USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 756 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 103 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 109 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0174) USER MOD Set 2.1: A 56 ASN : amide:sc= 0 K(o=-0.088,f=-1.2) USER MOD Set 2.2: A 77 ASN : amide:sc= -0.0885 K(o=-0.088,f=-0.86) USER MOD Set 3.1: A 42 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 44 GLN :FLIP amide:sc= -1.3 F(o=-2.4,f=-1.3) USER MOD Set 4.1: A 37 CYS SG : rot -16:sc= 0.152 USER MOD Set 4.2: A 43 THR OG1 : rot 170:sc= -0.0348 USER MOD Single : A 31 LYS NZ :NH3+ 179:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 163:sc= -0.0245 (180deg=-0.273) USER MOD Single : A 51 ASN : amide:sc= 0.592 K(o=0.59,f=-7.7!) USER MOD Single : A 54 ASN :FLIP amide:sc= -0.112 F(o=-1.3,f=-0.11) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 HIS : no HD1:sc= -3.77! C(o=-3.8!,f=-3.4!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= -0.0601 (180deg=-0.0601) USER MOD Single : A 63 THR OG1 : rot -99:sc= -0.0518 USER MOD Single : A 64 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot -14:sc= 0.84 USER MOD Single : A 75 THR OG1 : rot 35:sc= 0.194 USER MOD Single : A 81 SER OG : rot 180:sc= -0.933 USER MOD Single : A 82 MET CE :methyl -140:sc= -0.134 (180deg=-2.28!) USER MOD Single : A 83 GLN : amide:sc= -0.53 K(o=-0.53,f=-1.2) USER MOD Single : A 91 GLN :FLIP amide:sc= -0.337 F(o=-0.98,f=-0.34) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 HIS : no HD1:sc= -0.0634 K(o=-0.063,f=-3.4!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 104 TYR OH : rot 180:sc= -0.987 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 341 N ALA A 24 -10.757 -17.427 3.068 1.00 0.00 N ATOM 342 CA ALA A 24 -9.469 -16.861 3.450 1.00 0.00 C ATOM 343 C ALA A 24 -9.580 -15.360 3.697 1.00 0.00 C ATOM 344 O ALA A 24 -10.314 -14.660 2.999 1.00 0.00 O ATOM 345 CB ALA A 24 -8.428 -17.146 2.377 1.00 0.00 C ATOM 0 HA ALA A 24 -9.154 -17.333 4.381 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.471 -16.718 2.675 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.320 -18.223 2.252 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.746 -16.701 1.434 1.00 0.00 H new ATOM 351 N ILE A 25 -8.848 -14.873 4.693 1.00 0.00 N ATOM 352 CA ILE A 25 -8.864 -13.455 5.030 1.00 0.00 C ATOM 353 C ILE A 25 -7.517 -13.007 5.586 1.00 0.00 C ATOM 354 O ILE A 25 -6.987 -13.608 6.522 1.00 0.00 O ATOM 355 CB ILE A 25 -9.964 -13.135 6.060 1.00 0.00 C ATOM 356 CG1 ILE A 25 -11.321 -13.638 5.563 1.00 0.00 C ATOM 357 CG2 ILE A 25 -10.015 -11.639 6.332 1.00 0.00 C ATOM 358 CD1 ILE A 25 -12.395 -13.632 6.629 1.00 0.00 C ATOM 0 H ILE A 25 -8.236 -15.439 5.281 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.072 -12.913 4.107 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.728 -13.647 6.993 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -11.646 -13.017 4.728 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -11.206 -14.652 5.181 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -10.797 -11.428 7.062 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -9.054 -11.308 6.724 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -10.231 -11.108 5.405 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -13.329 -14.001 6.206 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -12.092 -14.276 7.455 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -12.539 -12.615 6.995 1.00 0.00 H new ATOM 370 N LEU A 26 -6.968 -11.945 5.005 1.00 0.00 N ATOM 371 CA LEU A 26 -5.682 -11.413 5.443 1.00 0.00 C ATOM 372 C LEU A 26 -5.872 -10.163 6.296 1.00 0.00 C ATOM 373 O LEU A 26 -6.998 -9.716 6.518 1.00 0.00 O ATOM 374 CB LEU A 26 -4.803 -11.091 4.234 1.00 0.00 C ATOM 375 CG LEU A 26 -4.065 -12.274 3.606 1.00 0.00 C ATOM 376 CD1 LEU A 26 -3.115 -12.905 4.611 1.00 0.00 C ATOM 377 CD2 LEU A 26 -5.057 -13.305 3.086 1.00 0.00 C ATOM 0 H LEU A 26 -7.393 -11.436 4.230 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.190 -12.173 6.050 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.427 -10.630 3.468 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.066 -10.347 4.534 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.478 -11.907 2.764 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.599 -13.745 4.146 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.384 -12.164 4.935 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.680 -13.259 5.473 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.515 -14.140 2.642 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.671 -13.668 3.911 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.697 -12.846 2.332 1.00 0.00 H new ATOM 389 N ASP A 27 -4.765 -9.602 6.769 1.00 0.00 N ATOM 390 CA ASP A 27 -4.809 -8.401 7.595 1.00 0.00 C ATOM 391 C ASP A 27 -3.946 -7.296 6.993 1.00 0.00 C ATOM 392 O ASP A 27 -2.721 -7.315 7.113 1.00 0.00 O ATOM 393 CB ASP A 27 -4.338 -8.715 9.015 1.00 0.00 C ATOM 394 CG ASP A 27 -4.832 -7.700 10.027 1.00 0.00 C ATOM 395 OD1 ASP A 27 -4.163 -6.660 10.198 1.00 0.00 O ATOM 396 OD2 ASP A 27 -5.887 -7.946 10.648 1.00 0.00 O ATOM 0 H ASP A 27 -3.826 -9.960 6.595 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.841 -8.053 7.632 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.688 -9.707 9.300 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -3.249 -8.743 9.035 1.00 0.00 H new ATOM 401 N PHE A 28 -4.594 -6.334 6.343 1.00 0.00 N ATOM 402 CA PHE A 28 -3.886 -5.222 5.720 1.00 0.00 C ATOM 403 C PHE A 28 -4.316 -3.892 6.333 1.00 0.00 C ATOM 404 O PHE A 28 -5.472 -3.698 6.709 1.00 0.00 O ATOM 405 CB PHE A 28 -4.143 -5.207 4.211 1.00 0.00 C ATOM 406 CG PHE A 28 -3.364 -6.250 3.461 1.00 0.00 C ATOM 407 CD1 PHE A 28 -3.860 -7.536 3.320 1.00 0.00 C ATOM 408 CD2 PHE A 28 -2.136 -5.944 2.897 1.00 0.00 C ATOM 409 CE1 PHE A 28 -3.145 -8.497 2.630 1.00 0.00 C ATOM 410 CE2 PHE A 28 -1.417 -6.900 2.206 1.00 0.00 C ATOM 411 CZ PHE A 28 -1.923 -8.179 2.072 1.00 0.00 C ATOM 0 H PHE A 28 -5.608 -6.303 6.234 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.819 -5.357 5.899 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.207 -5.359 4.030 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.890 -4.223 3.817 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -4.816 -7.790 3.754 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.736 -4.946 2.999 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -3.542 -9.496 2.528 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.461 -6.648 1.771 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.363 -8.928 1.532 1.00 0.00 H new ATOM 421 N PRO A 29 -3.364 -2.954 6.436 1.00 0.00 N ATOM 422 CA PRO A 29 -3.619 -1.626 7.003 1.00 0.00 C ATOM 423 C PRO A 29 -4.501 -0.770 6.101 1.00 0.00 C ATOM 424 O PRO A 29 -4.560 -0.985 4.890 1.00 0.00 O ATOM 425 CB PRO A 29 -2.220 -1.015 7.119 1.00 0.00 C ATOM 426 CG PRO A 29 -1.412 -1.720 6.084 1.00 0.00 C ATOM 427 CD PRO A 29 -1.964 -3.116 6.008 1.00 0.00 C ATOM 0 HA PRO A 29 -4.154 -1.684 7.951 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -2.241 0.060 6.940 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -1.804 -1.164 8.115 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -1.488 -1.217 5.120 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -0.356 -1.732 6.354 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -1.897 -3.520 4.998 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -1.421 -3.799 6.661 1.00 0.00 H new ATOM 435 N ASP A 30 -5.184 0.200 6.697 1.00 0.00 N ATOM 436 CA ASP A 30 -6.063 1.090 5.946 1.00 0.00 C ATOM 437 C ASP A 30 -5.337 1.680 4.741 1.00 0.00 C ATOM 438 O ASP A 30 -5.891 1.754 3.644 1.00 0.00 O ATOM 439 CB ASP A 30 -6.578 2.213 6.848 1.00 0.00 C ATOM 440 CG ASP A 30 -7.174 1.691 8.140 1.00 0.00 C ATOM 441 OD1 ASP A 30 -6.401 1.407 9.078 1.00 0.00 O ATOM 442 OD2 ASP A 30 -8.415 1.565 8.213 1.00 0.00 O ATOM 0 H ASP A 30 -5.147 0.391 7.698 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.910 0.506 5.587 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.759 2.894 7.078 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.331 2.790 6.311 1.00 0.00 H new ATOM 447 N LYS A 31 -4.094 2.100 4.953 1.00 0.00 N ATOM 448 CA LYS A 31 -3.291 2.683 3.885 1.00 0.00 C ATOM 449 C LYS A 31 -1.804 2.585 4.207 1.00 0.00 C ATOM 450 O LYS A 31 -1.422 2.247 5.328 1.00 0.00 O ATOM 451 CB LYS A 31 -3.681 4.147 3.668 1.00 0.00 C ATOM 452 CG LYS A 31 -3.473 5.020 4.893 1.00 0.00 C ATOM 453 CD LYS A 31 -3.410 6.493 4.524 1.00 0.00 C ATOM 454 CE LYS A 31 -4.001 7.368 5.620 1.00 0.00 C ATOM 455 NZ LYS A 31 -3.227 7.267 6.888 1.00 0.00 N ATOM 0 H LYS A 31 -3.621 2.047 5.855 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.484 2.122 2.971 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.097 4.551 2.841 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -4.729 4.195 3.372 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.286 4.856 5.600 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.550 4.730 5.395 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.374 6.781 4.346 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.951 6.659 3.593 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.018 8.406 5.287 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.035 7.074 5.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.651 7.890 7.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.246 6.285 7.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.242 7.555 6.718 1.00 0.00 H new ATOM 469 N LEU A 32 -0.968 2.884 3.219 1.00 0.00 N ATOM 470 CA LEU A 32 0.479 2.831 3.397 1.00 0.00 C ATOM 471 C LEU A 32 1.053 4.227 3.614 1.00 0.00 C ATOM 472 O LEU A 32 1.081 5.046 2.696 1.00 0.00 O ATOM 473 CB LEU A 32 1.139 2.179 2.181 1.00 0.00 C ATOM 474 CG LEU A 32 2.585 1.717 2.369 1.00 0.00 C ATOM 475 CD1 LEU A 32 3.469 2.885 2.778 1.00 0.00 C ATOM 476 CD2 LEU A 32 2.659 0.603 3.403 1.00 0.00 C ATOM 0 H LEU A 32 -1.267 3.166 2.286 1.00 0.00 H new ATOM 0 HA LEU A 32 0.689 2.231 4.282 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.539 1.318 1.885 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.110 2.888 1.353 1.00 0.00 H new ATOM 0 HG LEU A 32 2.948 1.328 1.418 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.494 2.538 2.907 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.441 3.651 2.004 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.107 3.304 3.717 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.695 0.287 3.524 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.277 0.966 4.357 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.058 -0.243 3.070 1.00 0.00 H new ATOM 488 N ASN A 33 1.510 4.491 4.834 1.00 0.00 N ATOM 489 CA ASN A 33 2.085 5.788 5.171 1.00 0.00 C ATOM 490 C ASN A 33 3.600 5.775 4.991 1.00 0.00 C ATOM 491 O ASN A 33 4.318 5.098 5.728 1.00 0.00 O ATOM 492 CB ASN A 33 1.734 6.166 6.611 1.00 0.00 C ATOM 493 CG ASN A 33 1.743 7.666 6.834 1.00 0.00 C ATOM 494 OD1 ASN A 33 2.789 8.311 6.750 1.00 0.00 O ATOM 495 ND2 ASN A 33 0.575 8.229 7.119 1.00 0.00 N ATOM 0 H ASN A 33 1.493 3.824 5.605 1.00 0.00 H new ATOM 0 HA ASN A 33 1.663 6.531 4.494 1.00 0.00 H new ATOM 0 HB2 ASN A 33 0.749 5.771 6.857 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.445 5.696 7.291 1.00 0.00 H new ATOM 0 HD21 ASN A 33 0.519 