATOM 440 CA ILE A 27 7.027 -10.111 -4.632 1.00 0.00 C ATOM 441 C ILE A 27 7.236 -11.175 -5.718 1.00 0.00 C ATOM 442 O ILE A 27 8.355 -11.516 -6.048 1.00 0.00 O ATOM 443 CB ILE A 27 6.398 -10.742 -3.392 1.00 0.00 C ATOM 444 CG1 ILE A 27 6.003 -9.635 -2.410 1.00 0.00 C ATOM 445 CG2 ILE A 27 7.396 -11.672 -2.716 1.00 0.00 C ATOM 446 CD1 ILE A 27 5.445 -10.260 -1.129 1.00 0.00 C ATOM 0 H ILE A 27 5.172 -9.077 -4.730 1.00 0.00 H new ATOM 0 HA ILE A 27 8.002 -9.688 -4.391 1.00 0.00 H new ATOM 0 HB ILE A 27 5.518 -11.313 -3.689 1.00 0.00 H new ATOM 0 HG12 ILE A 27 6.869 -9.016 -2.177 1.00 0.00 H new ATOM 0 HG13 ILE A 27 5.257 -8.982 -2.863 1.00 0.00 H new ATOM 0 HG21 ILE A 27 6.938 -12.117 -1.833 1.00 0.00 H new ATOM 0 HG22 ILE A 27 7.687 -12.460 -3.410 1.00 0.00 H new ATOM 0 HG23 ILE A 27 8.279 -11.105 -2.420 1.00 0.00 H new ATOM 0 HD11 ILE A 27 5.164 -9.471 -0.431 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.568 -10.861 -1.369 1.00 0.00 H new ATOM 0 HD13 ILE A 27 6.205 -10.894 -0.673 1.00 0.00 H new ATOM 458 N ASN A 28 6.182 -11.712 -6.271 1.00 0.00 N ATOM 459 CA ASN A 28 6.345 -12.761 -7.326 1.00 0.00 C ATOM 460 C ASN A 28 6.478 -12.106 -8.702 1.00 0.00 C ATOM 461 O ASN A 28 6.410 -12.768 -9.719 1.00 0.00 O ATOM 462 CB ASN A 28 5.134 -13.696 -7.314 1.00 0.00 C ATOM 463 CG ASN A 28 4.978 -14.315 -5.923 1.00 0.00 C ATOM 464 OD1 ASN A 28 5.839 -14.019 -4.984 1.00 0.00 O flip ATOM 465 ND2 ASN A 28 4.062 -15.078 -5.685 1.00 0.00 N flip ATOM 0 H ASN A 28 5.217 -11.473 -6.041 1.00 0.00 H new ATOM 0 HA ASN A 28 7.248 -13.336 -7.119 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.233 -13.144 -7.581 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.260 -14.480 -8.060 1.00 0.00 H new ATOM 0 HD21 ASN A 28 3.389 -15.311 -6.415 1.00 0.00 H new ATOM 0 HD22 ASN A 28 3.966 -15.486 -4.755 1.00 0.00 H new ATOM 472 N SER A 29 6.688 -10.818 -8.746 1.00 0.00 N ATOM 473 CA SER A 29 6.849 -10.127 -10.059 1.00 0.00 C ATOM 474 C SER A 29 5.798 -10.619 -11.060 1.00 0.00 C ATOM 475 O SER A 29 6.126 -11.072 -12.140 1.00 0.00 O ATOM 476 CB SER A 29 8.249 -10.404 -10.605 1.00 0.00 C ATOM 477 OG SER A 29 9.176 -10.426 -9.528 1.00 0.00 O ATOM 0 H SER A 29 6.755 -10.213 -7.928 1.00 0.00 H new ATOM 0 HA SER A 29 6.713 -9.055 -9.914 1.00 0.00 H new ATOM 0 HB2 SER A 29 8.264 -11.358 -11.133 1.00 0.00 H new ATOM 0 HB3 SER A 29 8.529 -9.636 -11.326 1.00 0.00 H new ATOM 0 HG SER A 29 10.075 -10.605 -9.874 1.00 0.00 H new ATOM 483 N ASP A 30 4.538 -10.525 -10.721 1.00 0.00 N ATOM 484 CA ASP A 30 3.466 -10.975 -11.661 1.00 0.00 C ATOM 485 C ASP A 30 2.917 -9.753 -12.398 1.00 0.00 C ATOM 486 O ASP A 30 2.064 -9.856 -13.258 1.00 0.00 O ATOM 487 CB ASP A 30 2.338 -11.638 -10.866 1.00 0.00 C ATOM 488 CG ASP A 30 1.286 -12.187 -11.831 1.00 0.00 C ATOM 489 OD1 ASP A 30 0.506 -11.398 -12.337 1.00 0.00 O ATOM 490 OD2 ASP A 30 1.277 -13.388 -12.046 1.00 0.00 O ATOM 0 H ASP A 30 4.204 -10.155 -9.831 1.00 0.00 H new ATOM 0 HA ASP A 30 3.872 -11.691 -12.376 1.00 0.00 H new ATOM 0 HB2 ASP A 30 2.738 -12.444 -10.251 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.883 -10.915 -10.189 1.00 0.00 H new ATOM 495 N GLY A 31 3.403 -8.592 -12.053 1.00 0.00 N ATOM 496 CA GLY A 31 2.925 -7.341 -12.708 1.00 0.00 C ATOM 497 C GLY A 31 1.543 -6.974 -12.166 1.00 0.00 C ATOM 498 O GLY A 31 0.967 -5.976 -12.554 1.00 0.00 O ATOM 0 H GLY A 31 4.118 -8.455 -11.338 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.628 -6.529 -12.521 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.878 -7.479 -13.788 1.00 0.00 H new ATOM 502 N VAL A 32 1.014 -7.753 -11.252 1.00 0.00 N ATOM 503 CA VAL A 32 -0.324 -7.426 -10.660 1.00 0.00 C ATOM 504 C VAL A 32 -0.310 -7.807 -9.171 1.00 0.00 C ATOM 505 O VAL A 32 0.540 -8.557 -8.734 1.00 0.00 O ATOM 506 CB VAL A 32 -1.441 -8.196 -11.410 1.00 0.00 C ATOM 507 CG1 VAL A 32 -1.061 -8.352 -12.883 1.00 0.00 C ATOM 508 CG2 VAL A 32 -1.667 -9.584 -10.795 1.00 0.00 C ATOM 0 H VAL A 32 1.450 -8.601 -10.890 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.525 -6.359 -10.760 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.364 -7.623 -11.322 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.849 -8.894 -13.407 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.937 -7.367 -13.333 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.126 -8.907 -12.961 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.456 -10.100 -11.342 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.745 -10.163 -10.855 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.960 -9.476 -9.751 1.00 0.00 H new ATOM 518 N LEU A 33 -1.258 -7.327 -8.401 1.00 0.00 N ATOM 519 CA LEU A 33 -1.318 -7.702 -6.933 1.00 0.00 C ATOM 520 C LEU A 33 -2.597 -8.514 -6.691 1.00 0.00 C ATOM 521 O LEU A 33 -3.676 -8.111 -7.077 1.00 0.00 O ATOM 522 CB LEU A 33 -1.323 -6.445 -6.029 1.00 0.00 C ATOM 523 CG LEU A 33 -0.084 -5.574 -6.300 1.00 0.00 C ATOM 524 CD1 LEU A 33 -0.076 -4.397 -5.319 1.00 0.00 C ATOM 525 CD2 LEU A 33 1.198 -6.403 -6.107 1.00 0.00 C ATOM 0 H LEU A 33 -1.994 -6.694 -8.715 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.435 -8.289 -6.682 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.228 -5.865 -6.210 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.341 -6.745 -4.981 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.120 -5.207 -7.326 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.799 -3.775 -5.505 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.979 -3.803 -5.456 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.042 -4.775 -4.297 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.069 -5.777 -6.301 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.240 -6.775 -5.083 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.195 -7.245 -6.799 1.00 0.00 H new ATOM 537 N ASP A 34 -2.482 -9.664 -6.062 1.00 0.00 N ATOM 538 CA ASP A 34 -3.691 -10.522 -5.800 1.00 0.00 C ATOM 539 C ASP A 34 -4.044 -10.483 -4.306 1.00 0.00 C ATOM 540 O ASP A 34 -3.254 -10.074 -3.477 1.00 0.00 O ATOM 541 CB ASP A 34 -3.402 -11.970 -6.229 1.00 0.00 C ATOM 542 CG ASP A 34 -2.360 -12.587 -5.294 1.00 0.00 C ATOM 543 OD1 ASP A 34 -1.762 -11.845 -4.533 1.00 0.00 O ATOM 544 OD2 ASP A 34 -2.176 -13.792 -5.358 1.00 0.00 O ATOM 0 H ASP A 34 -1.602 -10.047 -5.718 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.534 -10.139 -6.375 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.320 -12.557 -6.204 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -3.039 -11.989 -7.257 1.00 0.00 H new ATOM 549 N GLU A 35 -5.234 -10.901 -3.967 1.00 0.00 N ATOM 550 CA GLU A 35 -5.677 -10.895 -2.539 1.00 0.00 C ATOM 551 C GLU A 35 -4.641 -11.603 -1.655 1.00 0.00 C ATOM 552 O GLU A 35 -4.696 -11.529 -0.443 1.00 0.00 O ATOM 553 CB GLU A 35 -7.038 -11.611 -2.442 1.00 0.00 C ATOM 554 CG GLU A 35 -7.908 -10.976 -1.350 1.00 0.00 C ATOM 555 CD GLU A 35 -7.239 -11.153 0.014 1.00 0.00 C ATOM 556 OE1 GLU A 35 -7.468 -12.178 0.635 1.00 0.00 O ATOM 557 OE2 GLU A 35 -6.510 -10.262 0.414 1.00 0.00 O ATOM 0 H GLU A 35 -5.929 -11.251 -4.627 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.774 -9.867 -2.189 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.552 -11.556 -3.401 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.884 -12.668 -2.223 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.054 -9.916 -1.559 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.895 -11.438 -1.344 1.00 0.00 H new ATOM 564 N GLN A 36 -3.699 -12.278 -2.237 1.00 0.00 N ATOM 565 CA GLN A 36 -2.669 -12.976 -1.416 1.00 0.00 C ATOM 566 C GLN A 36 -1.579 -11.984 -1.011 1.00 0.00 C ATOM 567 O GLN A 36 -1.048 -12.046 0.080 1.00 0.00 O ATOM 568 CB GLN A 36 -2.045 -14.112 -2.228 1.00 0.00 C ATOM 569 CG GLN A 36 -3.144 -15.068 -2.695 1.00 0.00 C ATOM 570 CD GLN A 36 -3.626 -15.914 -1.510 1.00 0.00 C ATOM 571 OE1 GLN A 36 -3.085 -15.746 -0.330 1.00 0.00 O flip ATOM 572 NE2 GLN A 36 -4.508 -16.736 -1.659 1.00 0.00 N flip ATOM 0 H GLN A 36 -3.593 -12.380 -3.246 1.00 0.00 H new ATOM 0 HA GLN A 36 -3.140 -13.386 -0.522 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -1.510 -13.708 -3.088 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.315 -14.648 -1.622 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -3.977 -14.504 -3.115 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -2.766 -15.715 -3.487 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -4.931 -16.869 -2.577 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -4.825 -17.293 -0.866 1.00 0.00 H new ATOM 581 N GLU A 37 -1.238 -11.068 -1.875 1.00 0.00 N ATOM 582 CA GLU A 37 -0.182 -10.082 -1.519 1.00 0.00 C ATOM 583 C GLU A 37 -0.745 -9.085 -0.499 1.00 0.00 C ATOM 584 O GLU A 37 -0.045 -8.624 0.376 1.00 0.00 O ATOM 585 CB GLU A 37 0.298 -9.350 -2.781 1.00 0.00 C ATOM 586 CG GLU A 37 1.197 -10.287 -3.593 1.00 0.00 C ATOM 587 CD GLU A 37 1.715 -9.557 -4.833 1.00 0.00 C ATOM 588 OE1 GLU A 37 2.625 -8.756 -4.687 1.00 0.00 O ATOM 589 OE2 GLU A 37 1.195 -9.809 -5.907 1.00 0.00 O ATOM 0 H GLU A 37 -1.642 -10.961 -2.805 1.00 0.00 H new ATOM 0 HA GLU A 37 0.670 -10.599 -1.078 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.556 -9.035 -3.381 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.845 -8.448 -2.507 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.034 -10.624 -2.981 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.640 -11.176 -3.889 1.00 0.00 H new ATOM 596 N LEU A 38 -2.012 -8.766 -0.592 1.00 0.00 N ATOM 597 CA LEU A 38 -2.619 -7.818 0.390 1.00 0.00 C ATOM 598 C LEU A 38 -2.992 -8.583 1.668 1.00 0.00 C ATOM 599 O LEU A 38 -2.859 -8.070 2.760 1.00 0.00 O ATOM 600 CB LEU A 38 -3.883 -7.161 -0.214 1.00 0.00 C ATOM 601 CG LEU A 38 -3.751 -7.007 -1.746 1.00 0.00 C ATOM 602 CD1 LEU A 38 -4.965 -6.240 -2.298 1.00 0.00 C ATOM 603 CD2 LEU A 38 -2.474 -6.231 -2.115 1.00 0.00 C ATOM 0 H LEU A 38 -2.650 -9.121 -1.304 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.898 -7.036 0.628 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.759 -7.767 0.020 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.041 -6.183 0.241 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.701 -8.006 -2.180 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.868 -6.134 -3.378 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.878 -6.790 -2.068 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.011 -5.252 -1.839 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.406 -6.137 -3.199 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.509 -5.238 -1.666 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.602 -6.767 -1.742 1.00 0.00 H new ATOM 615 N GLU A 39 -3.439 -9.805 1.554 1.00 0.00 N ATOM 616 CA GLU A 39 -3.793 -10.573 2.772 1.00 0.00 C ATOM 617 C GLU A 39 -2.546 -10.718 3.648 1.00 0.00 C ATOM 618 O GLU A 39 -2.604 -10.593 4.855 1.00 0.00 O ATOM 619 CB GLU A 39 -4.302 -11.955 2.360 1.00 0.00 C ATOM 620 CG GLU A 39 -4.515 -12.808 3.606 1.00 0.00 C ATOM 621 CD GLU A 39 -5.325 -14.053 3.243 1.00 0.00 C ATOM 622 OE1 GLU A 39 -5.083 -14.604 2.182 1.00 0.00 O ATOM 623 OE2 GLU A 39 -6.174 -14.433 4.032 1.00 0.00 O ATOM 0 H GLU A 39 -3.572 -10.299 0.672 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.571 -10.054 3.332 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.236 -11.861 1.806 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.585 -12.436 1.695 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.553 -13.098 4.029 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.038 -12.231 4.369 1.00 0.00 H new ATOM 630 N ALA A 40 -1.419 -10.989 3.049 1.00 0.00 N ATOM 631 CA ALA A 40 -0.169 -11.150 3.843 1.00 0.00 C ATOM 632 C ALA A 40 0.333 -9.788 4.337 1.00 0.00 C ATOM 633 O ALA A 40 0.968 -9.688 5.367 1.00 0.00 O ATOM 634 CB ALA A 40 0.901 -11.796 2.973 1.00 0.00 C ATOM 0 H ALA A 40 -1.310 -11.106 2.042 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.380 -11.781 4.706 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.817 -11.915 3.551 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.555 -12.773 2.636 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.098 -11.163 2.108 1.00 0.00 H new ATOM 640 N LEU A 41 0.064 -8.737 3.606 1.00 0.00 N ATOM 641 CA LEU A 41 0.540 -7.386 4.038 1.00 0.00 C ATOM 642 C LEU A 41 -0.346 -6.850 5.178 1.00 0.00 C ATOM 643 O LEU A 41 0.079 -6.033 5.968 1.00 0.00 O ATOM 644 CB LEU A 41 0.513 -6.416 2.831 1.00 0.00 C ATOM 645 CG LEU A 41 1.706 -5.450 2.882 1.00 0.00 C ATOM 646 CD1 LEU A 41 1.625 -4.485 1.695 1.00 0.00 C ATOM 647 CD2 LEU A 41 1.676 -4.653 4.192 1.00 0.00 C ATOM 0 H LEU A 41 -0.462 -8.754 2.732 1.00 0.00 H new ATOM 0 HA LEU A 41 1.563 -7.466 4.406 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.539 -6.984 1.901 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.419 -5.851 2.833 1.00 0.00 H new ATOM 0 HG LEU A 41 2.634 -6.019 2.832 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.470 -3.797 1.727 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.653 -5.051 0.764 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.695 -3.920 1.749 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.525 -3.970 4.222 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.749 -4.083 4.250 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.733 -5.339 5.037 1.00 0.00 H new ATOM 659 N PHE A 42 -1.573 -7.296 5.276 1.00 0.00 N ATOM 660 CA PHE A 42 -2.452 -6.785 6.373 1.00 0.00 C ATOM 661 C PHE A 42 -2.088 -7.501 7.675 1.00 0.00 C ATOM 662 O PHE A 42 -1.874 -6.881 8.699 1.00 0.00 O ATOM 663 CB PHE A 42 -3.942 -7.034 6.044 1.00 0.00 C ATOM 664 CG PHE A 42 -4.430 -6.035 4.995 1.00 0.00 C ATOM 665 CD1 PHE A 42 -4.368 -4.651 5.250 1.00 0.00 C ATOM 666 CD2 PHE A 42 -4.933 -6.485 3.756 1.00 0.00 C ATOM 667 CE1 PHE A 42 -4.803 -3.738 4.281 1.00 0.00 C ATOM 668 CE2 PHE A 42 -5.360 -5.564 2.794 1.00 0.00 C ATOM 669 CZ PHE A 42 -5.293 -4.193 3.055 1.00 0.00 C ATOM 0 H PHE A 42 -2.000 -7.982 4.654 1.00 0.00 H new ATOM 0 HA PHE A 42 -2.299 -5.711 6.478 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -4.075 -8.051 5.676 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -4.541 -6.942 6.950 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -3.984 -4.293 6.194 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -4.988 -7.544 3.550 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -4.759 -2.678 4.483 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -5.743 -5.914 1.847 1.00 0.00 H new ATOM 0 HZ PHE A 42 -5.620 -3.485 2.308 1.00 0.00 H new ATOM 679 N THR A 43 -2.014 -8.803 7.645 1.00 0.00 N ATOM 680 CA THR A 43 -1.668 -9.567 8.876 1.00 0.00 C ATOM 681 C THR A 43 -0.251 -9.211 9.345 1.00 0.00 C ATOM 682 O THR A 43 0.010 -9.092 10.525 1.00 0.00 O ATOM 683 CB THR A 43 -1.742 -11.066 8.563 1.00 0.00 C ATOM 684 OG1 THR A 43 -3.094 -11.425 8.310 1.00 0.00 O ATOM 685 CG2 THR A 43 -1.215 -11.874 9.752 1.00 0.00 C ATOM 0 H THR A 43 -2.179 -9.373 6.816 1.00 0.00 H new ATOM 0 HA THR A 43 -2.371 -9.312 9.669 1.00 0.00 H new ATOM 0 HB THR A 43 -1.132 -11.282 7.686 1.00 0.00 H new ATOM 0 HG1 THR A 43 -3.146 -12.382 8.108 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.271 -12.938 9.522 1.00 0.00 H new ATOM 0 HG22 THR A 43 -0.179 -11.599 9.948 1.00 0.00 H new ATOM 0 HG23 THR A 43 -1.820 -11.661 10.633 1.00 0.00 H new ATOM 1057 N ARG A 66 -8.776 -3.731 10.842 1.00 0.00 N ATOM 1058 CA ARG A 66 -8.500 -4.579 9.644 1.00 0.00 C ATOM 1059 C ARG A 66 -9.544 -4.281 8.557 1.00 0.00 C ATOM 1060 O ARG A 66 -9.216 -4.111 7.400 1.00 0.00 O ATOM 1061 CB ARG A 66 -8.571 -6.075 10.045 1.00 0.00 C ATOM 1062 CG ARG A 66 -7.172 -6.622 10.379 1.00 0.00 C ATOM 1063 CD ARG A 66 -7.249 -8.144 10.543 1.00 0.00 C ATOM 1064 NE ARG A 66 -8.555 -8.515 11.159 1.00 0.00 N ATOM 1065 CZ ARG A 66 -8.971 -9.750 11.106 1.00 0.00 C ATOM 1066 NH1 ARG A 66 -8.243 -10.661 10.518 1.00 0.00 N ATOM 1067 NH2 ARG A 66 -10.117 -10.077 11.640 1.00 0.00 N ATOM 0 HA ARG A 66 -7.505 -4.357 9.258 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -9.227 -6.194 10.907 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -9.007 -6.653 9.230 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.470 -6.365 9.586 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -6.799 -6.164 11.295 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.142 -8.630 9.573 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -6.428 -8.495 11.168 1.00 0.00 H new ATOM 0 HE ARG A 66 -9.122 -7.804 11.621 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.348 -10.407 10.100 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.569 -11.627 10.477 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -10.687 -9.366 12.099 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -10.442 -11.043 11.598 1.00 0.00 H new ATOM 1081 N LEU A 67 -10.795 -4.231 8.919 1.00 0.00 N ATOM 1082 CA LEU A 67 -11.853 -3.962 7.903 1.00 0.00 C ATOM 1083 C LEU A 67 -11.723 -2.531 7.372 1.00 0.00 C ATOM 1084 O LEU A 67 -12.099 -2.241 6.255 1.00 0.00 O ATOM 1085 CB LEU A 67 -13.235 -4.149 8.539 1.00 0.00 C ATOM 1086 CG LEU