USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=27 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 92 SER OG : rot 44:sc= 0.0441 USER MOD Set 1.2: A 96 HIS : no HE2:sc= -0.219 X(o=-0.18,f=-0.47) USER MOD Set 2.1: A 42 SER OG : rot 93:sc= 1.07 USER MOD Set 2.2: A 44 GLN :FLIP amide:sc= -4.08! C(o=-5.9!,f=-3!) USER MOD Set 3.1: A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 33 ASN :FLIP amide:sc= -0.0275 F(o=-0.58,f=-0.027) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.00479 USER MOD Single : A 37 CYS SG : rot 180:sc= 0.0425 USER MOD Single : A 40 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0482) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 138:sc= -1.02 USER MOD Single : A 45 LYS NZ :NH3+ 159:sc= 0.0314 (180deg=0.00298) USER MOD Single : A 51 ASN : amide:sc= -2.02! C(o=-2!,f=-15!) USER MOD Single : A 54 ASN : amide:sc= -0.458 K(o=-0.46,f=-3.5!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.0951 X(o=-0.095,f=-0.095) USER MOD Single : A 60 HIS : no HD1:sc= -3.83! C(o=-3.8!,f=-3.5!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 53:sc= -0.313 USER MOD Single : A 64 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot -140:sc= -0.358 USER MOD Single : A 75 THR OG1 : rot 35:sc= 0.0164 USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 81 SER OG : rot 180:sc= -0.023 USER MOD Single : A 82 MET CE :methyl -176:sc= -0.0801 (180deg=-0.0958) USER MOD Single : A 83 GLN :FLIP amide:sc= 0 F(o=-0.61,f=0) USER MOD Single : A 91 GLN :FLIP amide:sc= 0 F(o=-0.69,f=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 103 CYS SG : rot 180:sc= 0 USER MOD Single : A 104 TYR OH : rot 130:sc= -0.0115 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ -111:sc= -0.0358 (180deg=-0.711) 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 -11.425 -17.216 3.370 1.00 0.00 N ATOM 342 CA ALA A 24 -10.062 -16.802 3.680 1.00 0.00 C ATOM 343 C ALA A 24 -9.992 -15.303 3.948 1.00 0.00 C ATOM 344 O ALA A 24 -10.699 -14.516 3.318 1.00 0.00 O ATOM 345 CB ALA A 24 -9.125 -17.181 2.543 1.00 0.00 C ATOM 0 HA ALA A 24 -9.747 -17.322 4.585 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.110 -16.866 2.787 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.145 -18.261 2.400 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -9.447 -16.687 1.626 1.00 0.00 H new ATOM 351 N ILE A 25 -9.136 -14.914 4.887 1.00 0.00 N ATOM 352 CA ILE A 25 -8.973 -13.509 5.238 1.00 0.00 C ATOM 353 C ILE A 25 -7.534 -13.205 5.638 1.00 0.00 C ATOM 354 O ILE A 25 -6.875 -14.015 6.292 1.00 0.00 O ATOM 355 CB ILE A 25 -9.911 -13.105 6.391 1.00 0.00 C ATOM 356 CG1 ILE A 25 -11.363 -13.434 6.036 1.00 0.00 C ATOM 357 CG2 ILE A 25 -9.759 -11.623 6.703 1.00 0.00 C ATOM 358 CD1 ILE A 25 -12.296 -13.412 7.226 1.00 0.00 C ATOM 0 H ILE A 25 -8.544 -15.553 5.419 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.230 -12.930 4.351 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.636 -13.674 7.279 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -11.718 -12.719 5.293 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -11.401 -14.420 5.573 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -10.428 -11.353 7.520 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -8.729 -11.416 6.994 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -10.011 -11.037 5.819 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -13.307 -13.654 6.900 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -11.966 -14.146 7.961 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -12.288 -12.419 7.676 1.00 0.00 H new ATOM 370 N LEU A 26 -7.051 -12.032 5.244 1.00 0.00 N ATOM 371 CA LEU A 26 -5.689 -11.619 5.563 1.00 0.00 C ATOM 372 C LEU A 26 -5.690 -10.392 6.469 1.00 0.00 C ATOM 373 O LEU A 26 -6.742 -9.818 6.751 1.00 0.00 O ATOM 374 CB LEU A 26 -4.912 -11.318 4.280 1.00 0.00 C ATOM 375 CG LEU A 26 -4.314 -12.526 3.558 1.00 0.00 C ATOM 376 CD1 LEU A 26 -3.208 -13.152 4.392 1.00 0.00 C ATOM 377 CD2 LEU A 26 -5.396 -13.550 3.247 1.00 0.00 C ATOM 0 H LEU A 26 -7.582 -11.350 4.703 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.202 -12.438 6.092 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.577 -10.800 3.589 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.104 -10.628 4.522 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.882 -12.186 2.617 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.794 -14.010 3.862 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.421 -12.417 4.563 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.614 -13.478 5.349 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.953 -14.403 2.733 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.857 -13.885 4.176 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.154 -13.096 2.609 1.00 0.00 H new ATOM 389 N ASP A 27 -4.505 -9.996 6.921 1.00 0.00 N ATOM 390 CA ASP A 27 -4.369 -8.835 7.793 1.00 0.00 C ATOM 391 C ASP A 27 -3.658 -7.694 7.073 1.00 0.00 C ATOM 392 O ASP A 27 -2.440 -7.722 6.895 1.00 0.00 O ATOM 393 CB ASP A 27 -3.601 -9.211 9.062 1.00 0.00 C ATOM 394 CG ASP A 27 -3.361 -8.019 9.968 1.00 0.00 C ATOM 395 OD1 ASP A 27 -2.419 -7.247 9.694 1.00 0.00 O ATOM 396 OD2 ASP A 27 -4.115 -7.859 10.951 1.00 0.00 O ATOM 0 H ASP A 27 -3.625 -10.462 6.698 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.369 -8.499 8.068 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.158 -9.972 9.608 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.643 -9.653 8.786 1.00 0.00 H new ATOM 401 N PHE A 28 -4.426 -6.692 6.659 1.00 0.00 N ATOM 402 CA PHE A 28 -3.870 -5.543 5.955 1.00 0.00 C ATOM 403 C PHE A 28 -4.337 -4.237 6.592 1.00 0.00 C ATOM 404 O PHE A 28 -5.481 -4.103 7.027 1.00 0.00 O ATOM 405 CB PHE A 28 -4.275 -5.576 4.480 1.00 0.00 C ATOM 406 CG PHE A 28 -3.434 -6.503 3.649 1.00 0.00 C ATOM 407 CD1 PHE A 28 -2.248 -6.063 3.083 1.00 0.00 C ATOM 408 CD2 PHE A 28 -3.829 -7.813 3.433 1.00 0.00 C ATOM 409 CE1 PHE A 28 -1.471 -6.913 2.318 1.00 0.00 C ATOM 410 CE2 PHE A 28 -3.057 -8.667 2.669 1.00 0.00 C