9.235 7.278 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -0.267 7.656 7.178 1.00 0.00 H new ATOM 502 N PHE A 34 4.081 6.528 4.007 1.00 0.00 N ATOM 503 CA PHE A 34 5.510 6.603 3.730 1.00 0.00 C ATOM 504 C PHE A 34 6.102 7.902 4.271 1.00 0.00 C ATOM 505 O PHE A 34 5.860 8.980 3.727 1.00 0.00 O ATOM 506 CB PHE A 34 5.766 6.500 2.225 1.00 0.00 C ATOM 507 CG PHE A 34 6.201 5.132 1.783 1.00 0.00 C ATOM 508 CD1 PHE A 34 7.432 4.624 2.167 1.00 0.00 C ATOM 509 CD2 PHE A 34 5.379 4.354 0.984 1.00 0.00 C ATOM 510 CE1 PHE A 34 7.834 3.366 1.761 1.00 0.00 C ATOM 511 CE2 PHE A 34 5.776 3.095 0.575 1.00 0.00 C ATOM 512 CZ PHE A 34 7.005 2.600 0.965 1.00 0.00 C ATOM 0 H PHE A 34 3.501 7.095 3.388 1.00 0.00 H new ATOM 0 HA PHE A 34 5.996 5.766 4.232 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.856 6.774 1.690 1.00 0.00 H new ATOM 0 HB3 PHE A 34 6.531 7.224 1.944 1.00 0.00 H new ATOM 0 HD1 PHE A 34 8.084 5.218 2.790 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.417 4.736 0.677 1.00 0.00 H new ATOM 0 HE1 PHE A 34 8.796 2.982 2.066 1.00 0.00 H new ATOM 0 HE2 PHE A 34 5.126 2.499 -0.049 1.00 0.00 H new ATOM 0 HZ PHE A 34 7.317 1.616 0.648 1.00 0.00 H new ATOM 522 N SER A 35 6.877 7.790 5.344 1.00 0.00 N ATOM 523 CA SER A 35 7.500 8.956 5.962 1.00 0.00 C ATOM 524 C SER A 35 8.260 9.778 4.926 1.00 0.00 C ATOM 525 O SER A 35 8.313 9.421 3.748 1.00 0.00 O ATOM 526 CB SER A 35 8.449 8.520 7.080 1.00 0.00 C ATOM 527 OG SER A 35 7.730 8.169 8.250 1.00 0.00 O ATOM 0 H SER A 35 7.089 6.905 5.804 1.00 0.00 H new ATOM 0 HA SER A 35 6.711 9.578 6.386 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.044 7.670 6.746 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.146 9.327 7.306 1.00 0.00 H new ATOM 0 HG SER A 35 8.358 7.892 8.949 1.00 0.00 H new ATOM 533 N THR A 36 8.849 10.883 5.373 1.00 0.00 N ATOM 534 CA THR A 36 9.606 11.758 4.486 1.00 0.00 C ATOM 535 C THR A 36 10.648 10.973 3.698 1.00 0.00 C ATOM 536 O THR A 36 11.571 10.396 4.274 1.00 0.00 O ATOM 537 CB THR A 36 10.310 12.880 5.272 1.00 0.00 C ATOM 538 OG1 THR A 36 9.403 13.462 6.215 1.00 0.00 O ATOM 539 CG2 THR A 36 10.830 13.956 4.330 1.00 0.00 C ATOM 0 H THR A 36 8.816 11.193 6.344 1.00 0.00 H new ATOM 0 HA THR A 36 8.891 12.203 3.794 1.00 0.00 H new ATOM 0 HB THR A 36 11.156 12.445 5.804 1.00 0.00 H new ATOM 0 HG1 THR A 36 9.859 14.173 6.712 1.00 0.00 H new ATOM 0 HG21 THR A 36 11.323 14.738 4.908 1.00 0.00 H new ATOM 0 HG22 THR A 36 11.543 13.516 3.633 1.00 0.00 H new ATOM 0 HG23 THR A 36 9.997 14.386 3.774 1.00 0.00 H new ATOM 547 N CYS A 37 10.496 10.957 2.378 1.00 0.00 N ATOM 548 CA CYS A 37 11.425 10.242 1.510 1.00 0.00 C ATOM 549 C CYS A 37 11.820 11.101 0.313 1.00 0.00 C ATOM 550 O CYS A 37 11.106 12.022 -0.084 1.00 0.00 O ATOM 551 CB CYS A 37 10.801 8.931 1.030 1.00 0.00 C ATOM 552 SG CYS A 37 9.205 9.132 0.205 1.00 0.00 S ATOM 0 H CYS A 37 9.739 11.431 1.886 1.00 0.00 H new ATOM 0 HA CYS A 37 12.323 10.018 2.085 1.00 0.00 H new ATOM 0 HB2 CYS A 37 11.493 8.441 0.345 1.00 0.00 H new ATOM 0 HB3 CYS A 37 10.675 8.267 1.885 1.00 0.00 H new ATOM 0 HG CYS A 37 8.729 10.314 0.463 1.00 0.00 H new ATOM 558 N PRO A 38 12.985 10.794 -0.277 1.00 0.00 N ATOM 559 CA PRO A 38 13.502 11.526 -1.437 1.00 0.00 C ATOM 560 C PRO A 38 12.684 11.267 -2.697 1.00 0.00 C ATOM 561 O PRO A 38 12.272 10.138 -2.961 1.00 0.00 O ATOM 562 CB PRO A 38 14.922 10.978 -1.599 1.00 0.00 C ATOM 563 CG PRO A 38 14.875 9.620 -0.987 1.00 0.00 C ATOM 564 CD PRO A 38 13.887 9.709 0.143 1.00 0.00 C ATOM 0 HA PRO A 38 13.462 12.605 -1.289 1.00 0.00 H new ATOM 0 HB2 PRO A 38 15.210 10.929 -2.649 1.00 0.00 H new ATOM 0 HB3 PRO A 38 15.652 11.614 -1.097 1.00 0.00 H new ATOM 0 HG2 PRO A 38 14.566 8.873 -1.718 1.00 0.00 H new ATOM 0 HG3 PRO A 38 15.858 9.322 -0.623 1.00 0.00 H new ATOM 0 HD2 PRO A 38 13.350 8.771 0.282 1.00 0.00 H new ATOM 0 HD3 PRO A 38 14.378 9.938 1.089 1.00 0.00 H new ATOM 572 N VAL A 39 12.451 12.321 -3.473 1.00 0.00 N ATOM 573 CA VAL A 39 11.683 12.207 -4.708 1.00 0.00 C ATOM 574 C VAL A 39 12.435 11.386 -5.749 1.00 0.00 C ATOM 575 O VAL A 39 11.975 10.323 -6.168 1.00 0.00 O ATOM 576 CB VAL A 39 11.361 13.593 -5.298 1.00 0.00 C ATOM 577 CG1 VAL A 39 12.561 14.519 -5.174 1.00 0.00 C ATOM 578 CG2 VAL A 39 10.924 13.464 -6.750 1.00 0.00 C ATOM 0 H VAL A 39 12.783 13.264 -3.268 1.00 0.00 H new ATOM 0 HA VAL A 39 10.751 11.702 -4.456 1.00 0.00 H new ATOM 0 HB VAL A 39 10.538 14.028 -4.731 1.00 0.00 H new ATOM 0 HG11 VAL A 39 12.314 15.493 -5.596 1.00 0.00 H new ATOM 0 HG12 VAL A 39 12.824 14.635 -4.123 1.00 0.00 H new ATOM 0 HG13 VAL A 39 13.407 14.093 -5.714 1.00 0.00 H new ATOM 0 HG21 VAL A 39 10.700 14.452 -7.152 1.00 0.00 H new ATOM 0 HG22 VAL A 39 11.725 13.009 -7.332 1.00 0.00 H new ATOM 0 HG23 VAL A 39 10.033 12.839 -6.808 1.00 0.00 H new ATOM 588 N LYS A 40 13.595 11.884 -6.163 1.00 0.00 N ATOM 589 CA LYS A 40 14.414 11.196 -7.154 1.00 0.00 C ATOM 590 C LYS A 40 14.754 9.783 -6.693 1.00 0.00 C ATOM 591 O LYS A 40 14.361 8.802 -7.324 1.00 0.00 O ATOM 592 CB LYS A 40 15.701 11.982 -7.417 1.00 0.00 C ATOM 593 CG LYS A 40 15.574 12.999 -8.537 1.00 0.00 C ATOM 594 CD LYS A 40 14.665 14.151 -8.145 1.00 0.00 C ATOM 595 CE LYS A 40 14.857 15.351 -9.060 1.00 0.00 C ATOM 596 NZ LYS A 40 14.006 15.261 -10.278 1.00 0.00 N ATOM 0 H LYS A 40 13.990 12.763 -5.827 1.00 0.00 H new ATOM 0 HA LYS A 40 13.841 11.129 -8.079 1.00 0.00 H new ATOM 0 HB2 LYS A 40 15.996 12.496 -6.502 1.00 0.00 H new ATOM 0 HB3 LYS A 40 16.500 11.283 -7.662 1.00 0.00 H new ATOM 0 HG2 LYS A 40 16.561 13.384 -8.793 1.00 0.00 H new ATOM 0 HG3 LYS A 40 15.181 12.512 -9.429 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.626 13.825 -8.185 1.00 0.00 H new ATOM 0 HD3 LYS A 40 14.869 14.442 -7.115 1.00 0.00 H new ATOM 0 HE2 LYS A 40 14.617 16.265 -8.516 1.00 0.00 H new ATOM 0 HE3 LYS A 40 15.905 15.420 -9.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 14.166 16.097 -10.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 14.252 14.402 -10.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 13.005 15.221 -10.000 1.00 0.00 H new ATOM 610 N TYR A 41 15.485 9.686 -5.588 1.00 0.00 N ATOM 611 CA TYR A 41 15.879 8.392 -5.042 1.00 0.00 C ATOM 612 C TYR A 41 14.667 7.480 -4.876 1.00 0.00 C ATOM 613 O TYR A 41 13.539 7.949 -4.728 1.00 0.00 O ATOM 614 CB TYR A 41 16.582 8.575 -3.697 1.00 0.00 C ATOM 615 CG TYR A 41 17.919 9.275 -3.802 1.00 0.00 C ATOM 616 CD1 TYR A 41 18.006 10.660 -3.739 1.00 0.00 C ATOM 617 CD2 TYR A 41 19.093 8.551 -3.965 1.00 0.00 C ATOM 618 CE1 TYR A 41 19.225 11.304 -3.836 1.00 0.00 C ATOM 619 CE2 TYR A 41 20.316 9.186 -4.061 1.00 0.00 C ATOM 620 CZ TYR A 41 20.377 10.562 -3.996 1.00 0.00 C ATOM 621 OH TYR A 41 21.593 11.200 -4.092 1.00 0.00 O ATOM 0 H TYR A 41 15.817 10.488 -5.052 1.00 0.00 H new ATOM 0 HA TYR A 41 16.570 7.925 -5.744 1.00 0.00 H new ATOM 0 HB2 TYR A 41 15.934 9.146 -3.033 1.00 0.00 H new ATOM 0 HB3 TYR A 41 16.728 7.598 -3.237 1.00 0.00 H new ATOM 0 HD1 TYR A 41 17.106 11.243 -3.612 1.00 0.00 H new ATOM 0 HD2 TYR A 41 19.049 7.473 -4.018 1.00 0.00 H new ATOM 0 HE1 TYR A 41 19.275 12.382 -3.787 1.00 0.00 H new ATOM 0 HE2 TYR A 41 21.220 8.608 -4.186 1.00 0.00 H new ATOM 0 HH TYR A 41 22.304 10.534 -4.200 1.00 0.00 H new ATOM 631 N SER A 42 14.911 6.173 -4.900 1.00 0.00 N ATOM 632 CA SER A 42 13.841 5.194 -4.755 1.00 0.00 C ATOM 633 C SER A 42 13.579 4.889 -3.283 1.00 0.00 C ATOM 634 O SER A 42 14.458 5.055 -2.436 1.00 0.00 O ATOM 635 CB SER A 42 14.196 3.905 -5.499 1.00 0.00 C ATOM 636 OG SER A 42 15.453 3.404 -5.079 1.00 0.00 O ATOM 0 H SER A 42 15.840 5.769 -5.018 1.00 0.00 H new ATOM 0 HA SER A 42 12.934 5.617 -5.187 1.00 0.00 H new ATOM 0 HB2 SER A 42 13.425 3.155 -5.323 1.00 0.00 H new ATOM 0 HB3 SER A 42 14.217 4.095 -6.572 1.00 0.00 H new ATOM 0 HG SER A 42 15.656 2.579 -5.568 1.00 0.00 H new ATOM 642 N THR A 43 12.364 4.441 -2.984 1.00 0.00 N ATOM 643 CA THR A 43 11.984 4.113 -1.616 1.00 0.00 C ATOM 644 C THR A 43 11.561 2.653 -1.497 1.00 0.00 C ATOM 645 O THR A 43 11.027 2.074 -2.442 1.00 0.00 O ATOM 646 CB THR A 43 10.834 5.011 -1.121 1.00 0.00 C ATOM 647 OG1 THR A 43 11.271 6.373 -1.055 1.00 0.00 O ATOM 648 CG2 THR A 43 10.347 4.562 0.248 1.00 0.00 C ATOM 0 H THR A 43 11.625 4.297 -3.672 1.00 0.00 H new ATOM 0 HA THR A 43 12.863 4.285 -0.995 1.00 0.00 H new ATOM 0 HB THR A 43 10.008 4.928 -1.827 1.00 0.00 H new ATOM 0 HG1 THR A 43 10.500 6.957 -0.897 1.00 0.00 H new ATOM 0 HG21 THR A 43 9.535 5.211 0.576 1.00 0.00 H new ATOM 0 HG22 THR A 43 9.988 3.534 0.188 1.00 0.00 H new ATOM 0 HG23 THR A 43 11.168 4.618 0.963 1.00 0.00 H new ATOM 656 N GLN A 44 11.802 2.065 -0.330 1.00 0.00 N ATOM 657 CA GLN A 44 11.446 0.672 -0.088 1.00 0.00 C ATOM 658 C GLN A 44 10.901 0.487 1.324 1.00 0.00 C ATOM 659 O GLN A 44 11.232 1.248 2.234 1.00 0.00 O ATOM 660 CB GLN A 44 12.661 -0.232 -0.302 1.00 0.00 C ATOM 661 CG GLN A 44 13.075 -0.359 -1.759 1.00 0.00 C ATOM 662 CD GLN A 44 13.988 0.765 -2.207 1.00 0.00 C ATOM 663 OE1 GLN A 44 13.566 1.498 -3.231 1.00 0.00 O flip ATOM 664 NE2 GLN A 44 15.060 0.973 -1.639 1.00 0.00 N flip ATOM 0 H GLN A 44 12.242 2.532 0.463 1.00 0.00 H new ATOM 0 HA GLN A 44 10.667 0.394 -0.798 1.00 0.00 H new ATOM 0 HB2 GLN A 44 13.500 0.159 0.273 1.00 0.00 H new ATOM 0 HB3 GLN A 44 12.439 -1.224 0.092 1.00 0.00 H new ATOM 0 HG2 GLN A 44 13.580 -1.313 -1.907 1.00 0.00 H new ATOM 0 HG3 GLN A 44 12.184 -0.370 -2.386 1.00 0.00 H new ATOM 0 HE21 GLN A 44 15.345 0.385 -0.856 1.00 0.00 H new ATOM 0 HE22 GLN A 44 15.663 1.734 -1.951 1.00 0.00 H new ATOM 673 N LYS A 45 10.064 -0.530 1.502 1.00 0.00 N ATOM 674 CA LYS A 45 9.474 -0.817 2.803 1.00 0.00 C ATOM 675 C LYS A 45 8.900 -2.230 2.840 1.00 0.00 C ATOM 676 O LYS A 45 8.640 -2.832 1.798 1.00 0.00 O ATOM 677 CB LYS A 45 8.376 0.199 3.124 1.00 0.00 C ATOM 678 CG LYS A 45 8.320 0.592 4.590 1.00 0.00 C ATOM 679 CD LYS A 45 7.754 1.990 4.772 1.00 0.00 C ATOM 680 CE LYS A 45 6.255 2.022 4.517 1.00 0.00 C ATOM 681 NZ LYS A 45 5.499 1.266 5.554 1.00 0.00 N ATOM 0 H LYS A 45 9.779 -1.169 0.760 1.00 0.00 H new ATOM 0 HA LYS A 45 10.260 -0.743 3.555 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.534 1.094 2.522 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.412 -0.216 2.831 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.706 -0.124 5.136 1.00 0.00 H new ATOM 0 HG3 LYS A 45 9.321 0.545 5.018 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.959 2.338 5.784 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.255 2.678 4.091 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.912 3.056 4.499 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.045 1.600 3.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.496 1.541 5.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.585 0.246 5.