A 67 -13.395 -5.592 9.038 1.00 0.00 C ATOM 1087 CD1 LEU A 67 -14.618 -5.676 9.955 1.00 0.00 C ATOM 1088 CD2 LEU A 67 -13.580 -6.554 7.851 1.00 0.00 C ATOM 0 H LEU A 67 -11.132 -4.364 9.873 1.00 0.00 H new ATOM 0 HA LEU A 67 -11.734 -4.660 7.074 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -13.359 -3.453 9.369 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -14.013 -3.919 7.811 1.00 0.00 H new ATOM 0 HG LEU A 67 -12.497 -5.878 9.586 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -14.736 -6.699 10.312 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -14.481 -5.008 10.806 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -15.509 -5.380 9.401 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -13.692 -7.573 8.222 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -14.471 -6.272 7.290 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -12.708 -6.499 7.199 1.00 0.00 H new ATOM 1100 N ARG A 68 -11.204 -1.630 8.159 1.00 0.00 N ATOM 1101 CA ARG A 68 -11.068 -0.220 7.688 1.00 0.00 C ATOM 1102 C ARG A 68 -10.091 -0.160 6.503 1.00 0.00 C ATOM 1103 O ARG A 68 -10.327 0.528 5.530 1.00 0.00 O ATOM 1104 CB ARG A 68 -10.549 0.659 8.852 1.00 0.00 C ATOM 1105 CG ARG A 68 -11.721 1.357 9.578 1.00 0.00 C ATOM 1106 CD ARG A 68 -12.043 2.694 8.896 1.00 0.00 C ATOM 1107 NE ARG A 68 -11.022 3.706 9.287 1.00 0.00 N ATOM 1108 CZ ARG A 68 -10.912 4.817 8.611 1.00 0.00 C ATOM 1109 NH1 ARG A 68 -11.700 5.043 7.595 1.00 0.00 N ATOM 1110 NH2 ARG A 68 -10.015 5.702 8.950 1.00 0.00 N ATOM 0 H ARG A 68 -10.868 -1.807 9.106 1.00 0.00 H new ATOM 0 HA ARG A 68 -12.039 0.153 7.361 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -9.993 0.043 9.559 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -9.856 1.407 8.467 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -12.601 0.713 9.567 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -11.462 1.526 10.623 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -12.052 2.570 7.813 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -13.037 3.033 9.186 1.00 0.00 H new ATOM 0 HE ARG A 68 -10.409 3.531 10.083 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -12.401 4.351 7.330 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -11.614 5.911 7.066 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -9.399 5.526 9.744 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -9.930 6.570 8.421 1.00 0.00 H new ATOM 1124 N MET A 69 -8.996 -0.868 6.577 1.00 0.00 N ATOM 1125 CA MET A 69 -8.012 -0.836 5.452 1.00 0.00 C ATOM 1126 C MET A 69 -8.430 -1.840 4.371 1.00 0.00 C ATOM 1127 O MET A 69 -8.496 -1.511 3.203 1.00 0.00 O ATOM 1128 CB MET A 69 -6.602 -1.180 5.971 1.00 0.00 C ATOM 1129 CG MET A 69 -6.364 -0.552 7.356 1.00 0.00 C ATOM 1130 SD MET A 69 -4.588 -0.288 7.591 1.00 0.00 S ATOM 1131 CE MET A 69 -4.610 -0.176 9.398 1.00 0.00 C ATOM 0 H MET A 69 -8.739 -1.465 7.363 1.00 0.00 H new ATOM 0 HA MET A 69 -7.994 0.166 5.024 1.00 0.00 H new ATOM 0 HB2 MET A 69 -6.485 -2.262 6.032 1.00 0.00 H new ATOM 0 HB3 MET A 69 -5.852 -0.818 5.268 1.00 0.00 H new ATOM 0 HG2 MET A 69 -6.899 0.395 7.436 1.00 0.00 H new ATOM 0 HG3 MET A 69 -6.753 -1.205 8.137 1.00 0.00 H new ATOM 0 HE1 MET A 69 -3.597 -0.011 9.765 1.00 0.00 H new ATOM 0 HE2 MET A 69 -5.247 0.654 9.703 1.00 0.00 H new ATOM 0 HE3 MET A 69 -5.000 -1.104 9.815 1.00 0.00 H new ATOM 1141 N ARG A 70 -8.708 -3.056 4.743 1.00 0.00 N ATOM 1142 CA ARG A 70 -9.114 -4.074 3.730 1.00 0.00 C ATOM 1143 C ARG A 70 -10.323 -3.584 2.916 1.00 0.00 C ATOM 1144 O ARG A 70 -10.413 -3.833 1.730 1.00 0.00 O ATOM 1145 CB ARG A 70 -9.481 -5.376 4.443 1.00 0.00 C ATOM 1146 CG ARG A 70 -9.618 -6.502 3.418 1.00 0.00 C ATOM 1147 CD ARG A 70 -9.992 -7.802 4.136 1.00 0.00 C ATOM 1148 NE ARG A 70 -8.892 -8.189 5.064 1.00 0.00 N ATOM 1149 CZ ARG A 70 -9.105 -9.081 5.992 1.00 0.00 C ATOM 1150 NH1 ARG A 70 -10.280 -9.636 6.107 1.00 0.00 N ATOM 1151 NH2 ARG A 70 -8.142 -9.418 6.807 1.00 0.00 N ATOM 0 H ARG A 70 -8.672 -3.392 5.705 1.00 0.00 H new ATOM 0 HA ARG A 70 -8.279 -4.239 3.049 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -8.715 -5.629 5.176 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.416 -5.252 4.989 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -10.381 -6.248 2.682 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -8.682 -6.630 2.875 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -10.921 -7.670 4.691 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -10.165 -8.595 3.409 1.00 0.00 H new ATOM 0 HE ARG A 70 -7.973 -7.757 4.974 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -11.033 -9.373 5.471 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -10.446 -10.333 6.833 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.223 -8.984 6.718 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -8.309 -10.115 7.533 1.00 0.00 H new ATOM 1165 N GLU A 71 -11.259 -2.911 3.530 1.00 0.00 N ATOM 1166 CA GLU A 71 -12.456 -2.442 2.761 1.00 0.00 C ATOM 1167 C GLU A 71 -12.146 -1.140 2.014 1.00 0.00 C ATOM 1168 O GLU A 71 -12.379 -1.030 0.827 1.00 0.00 O ATOM 1169 CB GLU A 71 -13.624 -2.207 3.722 1.00 0.00 C ATOM 1170 CG GLU A 71 -13.965 -3.513 4.441 1.00 0.00 C ATOM 1171 CD GLU A 71 -15.034 -3.247 5.503 1.00 0.00 C ATOM 1172 OE1 GLU A 71 -14.888 -2.281 6.232 1.00 0.00 O ATOM 1173 OE2 GLU A 71 -15.978 -4.015 5.569 1.00 0.00 O ATOM 0 H GLU A 71 -11.251 -2.666 4.520 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.721 -3.209 2.034 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -13.362 -1.438 4.448 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -14.493 -1.844 3.173 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -14.325 -4.252 3.725 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -13.071 -3.929 4.906 1.00 0.00 H new ATOM 1180 N HIS A 72 -11.634 -0.151 2.693 1.00 0.00 N ATOM 1181 CA HIS A 72 -11.327 1.140 2.009 1.00 0.00 C ATOM 1182 C HIS A 72 -10.433 0.890 0.788 1.00 0.00 C ATOM 1183 O HIS A 72 -10.581 1.533 -0.232 1.00 0.00 O ATOM 1184 CB HIS A 72 -10.622 2.091 2.985 1.00 0.00 C ATOM 1185 CG HIS A 72 -10.640 3.490 2.429 1.00 0.00 C ATOM 1186 ND1 HIS A 72 -9.623 3.980 1.626 1.00 0.00 N ATOM 1187 CD2 HIS A 72 -11.545 4.515 2.554 1.00 0.00 C ATOM 1188 CE1 HIS A 72 -9.937 5.246 1.300 1.00 0.00 C ATOM 1189 NE2 HIS A 72 -11.099 5.624 1.841 1.00 0.00 N ATOM 0 H HIS A 72 -11.415 -0.179 3.689 1.00 0.00 H new ATOM 0 HA HIS A 72 -12.260 1.595 1.676 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -11.120 2.068 3.955 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -9.594 1.766 3.146 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -12.464 4.468 3.120 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -9.324 5.880 0.677 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -11.560 6.530 1.751 1.00 0.00 H new ATOM 1197 N VAL A 73 -9.511 -0.029 0.868 1.00 0.00 N ATOM 1198 CA VAL A 73 -8.635 -0.285 -0.314 1.00 0.00 C ATOM 1199 C VAL A 73 -9.418 -1.059 -1.378 1.00 0.00 C ATOM 1200 O VAL A 73 -9.493 -0.657 -2.521 1.00 0.00 O ATOM 1201 CB VAL A 73 -7.409 -1.102 0.108 1.00 0.00 C ATOM 1202 CG1 VAL A 73 -6.619 -1.515 -1.139 1.00 0.00 C ATOM 1203 CG2 VAL A 73 -6.516 -0.252 1.016 1.00 0.00 C ATOM 0 H VAL A 73 -9.326 -0.608 1.687 1.00 0.00 H new ATOM 0 HA VAL A 73 -8.307 0.670 -0.724 1.00 0.00 H new ATOM 0 HB VAL A 73 -7.734 -1.992 0.647 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.746 -2.096 -0.841 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -7.253 -2.119 -1.788 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -6.295 -0.624 -1.676 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.644 -0.833 1.316 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.191 0.638 0.477 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -7.076 0.045 1.902 1.00 0.00 H new ATOM 1213 N MET A 74 -9.995 -2.170 -1.013 1.00 0.00 N ATOM 1214 CA MET A 74 -10.760 -2.972 -2.008 1.00 0.00 C ATOM 1215 C MET A 74 -11.996 -2.199 -2.476 1.00 0.00 C ATOM 1216 O MET A 74 -12.627 -2.573 -3.436 1.00 0.00 O ATOM 1217 CB MET A 74 -11.194 -4.307 -1.384 1.00 0.00 C ATOM 1218 CG MET A 74 -9.971 -5.208 -1.145 1.00 0.00 C ATOM 1219 SD MET A 74 -10.501 -6.943 -1.100 1.00 0.00 S ATOM 1220 CE MET A 74 -10.021 -7.394 -2.790 1.00 0.00 C ATOM 0 H MET A 74 -9.970 -2.557 -0.070 1.00 0.00 H new ATOM 0 HA MET A 74 -10.117 -3.167 -2.866 1.00 0.00 H new ATOM 0 HB2 MET A 74 -11.710 -4.125 -0.441 1.00 0.00 H new ATOM 0 HB3 MET A 74 -11.902 -4.811 -2.042 1.00 0.00 H new ATOM 0 HG2 MET A 74 -9.237 -5.061 -1.937 1.00 0.00 H new ATOM 0 HG3 MET A 74 -9.486 -4.940 -0.207 1.00 0.00 H new ATOM 0 HE1 MET A 74 -10.265 -8.441 -2.971 1.00 0.00 H new ATOM 0 HE2 MET A 74 -10.560 -6.768 -3.501 1.00 0.00 H new ATOM 0 HE3 MET A 74 -8.949 -7.245 -2.916 1.00 0.00 H new ATOM 1230 N LYS A 75 -12.376 -1.146 -1.807 1.00 0.00 N ATOM 1231 CA LYS A 75 -13.594 -0.395 -2.245 1.00 0.00 C ATOM 1232 C LYS A 75 -13.223 0.698 -3.260 1.00 0.00 C ATOM 1233 O LYS A 75 -13.955 0.954 -4.194 1.00 0.00 O ATOM 1234 CB LYS A 75 -14.248 0.258 -1.027 1.00 0.00 C ATOM 1235 CG LYS A 75 -15.599 0.852 -1.429 1.00 0.00 C ATOM 1236 CD LYS A 75 -16.313 1.381 -0.183 1.00 0.00 C ATOM 1237 CE LYS A 75 -17.594 2.092 -0.589 1.00 0.00 C ATOM 1238 NZ LYS A 75 -18.456 2.289 0.609 1.00 0.00 N ATOM 0 H LYS A 75 -11.904 -0.773 -0.983 1.00 0.00 H new ATOM 0 HA LYS A 75 -14.284 -1.095 -2.717 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -14.384 -0.479 -0.235 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -13.600 1.038 -0.628 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -15.455 1.658 -2.149 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -16.211 0.094 -1.918 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -16.542 0.558 0.494 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -15.661 2.067 0.358 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -17.359 3.055 -1.043 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -18.125 1.506 -1.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -19.332 2.775 0.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -18.690 1.365 1.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -17.949 2.865 1.311 1.00 0.00 H new ATOM 1252 N ASN A 76 -12.113 1.368 -3.066 1.00 0.00 N ATOM 1253 CA ASN A 76 -11.717 2.476 -4.001 1.00 0.00 C ATOM 1254 C ASN A 76 -10.618 2.044 -4.984 1.00 0.00 C ATOM 1255 O ASN A 76 -10.481 2.637 -6.035 1.00 0.00 O ATOM 1256 CB ASN A 76 -11.220 3.671 -3.182 1.00 0.00 C ATOM 1257 CG ASN A 76 -9.889 3.320 -2.516 1.00 0.00 C ATOM 1258 OD1 ASN A 76 -9.507 2.074 -2.463 1.00 0.00 O flip ATOM 1259 ND2 ASN A 76 -9.188 4.190 -2.038 1.00 0.00 N flip ATOM 0 H ASN A 76 -11.461 1.198 -2.300 1.00 0.00 H new ATOM 0 HA ASN A 76 -12.596 2.746 -4.586 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -11.097 4.541 -3.827 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -11.958 3.938 -2.425 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -9.486 5.165 -2.079 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -8.302 3.946 -1.596 1.00 0.00 H new ATOM 1266 N VAL A 77 -9.837 1.032 -4.688 1.00 0.00 N ATOM 1267 CA VAL A 77 -8.768 0.618 -5.666 1.00 0.00 C ATOM 1268 C VAL A 77 -9.300 -0.511 -6.558 1.00 0.00 C ATOM 1269 O VAL A 77 -8.981 -0.581 -7.729 1.00 0.00 O ATOM 1270 CB VAL A 77 -7.501 0.163 -4.922 1.00 0.00 C ATOM 1271 CG1 VAL A 77 -6.554 -0.550 -5.903 1.00 