ATOM 411 CZ PHE A 28 -1.877 -8.216 2.110 1.00 0.00 C ATOM 0 H PHE A 28 -5.436 -6.653 6.799 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.784 -5.595 6.028 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.319 -5.880 4.405 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.205 -4.569 4.070 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -1.927 -5.044 3.241 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -4.751 -8.171 3.867 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.548 -6.558 1.884 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -3.376 -9.686 2.509 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.273 -8.882 1.511 1.00 0.00 H new ATOM 421 N PRO A 29 -3.431 -3.250 6.651 1.00 0.00 N ATOM 422 CA PRO A 29 -3.725 -1.938 7.233 1.00 0.00 C ATOM 423 C PRO A 29 -4.695 -1.129 6.378 1.00 0.00 C ATOM 424 O PRO A 29 -5.107 -1.569 5.305 1.00 0.00 O ATOM 425 CB PRO A 29 -2.356 -1.255 7.280 1.00 0.00 C ATOM 426 CG PRO A 29 -1.566 -1.917 6.204 1.00 0.00 C ATOM 427 CD PRO A 29 -2.048 -3.340 6.152 1.00 0.00 C ATOM 0 HA PRO A 29 -4.207 -2.023 8.207 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -2.442 -0.183 7.105 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -1.883 -1.382 8.254 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -1.717 -1.419 5.246 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -0.499 -1.874 6.421 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -2.012 -3.740 5.139 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -1.438 -3.994 6.775 1.00 0.00 H new ATOM 435 N ASP A 30 -5.055 0.055 6.860 1.00 0.00 N ATOM 436 CA ASP A 30 -5.976 0.926 6.139 1.00 0.00 C ATOM 437 C ASP A 30 -5.282 1.587 4.952 1.00 0.00 C ATOM 438 O ASP A 30 -5.833 1.651 3.853 1.00 0.00 O ATOM 439 CB ASP A 30 -6.539 1.996 7.076 1.00 0.00 C ATOM 440 CG ASP A 30 -5.485 2.991 7.519 1.00 0.00 C ATOM 441 OD1 ASP A 30 -4.339 2.566 7.777 1.00 0.00 O ATOM 442 OD2 ASP A 30 -5.806 4.194 7.608 1.00 0.00 O ATOM 0 H ASP A 30 -4.723 0.434 7.747 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.796 0.314 5.763 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.347 2.527 6.572 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.972 1.515 7.953 1.00 0.00 H new ATOM 447 N LYS A 31 -4.069 2.078 5.181 1.00 0.00 N ATOM 448 CA LYS A 31 -3.297 2.734 4.132 1.00 0.00 C ATOM 449 C LYS A 31 -1.813 2.756 4.481 1.00 0.00 C ATOM 450 O LYS A 31 -1.437 2.641 5.648 1.00 0.00 O ATOM 451 CB LYS A 31 -3.803 4.163 3.917 1.00 0.00 C ATOM 452 CG LYS A 31 -3.869 4.984 5.193 1.00 0.00 C ATOM 453 CD LYS A 31 -3.757 6.472 4.906 1.00 0.00 C ATOM 454 CE LYS A 31 -4.697 7.281 5.785 1.00 0.00 C ATOM 455 NZ LYS A 31 -4.227 7.338 7.196 1.00 0.00 N ATOM 0 H LYS A 31 -3.599 2.034 6.085 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.426 2.166 3.211 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.150 4.667 3.204 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -4.796 4.124 3.468 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.808 4.782 5.709 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -3.065 4.681 5.864 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.731 6.799 5.071 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.986 6.660 3.857 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.782 8.293 5.390 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.694 6.841 5.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.895 7.899 7.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.170 6.374 7.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.287 7.781 7.231 1.00 0.00 H new ATOM 469 N LEU A 32 -0.973 2.906 3.462 1.00 0.00 N ATOM 470 CA LEU A 32 0.472 2.944 3.661 1.00 0.00 C ATOM 471 C LEU A 32 0.989 4.379 3.622 1.00 0.00 C ATOM 472 O LEU A 32 1.046 5.000 2.561 1.00 0.00 O ATOM 473 CB LEU A 32 1.176 2.107 2.593 1.00 0.00 C ATOM 474 CG LEU A 32 2.649 1.787 2.853 1.00 0.00 C ATOM 475 CD1 LEU A 32 3.419 3.055 3.189 1.00 0.00 C ATOM 476 CD2 LEU A 32 2.783 0.767 3.974 1.00 0.00 C ATOM 0 H LEU A 32 -1.268 3.003 2.490 1.00 0.00 H new ATOM 0 HA LEU A 32 0.690 2.525 4.643 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.635 1.167 2.482 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.102 2.632 1.641 1.00 0.00 H new ATOM 0 HG LEU A 32 3.074 1.358 1.946 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.465 2.808 3.371 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.351 3.754 2.355 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.994 3.513 4.082 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.838 0.551 4.145 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.342 1.169 4.886 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.266 -0.151 3.695 1.00 0.00 H new ATOM 488 N ASN A 33 1.367 4.898 4.785 1.00 0.00 N ATOM 489 CA ASN A 33 1.881 6.260 4.883 1.00 0.00 C ATOM 490 C ASN A 33 3.406 6.271 4.823 1.00 0.00 C ATOM 491 O ASN A 33 4.078 5.796 5.739 1.00 0.00 O ATOM 492 CB ASN A 33 1.407 6.914 6.182 1.00 0.00 C ATOM 493 CG ASN A 33 -0.081 7.211 6.170 1.00 0.00 C ATOM 494 OD1 ASN A 33 -0.869 6.307 6.740 1.00 0.00 O flip ATOM 495 ND2 ASN A 33 -0.515 8.241 5.654 1.00 0.00 N flip ATOM 0 H ASN A 33 1.327 4.397 5.673 1.00 0.00 H new ATOM 0 HA ASN A 33 1.497 6.829 4.036 1.00 0.00 H new ATOM 0 HB2 ASN A 33 1.637 6.258 7.021 1.00 0.00 H new ATOM 0 HB3 ASN A 33 1.959 7.841 6.342 1.00 0.00 H new ATOM 0 HD21 ASN A 33 0.128 8.908 5.227 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -1.518 8.428 5.653 1.00 0.00 H new ATOM 502 N PHE A 34 3.946 6.817 3.738 1.00 0.00 N ATOM 503 CA PHE A 34 5.391 6.890 3.558 1.00 0.00 C ATOM 504 C PHE A 34 5.935 8.224 4.060 1.00 0.00 C ATOM 505 O PHE A 34 5.696 9.270 3.457 1.00 0.00 O ATOM 506 CB PHE A 34 5.752 6.701 2.083 1.00 0.00 C ATOM 507 CG PHE A 34 6.026 5.272 1.711 1.00 0.00 C ATOM 508 CD1 PHE A 34 7.261 4.700 1.967 1.00 0.00 C ATOM 509 CD2 PHE A 34 5.047 4.500 1.105 1.00 0.00 C ATOM 510 CE1 PHE A 34 7.516 3.386 1.624 1.00 0.00 C ATOM 511 CE2 PHE A 34 5.296 3.185 0.761 1.00 0.00 C ATOM 512 CZ PHE A 34 6.532 