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.887 1.483 6.494 1.00 0.00 H new ATOM 695 N ILE A 46 8.704 -2.753 4.046 1.00 0.00 N ATOM 696 CA ILE A 46 8.159 -4.094 4.218 1.00 0.00 C ATOM 697 C ILE A 46 6.842 -4.057 4.986 1.00 0.00 C ATOM 698 O ILE A 46 6.657 -3.236 5.885 1.00 0.00 O ATOM 699 CB ILE A 46 9.147 -5.013 4.959 1.00 0.00 C ATOM 700 CG1 ILE A 46 10.423 -5.197 4.135 1.00 0.00 C ATOM 701 CG2 ILE A 46 8.501 -6.359 5.252 1.00 0.00 C ATOM 702 CD1 ILE A 46 11.484 -6.014 4.838 1.00 0.00 C ATOM 0 H ILE A 46 8.915 -2.268 4.918 1.00 0.00 H new ATOM 0 HA ILE A 46 7.984 -4.494 3.219 1.00 0.00 H new ATOM 0 HB ILE A 46 9.413 -4.546 5.907 1.00 0.00 H new ATOM 0 HG12 ILE A 46 10.170 -5.680 3.191 1.00 0.00 H new ATOM 0 HG13 ILE A 46 10.833 -4.217 3.891 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.212 -6.997 5.776 1.00 0.00 H new ATOM 0 HG22 ILE A 46 7.619 -6.211 5.875 1.00 0.00 H new ATOM 0 HG23 ILE A 46 8.209 -6.834 4.315 1.00 0.00 H new ATOM 0 HD11 ILE A 46 12.360 -6.103 4.195 1.00 0.00 H new ATOM 0 HD12 ILE A 46 11.766 -5.521 5.769 1.00 0.00 H new ATOM 0 HD13 ILE A 46 11.092 -7.007 5.058 1.00 0.00 H new ATOM 714 N LEU A 47 5.929 -4.953 4.627 1.00 0.00 N ATOM 715 CA LEU A 47 4.629 -5.026 5.284 1.00 0.00 C ATOM 716 C LEU A 47 4.325 -6.451 5.736 1.00 0.00 C ATOM 717 O LEU A 47 4.128 -7.346 4.913 1.00 0.00 O ATOM 718 CB LEU A 47 3.530 -4.533 4.340 1.00 0.00 C ATOM 719 CG LEU A 47 2.127 -5.084 4.597 1.00 0.00 C ATOM 720 CD1 LEU A 47 1.461 -4.334 5.740 1.00 0.00 C ATOM 721 CD2 LEU A 47 1.281 -4.998 3.336 1.00 0.00 C ATOM 0 H LEU A 47 6.065 -5.639 3.885 1.00 0.00 H new ATOM 0 HA LEU A 47 4.659 -4.384 6.165 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.488 -3.445 4.400 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.816 -4.785 3.319 1.00 0.00 H new ATOM 0 HG LEU A 47 2.215 -6.133 4.880 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.463 -4.739 5.909 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.057 -4.447 6.646 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.385 -3.277 5.486 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.286 -5.395 3.538 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.200 -3.957 3.022 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.750 -5.581 2.543 1.00 0.00 H new ATOM 733 N LEU A 48 4.288 -6.654 7.048 1.00 0.00 N ATOM 734 CA LEU A 48 4.006 -7.971 7.610 1.00 0.00 C ATOM 735 C LEU A 48 2.527 -8.316 7.473 1.00 0.00 C ATOM 736 O LEU A 48 1.663 -7.611 7.996 1.00 0.00 O ATOM 737 CB LEU A 48 4.418 -8.017 9.083 1.00 0.00 C ATOM 738 CG LEU A 48 4.656 -9.409 9.670 1.00 0.00 C ATOM 739 CD1 LEU A 48 3.391 -10.249 9.581 1.00 0.00 C ATOM 740 CD2 LEU A 48 5.808 -10.099 8.955 1.00 0.00 C ATOM 0 H LEU A 48 4.449 -5.925 7.742 1.00 0.00 H new ATOM 0 HA LEU A 48 4.585 -8.708 7.054 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.331 -7.433 9.203 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.644 -7.524 9.672 1.00 0.00 H new ATOM 0 HG LEU A 48 4.921 -9.299 10.722 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.579 -11.236 10.003 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.591 -9.762 10.139 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.095 -10.352 8.537 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.963 -11.088 9.386 1.00 0.00 H new ATOM 0 HD22 LEU A 48 5.572 -10.197 7.895 1.00 0.00 H new ATOM 0 HD23 LEU A 48 6.715 -9.506 9.071 1.00 0.00 H new ATOM 752 N VAL A 49 2.242 -9.406 6.769 1.00 0.00 N ATOM 753 CA VAL A 49 0.867 -9.848 6.565 1.00 0.00 C ATOM 754 C VAL A 49 0.608 -11.177 7.265 1.00 0.00 C ATOM 755 O VAL A 49 1.334 -12.150 7.060 1.00 0.00 O ATOM 756 CB VAL A 49 0.541 -9.996 5.068 1.00 0.00 C ATOM 757 CG1 VAL A 49 -0.951 -10.216 4.865 1.00 0.00 C ATOM 758 CG2 VAL A 49 1.017 -8.775 4.296 1.00 0.00 C ATOM 0 H VAL A 49 2.945 -10.000 6.330 1.00 0.00 H new ATOM 0 HA VAL A 49 0.221 -9.082 6.995 1.00 0.00 H new ATOM 0 HB VAL A 49 1.069 -10.869 4.684 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.162 -10.318 3.801 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.259 -11.123 5.385 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.502 -9.364 5.264 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.778 -8.897 3.239 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.519 -7.885 4.680 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.095 -8.667 4.414 1.00 0.00 H new ATOM 768 N ARG A 50 -0.433 -11.212 8.091 1.00 0.00 N ATOM 769 CA ARG A 50 -0.788 -12.423 8.822 1.00 0.00 C ATOM 770 C ARG A 50 -2.152 -12.944 8.379 1.00 0.00 C ATOM 771 O ARG A 50 -3.131 -12.201 8.346 1.00 0.00 O ATOM 772 CB ARG A 50 -0.798 -12.150 10.327 1.00 0.00 C ATOM 773 CG ARG A 50 -1.085 -13.384 11.167 1.00 0.00 C ATOM 774 CD ARG A 50 -1.543 -13.011 12.568 1.00 0.00 C ATOM 775 NE ARG A 50 -0.433 -12.564 13.406 1.00 0.00 N ATOM 776 CZ ARG A 50 -0.563 -11.677 14.386 1.00 0.00 C ATOM 777 NH1 ARG A 50 -1.749 -11.146 14.651 1.00 0.00 N ATOM 778 NH2 ARG A 50 0.494 -11.321 15.105 1.00 0.00 N ATOM 0 H ARG A 50 -1.045 -10.416 8.271 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.039 -13.184 8.603 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.168 -11.738 10.620 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.548 -11.390 10.545 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.853 -13.986 10.681 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.188 -14.000 11.228 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.292 -12.221 12.506 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.025 -13.871 13.033 1.00 0.00 H new ATOM 0 HE ARG A 50 0.492 -12.954 13.229 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.564 -11.419 14.102 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.846 -10.465 15.404 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.407 -11.729 14.905 1.00 0.00 H new ATOM 0 HH22 ARG A 50 0.393 -10.640 15.857 1.00 0.00 H new ATOM 792 N ASN A 51 -2.206 -14.228 8.038 1.00 0.00 N ATOM 793 CA ASN A 51 -3.450 -14.849 7.596 1.00 0.00 C ATOM 794 C ASN A 51 -4.396 -15.069 8.772 1.00 0.00 C ATOM 795 O ASN A 51 -4.114 -15.863 9.670 1.00 0.00 O ATOM 796 CB ASN A 51 -3.160 -16.183 6.904 1.00 0.00 C ATOM 797 CG ASN A 51 -4.374 -16.736 6.183 1.00 0.00 C ATOM 798 OD1 ASN A 51 -5.494 -16.263 6.377 1.00 0.00 O ATOM 799 ND2 ASN A 51 -4.156 -17.743 5.345 1.00 0.00 N ATOM 0 H ASN A 51 -1.404 -14.858 8.059 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.931 -14.176 6.887 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -2.347 -16.050 6.191 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.820 -16.907 7.644 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -4.934 -18.156 4.831 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.211 -18.103 5.215 1.00 0.00 H new ATOM 806 N ILE A 52 -5.520 -14.360 8.760 1.00 0.00 N ATOM 807 CA ILE A 52 -6.509 -14.479 9.824 1.00 0.00 C ATOM 808 C ILE A 52 -7.693 -15.332 9.382 1.00 0.00 C ATOM 809 O ILE A 52 -8.760 -15.296 9.993 1.00 0.00 O ATOM 810 CB ILE A 52 -7.024 -13.098 10.271 1.00 0.00 C ATOM 811 CG1 ILE A 52 -7.575 -12.323 9.072 1.00 0.00 C ATOM 812 CG2 ILE A 52 -5.912 -12.312 10.950 1.00 0.00 C ATOM 813 CD1 ILE A 52 -8.200 -10.996 9.445 1.00 0.00 C ATOM 0 H ILE A 52 -5.768 -13.697 8.025 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.011 -14.962 10.665 1.00 0.00 H new ATOM 0 HB ILE A 52 -7.831 -13.243 10.989 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -6.768 -12.148 8.361 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.320 -12.936 8.564 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.292 -11.338 11.260 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.561 -12.860 11.824 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.086 -12.174 10.253 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -8.569 -10.502 8.546 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -9.029 -11.165 10.132 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -7.453 -10.364 9.926 1.00 0.00 H new ATOM 825 N GLY A 53 -7.496 -16.100 8.314 1.00 0.00 N ATOM 826 CA GLY A 53 -8.556 -16.953 7.809 1.00 0.00 C ATOM 827 C GLY A 53 -8.535 -18.335 8.431 1.00 0.00 C ATOM 828 O GLY A 53 -7.969 -18.530 9.506 1.00 0.00 O ATOM 0 H GLY A 53 -6.622 -16.146 7.790 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.520 -16.484 8.006 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.461 -17.044 6.727 1.00 0.00 H new ATOM 832 N ASN A 54 -9.155 -19.296 7.755 1.00 0.00 N ATOM 833 CA ASN A 54 -9.207 -20.667 8.250 1.00 0.00 C ATOM 834 C ASN A 54 -8.405 -21.602 7.349 1.00 0.00 C ATOM 835 O ASN A 54 -7.859 -22.606 7.806 1.00 0.00 O ATOM 836 CB ASN A 54 -10.658 -21.145 8.338 1.00 0.00 C ATOM 837 CG ASN A 54 -11.559 -20.443 7.341 1.00 0.00 C ATOM 838 OD1 ASN A 54 -11.299 -20.657 6.056 1.00 0.00 O flip ATOM 839 ND2 ASN A 54 -12.478 -19.718 7.721 1.00 0.00 N flip ATOM 0 H ASN A 54 -9.628 -19.151 6.863 1.00 0.00 H new ATOM 0 HA ASN A 54 -8.765 -20.684 9.246 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -10.695 -22.220 8.163 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -11.034 -20.974 9.347 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -12.641 -19.582 8.719 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -13.076 -19.253 7.038 1.00 0.00 H new ATOM 846 N LYS A 55 -8.340 -21.264 6.065 1.00 0.00 N ATOM 847 CA LYS A 55 -7.604 -22.070 5.098 1.00 0.00 C ATOM 848 C LYS A 55 -6.558 -21.230 4.373 1.00 0.00 C ATOM 849 O LYS A 55 -6.496 -20.014 4.546 1.00 0.00 O ATOM 850 CB LYS A 55 -8.567 -22.692 4.084 1.00 0.00 C ATOM 851 CG LYS A 55 -8.098 -24.031 3.542 1.00 0.00 C ATOM 852 CD LYS A 55 -9.223 -24.773 2.840 1.00 0.00 C ATOM 853 CE LYS A 55 -9.421 -24.269 1.418 1.00 0.00 C ATOM 854 NZ LYS A 55 -9.936 -25.336 0.518 1.00 0.00 N ATOM 0 H LYS A 55 -8.788 -20.437 5.670 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.093 -22.866 5.640 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -9.542 -22.821 4.554 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.703 -22.000 3.253 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.274 -23.874 2.846 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.713 -24.641 4.359 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -9.001 -25.840 2.821 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -10.148 -24.650 3.403 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -10.118 -23.431 1.424 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -8.474 -23.893 1.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -10.057 -24.953 -0.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.259 -26.125 0.