0.00 C ATOM 1272 CG2 VAL A 77 -6.777 1.393 -4.356 1.00 0.00 C ATOM 0 H VAL A 77 -9.887 0.481 -3.831 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.505 1.473 -6.289 1.00 0.00 H new ATOM 0 HB VAL A 77 -7.783 -0.515 -4.116 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.657 -0.872 -5.374 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.057 -1.419 -6.327 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.277 0.135 -6.704 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.878 1.075 -3.828 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.501 2.060 -5.172 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.437 1.918 -3.665 1.00 0.00 H new ATOM 1282 N ASP A 78 -10.123 -1.381 -6.034 1.00 0.00 N ATOM 1283 CA ASP A 78 -10.678 -2.477 -6.886 1.00 0.00 C ATOM 1284 C ASP A 78 -11.213 -1.879 -8.187 1.00 0.00 C ATOM 1285 O ASP A 78 -12.274 -1.290 -8.231 1.00 0.00 O ATOM 1286 CB ASP A 78 -11.816 -3.181 -6.153 1.00 0.00 C ATOM 1287 CG ASP A 78 -12.981 -2.209 -5.940 1.00 0.00 C ATOM 1288 OD1 ASP A 78 -12.721 -1.079 -5.561 1.00 0.00 O ATOM 1289 OD2 ASP A 78 -14.110 -2.611 -6.163 1.00 0.00 O ATOM 0 H ASP A 78 -10.433 -1.382 -5.062 1.00 0.00 H new ATOM 0 HA ASP A 78 -9.890 -3.198 -7.103 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -12.152 -4.044 -6.728 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -11.464 -3.556 -5.192 1.00 0.00 H new ATOM 1294 N THR A 79 -10.473 -1.999 -9.243 1.00 0.00 N ATOM 1295 CA THR A 79 -10.916 -1.415 -10.533 1.00 0.00 C ATOM 1296 C THR A 79 -12.010 -2.279 -11.172 1.00 0.00 C ATOM 1297 O THR A 79 -13.137 -1.848 -11.312 1.00 0.00 O ATOM 1298 CB THR A 79 -9.698 -1.292 -11.474 1.00 0.00 C ATOM 1299 OG1 THR A 79 -10.020 -1.816 -12.756 1.00 0.00 O ATOM 1300 CG2 THR A 79 -8.477 -2.052 -10.898 1.00 0.00 C ATOM 0 H THR A 79 -9.574 -2.479 -9.271 1.00 0.00 H new ATOM 0 HA THR A 79 -11.338 -0.426 -10.356 1.00 0.00 H new ATOM 0 HB THR A 79 -9.442 -0.236 -11.564 1.00 0.00 H new ATOM 0 HG1 THR A 79 -9.323 -2.445 -13.037 1.00 0.00 H new ATOM 0 HG21 THR A 79 -7.631 -1.951 -11.578 1.00 0.00 H new ATOM 0 HG22 THR A 79 -8.213 -1.634 -9.927 1.00 0.00 H new ATOM 0 HG23 THR A 79 -8.726 -3.107 -10.783 1.00 0.00 H new ATOM 1308 N ASN A 80 -11.694 -3.483 -11.562 1.00 0.00 N ATOM 1309 CA ASN A 80 -12.725 -4.374 -12.199 1.00 0.00 C ATOM 1310 C ASN A 80 -13.152 -5.446 -11.202 1.00 0.00 C ATOM 1311 O ASN A 80 -13.610 -6.508 -11.574 1.00 0.00 O ATOM 1312 CB ASN A 80 -12.152 -5.033 -13.457 1.00 0.00 C ATOM 1313 CG ASN A 80 -13.280 -5.719 -14.230 1.00 0.00 C ATOM 1314 OD1 ASN A 80 -14.413 -5.094 -14.397 1.00 0.00 O flip ATOM 1315 ND2 ASN A 80 -13.129 -6.835 -14.686 1.00 0.00 N flip ATOM 0 H ASN A 80 -10.766 -3.896 -11.470 1.00 0.00 H new ATOM 0 HA ASN A 80 -13.590 -3.774 -12.483 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -11.669 -4.285 -14.085 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -11.388 -5.761 -13.184 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -12.243 -7.324 -14.556 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -13.888 -7.283 -15.199 1.00 0.00 H new ATOM 1322 N GLN A 81 -13.024 -5.154 -9.938 1.00 0.00 N ATOM 1323 CA GLN A 81 -13.432 -6.117 -8.874 1.00 0.00 C ATOM 1324 C GLN A 81 -13.093 -7.557 -9.274 1.00 0.00 C ATOM 1325 O GLN A 81 -13.735 -8.496 -8.847 1.00 0.00 O ATOM 1326 CB GLN A 81 -14.945 -5.993 -8.626 1.00 0.00 C ATOM 1327 CG GLN A 81 -15.233 -4.775 -7.738 1.00 0.00 C ATOM 1328 CD GLN A 81 -14.953 -5.125 -6.273 1.00 0.00 C ATOM 1329 OE1 GLN A 81 -14.231 -6.175 -5.990 1.00 0.00 O flip ATOM 1330 NE2 GLN A 81 -15.398 -4.435 -5.376 1.00 0.00 N flip ATOM 0 H GLN A 81 -12.647 -4.272 -9.590 1.00 0.00 H new ATOM 0 HA GLN A 81 -12.884 -5.878 -7.963 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -15.471 -5.893 -9.576 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -15.319 -6.898 -8.148 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -14.612 -3.934 -8.046 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -16.271 -4.465 -7.856 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -15.962 -3.614 -5.596 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -15.207 -4.677 -4.404 1.00 0.00 H new ATOM 1339 N ASP A 82 -12.076 -7.742 -10.064 1.00 0.00 N ATOM 1340 CA ASP A 82 -11.686 -9.121 -10.460 1.00 0.00 C ATOM 1341 C ASP A 82 -10.806 -9.675 -9.350 1.00 0.00 C ATOM 1342 O ASP A 82 -10.133 -10.674 -9.502 1.00 0.00 O ATOM 1343 CB ASP A 82 -10.897 -9.079 -11.771 1.00 0.00 C ATOM 1344 CG ASP A 82 -9.730 -8.101 -11.634 1.00 0.00 C ATOM 1345 OD1 ASP A 82 -9.887 -7.116 -10.930 1.00 0.00 O ATOM 1346 OD2 ASP A 82 -8.698 -8.352 -12.233 1.00 0.00 O ATOM 0 H ASP A 82 -11.497 -6.998 -10.453 1.00 0.00 H new ATOM 0 HA ASP A 82 -12.566 -9.746 -10.608 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.525 -10.074 -12.015 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -11.548 -8.772 -12.590 1.00 0.00 H new ATOM 1351 N ARG A 83 -10.802 -8.992 -8.239 1.00 0.00 N ATOM 1352 CA ARG A 83 -9.965 -9.407 -7.079 1.00 0.00 C ATOM 1353 C ARG A 83 -8.497 -9.285 -7.480 1.00 0.00 C ATOM 1354 O ARG A 83 -7.604 -9.494 -6.684 1.00 0.00 O ATOM 1355 CB ARG A 83 -10.274 -10.856 -6.650 1.00 0.00 C ATOM 1356 CG ARG A 83 -11.811 -11.094 -6.542 1.00 0.00 C ATOM 1357 CD ARG A 83 -12.277 -10.940 -5.087 1.00 0.00 C ATOM 1358 NE ARG A 83 -13.757 -11.103 -5.021 1.00 0.00 N ATOM 1359 CZ ARG A 83 -14.339 -11.312 -3.872 1.00 0.00 C ATOM 1360 NH1 ARG A 83 -13.627 -11.379 -2.781 1.00 0.00 N ATOM 1361 NH2 ARG A 83 -15.635 -11.453 -3.814 1.00 0.00 N ATOM 0 H ARG A 83 -11.354 -8.148 -8.084 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.187 -8.761 -6.230 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -9.845 -11.551 -7.371 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.803 -11.062 -5.689 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -12.341 -10.384 -7.177 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -12.057 -12.092 -6.905 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -11.790 -11.684 -4.457 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -11.991 -9.961 -4.704 1.00 0.00 H new ATOM 0 HE ARG A 83 -14.315 -11.051 -5.874 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -12.614 -11.268 -2.825 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -14.083 -11.542 -1.883 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -16.192 -11.400 -4.667 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -16.091 -11.616 -2.916 1.00 0.00 H new ATOM 1375 N LEU A 84 -8.249 -8.926 -8.717 1.00 0.00 N ATOM 1376 CA LEU A 84 -6.852 -8.755 -9.213 1.00 0.00 C ATOM 1377 C LEU A 84 -6.723 -7.317 -9.723 1.00 0.00 C ATOM 1378 O LEU A 84 -7.591 -6.810 -10.406 1.00 0.00 O ATOM 1379 CB LEU A 84 -6.602 -9.761 -10.359 1.00 0.00 C ATOM 1380 CG LEU A 84 -5.882 -11.026 -9.834 1.00 0.00 C ATOM 1381 CD1 LEU A 84 -6.797 -11.813 -8.879 1.00 0.00 C ATOM 1382 CD2 LEU A 84 -5.504 -11.909 -11.029 1.00 0.00 C ATOM 0 H LEU A 84 -8.971 -8.742 -9.414 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.120 -8.939 -8.426 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -7.551 -10.041 -10.816 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -6.000 -9.291 -11.136 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.988 -10.729 -9.286 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.273 -12.699 -8.521 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -7.066 -11.183 -8.031 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.701 -12.115 -9.408 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.995 -12.805 -10.673 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.406 -12.195 -11.570 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.841 -11.356 -11.695 1.00 0.00 H new ATOM 1394 N VAL A 85 -5.658 -6.654 -9.367 1.00 0.00 N ATOM 1395 CA VAL A 85 -5.456 -5.227 -9.787 1.00 0.00 C ATOM 1396 C VAL A 85 -4.262 -5.134 -10.740 1.00 0.00 C ATOM 1397 O VAL A 85 -3.206 -5.657 -10.452 1.00 0.00 O ATOM 1398 CB VAL A 85 -5.156 -4.399 -8.537 1.00 0.00 C ATOM 1399 CG1 VAL A 85 -4.774 -2.977 -8.955 1.00 0.00 C ATOM 1400 CG2 VAL A 85 -6.396 -4.361 -7.635 1.00 0.00 C ATOM 0 H VAL A 85 -4.906 -7.040 -8.796 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.349 -4.857 -10.291 1.00 0.00 H new ATOM 0 HB VAL A 85 -4.330 -4.850 -7.987 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.559 -2.382 -8.067 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.890 -3.010 -9.592 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -5.600 -2.525 -9.503 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.180 -3.770 -6.745 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -7.227 -3.910 -8.177 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -6.663 -5.376 -7.341 1.00 0.00 H new ATOM 1410 N THR A 86 -4.402 -4.460 -11.862 1.00 0.00 N ATOM 1411 CA THR A 86 -3.240 -4.341 -12.806 1.00 0.00 C ATOM 1412 C THR A 86 -2.563 -2.981 -12.616 1.00 0.00 C ATOM 1413 O THR A 86 -3.108 -2.088 -12.003 1.00 0.00 O ATOM 1414 CB THR A 86 -3.722 -4.485 -14.244 1.00 0.00 C ATOM 1415 OG1 THR A 86 -4.627 -3.435 -14.552 1.00 0.00 O ATOM 1416 CG2 THR A 86 -4.415 -5.835 -14.418 1.00 0.00 C ATOM 0 H THR A 86 -5.258 -3.993 -12.161 1.00 0.00 H new ATOM 0 HA THR A 86 -2.522 -5.133 -12.594 1.00 0.00 H new ATOM 0 HB THR A 86 -2.868 -4.430 -14.920 1.00 0.00 H new ATOM 0 HG1 THR A 86 -4.934 -3.529 -15.478 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.760 -5.937 -15.447 1.00 0.00 H new ATOM 0 HG22 THR A 86 -3.713 -6.637 -14.189 1.00 0.00 H new ATOM 0 HG23 THR A 86 -5.268 -5.896 -13.742 1.00 0.00 H new ATOM 1424 N LEU A 87 -1.382 -2.817 -13.149 1.00 0.00 N ATOM 1425 CA LEU A 87 -0.665 -1.513 -13.014 1.00 0.00 C ATOM 1426 C LEU A 87 -1.427 -0.452 -13.804 1.00 0.00 C ATOM 1427 O LEU A 87 -1.503 0.696 -13.416 1.00 0.00 O ATOM 1428 CB LEU A 87 0.756 -1.668 -13.598 1.00 0.00 C ATOM 1429 CG LEU A 87 1.516 -0.298 -13.684 1.00 0.00 C ATOM 1430 CD1 LEU A 87 2.442 -0.120 -12.477 1.00 0.00 C ATOM 1431 CD2 LEU A 87 2.360 -0.243 -14.968 1.00 0.00 C ATOM 0 H LEU A 87 -0.880 -3.532 -13.675 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.603 -1.218 -11.967 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.327 -2.360 -12.979 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.692 -2.109 -14.593 1.00 0.00 H new ATOM 0 HG LEU A 87 0.775 0.501 -13.693 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.961 0.836 -12.554 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.853 -0.140 -11.560 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.173 -0.929 -12.457 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.884 0.712 -15.019 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.087 -1.055 -14.961 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.709 -0.346 -15.836 1.00 0.00 H new ATOM 1443 N GLU A 88 -1.969 -0.825 -14.918 1.00 0.00 N ATOM 1444 CA GLU A 88 -2.705 0.153 -15.759 1.00 0.00 C ATOM 1445 C GLU A 88 -3.830 0.812 -14.960 1.00 0.00 C ATOM 1446 O GLU A 88 -3.809 2.000 -14.692 1.00 0.00 O ATOM 1447 CB GLU A 88 -3.312 -0.582 -16.955 1.00 0.00 C ATOM 1448 CG GLU A 88 -2.196 -1.028 -17.901 1.00 0.00 C ATOM 1449 CD GLU A 88 -1.330 -2.082 -17.210 1.00 0.00 C ATOM 1450 OE1 GLU A 88 -1.885 -3.066 -16.748 1.00 0.00 O ATOM 1451 OE2 GLU A 88 -0.127 -1.889 -17.154 1.00 0.00 O ATOM 0 H GLU A 88 -1.936 -1.774 -15.289 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.011 