2.627 1.022 1.00 0.00 C ATOM 0 H PHE A 34 3.405 7.215 2.971 1.00 0.00 H new ATOM 0 HA PHE A 34 5.846 6.090 4.142 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.936 7.079 1.466 1.00 0.00 H new ATOM 0 HB3 PHE A 34 6.631 7.303 1.852 1.00 0.00 H new ATOM 0 HD1 PHE A 34 8.034 5.288 2.440 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.078 4.931 0.899 1.00 0.00 H new ATOM 0 HE1 PHE A 34 8.484 2.953 1.827 1.00 0.00 H new ATOM 0 HE2 PHE A 34 4.525 2.594 0.289 1.00 0.00 H new ATOM 0 HZ PHE A 34 6.729 1.599 0.756 1.00 0.00 H new ATOM 522 N SER A 35 6.667 8.178 5.168 1.00 0.00 N ATOM 523 CA SER A 35 7.241 9.383 5.755 1.00 0.00 C ATOM 524 C SER A 35 8.028 10.173 4.713 1.00 0.00 C ATOM 525 O SER A 35 8.137 9.762 3.557 1.00 0.00 O ATOM 526 CB SER A 35 8.152 9.020 6.930 1.00 0.00 C ATOM 527 OG SER A 35 7.418 8.397 7.970 1.00 0.00 O ATOM 0 H SER A 35 6.877 7.320 5.677 1.00 0.00 H new ATOM 0 HA SER A 35 6.423 10.006 6.117 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.943 8.352 6.588 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.636 9.919 7.310 1.00 0.00 H new ATOM 0 HG SER A 35 8.022 8.173 8.708 1.00 0.00 H new ATOM 533 N THR A 36 8.575 11.311 5.130 1.00 0.00 N ATOM 534 CA THR A 36 9.350 12.160 4.235 1.00 0.00 C ATOM 535 C THR A 36 10.440 11.362 3.528 1.00 0.00 C ATOM 536 O THR A 36 11.447 10.996 4.135 1.00 0.00 O ATOM 537 CB THR A 36 9.998 13.333 4.994 1.00 0.00 C ATOM 538 OG1 THR A 36 9.051 13.916 5.895 1.00 0.00 O ATOM 539 CG2 THR A 36 10.503 14.391 4.025 1.00 0.00 C ATOM 0 H THR A 36 8.495 11.666 6.083 1.00 0.00 H new ATOM 0 HA THR A 36 8.655 12.556 3.495 1.00 0.00 H new ATOM 0 HB THR A 36 10.846 12.947 5.560 1.00 0.00 H new ATOM 0 HG1 THR A 36 9.471 14.660 6.375 1.00 0.00 H new ATOM 0 HG21 THR A 36 10.957 15.210 4.584 1.00 0.00 H new ATOM 0 HG22 THR A 36 11.246 13.950 3.360 1.00 0.00 H new ATOM 0 HG23 THR A 36 9.669 14.772 3.436 1.00 0.00 H new ATOM 547 N CYS A 37 10.233 11.097 2.243 1.00 0.00 N ATOM 548 CA CYS A 37 11.200 10.342 1.453 1.00 0.00 C ATOM 549 C CYS A 37 11.788 11.207 0.343 1.00 0.00 C ATOM 550 O CYS A 37 11.188 12.187 -0.099 1.00 0.00 O ATOM 551 CB CYS A 37 10.540 9.100 0.852 1.00 0.00 C ATOM 552 SG CYS A 37 8.991 9.435 -0.019 1.00 0.00 S ATOM 0 H CYS A 37 9.405 11.393 1.726 1.00 0.00 H new ATOM 0 HA CYS A 37 12.009 10.031 2.114 1.00 0.00 H new ATOM 0 HB2 CYS A 37 11.239 8.629 0.160 1.00 0.00 H new ATOM 0 HB3 CYS A 37 10.348 8.382 1.649 1.00 0.00 H new ATOM 0 HG CYS A 37 8.511 8.324 -0.493 1.00 0.00 H new ATOM 558 N PRO A 38 12.992 10.838 -0.119 1.00 0.00 N ATOM 559 CA PRO A 38 13.690 11.568 -1.183 1.00 0.00 C ATOM 560 C PRO A 38 13.011 11.405 -2.538 1.00 0.00 C ATOM 561 O PRO A 38 12.622 10.301 -2.921 1.00 0.00 O ATOM 562 CB PRO A 38 15.079 10.926 -1.200 1.00 0.00 C ATOM 563 CG PRO A 38 14.872 9.558 -0.651 1.00 0.00 C ATOM 564 CD PRO A 38 13.766 9.680 0.360 1.00 0.00 C ATOM 0 HA PRO A 38 13.704 12.642 -1.000 1.00 0.00 H new ATOM 0 HB2 PRO A 38 15.486 10.889 -2.211 1.00 0.00 H new ATOM 0 HB3 PRO A 38 15.785 11.493 -0.593 1.00 0.00 H new ATOM 0 HG2 PRO A 38 14.603 8.857 -1.441 1.00 0.00 H new ATOM 0 HG3 PRO A 38 15.784 9.181 -0.188 1.00 0.00 H new ATOM 0 HD2 PRO A 38 13.156 8.777 0.399 1.00 0.00 H new ATOM 0 HD3 PRO A 38 14.156 9.845 1.364 1.00 0.00 H new ATOM 572 N VAL A 39 12.872 12.511 -3.262 1.00 0.00 N ATOM 573 CA VAL A 39 12.241 12.491 -4.576 1.00 0.00 C ATOM 574 C VAL A 39 13.021 11.611 -5.547 1.00 0.00 C ATOM 575 O VAL A 39 12.490 10.640 -6.086 1.00 0.00 O ATOM 576 CB VAL A 39 12.126 13.909 -5.166 1.00 0.00 C ATOM 577 CG1 VAL A 39 13.467 14.624 -5.103 1.00 0.00 C ATOM 578 CG2 VAL A 39 11.609 13.851 -6.595 1.00 0.00 C ATOM 0 H VAL A 39 13.188 13.433 -2.960 1.00 0.00 H new ATOM 0 HA VAL A 39 11.241 12.080 -4.440 1.00 0.00 H new ATOM 0 HB VAL A 39 11.412 14.476 -4.569 1.00 0.00 H new ATOM 0 HG11 VAL A 39 13.366 15.624 -5.524 1.00 0.00 H new ATOM 0 HG12 VAL A 39 13.791 14.698 -4.065 1.00 0.00 H new ATOM 0 HG13 VAL A 39 14.206 14.062 -5.675 1.00 0.00 H new ATOM 0 HG21 VAL A 39 11.534 14.862 -6.996 1.00 0.00 H new ATOM 0 HG22 VAL A 39 12.297 13.268 -7.207 1.00 0.00 H new ATOM 0 HG23 VAL A 39 10.625 13.382 -6.607 1.00 0.00 H new ATOM 588 N LYS A 40 14.285 11.957 -5.765 1.00 0.00 N ATOM 589 CA LYS A 40 15.141 11.199 -6.669 1.00 0.00 C ATOM 590 C LYS A 40 15.318 9.766 -6.177 1.00 0.00 C ATOM 591 O LYS A 40 14.871 8.818 -6.824 1.00 0.00 O ATOM 592 CB LYS A 40 16.508 11.876 -6.799 1.00 0.00 C ATOM 593 CG LYS A 40 16.594 12.852 -7.960 1.00 0.00 C ATOM 594 CD LYS A 40 15.877 14.155 -7.647 1.00 0.00 C ATOM 595 CE LYS A 40 16.348 15.282 -8.554 1.00 0.00 C ATOM 596 NZ LYS A 40 17.692 15.787 -8.158 1.00 0.00 N ATOM 0 H LYS A 40 14.740 12.758 -5.327 1.00 0.00 H new ATOM 0 HA LYS A 40 14.660 11.173 -7.647 1.00 0.00 H new ATOM 0 HB2 LYS A 40 16.732 12.405 -5.873 1.00 0.00 H new ATOM 0 HB3 LYS A 40 17.274 11.110 -6.921 1.00 0.00 H new ATOM 0 HG2 LYS A 40 17.640 13.057 -8.188 1.00 0.00 H new ATOM 0 HG3 LYS A 40 16.157 12.400 -8.850 1.00 0.00 H new ATOM 0 HD2 LYS A 40 14.802 14.017 -7.764 1.00 0.00 H new ATOM 0 HD3 LYS A 40 16.052 14.427 -6.606 1.00 0.00 H new ATOM 0 HE2 LYS A 40 16.382 14.929 -9.585 1.00 0.00 H new ATOM 0 HE3 LYS A 40 15.628 16.100 -8.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 17.905 16.658 -8.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 17.700 15.989 -7.