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -10.852 -25.677 0.873 1.00 0.00 H new ATOM 868 N ASN A 56 -5.737 -21.887 3.560 1.00 0.00 N ATOM 869 CA ASN A 56 -4.694 -21.200 2.808 1.00 0.00 C ATOM 870 C ASN A 56 -5.271 -20.022 2.029 1.00 0.00 C ATOM 871 O ASN A 56 -6.114 -20.200 1.150 1.00 0.00 O ATOM 872 CB ASN A 56 -4.003 -22.172 1.849 1.00 0.00 C ATOM 873 CG ASN A 56 -2.760 -21.575 1.217 1.00 0.00 C ATOM 874 OD1 ASN A 56 -2.227 -20.574 1.695 1.00 0.00 O ATOM 875 ND2 ASN A 56 -2.293 -22.190 0.136 1.00 0.00 N ATOM 0 H ASN A 56 -5.774 -22.895 3.405 1.00 0.00 H new ATOM 0 HA ASN A 56 -3.960 -20.818 3.518 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.733 -23.080 2.388 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.702 -22.463 1.065 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -1.460 -21.835 -0.333 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -2.768 -23.017 -0.225 1.00 0.00 H new ATOM 882 N ALA A 57 -4.810 -18.820 2.358 1.00 0.00 N ATOM 883 CA ALA A 57 -5.278 -17.613 1.687 1.00 0.00 C ATOM 884 C ALA A 57 -4.487 -17.352 0.410 1.00 0.00 C ATOM 885 O ALA A 57 -3.279 -17.582 0.358 1.00 0.00 O ATOM 886 CB ALA A 57 -5.181 -16.418 2.624 1.00 0.00 C ATOM 0 H ALA A 57 -4.113 -18.656 3.085 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.322 -17.762 1.412 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.533 -15.523 2.111 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -5.796 -16.596 3.506 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -4.144 -16.277 2.928 1.00 0.00 H new ATOM 892 N VAL A 58 -5.177 -16.872 -0.620 1.00 0.00 N ATOM 893 CA VAL A 58 -4.538 -16.580 -1.898 1.00 0.00 C ATOM 894 C VAL A 58 -4.900 -15.182 -2.386 1.00 0.00 C ATOM 895 O VAL A 58 -6.012 -14.946 -2.859 1.00 0.00 O ATOM 896 CB VAL A 58 -4.939 -17.608 -2.973 1.00 0.00 C ATOM 897 CG1 VAL A 58 -4.292 -17.265 -4.307 1.00 0.00 C ATOM 898 CG2 VAL A 58 -4.561 -19.014 -2.534 1.00 0.00 C ATOM 0 H VAL A 58 -6.178 -16.677 -0.594 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.462 -16.637 -1.735 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.021 -17.571 -3.100 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.586 -18.002 -5.054 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.618 -16.275 -4.626 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -3.207 -17.272 -4.198 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.852 -19.727 -3.306 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.484 -19.069 -2.377 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.076 -19.256 -1.604 1.00 0.00 H new ATOM 908 N PHE A 59 -3.953 -14.257 -2.269 1.00 0.00 N ATOM 909 CA PHE A 59 -4.172 -12.881 -2.698 1.00 0.00 C ATOM 910 C PHE A 59 -3.279 -12.533 -3.885 1.00 0.00 C ATOM 911 O PHE A 59 -2.185 -13.079 -4.035 1.00 0.00 O ATOM 912 CB PHE A 59 -3.902 -11.915 -1.543 1.00 0.00 C ATOM 913 CG PHE A 59 -2.509 -12.014 -0.991 1.00 0.00 C ATOM 914 CD1 PHE A 59 -2.115 -13.125 -0.264 1.00 0.00 C ATOM 915 CD2 PHE A 59 -1.593 -10.995 -1.200 1.00 0.00 C ATOM 916 CE1 PHE A 59 -0.833 -13.220 0.245 1.00 0.00 C ATOM 917 CE2 PHE A 59 -0.310 -11.084 -0.694 1.00 0.00 C ATOM 918 CZ PHE A 59 0.070 -12.197 0.030 1.00 0.00 C ATOM 0 H PHE A 59 -3.027 -14.435 -1.881 1.00 0.00 H new ATOM 0 HA PHE A 59 -5.213 -12.785 -3.008 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -4.077 -10.895 -1.885 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.616 -12.110 -0.743 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -2.818 -13.927 -0.093 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.885 -10.122 -1.764 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.538 -14.092 0.810 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.395 -10.284 -0.865 1.00 0.00 H new ATOM 0 HZ PHE A 59 1.072 -12.267 0.428 1.00 0.00 H new ATOM 928 N HIS A 60 -3.753 -11.620 -4.728 1.00 0.00 N ATOM 929 CA HIS A 60 -2.998 -11.199 -5.903 1.00 0.00 C ATOM 930 C HIS A 60 -3.097 -9.689 -6.099 1.00 0.00 C ATOM 931 O HIS A 60 -4.107 -9.183 -6.589 1.00 0.00 O ATOM 932 CB HIS A 60 -3.508 -11.922 -7.149 1.00 0.00 C ATOM 933 CG HIS A 60 -2.754 -11.572 -8.395 1.00 0.00 C ATOM 934 ND1 HIS A 60 -2.585 -12.451 -9.445 1.00 0.00 N ATOM 935 CD2 HIS A 60 -2.124 -10.430 -8.757 1.00 0.00 C ATOM 936 CE1 HIS A 60 -1.882 -11.865 -10.397 1.00 0.00 C ATOM 937 NE2 HIS A 60 -1.590 -10.638 -10.006 1.00 0.00 N ATOM 0 H HIS A 60 -4.656 -11.158 -4.619 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.951 -11.459 -5.745 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -3.445 -12.998 -6.986 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -4.562 -11.683 -7.292 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -2.054 -9.524 -8.173 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -1.595 -12.313 -11.336 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -1.055 -9.956 -10.543 1.00 0.00 H new ATOM 946 N ILE A 61 -2.044 -8.976 -5.714 1.00 0.00 N ATOM 947 CA ILE A 61 -2.014 -7.525 -5.848 1.00 0.00 C ATOM 948 C ILE A 61 -1.517 -7.112 -7.229 1.00 0.00 C ATOM 949 O ILE A 61 -0.685 -7.791 -7.831 1.00 0.00 O ATOM 950 CB ILE A 61 -1.116 -6.879 -4.777 1.00 0.00 C ATOM 951 CG1 ILE A 61 -1.542 -7.336 -3.380 1.00 0.00 C ATOM 952 CG2 ILE A 61 -1.172 -5.363 -4.883 1.00 0.00 C ATOM 953 CD1 ILE A 61 -0.497 -7.083 -2.316 1.00 0.00 C ATOM 0 H ILE A 61 -1.200 -9.380 -5.307 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.037 -7.174 -5.712 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.088 -7.198 -4.946 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.462 -6.822 -3.103 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.769 -8.402 -3.409 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.532 -4.921 -4.119 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.826 -5.054 -5.869 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.198 -5.026 -4.736 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.867 -7.432 -1.352 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.417 -7.620 -2.569 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.287 -6.015 -2.259 1.00 0.00 H new ATOM 965 N LYS A 62 -2.031 -5.992 -7.726 1.00 0.00 N ATOM 966 CA LYS A 62 -1.638 -5.483 -9.035 1.00 0.00 C ATOM 967 C LYS A 62 -1.537 -3.961 -9.020 1.00 0.00 C ATOM 968 O LYS A 62 -2.398 -3.277 -8.466 1.00 0.00 O ATOM 969 CB LYS A 62 -2.642 -5.928 -10.100 1.00 0.00 C ATOM 970 CG LYS A 62 -4.081 -5.578 -9.763 1.00 0.00 C ATOM 971 CD LYS A 62 -4.508 -4.278 -10.424 1.00 0.00 C ATOM 972 CE LYS A 62 -5.999 -4.031 -10.258 1.00 0.00 C ATOM 973 NZ LYS A 62 -6.413 -2.723 -10.837 1.00 0.00 N ATOM 0 H LYS A 62 -2.722 -5.419 -7.241 1.00 0.00 H new ATOM 0 HA LYS A 62 -0.657 -5.892 -9.276 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.378 -5.467 -11.052 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.561 -7.007 -10.235 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.738 -6.385 -10.087 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -4.192 -5.491 -8.682 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.950 -3.448 -9.990 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.259 -4.309 -11.485 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -6.556 -4.834 -10.741 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -6.256 -4.057 -9.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -7.436 -2.592 -10.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -5.901 -1.954 -10.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -6.192 -2.708 -11.853 1.00 0.00 H new ATOM 987 N THR A 63 -0.480 -3.437 -9.633 1.00 0.00 N ATOM 988 CA THR A 63 -0.268 -1.996 -9.690 1.00 0.00 C ATOM 989 C THR A 63 0.733 -1.631 -10.781 1.00 0.00 C ATOM 990 O THR A 63 1.312 -2.507 -11.424 1.00 0.00 O ATOM 991 CB THR A 63 0.238 -1.449 -8.342 1.00 0.00 C ATOM 992 OG1 THR A 63 0.267 -0.017 -8.374 1.00 0.00 O ATOM 993 CG2 THR A 63 1.628 -1.982 -8.028 1.00 0.00 C ATOM 0 H THR A 63 0.242 -3.989 -10.097 1.00 0.00 H new ATOM 0 HA THR A 63 -1.233 -1.543 -9.919 1.00 0.00 H new ATOM 0 HB THR A 63 -0.446 -1.781 -7.561 1.00 0.00 H new ATOM 0 HG1 THR A 63 1.181 0.288 -8.552 1.00 0.00 H new ATOM 0 HG21 THR A 63 1.964 -1.582 -7.071 1.00 0.00 H new ATOM 0 HG22 THR A 63 1.597 -3.070 -7.975 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.321 -1.676 -8.812 1.00 0.00 H new ATOM 1001 N CYS A 64 0.932 -0.333 -10.985 1.00 0.00 N ATOM 1002 CA CYS A 64 1.863 0.148 -11.999 1.00 0.00 C ATOM 1003 C CYS A 64 2.704 1.301 -11.462 1.00 0.00 C ATOM 1004 O CYS A 64 2.273 2.035 -10.572 1.00 0.00 O ATOM 1005 CB CYS A 64 1.102 0.594 -13.249 1.00 0.00 C ATOM 1006 SG CYS A 64 -0.142 1.868 -12.939 1.00 0.00 S ATOM 0 H CYS A 64 0.461 0.405 -10.461 1.00 0.00 H new ATOM 0 HA CYS A 64 2.531 -0.672 -12.262 1.00 0.00 H new ATOM 0 HB2 CYS A 64 1.816 0.969 -13.982 1.00 0.00 H new ATOM 0 HB3 CYS A 64 0.615 -0.274 -13.694 1.00 0.00 H new ATOM 0 HG CYS A 64 -0.730 2.181 -14.055 1.00 0.00 H new ATOM 1012 N ARG A 65 3.907 1.453 -12.007 1.00 0.00 N ATOM 1013 CA ARG A 65 4.810 2.515 -11.580 1.00 0.00 C ATOM 1014 C ARG A 65 4.111 3.871 -11.618 1.00 0.00 C ATOM 1015 O ARG A 65 3.106 4.060 -12.304 1.00 0.00 O ATOM 1016 CB ARG A 65 6.053 2.545 -12.471 1.00 0.00 C ATOM 1017 CG ARG A 65 5.762 2.938 -13.910 1.00 0.00 C ATOM 1018 CD ARG A 65 7.026 2.935 -14.755 1.00 0.00 C ATOM 1019 NE ARG A 65 7.383 1.591 -15.201 1.00 0.00 N ATOM 1020 CZ ARG A 65 8.511 1.305 -15.842 1.00 0.00 C ATOM 1021 NH1 ARG A 65 9.387 2.264 -16.109 1.00 0.00 N ATOM 1022 NH2 ARG A 65 8.765 0.058 -16.216 1.00 0.00 N ATOM 0 H ARG A 65 4.278 0.854 -12.745 1.00 0.00 H new ATOM 0 HA ARG A 65 5.112 2.310 -10.553 1.00 0.00 H new ATOM 0 HB2 ARG A 65 6.774 3.246 -12.051 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.521 1.561 -12.460 1.00 0.00 H new ATOM 0 HG2 ARG A 65 5.036 2.247 -14.337 1.00 0.00 H new ATOM 0 HG3 ARG A 65 5.310 3.930 -13.933 1.00 0.00 H new ATOM 0 HD2 ARG A 65 6.883 3.579 -15.623 1.00 0.00 H new ATOM 0 HD3 ARG A 65 7.849 3.356 -14.178 1.00 0.00 H new ATOM 0 HE ARG A 65 6.731 0.830 -15.010 1.00 0.00 H new ATOM 0 HH11 ARG A 65 9.196 3.224 -15.822 1.00 0.00 H new ATOM 0 HH12 ARG A 65 10.252 2.042 -16.601 1.00 0.00 H new ATOM 0 HH21 ARG A 65 8.094 -0.682 -16.012 1.00 0.00 H new ATOM 0 HH22 ARG A 65 9.631 -0.160 -16.708 1.00 0.00 H new ATOM 1036 N PRO A 66 4.653 4.838 -10.863 1.00 0.00 N ATOM 1037 CA PRO A 66 5.848 4.624 -10.041 1.00 0.00 C ATOM 1038 C PRO A 66 5.577 3.711 -8.851 1.00 0.00 C ATOM 1039 O PRO A 66 6.478 3.414 -8.066 1.00 0.00 O ATOM 1040 CB PRO A 66 6.206 6.034 -9.563 1.00 0.00 C ATOM 1041 CG PRO A 66 4.920 6.785 -9.600 1.00 0.00 C ATOM 1042 CD PRO A 66 4.141 6.214 -10.752 1.00 0.00 C ATOM 0 HA PRO A 66 6.645 4.133 -10.600 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.625 6.016 -8.557 1.00 0.00 H new ATOM 0 HB3 PRO A 66 6.952 6.494 -10.211 1.00 0.00 H new ATOM 0 HG2 PRO A 66 4.374 6.670 -8.664 1.00 0.00 H new ATOM 0 HG3 PRO A 66 5.095 7.852 -9.738 1.00 0.00 H new ATOM 0 HD2 PRO A 66 3.068 6.229 -10.558 1.00 0.00 H new ATOM 0 HD3 PRO A 66 4.307 6.780 -11.669 1.00 0.00 H new ATOM 1050 N PHE A 67 4.331 3.268 -8.722 1.00 0.00 N ATOM 1051 CA PHE A 67 3.941 2.388 -7.626 1.00 0.00 C ATOM 1052 C PHE A 67 4.021 0.924 -8.049 1.00 0.00 C ATOM 1053 O PHE A 67 3.410 0.518 -9.038 1.00 0.00 O ATOM 1054 CB PHE A 67 2.523 2.718 -7.158 1.00 0.00 C ATOM 1055 CG PHE A 67 2.473 3.790 -6.107 1.00 0.00 C ATOM 1056 CD1 PHE A 67 3.188 3.657 -4.928 1.00 0.00 C ATOM 1057 CD2 PHE A 67 1.710 4.931 -6.298 1.00 0.00 C ATOM 1058 CE1 PHE A 67 3.144 4.641 -3.959 1.00 0.00 C ATOM 1059 CE2 PHE A 67 1.663 5.919 -5.333 1.00 0.00 C ATOM 1060 CZ PHE A 67 2.380 5.774 -4.162 1.00 0.00 C ATOM 0 H PHE A 67 3.573 3.504 -9.363 1.00 0.00 H new ATOM 0 HA PHE A 67 4.635 2.548 -6.801 1.00 0.00 H new ATOM 0 HB2 PHE A 67 1.930 3.034 -8.016 1.00 0.00 H new ATOM 0 HB3 PHE A 67 2.059 1.813 -6.765 1.00 0.00 H new ATOM 0 HD1 PHE A 67 3.787 2.773 -4.764 1.00 0.00 H new ATOM 0 HD2 PHE A 67 1.146 5.049 -7.211 1.00 0.00 H new ATOM 0 HE1 PHE A 67 3.706 4.525 -3.044 1.00 0.00 H new ATOM 0 HE2 PHE A 67 1.066 6.804 -5.495 1.00 0.00 H new ATOM 0 HZ PHE A 67 2.344 6.545 -3.406 1.00 0.00 H new ATOM 1070 N SER A 68 4.780 0.136 -7.294 1.00 0.00 N ATOM 1071 CA SER A 68 4.944 -1.282 -7.592 1.00 0.00 C ATOM 1072 C SER A 68 5.375 -2.052 -6.348 1.00 0.00 C ATOM 1073 O SER A 68 6.037 -1.506 -5.465 1.00 0.00 O ATOM 1074 CB SER A 68 5.975 -1.474 -8.707 1.00 0.00 C ATOM 1075 OG SER A 68 5.547 -0.856 -9.908 1.00 0.00 O ATOM 0 H SER A 68 5.291 0.456 -6.471 1.00 0.00 H new ATOM 0 HA SER A 68 3.982 -1.672 -7.924 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.932 -1.053 -8.398 1.00 0.00 H new ATOM 0 HB3 SER A 68 6.136 -2.538 -8.879 1.00 0.00 H new ATOM 