0.924 -16.093 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -3.881 -1.447 -16.613 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -4.009 0.071 -17.480 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -2.623 -1.437 -18.817 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -1.585 -0.172 -18.189 1.00 0.00 H new ATOM 1458 N GLU A 89 -4.828 0.058 -14.606 1.00 0.00 N ATOM 1459 CA GLU A 89 -5.976 0.640 -13.861 1.00 0.00 C ATOM 1460 C GLU A 89 -5.534 1.191 -12.489 1.00 0.00 C ATOM 1461 O GLU A 89 -6.032 2.206 -12.044 1.00 0.00 O ATOM 1462 CB GLU A 89 -7.052 -0.440 -13.667 1.00 0.00 C ATOM 1463 CG GLU A 89 -7.961 -0.541 -14.896 1.00 0.00 C ATOM 1464 CD GLU A 89 -8.811 0.726 -15.015 1.00 0.00 C ATOM 1465 OE1 GLU A 89 -9.674 0.918 -14.175 1.00 0.00 O ATOM 1466 OE2 GLU A 89 -8.585 1.482 -15.946 1.00 0.00 O ATOM 0 H GLU A 89 -4.900 -0.941 -14.801 1.00 0.00 H new ATOM 0 HA GLU A 89 -6.380 1.470 -14.440 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -6.576 -1.403 -13.483 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.651 -0.207 -12.786 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.359 -0.673 -15.795 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.605 -1.416 -14.813 1.00 0.00 H new ATOM 1473 N PHE A 90 -4.632 0.538 -11.802 1.00 0.00 N ATOM 1474 CA PHE A 90 -4.217 1.050 -10.464 1.00 0.00 C ATOM 1475 C PHE A 90 -3.698 2.487 -10.602 1.00 0.00 C ATOM 1476 O PHE A 90 -4.128 3.381 -9.900 1.00 0.00 O ATOM 1477 CB PHE A 90 -3.135 0.123 -9.893 1.00 0.00 C ATOM 1478 CG PHE A 90 -2.266 0.856 -8.891 1.00 0.00 C ATOM 1479 CD1 PHE A 90 -2.700 1.023 -7.572 1.00 0.00 C ATOM 1480 CD2 PHE A 90 -1.028 1.374 -9.292 1.00 0.00 C ATOM 1481 CE1 PHE A 90 -1.897 1.709 -6.652 1.00 0.00 C ATOM 1482 CE2 PHE A 90 -0.225 2.058 -8.374 1.00 0.00 C ATOM 1483 CZ PHE A 90 -0.659 2.227 -7.055 1.00 0.00 C ATOM 0 H PHE A 90 -4.170 -0.319 -12.106 1.00 0.00 H new ATOM 0 HA PHE A 90 -5.066 1.062 -9.781 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -3.603 -0.737 -9.413 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -2.516 -0.262 -10.703 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -3.654 0.623 -7.263 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -0.693 1.245 -10.311 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -2.232 1.839 -5.633 1.00 0.00 H new ATOM 0 HE2 PHE A 90 0.730 2.456 -8.683 1.00 0.00 H new ATOM 0 HZ PHE A 90 -0.039 2.757 -6.347 1.00 0.00 H new ATOM 1493 N LEU A 91 -2.792 2.720 -11.509 1.00 0.00 N ATOM 1494 CA LEU A 91 -2.268 4.100 -11.695 1.00 0.00 C ATOM 1495 C LEU A 91 -3.446 5.067 -11.824 1.00 0.00 C ATOM 1496 O LEU A 91 -3.487 6.100 -11.186 1.00 0.00 O ATOM 1497 CB LEU A 91 -1.420 4.151 -12.968 1.00 0.00 C ATOM 1498 CG LEU A 91 -0.091 3.402 -12.734 1.00 0.00 C ATOM 1499 CD1 LEU A 91 0.653 3.276 -14.069 1.00 0.00 C ATOM 1500 CD2 LEU A 91 0.792 4.160 -11.712 1.00 0.00 C ATOM 0 H LEU A 91 -2.392 2.015 -12.129 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.654 4.383 -10.840 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.963 3.698 -13.797 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.222 5.187 -13.244 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.306 2.412 -12.332 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.594 2.748 -13.913 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.038 2.721 -14.777 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.857 4.270 -14.467 1.00 0.00 H new ATOM 0 HD21 LEU A 91 1.724 3.615 -11.562 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.012 5.158 -12.091 1.00 0.00 H new ATOM 0 HD23 LEU A 91 0.262 4.241 -10.763 1.00 0.00 H new ATOM 1512 N ALA A 92 -4.406 4.736 -12.645 1.00 0.00 N ATOM 1513 CA ALA A 92 -5.584 5.633 -12.815 1.00 0.00 C ATOM 1514 C ALA A 92 -6.169 5.993 -11.445 1.00 0.00 C ATOM 1515 O ALA A 92 -6.251 7.148 -11.079 1.00 0.00 O ATOM 1516 CB ALA A 92 -6.650 4.915 -13.645 1.00 0.00 C ATOM 0 H ALA A 92 -4.425 3.884 -13.205 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.270 6.545 -13.323 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.514 5.568 -13.772 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.240 4.662 -14.623 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -6.957 4.003 -13.133 1.00 0.00 H new ATOM 1522 N SER A 93 -6.589 5.013 -10.689 1.00 0.00 N ATOM 1523 CA SER A 93 -7.180 5.294 -9.352 1.00 0.00 C ATOM 1524 C SER A 93 -6.326 6.312 -8.594 1.00 0.00 C ATOM 1525 O SER A 93 -6.818 7.018 -7.737 1.00 0.00 O ATOM 1526 CB SER A 93 -7.253 3.996 -8.549 1.00 0.00 C ATOM 1527 OG SER A 93 -7.795 4.270 -7.264 1.00 0.00 O ATOM 0 H SER A 93 -6.547 4.026 -10.943 1.00 0.00 H new ATOM 0 HA SER A 93 -8.180 5.705 -9.487 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.873 3.267 -9.070 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.259 3.558 -8.452 1.00 0.00 H new ATOM 0 HG SER A 93 -8.568 3.689 -7.104 1.00 0.00 H new ATOM 1533 N THR A 94 -5.049 6.396 -8.893 1.00 0.00 N ATOM 1534 CA THR A 94 -4.172 7.377 -8.172 1.00 0.00 C ATOM 1535 C THR A 94 -4.010 8.646 -9.013 1.00 0.00 C ATOM 1536 O THR A 94 -3.402 9.607 -8.584 1.00 0.00 O ATOM 1537 CB THR A 94 -2.800 6.751 -7.906 1.00 0.00 C ATOM 1538 OG1 THR A 94 -2.125 6.552 -9.140 1.00 0.00 O ATOM 1539 CG2 THR A 94 -2.979 5.406 -7.199 1.00 0.00 C ATOM 0 H THR A 94 -4.579 5.832 -9.600 1.00 0.00 H new ATOM 0 HA THR A 94 -4.636 7.637 -7.220 1.00 0.00 H new ATOM 0 HB THR A 94 -2.213 7.417 -7.273 1.00 0.00 H new ATOM 0 HG1 THR A 94 -2.717 6.083 -9.765 1.00 0.00 H new ATOM 0 HG21 THR A 94 -2.002 4.961 -7.010 1.00 0.00 H new ATOM 0 HG22 THR A 94 -3.497 5.559 -6.252 1.00 0.00 H new ATOM 0 HG23 THR A 94 -3.566 4.738 -7.830 1.00 0.00 H new