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 18.411 15.067 -8.374 1.00 0.00 H new ATOM 610 N TYR A 41 15.970 9.615 -5.030 1.00 0.00 N ATOM 611 CA TYR A 41 16.206 8.297 -4.452 1.00 0.00 C ATOM 612 C TYR A 41 14.905 7.507 -4.349 1.00 0.00 C ATOM 613 O TYR A 41 13.821 8.083 -4.267 1.00 0.00 O ATOM 614 CB TYR A 41 16.846 8.430 -3.070 1.00 0.00 C ATOM 615 CG TYR A 41 18.283 8.899 -3.110 1.00 0.00 C ATOM 616 CD1 TYR A 41 19.321 8.001 -3.328 1.00 0.00 C ATOM 617 CD2 TYR A 41 18.604 10.238 -2.929 1.00 0.00 C ATOM 618 CE1 TYR A 41 20.636 8.424 -3.365 1.00 0.00 C ATOM 619 CE2 TYR A 41 19.915 10.671 -2.967 1.00 0.00 C ATOM 620 CZ TYR A 41 20.927 9.759 -3.184 1.00 0.00 C ATOM 621 OH TYR A 41 22.235 10.186 -3.221 1.00 0.00 O ATOM 0 H TYR A 41 16.345 10.389 -4.482 1.00 0.00 H new ATOM 0 HA TYR A 41 16.887 7.757 -5.109 1.00 0.00 H new ATOM 0 HB2 TYR A 41 16.261 9.130 -2.474 1.00 0.00 H new ATOM 0 HB3 TYR A 41 16.801 7.466 -2.564 1.00 0.00 H new ATOM 0 HD1 TYR A 41 19.096 6.954 -3.471 1.00 0.00 H new ATOM 0 HD2 TYR A 41 17.814 10.954 -2.755 1.00 0.00 H new ATOM 0 HE1 TYR A 41 21.431 7.713 -3.535 1.00 0.00 H new ATOM 0 HE2 TYR A 41 20.146 11.717 -2.828 1.00 0.00 H new ATOM 0 HH TYR A 41 22.267 11.155 -3.077 1.00 0.00 H new ATOM 631 N SER A 42 15.023 6.183 -4.352 1.00 0.00 N ATOM 632 CA SER A 42 13.857 5.312 -4.262 1.00 0.00 C ATOM 633 C SER A 42 13.534 4.985 -2.807 1.00 0.00 C ATOM 634 O SER A 42 14.404 5.042 -1.937 1.00 0.00 O ATOM 635 CB SER A 42 14.098 4.019 -5.045 1.00 0.00 C ATOM 636 OG SER A 42 15.215 3.313 -4.533 1.00 0.00 O ATOM 0 H SER A 42 15.914 5.690 -4.416 1.00 0.00 H new ATOM 0 HA SER A 42 13.007 5.839 -4.696 1.00 0.00 H new ATOM 0 HB2 SER A 42 13.211 3.388 -4.993 1.00 0.00 H new ATOM 0 HB3 SER A 42 14.262 4.253 -6.097 1.00 0.00 H new ATOM 0 HG SER A 42 14.912 2.660 -3.868 1.00 0.00 H new ATOM 642 N THR A 43 12.275 4.643 -2.550 1.00 0.00 N ATOM 643 CA THR A 43 11.835 4.308 -1.201 1.00 0.00 C ATOM 644 C THR A 43 11.359 2.862 -1.121 1.00 0.00 C ATOM 645 O THR A 43 10.716 2.360 -2.042 1.00 0.00 O ATOM 646 CB THR A 43 10.699 5.238 -0.734 1.00 0.00 C ATOM 647 OG1 THR A 43 11.141 6.600 -0.753 1.00 0.00 O ATOM 648 CG2 THR A 43 10.239 4.868 0.668 1.00 0.00 C ATOM 0 H THR A 43 11.543 4.591 -3.258 1.00 0.00 H new ATOM 0 HA THR A 43 12.696 4.440 -0.545 1.00 0.00 H new ATOM 0 HB THR A 43 9.859 5.120 -1.418 1.00 0.00 H new ATOM 0 HG1 THR A 43 10.432 7.169 -1.118 1.00 0.00 H new ATOM 0 HG21 THR A 43 9.437 5.538 0.976 1.00 0.00 H new ATOM 0 HG22 THR A 43 9.875 3.840 0.672 1.00 0.00 H new ATOM 0 HG23 THR A 43 11.075 4.960 1.361 1.00 0.00 H new ATOM 656 N GLN A 44 11.678 2.200 -0.014 1.00 0.00 N ATOM 657 CA GLN A 44 11.281 0.811 0.185 1.00 0.00 C ATOM 658 C GLN A 44 10.658 0.615 1.563 1.00 0.00 C ATOM 659 O GLN A 44 10.932 1.373 2.494 1.00 0.00 O ATOM 660 CB GLN A 44 12.489 -0.115 0.022 1.00 0.00 C ATOM 661 CG GLN A 44 13.138 -0.031 -1.350 1.00 0.00 C ATOM 662 CD GLN A 44 13.763 1.324 -1.618 1.00 0.00 C ATOM 663 OE1 GLN A 44 13.671 1.783 -2.860 1.00 0.00 O flip ATOM 664 NE2 GLN A 44 14.324 1.950 -0.718 1.00 0.00 N flip ATOM 0 H GLN A 44 12.210 2.602 0.758 1.00 0.00 H new ATOM 0 HA GLN A 44 10.535 0.561 -0.570 1.00 0.00 H new ATOM 0 HB2 GLN A 44 13.231 0.132 0.782 1.00 0.00 H new ATOM 0 HB3 GLN A 44 12.176 -1.143 0.204 1.00 0.00 H new ATOM 0 HG2 GLN A 44 13.903 -0.803 -1.434 1.00 0.00 H new ATOM 0 HG3 GLN A 44 12.390 -0.240 -2.115 1.00 0.00 H new ATOM 0 HE21 GLN A 44 14.371 1.559 0.223 1.00 0.00 H new ATOM 0 HE22 GLN A 44 14.742 2.860 -0.913 1.00 0.00 H new ATOM 673 N LYS A 45 9.818 -0.407 1.687 1.00 0.00 N ATOM 674 CA LYS A 45 9.156 -0.705 2.952 1.00 0.00 C ATOM 675 C LYS A 45 8.603 -2.127 2.955 1.00 0.00 C ATOM 676 O LYS A 45 8.334 -2.700 1.899 1.00 0.00 O ATOM 677 CB LYS A 45 8.025 0.294 3.206 1.00 0.00 C ATOM 678 CG LYS A 45 7.759 0.550 4.680 1.00 0.00 C ATOM 679 CD LYS A 45 6.728 1.648 4.878 1.00 0.00 C ATOM 680 CE LYS A 45 7.380 3.020 4.950 1.00 0.00 C ATOM 681 NZ LYS A 45 6.657 3.930 5.881 1.00 0.00 N ATOM 0 H LYS A 45 9.579 -1.043 0.926 1.00 0.00 H new ATOM 0 HA LYS A 45 9.894 -0.620 3.749 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.270 1.239 2.720 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.112 -0.077 2.740 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.409 -0.368 5.152 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.689 0.829 5.175 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.011 1.628 4.057 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.168 1.462 5.795 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.414 2.914 5.277 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.404 3.463 3.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.292 4.697 6.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.829 4.334 5.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.344 3.395 6.716 1.00 0.00 H new ATOM 695 N ILE A 46 8.436 -2.688 4.148 1.00 0.00 N ATOM 696 CA ILE A 46 7.912 -4.042 4.287 1.00 0.00 C ATOM 697 C ILE A 46 6.613 -4.049 5.085 1.00 0.00 C ATOM 698 O ILE A 46 6.377 -3.171 5.916 1.00 0.00 O ATOM 699 CB ILE A 46 8.930 -4.970 4.976 1.00 0.00 C ATOM 700 CG1 ILE A 46 10.230 -5.024 4.172 1.00 0.00 C ATOM 701 CG2 ILE A 46 8.345 -6.365 5.143 1.00 0.00 C ATOM 702 CD1 ILE A 46 11.312 -5.854 4.827 1.00 0.00 C ATOM 0 H ILE A 46 8.655 -2.227 5.031 1.00 0.00 H new ATOM 0 HA ILE A 46 7.719 -4.412 3.280 1.00 0.00 H new ATOM 0 HB ILE A 46 9.154 -4.570 5.965 1.00 0.00 H new ATOM 0 HG12 ILE A 46 10.019 -5.431 3.183 1.00 0.00 H new ATOM 0 HG13 ILE A 46 10.600 -4.009 4.026 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.076 -7.010 5.631 1.00 0.00 H new ATOM 0 HG22 ILE A 46 7.444 -6.311 5.753 1.00 0.00 H new ATOM 0 HG23 ILE A 46 8.096 -6.775 4.164 1.00 0.00 H new ATOM 0 HD11 ILE A 46 12.205 -5.847 4.201 1.00 0.00 H new ATOM 0 HD12 ILE A 46 11.551 -5.435 5.804 1.00 0.00 H new ATOM 0 HD13 ILE A 46 10.961 -6.879 4.948 1.00 0.00 H new ATOM 714 N LEU A 47 5.773 -5.046 4.828 1.00 0.00 N ATOM 715 CA LEU A 47 4.497 -5.170 5.523 1.00 0.00 C ATOM 716 C LEU A 47 4.249 -6.612 5.954 1.00 0.00 C ATOM 717 O LEU A 47 4.071 -7.499 5.119 1.00 0.00 O ATOM 718 CB LEU A 47 3.355 -4.691 4.625 1.00 0.00 C ATOM 719 CG LEU A 47 1.988 -5.326 4.880 1.00 0.00 C ATOM 720 CD1 LEU A 47 1.337 -4.714 6.111 1.00 0.00 C ATOM 721 CD2 LEU A 47 1.089 -5.166 3.663 1.00 0.00 C ATOM 0 H LEU A 47 5.953 -5.780 4.143 1.00 0.00 H new ATOM 0 HA LEU A 47 4.536 -4.545 6.415 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.258 -3.611 4.739 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.632 -4.878 3.588 1.00 0.00 H new ATOM 0 HG LEU A 47 2.132 -6.391 5.062 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.365 -5.178 6.277 