0 HG SER A 68 4.597 -0.627 -9.837 1.00 0.00 H new ATOM 1081 N ILE A 69 4.993 -3.323 -6.285 1.00 0.00 N ATOM 1082 CA ILE A 69 5.339 -4.170 -5.150 1.00 0.00 C ATOM 1083 C ILE A 69 5.737 -5.569 -5.609 1.00 0.00 C ATOM 1084 O ILE A 69 5.448 -5.968 -6.736 1.00 0.00 O ATOM 1085 CB ILE A 69 4.171 -4.281 -4.153 1.00 0.00 C ATOM 1086 CG1 ILE A 69 3.159 -5.324 -4.634 1.00 0.00 C ATOM 1087 CG2 ILE A 69 3.499 -2.928 -3.971 1.00 0.00 C ATOM 1088 CD1 ILE A 69 2.681 -5.093 -6.051 1.00 0.00 C ATOM 0 H ILE A 69 4.444 -3.789 -7.007 1.00 0.00 H new ATOM 0 HA ILE A 69 6.187 -3.699 -4.652 1.00 0.00 H new ATOM 0 HB ILE A 69 4.565 -4.602 -3.189 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.610 -6.314 -4.568 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.299 -5.320 -3.964 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.675 -3.023 -3.263 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.225 -2.210 -3.589 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.115 -2.581 -4.930 1.00 0.00 H new ATOM 0 HD11 ILE A 69 1.967 -5.869 -6.325 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.200 -4.117 -6.118 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.532 -5.126 -6.732 1.00 0.00 H new ATOM 1100 N GLU A 70 6.400 -6.309 -4.726 1.00 0.00 N ATOM 1101 CA GLU A 70 6.836 -7.664 -5.041 1.00 0.00 C ATOM 1102 C GLU A 70 7.066 -8.472 -3.767 1.00 0.00 C ATOM 1103 O GLU A 70 7.604 -7.976 -2.776 1.00 0.00 O ATOM 1104 CB GLU A 70 8.119 -7.630 -5.875 1.00 0.00 C ATOM 1105 CG GLU A 70 9.043 -8.808 -5.617 1.00 0.00 C ATOM 1106 CD GLU A 70 9.925 -9.129 -6.809 1.00 0.00 C ATOM 1107 OE1 GLU A 70 9.382 -9.542 -7.854 1.00 0.00 O ATOM 1108 OE2 GLU A 70 11.158 -8.967 -6.695 1.00 0.00 O ATOM 0 H GLU A 70 6.647 -5.993 -3.788 1.00 0.00 H new ATOM 0 HA GLU A 70 6.048 -8.146 -5.619 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.855 -7.611 -6.932 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.655 -6.705 -5.664 1.00 0.00 H new ATOM 0 HG2 GLU A 70 9.671 -8.590 -4.753 1.00 0.00 H new ATOM 0 HG3 GLU A 70 8.446 -9.685 -5.364 1.00 0.00 H new ATOM 1115 N PRO A 71 6.649 -9.746 -3.791 1.00 0.00 N ATOM 1116 CA PRO A 71 6.008 -10.347 -4.964 1.00 0.00 C ATOM 1117 C PRO A 71 4.613 -9.783 -5.214 1.00 0.00 C ATOM 1118 O PRO A 71 3.892 -9.448 -4.276 1.00 0.00 O ATOM 1119 CB PRO A 71 5.927 -11.832 -4.602 1.00 0.00 C ATOM 1120 CG PRO A 71 5.923 -11.860 -3.113 1.00 0.00 C ATOM 1121 CD PRO A 71 6.772 -10.699 -2.675 1.00 0.00 C ATOM 0 HA PRO A 71 6.564 -10.147 -5.880 1.00 0.00 H new ATOM 0 HB2 PRO A 71 5.025 -12.290 -5.009 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.775 -12.385 -5.006 1.00 0.00 H new ATOM 0 HG2 PRO A 71 4.909 -11.771 -2.724 1.00 0.00 H new ATOM 0 HG3 PRO A 71 6.326 -12.801 -2.739 1.00 0.00 H new ATOM 0 HD2 PRO A 71 6.414 -10.270 -1.739 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.808 -10.997 -2.513 1.00 0.00 H new ATOM 1129 N ALA A 72 4.240 -9.683 -6.486 1.00 0.00 N ATOM 1130 CA ALA A 72 2.931 -9.162 -6.859 1.00 0.00 C ATOM 1131 C ALA A 72 1.816 -10.083 -6.376 1.00 0.00 C ATOM 1132 O ALA A 72 0.694 -9.639 -6.130 1.00 0.00 O ATOM 1133 CB ALA A 72 2.848 -8.975 -8.367 1.00 0.00 C ATOM 0 H ALA A 72 4.826 -9.956 -7.275 1.00 0.00 H new ATOM 0 HA ALA A 72 2.801 -8.193 -6.376 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.865 -8.585 -8.632 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.616 -8.272 -8.689 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.004 -9.934 -8.862 1.00 0.00 H new ATOM 1139 N ILE A 73 2.131 -11.367 -6.243 1.00 0.00 N ATOM 1140 CA ILE A 73 1.155 -12.350 -5.789 1.00 0.00 C ATOM 1141 C ILE A 73 1.805 -13.392 -4.886 1.00 0.00 C ATOM 1142 O ILE A 73 2.969 -13.746 -5.065 1.00 0.00 O ATOM 1143 CB ILE A 73 0.482 -13.064 -6.976 1.00 0.00 C ATOM 1144 CG1 ILE A 73 -0.356 -14.245 -6.480 1.00 0.00 C ATOM 1145 CG2 ILE A 73 1.529 -13.533 -7.975 1.00 0.00 C ATOM 1146 CD1 ILE A 73 -1.214 -14.871 -7.557 1.00 0.00 C ATOM 0 H ILE A 73 3.055 -11.751 -6.443 1.00 0.00 H new ATOM 0 HA ILE A 73 0.397 -11.806 -5.225 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.180 -12.358 -7.478 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.309 -15.005 -6.069 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.997 -13.908 -5.666 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.038 -14.036 -8.808 1.00 0.00 H new ATOM 0 HG22 ILE A 73 2.087 -12.674 -8.348 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.214 -14.226 -7.486 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.780 -15.701 -7.134 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.904 -14.125 -7.952 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.577 -15.239 -8.362 1.00 0.00 H new ATOM 1158 N GLY A 74 1.042 -13.882 -3.913 1.00 0.00 N ATOM 1159 CA GLY A 74 1.559 -14.881 -2.996 1.00 0.00 C ATOM 1160 C GLY A 74 0.467 -15.528 -2.167 1.00 0.00 C ATOM 1161 O GLY A 74 -0.639 -14.997 -2.059 1.00 0.00 O ATOM 0 H GLY A 74 0.075 -13.605 -3.744 1.00 0.00 H new ATOM 0 HA2 GLY A 74 2.086 -15.650 -3.561 1.00 0.00 H new ATOM 0 HA3 GLY A 74 2.288 -14.417 -2.332 1.00 0.00 H new ATOM 1165 N THR A 75 0.776 -16.680 -1.580 1.00 0.00 N ATOM 1166 CA THR A 75 -0.188 -17.402 -0.759 1.00 0.00 C ATOM 1167 C THR A 75 0.301 -17.530 0.679 1.00 0.00 C ATOM 1168 O THR A 75 1.408 -18.009 0.929 1.00 0.00 O ATOM 1169 CB THR A 75 -0.463 -18.809 -1.323 1.00 0.00 C ATOM 1170 OG1 THR A 75 0.768 -19.524 -1.478 1.00 0.00 O ATOM 1171 CG2 THR A 75 -1.179 -18.725 -2.662 1.00 0.00 C ATOM 0 H THR A 75 1.687 -17.133 -1.658 1.00 0.00 H new ATOM 0 HA THR A 75 -1.112 -16.825 -0.775 1.00 0.00 H new ATOM 0 HB THR A 75 -1.104 -19.339 -0.619 1.00 0.00 H new ATOM 0 HG1 THR A 75 1.384 -19.275 -0.758 1.00 0.00 H new ATOM 0 HG21 THR A 75 -1.362 -19.731 -3.040 1.00 0.00 H new ATOM 0 HG22 THR A 75 -2.129 -18.206 -2.535 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.559 -18.178 -3.372 1.00 0.00 H new ATOM 1179 N LEU A 76 -0.530 -17.099 1.622 1.00 0.00 N ATOM 1180 CA LEU A 76 -0.182 -17.166 3.037 1.00 0.00 C ATOM 1181 C LEU A 76 -1.041 -18.198 3.760 1.00 0.00 C ATOM 1182 O LEU A 76 -2.248 -18.282 3.537 1.00 0.00 O ATOM 1183 CB LEU A 76 -0.355 -15.794 3.690 1.00 0.00 C ATOM 1184 CG LEU A 76 0.227 -15.642 5.096 1.00 0.00 C ATOM 1185 CD1 LEU A 76 1.741 -15.779 5.065 1.00 0.00 C ATOM 1186 CD2 LEU A 76 -0.176 -14.304 5.698 1.00 0.00 C ATOM 0 H LEU A 76 -1.449 -16.700 1.432 1.00 0.00 H new ATOM 0 HA LEU A 76 0.862 -17.470 3.116 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.106 -15.046 3.045 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.420 -15.566 3.733 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.177 -16.437 5.723 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.137 -15.668 6.074 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.010 -16.761 4.676 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.163 -15.006 4.423 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.247 -14.213 6.698 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.199 -13.495 5.071 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.263 -14.244 5.757 1.00 0.00 H new ATOM 1198 N ASN A 77 -0.410 -18.980 4.630 1.00 0.00 N ATOM 1199 CA ASN A 77 -1.117 -20.006 5.389 1.00 0.00 C ATOM 1200 C ASN A 77 -1.657 -19.440 6.698 1.00 0.00 C ATOM 1201 O ASN A 77 -1.142 -18.449 7.218 1.00 0.00 O ATOM 1202 CB ASN A 77 -0.189 -21.188 5.675 1.00 0.00 C ATOM 1203 CG ASN A 77 0.505 -21.695 4.426 1.00 0.00 C ATOM 1204 OD1 ASN A 77 0.104 -21.375 3.307 1.00 0.00 O ATOM 1205 ND2 ASN A 77 1.553 -22.489 4.612 1.00 0.00 N ATOM 0 H ASN A 77 0.589 -18.923 4.827 1.00 0.00 H new ATOM 0 HA ASN A 77 -1.959 -20.351 4.789 1.00 0.00 H new ATOM 0 HB2 ASN A 77 0.561 -20.889 6.407 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -0.765 -21.999 6.121 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.061 -22.860 3.809 1.00 0.00 H new ATOM 0 HD22 ASN A 77 1.850 -22.728 5.558 1.00 0.00 H new ATOM 1212 N VAL A 78 -2.697 -20.075 7.227 1.00 0.00 N ATOM 1213 CA VAL A 78 -3.306 -19.636 8.477 1.00 0.00 C ATOM 1214 C VAL A 78 -2.336 -19.787 9.644 1.00 0.00 C ATOM 1215 O VAL A 78 -1.514 -20.702 9.667 1.00 0.00 O ATOM 1216 CB VAL A 78 -4.590 -20.429 8.785 1.00 0.00 C ATOM 1217 CG1 VAL A 78 -5.453 -20.555 7.539 1.00 0.00 C ATOM 1218 CG2 VAL A 78 -4.246 -21.801 9.346 1.00 0.00 C ATOM 0 H VAL A 78 -3.136 -20.896 6.810 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.559 -18.583 8.353 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.160 -19.885 9.538 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.355 -21.118 7.777 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.728 -19.561 7.185 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.895 -21.076 6.761 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.165 -22.348 9.558 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.654 -22.354 8.617 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.672 -21.685 10.266 1.00 0.00 H new ATOM 1228 N GLY A 79 -2.439 -18.882 10.613 1.00 0.00 N ATOM 1229 CA GLY A 79 -1.565 -18.932 11.770 1.00 0.00 C ATOM 1230 C GLY A 79 -0.196 -18.345 11.489 1.00 0.00 C ATOM 1231 O GLY A 79 0.408 -17.720 12.360 1.00 0.00 O ATOM 0 H GLY A 79 -3.112 -18.116 10.617 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -2.027 -18.389 12.594 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -1.454 -19.967 12.093 1.00 0.00 H new ATOM 1235 N GLU A 80 0.293 -18.546 10.270 1.00 0.00 N ATOM 1236 CA GLU A 80 1.601 -18.034 9.878 1.00 0.00 C ATOM 1237 C GLU A 80 1.476 -16.651 9.246 1.00 0.00 C ATOM 1238 O GLU A 80 0.371 -16.163 9.008 1.00 0.00 O ATOM 1239 CB GLU A 80 2.278 -18.995 8.899 1.00 0.00 C ATOM 1240 CG GLU A 80 2.663 -20.327 9.521 1.00 0.00 C ATOM 1241 CD GLU A 80 3.371 -20.165 10.853 1.00 0.00 C ATOM 1242 OE1 GLU A 80 4.109 -19.172 11.017 1.00 0.00 O ATOM 1243 OE2 GLU A 80 3.186 -21.034 11.731 1.00 0.00 O ATOM 0 H GLU A 80 -0.196 -19.059 9.537 1.00 0.00 H new ATOM 0 HA GLU A 80 2.214 -17.951 10.776 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.608 -19.176 8.059 1.00 0.00 H new ATOM 0 HB3 GLU A 80 3.172 -18.520 8.496 1.00 0.00 H new ATOM 0 HG2 GLU A 80 1.767 -20.931 9.661 1.00 0.00 H new ATOM 0 HG3 GLU A 80 3.310 -20.872 8.833 1.00 0.00 H new ATOM 1250 N SER A 81 2.617 -16.024 8.976 1.00 0.00 N ATOM 1251 CA SER A 81 2.636 -14.696 8.376 1.00 0.00 C ATOM 1252 C SER A 81 3.738 -14.590 7.326 1.00 0.00 C ATOM 1253 O SER A 81 4.512 -15.526 7.126 1.00 0.00 O ATOM 1254 CB SER A 81 2.839 -13.628 9.453 1.00 0.00 C ATOM 1255 OG SER A 81 1.940 -13.816 10.532 1.00 0.00 O ATOM 0 H SER A 81 3.540 -16.415 9.164 1.00 0.00 H new ATOM 0 HA SER A 81 1.675 -14.532 7.888 1.00 0.00 H new ATOM 0 HB2 SER A 81 3.865 -13.666 9.819 1.00 0.00 H new ATOM 0 HB3 SER A 81 2.692 -12.638 9.021 1.00 0.00 H new ATOM 0 HG SER A 81 2.090 -13.122 11.208 1.00 0.00 H new ATOM 1261 N MET A 82 3.802 -13.443 6.657 1.00 0.00 N ATOM 1262 CA MET A 82 4.809 -13.214 5.628 1.00 0.00 C ATOM 1263 C MET A 82 5.111 -11.725 5.485 1.00 0.00 C ATOM 1264 O MET A 82 4.459 -10.889 6.109 1.00 0.00 O ATOM 1265 CB MET A 82 4.338 -13.781 4.288 1.00 0.00 C ATOM 1266 CG MET A 82 3.150 -13.040 3.697 1.00 0.00 C ATOM 1267 SD MET A 82 2.368 -13.944 2.348 1.00 0.00 S ATOM 1268 CE MET A 82 3.439 -13.505 0.981 1.00 0.00 C ATOM 0 H MET A 82 3.168 -12.658 6.809 1.00 0.00 H new ATOM 0 HA MET A 82 5.723 -13.725 5.929 1.00 0.00 H new ATOM 0 HB2 MET A 82 5.165 -13.749 3.579 1.00 0.00 H new ATOM 0 HB3 MET A 82 4.072 -14.830 4.420 1.00 0.00 H new ATOM 0 HG2 MET A 82 2.415 -12.857 4.481 1.00 0.00 H new ATOM 0 HG3 MET A 82 3.478 -12.066 3.334 1.00 0.00 H new ATOM 0 HE1 MET A 82 2.837 -13.331 0.089 1.00 0.00 H new ATOM 0 HE2 MET A 82 3.992 -12.599 1.228 1.00 0.00 H new ATOM 0 HE3 MET A 82 4.141 -14.318 0.793 1.00 0.00 H new ATOM 1278 N GLN A 83 6.104 -11.404 4.661 1.00 0.00 N ATOM 1279 CA GLN A 83 6.492 -10.016 4.439 1.00 0.00 C ATOM 1280 C GLN A 83 6.323 -9.632 2.972 1.00 0.00 C ATOM 1281 O GLN A 83 6.549 -10.447 2.076 1.00 0.00 O ATOM 1282 CB GLN A 83 7.942 -9.794 4.873 1.00 0.00 C ATOM 1283 CG GLN A 83 8.101 -9.562 6.367 1.00 0.00 C ATOM 1284 CD GLN A 83 9.552 -9.420 6.784 1.00 0.00 C ATOM 1285 OE1 GLN A 83 10.442 -10.035 6.196 1.00 0.00 O ATOM 1286 NE2 GLN A 83 9.798 -8.606 7.803 1.00 0.00 N ATOM 0 H GLN A 83 6.653 -12.085 4.137 1.00 0.00 H new ATOM 0 HA GLN A 83 5.840 -9.382 5.039 1.00 0.00 H new ATOM 0 HB2 GLN A 83 8.536 -10.661 4.583 1.00 0.00 H new ATOM 0 HB3 GLN A 83 8.346 -8.936 4.335 1.00 0.00 H new ATOM 0 HG2 GLN A 83 7.555 -8.662 6.651 1.00 0.00 H new ATOM 0 HG3 GLN A 83 7.650 -10.393 6.910 1.00 0.00 H new ATOM 0 HE21 GLN A 83 9.030 -8.116 8.261 1.00 0.00 H new ATOM 0 HE22 GLN A 83 10.755 -8.470 8.128 1.00 0.00 H new ATOM 1295 N LEU A 84 5.923 -8.388 2.734 1.00 0.00 N ATOM 1296 CA LEU A 84 5.724 -7.895 1.376 1.00 0.00 C ATOM 1297 C LEU A 84 6.441 -6.565 1.168 1.00 0.00 C ATOM 1298 O LEU A 84 6.111 -5.566 1.806 1.00 0.00 O ATOM 1299 CB LEU A 84 4.230 -7.734 1.085 1.00 0.00 C ATOM 1300 CG LEU A 84 3.400 -9.017 1.108 1.00 0.00 C ATOM 1301 CD1 LEU A 84 1.916 -8.694 1.021 1.00 0.00 C ATOM 1302 CD2 LEU A 84 3.814 -9.941 -0.028 1.00 0.00 C ATOM 0 H LEU A 84 5.730 -7.702 3.464 1.00 0.00 H new ATOM 0 HA LEU A 84 6.146 -8.625 0.685 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.811 -7.041 1.814 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.119 -7.271 0.105 1.00 0.00 H new ATOM 0 HG LEU A 84 3.585 -9.530 2.052 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.341 -9.620 1.039 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.629 -8.072 1.869 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.714 -8.159 0.093 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.212 -10.849 0.004 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.659 -9.437 -0.982 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.867 -10.200 0.079 1.00 0.00 H new ATOM 1314 N GLU A 85 7.421 -6.561 0.270 1.00 0.00 N ATOM 1315 CA GLU A 85 8.183 -5.353 -0.023 1.00 0.00 C ATOM 1316 C GLU A 85 7.486 -4.515 -1.091 1.00 0.00 C ATOM 1317 O GLU A 85 6.959 -5.048 -2.068 1.00 0.00 O ATOM 1318 CB GLU A 85 9.596 -5.714 -0.483 1.00 0.00 C ATOM 1319 CG GLU A 85 10.597 -5.828 0.655 1.00 0.00 C ATOM 1320 CD GLU A 85 10.540 -7.176 1.347 1.00 0.00 C ATOM 1321 OE1 GLU A 85 9.544 -7.437 2.054 1.00 0.00 O ATOM 1322 OE2 GLU A 85 11.490 -7.969 1.183 1.00 0.00 O ATOM 0 H GLU A 85 7.706 -7.380 -0.267 1.00 0.00 H new ATOM 0 HA GLU A 85 8.246 -4.763 0.892 1.00 0.00 H new ATOM 0 HB2 GLU A 85 9.563 -6.661 -1.022 1.00 0.00 H new ATOM 0 HB3 GLU A 85 9.944 -4.958 -1.187 1.00 0.00 H new ATOM 0 HG2 GLU A 85 11.603 -5.665 0.267 1.00 0.00 H new ATOM 0 HG3 GLU A 85 10.404 -5.041 1.384 1.00 0.00 H new ATOM 1329 N VAL A 86 7.487 -3.200 -0.898 1.00 0.00 N ATOM 1330 CA VAL A 86 6.856 -2.288 -1.845 1.00 0.00 C ATOM 1331 C VAL A 86 7.840 -1.226 -2.324 1.00 0.00 C ATOM 1332 O VAL A 86 8.550 -0.618 -1.524 1.00 0.00 O ATOM 1333 CB VAL A 86 5.631 -1.593 -1.222 1.00 0.00 C ATOM 1334 CG1 VAL A 86 5.114 -0.497 -2.142 1.00 0.00 C ATOM 1335 CG2 VAL A 86 4.538 -2.608 -0.922 1.00 0.00 C ATOM 0 H VAL A 86 7.918 -2.742 -0.095 1.00 0.00 H new ATOM 0 HA VAL A 86 6.531 -2.888 -2.695 1.00 0.00 H new ATOM 0 HB VAL A 86 5.935 -1.132 -0.282 1.00 0.00 H new ATOM 0 HG11 VAL A 86 4.248 -0.017 -1.685 1.00 0.00 H new ATOM 0 HG12 VAL A 86 5.898 0.244 -2.302 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.825 -0.931 -3.099 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.680 -2.100 -0.482 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.234 -3.099 -1.846 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.916 -3.353 -0.222 1.00 0.00 H new ATOM 1345 N GLU A 87 7.875 -1.009 -3.635 1.00 0.00 N ATOM 1346 CA GLU A 87 8.773 -0.020 -4.221 1.00 0.00 C ATOM 1347 C GLU A 87 7.985 1.138 -4.827 1.00 0.00 C ATOM 1348 O GLU A 87 6.995 0.930 -5.529 1.00 0.00 O ATOM 1349 CB GLU A 87 9.653 -0.669 -5.292 1.00 0.00 C ATOM 1350 CG GLU A 87 10.907 0.127 -5.612 1.00 0.00 C ATOM 1351 CD GLU A 87 11.455 -0.179 -6.993 1.00 0.00 C ATOM 1352 OE1 GLU A 87 11.167 -1.277 -7.515 1.00 0.00 O ATOM 1353 OE2 GLU A 87 12.170 0.678 -7.551 1.00 0.00 O ATOM 0 H GLU A 87 7.293 -1.504 -4.311 1.00 0.00 H new ATOM 0 HA GLU A 87 9.409 0.372 -3.427 1.00 0.00 H new ATOM 0 HB2 GLU A 87 9.941 -1.666 -4.959 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.069 -0.794 -6.204 1.00 0.00 H new ATOM 0 HG2 GLU A 87 10.685 1.192 -5.541 1.00 0.00 H new ATOM 0 HG3 GLU A 87 11.671 -0.090 -4.866 1.00 0.00 H new ATOM 1360 N PHE A 88 8.432 2.358 -4.550 1.00 0.00 N ATOM 1361 CA PHE A 88 7.770 3.550 -5.066 1.00 0.00 C ATOM 1362 C PHE A 88 8.756 4.707 -5.198 1.00 0.00 C ATOM 1363 O PHE A 88 9.227 5.251 -4.199 1.00 0.00 O ATOM 1364 CB PHE A 88 6.613 3.954 -4.150 1.00 0.00 C ATOM 1365 CG PHE A 88 6.249 5.408 -4.247 1.00 0.00 C ATOM 1366 CD1 PHE A 88 5.746 5.932 -5.427 1.00 0.00 C ATOM 1367 CD2 PHE A 88 6.411 6.250 -3.159 1.00 0.00 C ATOM 1368 CE1 PHE A 88 5.411 7.270 -5.520 1.00 0.00 C ATOM 1369 CE2 PHE A 88 6.077 7.589 -3.246 1.00 0.00 C ATOM 1370 CZ PHE A 88 5.577 8.099 -4.428 1.00 0.00 C ATOM 0 H PHE A 88 9.250 2.547 -3.971 1.00 0.00 H new ATOM 0 HA PHE A 88 7.377 3.316 -6.055 1.00 0.00 H new ATOM 0 HB2 PHE A 88 5.738 3.352 -4.396 1.00 0.00 H new ATOM 0 HB3 PHE A 88 6.879 3.723 -3.119 1.00 0.00 H new ATOM 0 HD1 PHE A 88 5.614 5.288 -6.284 1.00 0.00 H new ATOM 0 HD2 PHE A 88 6.802 5.856 -2.233 1.00 0.00 H new ATOM 0 HE1 PHE A 88 5.020 7.666 -6.445 1.00 0.00 H new ATOM 0 HE2 PHE A 88 6.207 8.235 -2.391 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.316 9.145 -4.498 1.00 0.00 H new ATOM 1380 N GLU A 89 9.063 5.077 -6.437 1.00 0.00 N ATOM 1381 CA GLU A 89 9.995 6.168 -6.699 1.00 0.00 C ATOM 1382 C GLU A 89 9.362 7.217 -7.609 1.00 0.00 C ATOM 1383 O GLU A 89 9.264 7.044 -8.824 1.00 0.00 O ATOM 1384 CB GLU A 89 11.278 5.631 -7.337 1.00 0.00 C ATOM 1385 CG GLU A 89 12.247 6.720 -7.765 1.00 0.00 C ATOM 1386 CD GLU A 89 11.993 7.203 -9.180 1.00 0.00 C ATOM 1387 OE1 GLU A 89 11.570 6.382 -10.020 1.00 0.00 O ATOM 1388 OE2 GLU A 89 12.218 8.402 -9.447 1.00 0.00 O ATOM 0 H GLU A 89 8.681 4.638 -7.275 1.00 0.00 H new ATOM 0 HA GLU A 89 10.241 6.638 -5.747 1.00 0.00 H new ATOM 0 HB2 GLU A 89 11.777 4.970 -6.628 1.00 0.00 H new ATOM 0 HB3 GLU A 89 11.016 5.027 -8.206 1.00 0.00 H new ATOM 0 HG2 GLU A 89 12.168 7.562 -7.078 1.00 0.00 H new ATOM 0 HG3 GLU A 89 13.267 6.343 -7.691 1.00 0.00 H new ATOM 1395 N PRO A 90 8.921 8.332 -7.008 1.00 0.00 N ATOM 1396 CA PRO A 90 8.290 9.431 -7.744 1.00 0.00 C ATOM 1397 C PRO A 90 9.281 10.182 -8.628 1.00 0.00 C ATOM 1398 O PRO A 90 10.474 9.882 -8.629 1.00 0.00 O ATOM 1399 CB PRO A 90 7.764 10.345 -6.635 1.00 0.00 C ATOM 1400 CG PRO A 90 8.638 10.061 -5.463 1.00 0.00 C ATOM 1401 CD PRO A 90 9.005 8.606 -5.564 1.00 0.00 C ATOM 0 HA PRO A 90 7.516 9.074 -8.424 1.00 0.00 H new ATOM 0 HB2 PRO A 90 7.821 11.394 -6.926 1.00 0.00 H new ATOM 0 HB3 PRO A 90 6.719 10.133 -6.410 1.00 0.00 H new ATOM 0 HG2 PRO A 90 9.528 10.690 -5.478 1.00 0.00 H new ATOM 0 HG3 PRO A 90 8.117 10.268 -4.528 1.00 0.00 H new ATOM 0 HD2 PRO A 90 10.006 8.416 -5.177 1.00 0.00 H new ATOM 0 HD3 PRO A 90 8.319 7.978 -4.995 1.00 0.00 H new ATOM 1409 N GLN A 91 8.777 11.157 -9.377 1.00 0.00 N ATOM 1410 CA GLN A 91 9.620 11.950 -10.265 1.00 0.00 C ATOM 1411 C GLN A 91 9.607 13.420 -9.859 1.00 0.00 C ATOM 1412 O GLN A 91 10.626 14.105 -9.942 1.00 0.00 O ATOM 1413 CB GLN A 91 9.149 11.804 -11.713 1.00 0.00 C ATOM 1414 CG GLN A 91 9.610 10.516 -12.376 1.00 0.00 C ATOM 1415 CD GLN A 91 11.093 10.519 -12.688 1.00 0.00 C ATOM 1416 OE1 GLN A 91 11.910 10.218 -11.685 1.00 0.00 O flip ATOM 1417 NE2 GLN A 91 11.501 10.788 -13.819 1.00 0.00 N flip ATOM 0 H GLN A 91 7.791 11.417 -9.387 1.00 0.00 H new ATOM 0 HA GLN A 91 10.642 11.579 -10.183 1.00 0.00 H new ATOM 0 HB2 GLN A 91 8.060 11.846 -11.738 1.00 0.00 H new ATOM 0 HB3 GLN A 91 9.514 12.652 -12.292 1.00 0.00 H new ATOM 0 HG2 GLN A 91 9.382 9.674 -11.723 1.00 0.00 H new ATOM 0 HG3 GLN A 91 9.049 10.365 -13.298 1.00 0.00 H new ATOM 0 HE21 GLN A 91 10.838 11.014 -14.560 1.00 0.00 H new ATOM 0 HE22 GLN A 91 12.502 10.785 -14.014 1.00 0.00 H new ATOM 1426 N SER A 92 8.447 13.897 -9.420 1.00 0.00 N ATOM 1427 CA SER A 92 8.300 15.287 -9.005 1.00 0.00 C ATOM 1428 C SER A 92 8.047 15.382 -7.504 1.00 0.00 C ATOM 1429 O SER A 92 7.434 14.496 -6.908 1.00 0.00 O ATOM 1430 CB SER A 92 7.154 15.952 -9.770 1.00 0.00 C ATOM 1431 OG SER A 92 7.471 16.093 -11.144 1.00 0.00 O ATOM 0 H SER A 92 7.595 13.341 -9.342 1.00 0.00 H new ATOM 0 HA SER A 92 9.230 15.808 -9.233 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.247 15.357 -9.662 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.945 16.931 -9.339 1.00 0.00 H new ATOM 0 HG SER A 92 6.722 16.519 -11.611 1.00 0.00 H new ATOM 1437 N VAL A 93 8.524 16.464 -6.897 1.00 0.00 N ATOM 1438 CA VAL A 93 8.350 16.677 -5.465 1.00 0.00 C ATOM 1439 C VAL A 93 6.883 16.902 -5.117 1.00 0.00 C ATOM 1440 O VAL A 93 6.151 17.554 -5.860 1.00 0.00 O ATOM 1441 CB VAL A 93 9.173 17.882 -4.972 1.00 0.00 C ATOM 1442 CG1 VAL A 93 8.981 18.085 -3.477 1.00 0.00 C ATOM 1443 CG2 VAL A 93 10.645 17.695 -5.309 1.00 0.00 C ATOM 0 H VAL A 93 9.034 17.207 -7.375 1.00 0.00 H new ATOM 0 HA VAL A 93 8.705 15.775 -4.966 1.00 0.00 H new ATOM 0 HB VAL A 93 8.817 18.776 -5.484 1.00 0.00 H new ATOM 0 HG11 VAL A 93 9.570 18.941 -3.147 1.00 0.00 H new ATOM 0 HG12 VAL A 93 7.927 18.268 -3.267 1.00 0.00 H new ATOM 0 HG13 VAL A 93 9.308 17.192 -2.944 1.00 0.00 H new ATOM 0 HG21 VAL A 93 11.212 18.556 -4.954 1.00 0.00 H new ATOM 0 HG22 VAL A 93 11.017 16.791 -4.826 1.00 0.00 H new ATOM 0 HG23 VAL A 93 10.762 17.604 -6.389 1.00 0.00 H new ATOM 1453 N GLY A 94 6.459 16.357 -3.981 1.00 0.00 N ATOM 1454 CA GLY A 94 5.080 16.509 -3.554 1.00 0.00 C ATOM 1455 C GLY A 94 4.467 15.200 -3.098 1.00 0.00 C ATOM 1456 O GLY A 94 4.932 14.124 -3.475 1.00 0.00 O ATOM 0 H GLY A 94 7.046 15.813 -3.349 1.00 0.00 H new ATOM 0 HA2 GLY A 94 5.033 17.232 -2.740 1.00 0.00 H new ATOM 0 HA3 GLY A 94 4.491 16.916 -4.376 1.00 0.00 H new ATOM 1460 N ASP A 95 3.421 15.291 -2.283 1.00 0.00 N ATOM 1461 CA ASP A 95 2.743 14.104 -1.774 1.00 0.00 C ATOM 1462 C ASP A 95 2.096 13.319 -2.911 1.00 0.00 C ATOM 1463 O ASP A 95 1.433 13.891 -3.776 1.00 0.00 O ATOM 1464 CB ASP A 95 1.685 14.498 -0.743 1.00 0.00 C ATOM 1465 CG ASP A 95 1.195 13.313 0.065 1.00 0.00 C ATOM 1466 OD1 ASP A 95 0.560 12.414 -0.525 1.00 0.00 O ATOM 1467 OD2 ASP A 95 1.446 13.285 1.288 1.00 0.00 O ATOM 0 H ASP A 95 3.025 16.174 -1.961 1.00 0.00 H new ATOM 0 HA ASP A 95 3.487 13.468 -1.294 1.00 0.00 H new ATOM 0 HB2 ASP A 95 2.100 15.247 -0.069 1.00 0.00 H new ATOM 0 HB3 ASP A 95 0.840 14.961 -1.253 1.00 0.00 H new ATOM 1472 N