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.973 -4.882 6.980 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.206 -3.643 5.959 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.120 -5.624 3.863 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.952 -4.106 3.449 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.550 -5.653 2.804 1.00 0.00 H new ATOM 733 N LEU A 48 4.238 -6.839 7.263 1.00 0.00 N ATOM 734 CA LEU A 48 4.010 -8.174 7.806 1.00 0.00 C ATOM 735 C LEU A 48 2.541 -8.566 7.687 1.00 0.00 C ATOM 736 O LEU A 48 1.664 -7.910 8.249 1.00 0.00 O ATOM 737 CB LEU A 48 4.447 -8.231 9.271 1.00 0.00 C ATOM 738 CG LEU A 48 4.775 -9.621 9.819 1.00 0.00 C ATOM 739 CD1 LEU A 48 3.518 -10.474 9.895 1.00 0.00 C ATOM 740 CD2 LEU A 48 5.831 -10.298 8.959 1.00 0.00 C ATOM 0 H LEU A 48 4.384 -6.116 7.968 1.00 0.00 H new ATOM 0 HA LEU A 48 4.604 -8.881 7.228 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.326 -7.598 9.392 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.655 -7.798 9.883 1.00 0.00 H new ATOM 0 HG LEU A 48 5.175 -9.509 10.827 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.770 -11.459 10.287 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.793 -9.996 10.554 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.089 -10.579 8.899 1.00 0.00 H new ATOM 0 HD21 LEU A 48 6.052 -11.286 9.364 1.00 0.00 H new ATOM 0 HD22 LEU A 48 5.460 -10.399 7.939 1.00 0.00 H new ATOM 0 HD23 LEU A 48 6.739 -9.696 8.957 1.00 0.00 H new ATOM 752 N VAL A 49 2.279 -9.642 6.952 1.00 0.00 N ATOM 753 CA VAL A 49 0.916 -10.125 6.761 1.00 0.00 C ATOM 754 C VAL A 49 0.702 -11.458 7.468 1.00 0.00 C ATOM 755 O VAL A 49 1.502 -12.383 7.328 1.00 0.00 O ATOM 756 CB VAL A 49 0.583 -10.290 5.266 1.00 0.00 C ATOM 757 CG1 VAL A 49 -0.890 -10.618 5.081 1.00 0.00 C ATOM 758 CG2 VAL A 49 0.959 -9.033 4.496 1.00 0.00 C ATOM 0 H VAL A 49 2.993 -10.196 6.479 1.00 0.00 H new ATOM 0 HA VAL A 49 0.251 -9.377 7.193 1.00 0.00 H new ATOM 0 HB VAL A 49 1.168 -11.120 4.870 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.107 -10.731 4.019 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.124 -11.548 5.600 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.497 -9.811 5.491 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.717 -9.166 3.442 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.402 -8.184 4.891 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.028 -8.847 4.603 1.00 0.00 H new ATOM 768 N ARG A 50 -0.385 -11.551 8.228 1.00 0.00 N ATOM 769 CA ARG A 50 -0.705 -12.772 8.958 1.00 0.00 C ATOM 770 C ARG A 50 -2.072 -13.310 8.544 1.00 0.00 C ATOM 771 O ARG A 50 -3.097 -12.669 8.772 1.00 0.00 O ATOM 772 CB ARG A 50 -0.683 -12.510 10.465 1.00 0.00 C ATOM 773 CG ARG A 50 -1.001 -13.739 11.301 1.00 0.00 C ATOM 774 CD ARG A 50 -1.462 -13.358 12.699 1.00 0.00 C ATOM 775 NE ARG A 50 -1.139 -14.389 13.682 1.00 0.00 N ATOM 776 CZ ARG A 50 -0.995 -14.147 14.980 1.00 0.00 C ATOM 777 NH1 ARG A 50 -1.145 -12.916 15.449 1.00 0.00 N ATOM 778 NH2 ARG A 50 -0.701 -15.137 15.813 1.00 0.00 N ATOM 0 H ARG A 50 -1.059 -10.795 8.354 1.00 0.00 H new ATOM 0 HA ARG A 50 0.050 -13.520 8.715 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.301 -12.135 10.746 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.402 -11.725 10.699 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.777 -14.325 10.808 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.117 -14.373 11.368 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.993 -12.418 12.992 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.539 -13.188 12.692 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.017 -15.347 13.354 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.372 -12.152 14.813 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.034 -12.733 16.446 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -0.585 -16.086 15.457 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.591 -14.949 16.810 1.00 0.00 H new ATOM 792 N ASN A 51 -2.077 -14.491 7.935 1.00 0.00 N ATOM 793 CA ASN A 51 -3.317 -15.115 7.489 1.00 0.00 C ATOM 794 C ASN A 51 -4.231 -15.416 8.673 1.00 0.00 C ATOM 795 O ASN A 51 -4.014 -16.380 9.408 1.00 0.00 O ATOM 796 CB ASN A 51 -3.016 -16.404 6.722 1.00 0.00 C ATOM 797 CG ASN A 51 -4.277 -17.119 6.274 1.00 0.00 C ATOM 798 OD1 ASN A 51 -5.306 -17.065 6.947 1.00 0.00 O ATOM 799 ND2 ASN A 51 -4.201 -17.792 5.132 1.00 0.00 N ATOM 0 H ASN A 51 -1.237 -15.035 7.739 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.828 -14.417 6.826 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -2.405 -16.170 5.850 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.429 -17.071 7.354 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -5.017 -18.292 4.779 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.326 -17.809 4.607 1.00 0.00 H new ATOM 806 N ILE A 52 -5.254 -14.587 8.849 1.00 0.00 N ATOM 807 CA ILE A 52 -6.202 -14.765 9.942 1.00 0.00 C ATOM 808 C ILE A 52 -7.434 -15.536 9.480 1.00 0.00 C ATOM 809 O ILE A 52 -8.443 -15.592 10.182 1.00 0.00 O ATOM 810 CB ILE A 52 -6.647 -13.412 10.528 1.00 0.00 C ATOM 811 CG1 ILE A 52 -7.241 -12.527 9.431 1.00 0.00 C ATOM 812 CG2 ILE A 52 -5.474 -12.715 11.201 1.00 0.00 C ATOM 813 CD1 ILE A 52 -7.834 -11.236 9.951 1.00 0.00 C ATOM 0 H ILE A 52 -5.448 -13.785 8.249 1.00 0.00 H new ATOM 0 HA ILE A 52 -5.688 -15.335 10.716 1.00 0.00 H new ATOM 0 HB ILE A 52 -7.416 -13.593 11.279 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -6.464 -12.293 8.703 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.014 -13.086 8.903 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.804 -11.760 11.610 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.091 -13.342 12.006 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.685 -12.543 10.469 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -8.236 -10.659 9.118 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -8.634 -11.461 10.656 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -7.060 -10.656 10.453 1.00 0.00 H new ATOM 825 N GLY A 53 -7.343 -16.131 8.295 1.00 0.00 N ATOM 826 CA GLY A 53 -8.457 -16.893 7.760 1.00 0.00 C ATOM 827 C GLY A 53 -8.490 -18.315 8.281 1.00 0.00 C ATOM 828 O GLY A 53 -7.710 -18.679 9.161 1.00 0.00 O ATOM 0 H GLY A 53 -6.518 -16.099 7.696 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.391 -16.394 8.017 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.393 -16.909 6.672 1.00 0.00 H new ATOM 832 N ASN A 54 -9.395 -19.122 7.738 1.00 0.00 N ATOM 833 CA ASN A 54 -9.528 -20.513 8.156 1.00 0.00 C ATOM 834 C ASN A 54 -8.716 -21.433 7.250 1.00 0.00 C ATOM 835 O ASN A 54 -7.936 -22.260 7.723 1.00 0.00 O ATOM 836 CB ASN A 54 -10.999 -20.934 8.141 1.00 0.00 C ATOM 837 CG ASN A 54 -11.897 -19.919 8.821 1.00 0.00 C ATOM 838 OD1 ASN A 54 -11.421 -18.951 9.415 1.00 0.00 O ATOM 839 ND2 ASN A 54 -13.205 -20.135 8.737 1.00 0.00 N ATOM 0 H ASN A 54 -10.047 -18.837 7.008 1.00 0.00 H new ATOM 0 HA ASN A 54 -9.143 -20.599 9.172 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -11.325 -21.070 7.110 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -11.103 -21.898 8.638 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -13.858 -19.485 9.175 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -13.556 -20.950 8.235 1.00 0.00 H new ATOM 846 N LYS A 55 -8.903 -21.284 5.943 1.00 0.00 N ATOM 847 CA LYS A 55 -8.187 -22.098 4.968 1.00 0.00 C ATOM 848 C LYS A 55 -7.140 -21.270 4.231 1.00 0.00 C ATOM 849 O LYS A 55 -7.011 -20.069 4.461 1.00 0.00 O ATOM 850 CB LYS A 55 -9.168 -22.709 3.965 1.00 0.00 C ATOM 851 CG LYS A 55 -9.794 -24.009 4.440 1.00 0.00 C ATOM 852 CD LYS A 55 -11.191 -24.196 3.873 1.00 0.00 C ATOM 853 CE LYS A 55 -11.149 -24.559 2.396 1.00 0.00 C ATOM 854 NZ LYS A 55 -12.447 -25.117 1.925 1.00 0.00 N ATOM 0 H LYS A 55 -9.546 -20.606 5.534 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.679 -22.899 5.504 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -9.960 -21.989 3.759 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.648 -22.889 3.024 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.164 -24.847 4.142 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -9.839 -24.016 5.529 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.708 -24.980 4.427 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -11.765 -23.279 4.007 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -10.901 -23.673 1.811 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -10.357 -25.287 2.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -12.378 -25.352 0.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -12.672 -25.977 2.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -13.199 -24.413 2.066 1.00 0.00 H new ATOM 868 N ASN A 56 -6.394 -21.921 3.344 1.00 0.00 N ATOM 869 CA ASN A 56 -5.358 -21.244 2.573 1.00 0.00 C ATOM 870 C ASN A 56 -5.920 -20.011 1.871 1.00 0.00 C ATOM 871 O ASN A 56 -7.031 -20.038 1.342 1.00 0.00 O ATOM 872 CB ASN A 56 -4.754 -22.200 1.542 1.00 0.00 C ATOM 873 CG ASN A 56 -5.586 -22.289 0.278 1.00 0.00 C ATOM 874 OD1 ASN A 56 -6.714 -22.782 0.297 1.00 0.00 O ATOM 875 ND2 ASN A 56 -5.032 -21.810 -0.830 1.00 0.00 N ATOM 0 H ASN A 56 -6.488 -22.916 3.142 1.00 0.00 H new ATOM 0 HA ASN A 56 -4.578 -20.923 3.263 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.747 -21.867 1.288 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.660 -23.193 1.982 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -5.544 -21.842 -1.711 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -4.094 -21.410 -0.800 1.00 0.00 H new ATOM 882 N ALA A 57 -5.145 -18.932 1.871 1.00 0.00 N ATOM 883 CA ALA A 57 -5.564 -17.691 1.233 1.00 0.00 C ATOM 884 C ALA A 57 -4.676 -17.361 0.037 1.00 0.00 C ATOM 885 O ALA A 57 -3.449 -17.373 0.140 1.00 0.00 O ATOM 886 CB ALA A 57 -5.544 -16.548 2.237 1.00 0.00 C ATOM 0 H ALA A 57 -4.223 -18.892 2.306 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.583 -17.825 0.871 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.859 -15.627 1.746 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.225 -16.773 3.058 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -4.534 -16.424 2.627 1.00 0.00 H new ATOM 892 N VAL A 58 -5.304 -17.069 -1.097 1.00 0.00 N ATOM 893 CA VAL A 58 -4.571 -16.736 -2.313 1.00 0.00 C ATOM 894 C VAL A 58 -4.874 -15.312 -2.765 1.00 0.00 C ATOM 895 O VAL A 58 -6.005 -14.992 -3.132 1.00 0.00 O ATOM 896 CB VAL A 58 -4.911 -17.709 -3.458 1.00 0.00 C ATOM 897 CG1 VAL A 58 -4.182 -17.310 -4.732 1.00 0.00 C ATOM 898 CG2 VAL A 58 -4.567 -19.137 -3.062 1.00 0.00 C ATOM 0 H VAL A 58 -6.319 -17.056 -1.199 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.510 -16.821 -2.076 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.983 -17.657 -3.650 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.434 -18.009 -5.530 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.482 -16.303 -5.023 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -3.106 -17.332 -4.558 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.813 -19.811 -3.882 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.502 -19.207 -2.842 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.139 -19.417 -2.178 1.00 0.00 H new ATOM 908 N PHE A 59 -3.855 -14.458 -2.735 1.00 0.00 N ATOM 909 CA PHE A 59 -4.012 -13.067 -3.141 1.00 0.00 C ATOM 910 C PHE A 59 -3.060 -12.723 -4.284 1.00 0.00 C ATOM 911 O PHE A 59 -1.966 -13.279 -4.384 1.00 0.00 O ATOM 912 CB PHE A 59 -3.759 -12.135 -1.954 1.00 0.00 C ATOM 913 CG PHE A 59 -2.420 -12.341 -1.305 1.00 0.00 C ATOM 914 CD1 PHE A 59 -2.198 -13.429 -0.476 1.00 0.00 C ATOM 915 CD2 PHE A 59 -1.385 -11.447 -1.523 1.00 0.00 C ATOM 916 CE1 PHE A 59 -0.967 -13.622 0.122 1.00 0.00 C ATOM 917 CE2 PHE A 59 -0.152 -11.635 -0.927 1.00 0.00 C ATOM 918 CZ PHE A 59 0.057 -12.723 -0.103 1.00 0.00 C ATOM 0 H PHE A 59 -2.913 -14.706 -2.434 1.00 0.00 H new ATOM 0 HA PHE A 59 -5.036 -12.930 -3.490 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.835 -11.101 -2.291 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.541 -12.286 -1.210 