HIS A 96 2.295 12.004 -2.903 1.00 0.00 N ATOM 1473 CA HIS A 96 1.730 11.140 -3.933 1.00 0.00 C ATOM 1474 C HIS A 96 0.924 10.005 -3.309 1.00 0.00 C ATOM 1475 O HIS A 96 1.481 9.117 -2.664 1.00 0.00 O ATOM 1476 CB HIS A 96 2.842 10.567 -4.813 1.00 0.00 C ATOM 1477 CG HIS A 96 3.582 11.607 -5.597 1.00 0.00 C ATOM 1478 ND1 HIS A 96 3.054 12.227 -6.710 1.00 0.00 N ATOM 1479 CD2 HIS A 96 4.815 12.138 -5.422 1.00 0.00 C ATOM 1480 CE1 HIS A 96 3.932 13.092 -7.187 1.00 0.00 C ATOM 1481 NE2 HIS A 96 5.008 13.058 -6.422 1.00 0.00 N ATOM 0 H HIS A 96 2.843 11.515 -2.195 1.00 0.00 H new ATOM 0 HA HIS A 96 1.061 11.741 -4.549 1.00 0.00 H new ATOM 0 HB2 HIS A 96 3.549 10.026 -4.184 1.00 0.00 H new ATOM 0 HB3 HIS A 96 2.411 9.842 -5.503 1.00 0.00 H new ATOM 0 HD2 HIS A 96 5.516 11.885 -4.641 1.00 0.00 H new ATOM 0 HE1 HIS A 96 3.793 13.720 -8.055 1.00 0.00 H new ATOM 0 HE2 HIS A 96 5.847 13.624 -6.553 1.00 0.00 H new ATOM 1490 N SER A 97 -0.390 10.042 -3.505 1.00 0.00 N ATOM 1491 CA SER A 97 -1.273 9.019 -2.957 1.00 0.00 C ATOM 1492 C SER A 97 -1.777 8.090 -4.058 1.00 0.00 C ATOM 1493 O SER A 97 -1.864 8.479 -5.222 1.00 0.00 O ATOM 1494 CB SER A 97 -2.458 9.669 -2.241 1.00 0.00 C ATOM 1495 OG SER A 97 -3.102 10.616 -3.075 1.00 0.00 O ATOM 0 H SER A 97 -0.867 10.769 -4.039 1.00 0.00 H new ATOM 0 HA SER A 97 -0.703 8.428 -2.240 1.00 0.00 H new ATOM 0 HB2 SER A 97 -3.171 8.901 -1.940 1.00 0.00 H new ATOM 0 HB3 SER A 97 -2.113 10.158 -1.330 1.00 0.00 H new ATOM 0 HG SER A 97 -3.857 11.016 -2.594 1.00 0.00 H new ATOM 1501 N GLY A 98 -2.109 6.860 -3.680 1.00 0.00 N ATOM 1502 CA GLY A 98 -2.600 5.894 -4.645 1.00 0.00 C ATOM 1503 C GLY A 98 -3.598 4.926 -4.040 1.00 0.00 C ATOM 1504 O GLY A 98 -4.254 5.240 -3.047 1.00 0.00 O ATOM 0 H GLY A 98 -2.047 6.515 -2.722 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -3.068 6.421 -5.476 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.759 5.335 -5.055 1.00 0.00 H new ATOM 1508 N ARG A 99 -3.713 3.746 -4.641 1.00 0.00 N ATOM 1509 CA ARG A 99 -4.640 2.730 -4.157 1.00 0.00 C ATOM 1510 C ARG A 99 -4.219 1.341 -4.628 1.00 0.00 C ATOM 1511 O ARG A 99 -4.105 1.088 -5.828 1.00 0.00 O ATOM 1512 CB ARG A 99 -6.060 3.034 -4.638 1.00 0.00 C ATOM 1513 CG ARG A 99 -7.124 2.170 -3.981 1.00 0.00 C ATOM 1514 CD ARG A 99 -8.460 2.892 -3.906 1.00 0.00 C ATOM 1515 NE ARG A 99 -8.357 4.161 -3.191 1.00 0.00 N ATOM 1516 CZ ARG A 99 -9.409 4.879 -2.813 1.00 0.00 C ATOM 1517 NH1 ARG A 99 -10.636 4.455 -3.080 1.00 0.00 N ATOM 1518 NH2 ARG A 99 -9.234 6.024 -2.166 1.00 0.00 N ATOM 0 H ARG A 99 -3.176 3.470 -5.463 1.00 0.00 H new ATOM 0 HA ARG A 99 -4.621 2.747 -3.067 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -6.284 4.083 -4.442 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -6.106 2.894 -5.718 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -7.241 1.244 -4.544 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -6.801 1.894 -2.977 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -8.831 3.073 -4.915 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -9.190 2.253 -3.408 1.00 0.00 H new ATOM 0 HE ARG A 99 -7.427 4.516 -2.970 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -10.775 3.575 -3.577 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -11.442 5.009 -2.788 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -8.291 6.354 -1.958 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -10.042 6.575 -1.876 1.00 0.00 H new ATOM 1532 N LEU A 100 -3.988 0.444 -3.676 1.00 0.00 N ATOM 1533 CA LEU A 100 -3.579 -0.920 -3.993 1.00 0.00 C ATOM 1534 C LEU A 100 -4.773 -1.868 -3.962 1.00 0.00 C ATOM 1535 O LEU A 100 -5.427 -2.026 -2.930 1.00 0.00 O ATOM 1536 CB LEU A 100 -2.511 -1.395 -3.006 1.00 0.00 C ATOM 1537 CG LEU A 100 -1.310 -0.467 -2.818 1.00 0.00 C ATOM 1538 CD1 LEU A 100 -0.379 -1.009 -1.744 1.00 0.00 C ATOM 1539 CD2 LEU A 100 -0.564 -0.288 -4.132 1.00 0.00 C ATOM 0 H LEU A 100 -4.077 0.636 -2.678 1.00 0.00 H new ATOM 0 HA LEU A 100 -3.162 -0.923 -5.000 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -2.983 -1.546 -2.035 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.145 -2.367 -3.337 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.675 0.508 -2.495 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.470 -0.335 -1.624 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -0.918 -1.085 -0.800 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -0.020 -1.996 -2.037 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.287 0.375 -3.980 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.211 -1.257 -4.485 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -1.234 0.146 -4.874 1.00 0.00 H new ATOM 1551 N ILE A 101 -5.051 -2.499 -5.098 1.00 0.00 N ATOM 1552 CA ILE A 101 -6.165 -3.434 -5.200 1.00 0.00 C ATOM 1553 C ILE A 101 -5.678 -4.877 -5.134 1.00 0.00 C ATOM 1554 O ILE A 101 -4.799 -5.283 -5.894 1.00 0.00 O ATOM 1555 CB ILE A 101 -6.954 -3.229 -6.506 1.00 0.00 C ATOM 1556 CG1 ILE A 101 -7.526 -1.811 -6.566 1.00 0.00 C ATOM 1557 CG2 ILE A 101 -8.068 -4.260 -6.619 1.00 0.00 C ATOM 1558 CD1 ILE A 101 -8.045 -1.426 -7.933 1.00 0.00 C ATOM 0 H ILE A 101 -4.520 -2.380 -5.961 1.00 0.00 H new ATOM 0 HA ILE A 101 -6.823 -3.236 -4.354 1.00 0.00 H new ATOM 0 HB ILE A 101 -6.274 -3.362 -7.348 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -8.335 -1.724 -5.841 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -6.753 -1.103 -6.267 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -8.617 -4.102 -7.547 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -7.638 -5.262 -6.617 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -8.748 -4.155 -5.773 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -8.435 -0.409 -7.901 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -7.234 -1.481 -8.659 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -8.841 -2.111 -8.226 1.00 0.00 H new ATOM 1570 N VAL A 102 -6.258 -5.650 -4.221 1.00 0.00 N ATOM 1571 CA VAL A 102 -5.885 -7.050 -4.057 1.00 0.00 C ATOM 1572 C VAL A 102 -7.004 -7.975 -4.524 1.00 0.00 C ATOM 1573 O VAL A 102 -8.186 -7.674 -4.350 1.00 0.00 O ATOM 1574 CB VAL A 102 -5.547 -7.373 -2.589 1.00 0.00 C ATOM 1575 CG1 VAL A 102 -5.000 -8.787 -2.466 1.00 0.00 C ATOM 1576 CG2 VAL A 102 -4.557 -6.359 -2.036 1.00 0.00 C ATOM 0 H VAL A 102 -6.988 -5.330 -3.584 1.00 0.00 H new ATOM 0 HA VAL A 102 -5.000 -7.216 -4.671 1.00 0.00 H new ATOM 0 HB VAL A 102 -6.462 -7.311 -2.001 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -4.767 -8.997 -1.422 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -5.746 -9.498 -2.822 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -4.095 -8.880 -3.066 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -4.329 -6.602 -0.998 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -3.640 -6.387 -2.625 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -4.991 -5.361 -2.088 1.00 0.00 H new ATOM 1586 N CYS A 103 -6.624 -9.100 -5.118 1.00 0.00 N ATOM 1587 CA CYS A 103 -7.596 -10.070 -5.612 1.00 0.00 C ATOM 1588 C CYS A 103 -7.490 -11.384 -4.845 1.00 0.00 C ATOM 1589 O CYS A 103 -6.393 -11.895 -4.617 1.00 0.00 O ATOM 1590 CB CYS A 103 -7.386 -10.319 -7.106 1.00 0.00 C ATOM 1591 SG CYS A 103 -8.833 -10.995 -7.953 1.00 0.00 S ATOM 0 H CYS A 103 -5.650 -9.364 -5.270 1.00 0.00 H new ATOM 0 HA CYS A 103 -8.594 -9.659 -5.457 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -7.104 -9.381 -7.584 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -6.549 -11.006 -7.235 1.00 0.00 H new ATOM 0 HG CYS A 103 -8.557 -11.169 -9.212 1.00 0.00 H new ATOM 1597 N TYR A 104 -8.636 -11.927 -4.449 1.00 0.00 N ATOM 1598 CA TYR A 104 -8.672 -13.180 -3.705 1.00 0.00 C ATOM 1599 C TYR A 104 -9.236 -14.308 -4.563 1.00 0.00 C ATOM 1600 O TYR A 104 -10.016 -14.070 -5.486 1.00 0.00 O ATOM 1601 CB TYR A 104 -9.513 -13.020 -2.437 1.00 0.00 C ATOM 1602 CG TYR A 104 -8.793 -12.297 -1.320 1.00 0.00 C ATOM 1603 CD1 TYR A 104 -8.021 -12.995 -0.400 1.00 0.00 C ATOM 1604 CD2 TYR A 104 -8.886 -10.918 -1.185 1.00 0.00 C ATOM 1605 CE1 TYR A 104 -7.362 -12.339 0.622 1.00 0.00 C ATOM 1606 CE2 TYR A 104 -8.230 -10.254 -0.167 1.00 0.00 C ATOM 1607 CZ TYR A 104 -7.469 -10.969 0.734 1.00 0.00 C ATOM 1608 OH TYR A 104 -6.815 -10.311 1.750 1.00 0.00 O ATOM 0 H TYR A 104 -9.553 -11.519 -4.631 1.00 0.00 H new ATOM 0 HA TYR A 104 -7.650 -13.437 -3.426 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -10.425 -12.476 -2.682 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -9.815 -14.006 -2.085 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -7.934 -14.068 -0.485 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -9.482 -10.355 -1.888 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -6.766 -12.897 1.329 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -8.312 -9.181 -0.077 1.00 0.00 H new ATOM 0 HH TYR A 104 -6.994 -9.350 1.685 1.00 0.00 H new ATOM 1618 N ASP A 105 -8.836 -15.536 -4.252 1.00 0.00 N ATOM 1619 CA ASP A 105 -9.302 -16.702 -4.992 1.00 0.00 C ATOM 1620 C ASP A 105 -10.792 -16.934 -4.760 1.00 0.00 C ATOM 1621 O ASP A 105 -11.522 -17.317 -5.675 1.00 0.00 O ATOM 1622 CB ASP A 105 -8.510 -17.944 -4.581 1.00 0.00 C ATOM 1623 CG ASP A 105 -8.605 -19.057 -5.605 1.00 0.00 C ATOM 1624 OD1 ASP A 105 -9.738 -19.475 -5.923 1.00 0.00 O ATOM 1625 OD2 ASP A 105 -7.546 -19.511 -6.089 1.00 0.00 O ATOM 0 H ASP A 105 -8.190 -15.749 -3.492 1.00 0.00 H new ATOM 0 HA ASP A 105 -9.143 -16.514 -6.054 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -7.464 -17.673 -4.439 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -8.879 -18.305 -3.621 1.00 0.00 H new ATOM 1630 N THR A 106 -11.237 -16.701 -3.529 1.00 0.00 N ATOM 1631 CA THR A 106 -12.639 -16.886 -3.176 1.00 0.00 C ATOM 1632 C THR A 106 -13.527 -15.884 -3.904 1.00 0.00 C ATOM 1633 O THR A 106 -14.655 -16.199 -4.281 1.00 0.00 O ATOM 1634 CB THR A 106 -12.859 -16.742 -1.658 1.00 0.00 C ATOM 1635 OG1 THR A 106 -14.238 -16.960 -1.340 1.00 0.00 O ATOM 1636 CG2 THR A 106 -12.434 -15.363 -1.178 1.00 0.00 C ATOM 0 H THR A 106 -10.647 -16.384 -2.760 1.00 0.00 H new ATOM 0 HA THR A 106 -12.911 -17.896 -3.481 1.00 0.00 H new ATOM 0 HB THR A 106 -12.248 -17.489 -1.152 1.00 0.00 H new ATOM 0 HG1 THR A 106 -14.369 -16.868 -0.373 1.00 0.00 H new ATOM 0 HG21 THR A 106 -12.599 -15.285 -0.103 1.00 0.00 H new ATOM 0 HG22 THR A 106 -11.377 -15.212 -1.395 1.00 0.00 H new ATOM 0 HG23 THR A 106 -13.022 -14.602 -1.691 1.00 0.00 H new ATOM 1644 N GLY A 107 -13.010 -14.675 -4.101 1.00 0.00 N ATOM 1645 CA GLY A 107 -13.770 -13.645 -4.784 1.00 0.00 C ATOM 1646 C GLY A 107 -13.922 -12.388 -3.952 1.00 0.00 C ATOM 1647 O GLY A 107 -15.037 -11.931 -3.704 1.00 0.00 O ATOM 0 H GLY A 107 -12.078 -14.391 -3.800 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -13.277 -13.397 -5.724 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -14.757 -14.033 -5.035 1.00 0.00 H new ATOM 1651 N GLU A 108 -12.797 -11.828 -3.518 1.00 0.00 N ATOM 1652 CA GLU A 108 -12.811 -10.616 -2.706 1.00 0.00 C ATOM 1653 C GLU A 108 -11.832 -9.582 -3.254 1.00 0.00 C ATOM 1654 O GLU A 108 -10.793 -9.931 -3.816 1.00 0.00 O ATOM 1655 CB GLU A 108 -12.462 -10.946 -1.253 1.00 0.00 C ATOM 1656 CG GLU A 108 -13.632 -11.496 -0.456 1.00 0.00 C ATOM 1657 CD GLU A 108 -13.196 -12.457 0.633 1.00 0.00 C ATOM 1658 OE1 GLU A 108 -12.191 -13.170 0.426 1.00 0.00 O ATOM 1659 OE2 GLU A 108 -13.858 -12.497 1.691 1.00 0.00 O ATOM 0 H GLU A 108 -11.865 -12.194 -3.715 1.00 0.00 H new ATOM 0 HA GLU A 108 -13.816 -10.195 -2.745 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -11.650 -11.673 -1.239 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -12.091 -10.045 -0.764 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -14.181 -10.669 -0.007 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -14.319 -12.006 -1.131 1.00 0.00 H new ATOM 1666 N LYS A 109 -12.171 -8.309 -3.088 1.00 0.00 N ATOM 1667 CA LYS A 109 -11.323 -7.222 -3.565 1.00 0.00 C ATOM 1668 C LYS A 109 -11.120 -6.173 -2.476 1.00 0.00 C ATOM 1669 O LYS A 109 -12.083 -5.615 -1.950 1.00 0.00 O ATOM 1670 CB LYS A 109 -11.941 -6.572 -4.805 1.00 0.00 C ATOM 1671 CG LYS A 109 -11.451 -7.170 -6.112 1.00 0.00 C ATOM 1672 CD LYS A 109 -11.663 -6.216 -7.276 1.00 0.00 C ATOM 1673 CE LYS A 109 -10.619 -6.421 -8.362 1.00 0.00 C ATOM 1674 NZ LYS A 109 -10.666 -7.799 -8.924 1.00 0.00 N ATOM 0 H LYS A 109 -13.028 -8.003 -2.626 1.00 0.00 H new ATOM 0 HA LYS A 109 -10.352 -7.641 -3.828 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -13.025 -6.670 -4.754 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -11.716 -5.505 -4.796 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -10.392 -7.413 -6.028 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -11.978 -8.104 -6.306 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -12.658 -6.366 -7.694 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -11.619 -5.188 -6.917 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -10.779 -5.697 -9.161 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -9.627 -6.229 -7.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -9.998 -7.873 -9.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -10.405 -8.484 -8.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -11.628 -8.004 -9.261 1.00 0.00 H new ATOM 1688 N VAL A 110 -9.860 -5.908 -2.143 1.00 0.00 N ATOM 1689 CA VAL A 110 -9.531 -4.924 -1.119 1.00 0.00 C ATOM 1690 C VAL A 110 -8.753 -3.755 -1.711 1.00 0.00 C ATOM 1691 O VAL A 110 -8.012 -3.915 -2.681 1.00 0.00 O ATOM 1692 CB VAL A 110 -8.705 -5.553 0.018 1.00 0.00 C ATOM 1693 CG1 VAL A 110 -7.250 -5.704 -0.399 1.00 0.00 C ATOM 1694 CG2 VAL A 110 -8.820 -4.719 1.285 1.00 0.00 C ATOM 0 H VAL A 110 -9.051 -6.361 -2.568 1.00 0.00 H new ATOM 0 HA VAL A 110 -10.475 -4.560 -0.714 1.00 0.00 H new ATOM 0 HB VAL A 110 -9.104 -6.546 0.226 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -6.682 -6.150 0.417 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -7.188 -6.346 -1.278 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -6.836 -4.724 -0.636 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -8.230 -5.179 2.078 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -8.448 -3.712 1.093 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -9.864 -4.668 1.593 1.00 0.00 H new ATOM 1704 N PHE A 111 -8.926 -2.577 -1.121 1.00 0.00 N ATOM 1705 CA PHE A 111 -8.240 -1.378 -1.590 1.00 0.00 C ATOM 1706 C PHE A 111 -7.487 -0.701 -0.449 1.00 0.00 C ATOM 1707 O PHE A 111 -8.045 -0.458 0.621 1.00 0.00 O ATOM 1708 CB PHE A 111 -9.242 -0.400 -2.206 1.00 0.00 C ATOM 1709 CG PHE A 111 -9.889 -0.915 -3.461 1.00 0.00 C ATOM 1710 CD1 PHE A 111 -10.577 -2.117 -3.458 1.00 0.00 C ATOM 1711 CD2 PHE A 111 -9.807 -0.196 -4.643 1.00 0.00 C ATOM 1712 CE1 PHE A 111 -11.173 -2.593 -4.610 1.00 0.00 C ATOM 1713 CE2 PHE A 111 -10.402 -0.667 -5.798 1.00 0.00 C ATOM 1714 CZ PHE A 111 -11.085 -1.868 -5.782 1.00 0.00 C ATOM 0 H PHE A 111 -9.535 -2.427 -0.317 1.00 0.00 H new ATOM 0 HA PHE A 111 -7.519 -1.676 -2.351 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -10.017 -0.176 -1.473 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -8.733 0.538 -2.428 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -10.648 -2.689 -2.545 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -9.272 0.742 -4.662 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -11.707 -3.531 -4.594 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -10.333 -0.097 -6.713 1.00 0.00 H new ATOM 0 HZ PHE A 111 -11.549 -2.239 -6.684 1.00 0.00 H new ATOM 1724 N VAL A 112 -6.214 -0.399 -0.685 1.00 0.00 N ATOM 1725 CA VAL A 112 -5.383 0.251 0.321 1.00 0.00 C ATOM 1726 C VAL A 112 -4.701 1.491 -0.246 1.00 0.00 C ATOM 1727 O VAL A 112 -3.823 1.392 -1.103 1.00 0.00 O ATOM 1728 CB VAL A 112 -4.308 -0.709 0.866 1.00 0.00 C ATOM 1729 CG1 VAL A 112 -3.521 -0.048 1.988 1.00 0.00 C ATOM 1730 CG2 VAL A 112 -4.945 -2.006 1.343 1.00 0.00 C ATOM 0 H VAL A 112 -5.736 -0.594 -1.565 1.00 0.00 H new ATOM 0 HA VAL A 112 -6.044 0.545 1.136 1.00 0.00 H new ATOM 0 HB VAL A 112 -3.615 -0.946 0.059 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -2.767 -0.741 2.360 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -3.033 0.851 1.610 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -4.199 0.221 2.798 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -4.171 -2.672 1.725 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -5.661 -1.790 2.136 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -5.459 -2.486 0.511 1.00 0.00 H new ATOM 1740 N SER A 113 -5.111 2.658 0.239 1.00 0.00 N ATOM 1741 CA SER A 113 -4.542 3.919 -0.222 1.00 0.00 C ATOM 1742 C SER A 113 -3.020 3.895 -0.128 1.00 0.00 C ATOM 1743 O SER A 113 -2.443 3.076 0.589 1.00 0.00 O ATOM 1744 CB SER A 113 -5.097 5.084 0.600 1.00 0.00 C ATOM 1745 OG SER A 113 -6.513 5.053 0.637 1.00 0.00 O ATOM 0 H SER A 113 -5.835 2.757 0.951 1.00 0.00 H new ATOM 0 HA SER A 113 -4.822 4.055 -1.267 1.00 0.00 H new ATOM 0 HB2 SER A 113 -4.702 5.037 1.615 1.00 0.00 H new ATOM 0 HB3 SER A 113 -4.762 6.028 0.171 1.00 0.00 H new ATOM 0 HG SER A 113 -6.843 5.807 1.170 1.00 0.00 H new ATOM 1751 N LEU A 114 -2.374 4.799 -0.856 1.00 0.00 N ATOM 1752 CA LEU A 114 -0.917 4.883 -0.856 1.00 0.00 C ATOM 1753 C LEU A 114 -0.453 6.280 -0.456 1.00 0.00 C ATOM 1754 O LEU A 114 -1.231 7.234 -0.477 1.00 0.00 O ATOM 1755 CB LEU A 114 -0.366 4.525 -2.237 1.00 0.00 C ATOM 1756 CG LEU A 114 -0.393 3.042 -2.607 1.00 0.00 C ATOM 1757 CD1 LEU A 114 0.027 2.845 -4.055 1.00 0.00 C ATOM 1758 CD2 LEU A 114 0.506 2.243 -1.676 1.00 0.00 C ATOM 0 H LEU A 114 -2.836 5.484 -1.454 1.00 0.00 H new ATOM 0 HA LEU A 114 -0.536 4.170 -0.124 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -0.934 5.076 -2.987 1.00 0.00 H new ATOM 0 HB3 LEU A 114 0.665 4.875 -2.297 1.00 0.00 H new ATOM 0 HG LEU A 114 -1.414 2.678 -2.494 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.002 1.783 -4.300 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -0.658 3.385 -4.709 1.00 0.00 H new ATOM 0 HD13 LEU A 114 1.039 3.226 -4.195 1.00 0.00 H new ATOM 0 HD21 LEU A 114 0.474 1.190 -1.955 1.00 0.00 H new ATOM 0 HD22 LEU A 114 1.530 2.609 -1.756 1.00 0.00 H new ATOM 0 HD23 LEU A 114 0.159 2.357 -0.649 1.00 0.00 H new ATOM 1770 N TYR A 115 0.821 6.393 -0.095 1.00 0.00 N ATOM 1771 CA TYR A 115 1.389 7.673 0.309 1.00 0.00 C ATOM 1772 C TYR A 115 2.909 7.663 0.169 1.00 0.00 C ATOM 1773 O TYR A 115 3.517 6.615 -0.043 1.00 0.00 O ATOM 1774 CB TYR A 115 1.001 7.994 1.754 1.00 0.00 C ATOM 1775 CG TYR A 115 -0.120 9.001 1.870 1.00 0.00 C ATOM 1776 CD1 TYR A 115 0.087 10.340 1.565 1.00 0.00 C ATOM 1777 CD2 TYR A 115 -1.389 8.612 2.283 1.00 0.00 C ATOM 1778 CE1 TYR A 115 -0.934 11.264 1.671 1.00 0.00 C ATOM 1779 CE2 TYR A 115 -2.417 9.529 2.390 1.00 0.00 C ATOM 1780 CZ TYR A 115 -2.185 10.853 2.084 1.00 0.00 C ATOM 1781 OH TYR A 115 -3.206 11.770 2.189 1.00 0.00 O ATOM 0 H TYR A 115 1.479 5.614 -0.074 1.00 0.00 H new ATOM 0 HA TYR A 115 0.986 8.444 -0.348 1.00 0.00 H new ATOM 0 HB2 TYR A 115 0.704 7.073 2.255 1.00 0.00 H new ATOM 0 HB3 TYR A 115 1.876 8.375 2.280 1.00 0.00 H new ATOM 0 HD1 TYR A 115 1.064 10.665 1.239 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -1.575 7.576 2.524 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -0.754 12.302 1.432 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -3.397 9.210 2.712 1.00 0.00 H new ATOM 0 HH TYR A 115 -4.022 11.318 2.491 1.00 0.00 H new ATOM 1791 N GLY A 116 3.516 8.840 0.290 1.00 0.00 N ATOM 1792 CA GLY A 116 4.959 8.945 0.175 1.00 0.00 C ATOM 1793 C GLY A 116 5.414 10.361 -0.120 1.00 0.00 C ATOM 1794 O GLY A 116 5.924 10.642 -1.204 1.00 0.00 O ATOM 0 H GLY A 116 3.035 9.722 0.465 1.00 0.00 H new ATOM 0 HA2 GLY A 116 5.420 8.604 1.102 1.00 0.00 H new ATOM 0 HA3 GLY A 116 5.307 8.282 -0.617 1.00 0.00 H new ATOM 1798 N ALA A 117 5.229 11.254 0.846 1.00 0.00 N ATOM 1799 CA ALA A 117 5.625 12.647 0.685 1.00 0.00 C ATOM 1800 C ALA A 117 7.078 12.756 0.233 1.00 0.00 C ATOM 1801 O ALA A 117 7.990 12.326 0.937 1.00 0.00 O ATOM 1802 CB ALA A 117 5.416 13.410 1.985 1.00 0.00 C ATOM 0 H ALA A 117 4.807 11.037 1.749 1.00 0.00 H new ATOM 0 HA ALA A 117 4.997 13.090 -0.088 1.00 0.00 H new ATOM 0 HB1 ALA A 117 5.716 14.449 1.849 1.00 0.00 H new ATOM 0 HB2 ALA A 117 4.363 13.370 2.265 1.00 0.00 H new ATOM 0 HB3 ALA A 117 6.019 12.958 2.773 1.00 0.00 H new ATOM 1808 N ALA A 118 7.284 13.334 -0.946 1.00 0.00 N ATOM 1809 CA ALA A 118 8.626 13.500 -1.490 1.00 0.00 C ATOM 1810 C ALA A 118 9.162 14.900 -1.212 1.00 0.00 C ATOM 1811 O ALA A 118 8.399 15.818 -0.910 1.00 0.00 O ATOM 1812 CB ALA A 118 8.627 13.221 -2.986 1.00 0.00 C ATOM 0 H ALA A 118 6.539 13.695 -1.542 1.00 0.00 H new ATOM 0 HA ALA A 118 9.282 12.783 -0.997 1.00 0.00 H new ATOM 0 HB1 ALA A 118 9.636 13.349 -3.379 1.00 0.00 H new ATOM 0 HB2 ALA A 118 8.294 12.199 -3.166 1.00 0.00 H new ATOM 0 HB3 ALA A 118 7.952 13.916 -3.486 1.00 0.00 H new ATOM 1818 N ILE A 119 10.478 15.056 -1.314 1.00 0.00 N ATOM 1819 CA ILE A 119 11.114 16.345 -1.073 1.00 0.00 C ATOM 1820 C ILE A 119 12.353 16.518 -1.946 1.00 0.00 C ATOM 1821 O ILE A 119 13.032 15.546 -2.276 1.00 0.00 O ATOM 1822 CB ILE A 119 11.515 16.507 0.405 1.00 0.00 C ATOM 1823 CG1 ILE A 119 12.284 15.275 0.886 1.00 0.00 C ATOM 1824 CG2 ILE A 119 10.282 16.739 1.266 1.00 0.00 C ATOM 1825 CD1 ILE A 119 13.784 15.401 0.736 1.00 0.00 C ATOM 0 H ILE A 119 11.124 14.306 -1.562 1.00 0.00 H new ATOM 0 HA ILE A 119 10.382 17.111 -1.329 1.00 0.00 H new ATOM 0 HB ILE A 119 12.166 17.376 0.496 1.00 0.00 H new ATOM 0 HG12 ILE A 119 12.046 15.095 1.934 1.00 0.00 H new ATOM 0 HG13 ILE A 119 11.943 14.403 0.327 1.00 0.00 H new ATOM 0 HG21 ILE A 119 10.582 16.852 2.308 1.00 0.00 H new ATOM 0 HG22 ILE A 119 9.772 17.644 0.935 1.00 0.00 H new ATOM 0 HG23 ILE A 119 9.608 15.888 1.172 1.00 0.00 H new ATOM 0 HD11 ILE A 119 14.263 14.491 1.097 1.00 0.00 H new ATOM 0 HD12 ILE A 119 14.033 15.550 -0.315 1.00 0.00 H new ATOM 0 HD13 ILE A 119 14.138 16.253 1.317 1.00 0.00 H new ATOM 1837 N ASP A 120 12.641 17.761 -2.314 1.00 0.00 N ATOM 1838 CA ASP A 120 13.800 18.063 -3.146 1.00 0.00 C ATOM 1839 C ASP A 120 15.082 18.046 -2.319 1.00 0.00 C ATOM 1840 O ASP A 120 15.224 18.804 -1.360 1.00 0.00 O ATOM 1841 CB ASP A 120 13.631 19.426 -3.819 1.00 0.00 C ATOM 1842 CG ASP A 120 14.949 20.006 -4.293 1.00 0.00 C ATOM 1843 OD1 ASP A 120 15.643 20.646 -3.476 1.00 0.00 O ATOM 1844 OD2 ASP A 120 15.286 19.820 -5.481 1.00 0.00 O ATOM 0 H ASP A 120 12.088 18.576 -2.049 1.00 0.00 H new ATOM 0 HA ASP A 120 13.874 17.294 -3.915 1.00 0.00 H new ATOM 0 HB2 ASP A 120 12.955 19.327 -4.668 1.00 0.00 H new ATOM 0 HB3 ASP A 120 13.164 20.118 -3.118 1.00 0.00 H new