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -2.996 -14.134 -0.295 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.543 -10.594 -2.166 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.806 -14.475 0.765 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.647 -10.931 -1.106 1.00 0.00 H new ATOM 0 HZ PHE A 59 1.019 -12.871 0.365 1.00 0.00 H new ATOM 928 N HIS A 60 -3.485 -11.802 -5.143 1.00 0.00 N ATOM 929 CA HIS A 60 -2.672 -11.383 -6.279 1.00 0.00 C ATOM 930 C HIS A 60 -2.721 -9.869 -6.454 1.00 0.00 C ATOM 931 O HIS A 60 -3.696 -9.326 -6.975 1.00 0.00 O ATOM 932 CB HIS A 60 -3.150 -12.072 -7.558 1.00 0.00 C ATOM 933 CG HIS A 60 -2.341 -11.718 -8.767 1.00 0.00 C ATOM 934 ND1 HIS A 60 -2.278 -12.515 -9.890 1.00 0.00 N ATOM 935 CD2 HIS A 60 -1.561 -10.642 -9.027 1.00 0.00 C ATOM 936 CE1 HIS A 60 -1.492 -11.947 -10.787 1.00 0.00 C ATOM 937 NE2 HIS A 60 -1.044 -10.809 -10.288 1.00 0.00 N ATOM 0 H HIS A 60 -4.387 -11.332 -5.074 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.640 -11.675 -6.082 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -3.118 -13.152 -7.413 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -4.192 -11.805 -7.737 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -1.379 -9.808 -8.366 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -1.256 -12.345 -11.763 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -0.416 -10.160 -10.762 1.00 0.00 H new ATOM 946 N ILE A 61 -1.666 -9.192 -6.014 1.00 0.00 N ATOM 947 CA ILE A 61 -1.590 -7.740 -6.123 1.00 0.00 C ATOM 948 C ILE A 61 -0.868 -7.322 -7.399 1.00 0.00 C ATOM 949 O ILE A 61 0.021 -8.023 -7.881 1.00 0.00 O ATOM 950 CB ILE A 61 -0.868 -7.122 -4.911 1.00 0.00 C ATOM 951 CG1 ILE A 61 -1.527 -7.581 -3.608 1.00 0.00 C ATOM 952 CG2 ILE A 61 -0.874 -5.604 -5.009 1.00 0.00 C ATOM 953 CD1 ILE A 61 -0.599 -7.541 -2.415 1.00 0.00 C ATOM 0 H ILE A 61 -0.852 -9.625 -5.579 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.615 -7.371 -6.151 1.00 0.00 H new ATOM 0 HB ILE A 61 0.168 -7.462 -4.911 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.392 -6.950 -3.406 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.897 -8.598 -3.736 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.360 -5.182 -4.145 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.363 -5.296 -5.921 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.903 -5.245 -5.030 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.133 -7.879 -1.527 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.255 -8.194 -2.596 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.249 -6.520 -2.261 1.00 0.00 H new ATOM 965 N LYS A 62 -1.255 -6.172 -7.940 1.00 0.00 N ATOM 966 CA LYS A 62 -0.643 -5.655 -9.159 1.00 0.00 C ATOM 967 C LYS A 62 -0.723 -4.133 -9.206 1.00 0.00 C ATOM 968 O LYS A 62 -1.757 -3.545 -8.885 1.00 0.00 O ATOM 969 CB LYS A 62 -1.330 -6.251 -10.391 1.00 0.00 C ATOM 970 CG LYS A 62 -2.786 -5.842 -10.532 1.00 0.00 C ATOM 971 CD LYS A 62 -2.937 -4.606 -11.403 1.00 0.00 C ATOM 972 CE LYS A 62 -4.388 -4.160 -11.490 1.00 0.00 C ATOM 973 NZ LYS A 62 -4.531 -2.882 -12.242 1.00 0.00 N ATOM 0 H LYS A 62 -1.990 -5.580 -7.554 1.00 0.00 H new ATOM 0 HA LYS A 62 0.408 -5.945 -9.159 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.787 -5.943 -11.284 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.270 -7.338 -10.340 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -3.356 -6.665 -10.965 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.207 -5.647 -9.546 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.330 -3.797 -10.997 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.559 -4.816 -12.404 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -4.978 -4.936 -11.977 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.791 -4.037 -10.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.535 -2.612 -12.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.989 -2.135 -11.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.170 -3.006 -13.209 1.00 0.00 H new ATOM 987 N THR A 63 0.374 -3.499 -9.608 1.00 0.00 N ATOM 988 CA THR A 63 0.428 -2.045 -9.696 1.00 0.00 C ATOM 989 C THR A 63 1.446 -1.595 -10.738 1.00 0.00 C ATOM 990 O THR A 63 2.199 -2.408 -11.275 1.00 0.00 O ATOM 991 CB THR A 63 0.786 -1.412 -8.338 1.00 0.00 C ATOM 992 OG1 THR A 63 0.760 0.016 -8.441 1.00 0.00 O ATOM 993 CG2 THR A 63 2.161 -1.868 -7.875 1.00 0.00 C ATOM 0 H THR A 63 1.238 -3.970 -9.878 1.00 0.00 H new ATOM 0 HA THR A 63 -0.565 -1.710 -9.994 1.00 0.00 H new ATOM 0 HB THR A 63 0.047 -1.736 -7.605 1.00 0.00 H new ATOM 0 HG1 THR A 63 -0.100 0.301 -8.814 1.00 0.00 H new ATOM 0 HG21 THR A 63 2.392 -1.408 -6.914 1.00 0.00 H new ATOM 0 HG22 THR A 63 2.168 -2.953 -7.769 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.909 -1.570 -8.609 1.00 0.00 H new ATOM 1001 N CYS A 64 1.464 -0.297 -11.018 1.00 0.00 N ATOM 1002 CA CYS A 64 2.391 0.262 -11.996 1.00 0.00 C ATOM 1003 C CYS A 64 3.237 1.367 -11.374 1.00 0.00 C ATOM 1004 O CYS A 64 2.794 2.061 -10.458 1.00 0.00 O ATOM 1005 CB CYS A 64 1.624 0.807 -13.202 1.00 0.00 C ATOM 1006 SG CYS A 64 0.583 -0.418 -14.030 1.00 0.00 S ATOM 0 H CYS A 64 0.847 0.388 -10.582 1.00 0.00 H new ATOM 0 HA CYS A 64 3.056 -0.536 -12.327 1.00 0.00 H new ATOM 0 HB2 CYS A 64 0.999 1.638 -12.876 1.00 0.00 H new ATOM 0 HB3 CYS A 64 2.338 1.208 -13.922 1.00 0.00 H new ATOM 0 HG CYS A 64 -0.026 0.138 -15.035 1.00 0.00 H new ATOM 1012 N ARG A 65 4.457 1.525 -11.876 1.00 0.00 N ATOM 1013 CA ARG A 65 5.367 2.544 -11.368 1.00 0.00 C ATOM 1014 C ARG A 65 4.694 3.914 -11.351 1.00 0.00 C ATOM 1015 O ARG A 65 3.683 4.144 -12.014 1.00 0.00 O ATOM 1016 CB ARG A 65 6.635 2.598 -12.221 1.00 0.00 C ATOM 1017 CG ARG A 65 7.728 1.654 -11.748 1.00 0.00 C ATOM 1018 CD ARG A 65 7.711 0.347 -12.526 1.00 0.00 C ATOM 1019 NE ARG A 65 8.749 -0.575 -12.071 1.00 0.00 N ATOM 1020 CZ ARG A 65 9.707 -1.049 -12.858 1.00 0.00 C ATOM 1021 NH1 ARG A 65 9.760 -0.690 -14.134 1.00 0.00 N ATOM 1022 NH2 ARG A 65 10.616 -1.884 -12.371 1.00 0.00 N ATOM 0 H ARG A 65 4.838 0.960 -12.635 1.00 0.00 H new ATOM 0 HA ARG A 65 5.636 2.277 -10.346 1.00 0.00 H new ATOM 0 HB2 ARG A 65 6.379 2.356 -13.253 1.00 0.00 H new ATOM 0 HB3 ARG A 65 7.021 3.617 -12.219 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.700 2.134 -11.863 1.00 0.00 H new ATOM 0 HG3 ARG A 65 7.598 1.448 -10.686 1.00 0.00 H new ATOM 0 HD2 ARG A 65 6.735 -0.125 -12.419 1.00 0.00 H new ATOM 0 HD3 ARG A 65 7.851 0.555 -13.587 1.00 0.00 H new ATOM 0 HE ARG A 65 8.737 -0.871 -11.095 1.00 0.00 H new ATOM 0 HH11 ARG A 65 9.063 -0.048 -14.513 1.00 0.00 H new ATOM 0 HH12 ARG A 65 10.497 -1.056 -14.736 1.00 0.00 H new ATOM 0 HH21 ARG A 65 10.579 -2.163 -11.390 1.00 0.00 H new ATOM 0 HH22 ARG A 65 11.351 -2.247 -12.977 1.00 0.00 H new ATOM 1036 N PRO A 66 5.267 4.846 -10.575 1.00 0.00 N ATOM 1037 CA PRO A 66 6.471 4.583 -9.781 1.00 0.00 C ATOM 1038 C PRO A 66 6.202 3.637 -8.615 1.00 0.00 C ATOM 1039 O PRO A 66 7.090 3.362 -7.809 1.00 0.00 O ATOM 1040 CB PRO A 66 6.865 5.969 -9.265 1.00 0.00 C ATOM 1041 CG PRO A 66 5.593 6.746 -9.256 1.00 0.00 C ATOM 1042 CD PRO A 66 4.784 6.227 -10.413 1.00 0.00 C ATOM 0 HA PRO A 66 7.248 4.095 -10.369 1.00 0.00 H new ATOM 0 HB2 PRO A 66 7.300 5.911 -8.267 1.00 0.00 H new ATOM 0 HB3 PRO A 66 7.609 6.435 -9.911 1.00 0.00 H new ATOM 0 HG2 PRO A 66 5.060 6.611 -8.315 1.00 0.00 H new ATOM 0 HG3 PRO A 66 5.787 7.813 -9.363 1.00 0.00 H new ATOM 0 HD2 PRO A 66 3.715 6.257 -10.201 1.00 0.00 H new ATOM 0 HD3 PRO A 66 4.947 6.818 -11.314 1.00 0.00 H new ATOM 1050 N PHE A 67 4.971 3.143 -8.533 1.00 0.00 N ATOM 1051 CA PHE A 67 4.585 2.227 -7.465 1.00 0.00 C ATOM 1052 C PHE A 67 4.714 0.776 -7.919 1.00 0.00 C ATOM 1053 O PHE A 67 4.134 0.377 -8.929 1.00 0.00 O ATOM 1054 CB PHE A 67 3.149 2.508 -7.019 1.00 0.00 C ATOM 1055 CG PHE A 67 3.050 3.536 -5.929 1.00 0.00 C ATOM 1056 CD1 PHE A 67 3.486 3.249 -4.645 1.00 0.00 C ATOM 1057 CD2 PHE A 67 2.520 4.790 -6.187 1.00 0.00 C ATOM 1058 CE1 PHE A 67 3.397 4.193 -3.640 1.00 0.00 C ATOM 1059 CE2 PHE A 67 2.428 5.738 -5.185 1.00 0.00 C ATOM 1060 CZ PHE A 67 2.866 5.439 -3.910 1.00 0.00 C ATOM 0 H PHE A 67 4.224 3.361 -9.192 1.00 0.00 H new ATOM 0 HA PHE A 67 5.258 2.386 -6.623 1.00 0.00 H new ATOM 0 HB2 PHE A 67 2.569 2.845 -7.879 1.00 0.00 H new ATOM 0 HB3 PHE A 67 2.696 1.579 -6.673 1.00 0.00 H new ATOM 0 HD1 PHE A 67 3.900 2.276 -4.427 1.00 0.00 H new ATOM 0 HD2 PHE A 67 2.175 5.029 -7.182 1.00 0.00 H new ATOM 0 HE1 PHE A 67 3.742 3.957 -2.644 1.00 0.00 H new ATOM 0 HE2 PHE A 67 2.014 6.712 -5.399 1.00 0.00 H new ATOM 0 HZ PHE A 67 2.793 6.178 -3.126 1.00 0.00 H new ATOM 1070 N SER A 68 5.480 -0.007 -7.166 1.00 0.00 N ATOM 1071 CA SER A 68 5.689 -1.413 -7.493 1.00 0.00 C ATOM 1072 C SER A 68 6.081 -2.207 -6.250 1.00 0.00 C ATOM 1073 O SER A 68 6.958 -1.796 -5.489 1.00 0.00 O ATOM 1074 CB SER A 68 6.773 -1.553 -8.564 1.00 0.00 C ATOM 1075 OG SER A 68 6.503 -0.716 -9.675 1.00 0.00 O ATOM 0 H SER A 68 5.966 0.308 -6.326 1.00 0.00 H new ATOM 0 HA SER A 68 4.752 -1.814 -7.879 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.744 -1.297 -8.139 1.00 0.00 H new ATOM 0 HB3 SER A 68 6.832 -2.591 -8.892 1.00 0.00 H new ATOM 0 HG SER A 68 6.723 -1.191 -10.504 1.00 0.00 H new ATOM 1081 N ILE A 69 5.424 -3.344 -6.052 1.00 0.00 N ATOM 1082 CA ILE A 69 5.703 -4.197 -4.902 1.00 0.00 C ATOM 1083 C ILE A 69 5.921 -5.643 -5.331 1.00 0.00 C ATOM 1084 O ILE A 69 5.574 -6.029 -6.447 1.00 0.00 O ATOM 1085 CB ILE A 69 4.559 -4.145 -3.872 1.00 0.00 C ATOM 1086 CG1 ILE A 69 3.572 -5.289 -4.116 1.00 0.00 C ATOM 1087 CG2 ILE A 69 3.848 -2.802 -3.937 1.00 0.00 C ATOM 1088 CD1 ILE A 69 2.861 -5.199 -5.448 1.00 0.00 C ATOM 0 H ILE A 69 4.695 -3.697 -6.672 1.00 0.00 H new ATOM 0 HA ILE A 69 6.614 -3.817 -4.440 1.00 0.00 H new ATOM 0 HB ILE A 69 4.982 -4.262 -2.874 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.107 -6.237 -4.062 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.831 -5.295 -3.317 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.042 -2.781 -3.203 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.558 -2.004 -3.720 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.434 -2.658 -4.935 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.178 -6.042 -5.553 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.298 -4.267 -5.498 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.594 -5.224 -6.254 1.00 0.00 H new ATOM 1100 N GLU A 70 6.498 -6.440 -4.436 1.00 0.00 N ATOM 1101 CA GLU A 70 6.761 -7.845 -4.723 1.00 0.00 C ATOM 1102 C GLU A 70 6.918 -8.643 -3.432 1.00 0.00 C ATOM 1103 O GLU A 70 7.334 -8.123 -2.397 1.00 0.00 O ATOM 1104 CB GLU A 70 8.021 -7.987 -5.579 1.00 0.00 C ATOM 1105 CG GLU A 70 9.302 -7.641 -4.838 1.00 0.00 C ATOM 1106 CD GLU A 70 9.626 -6.160 -4.892 1.00 0.00 C ATOM 1107 OE1 GLU A 70 8.710 -5.364 -5.189 1.00 0.00 O ATOM 1108 OE2 GLU A 70 10.793 -5.798 -4.639 1.00 0.00 O ATOM 0 H GLU A 70 6.792 -6.137 -3.508 1.00 0.00 H new ATOM 0 HA GLU A 70 5.909 -8.242 -5.275 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.088 -9.012 -5.945 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.931 -7.342 -6.453 1.00 0.00 H new ATOM 0 HG2 GLU A 70 9.210 -7.951 -3.797 1.00 0.00 H new ATOM 0 HG3 GLU A 70 10.129 -8.206 -5.267 1.00 0.00 H new ATOM 1115 N PRO A 71 6.575 -9.939 -3.492 1.00 0.00 N ATOM 1116 CA PRO A 71 6.077 -10.569 -4.718 1.00 0.00 C ATOM 1117 C PRO A 71 4.683 -10.082 -5.096 1.00 0.00 C ATOM 1118 O PRO A 71 3.794 -9.995 -4.248 1.00 0.00 O ATOM 1119 CB PRO A 71 6.045 -12.058 -4.364 1.00 0.00 C ATOM 1120 CG PRO A 71 5.906 -12.092 -2.881 1.00 0.00 C ATOM 1121 CD PRO A 71 6.647 -10.887 -2.368 1.00 0.00 C ATOM 0 HA PRO A 71 6.703 -10.334 -5.579 1.00 0.00 H new ATOM 0 HB2 PRO A 71 5.211 -12.563 -4.851 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.956 -12.562 -4.688 1.00 0.00 H new ATOM 0 HG2 PRO A 71 4.857 -12.060 -2.586 1.00 0.00 H new ATOM 0 HG3 PRO A 71 6.324 -13.011 -2.471 1.00 0.00 H new ATOM 0 HD2 PRO A 71 6.182 -10.481 -1.470 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.678 -11.129 -2.111 1.00 0.00 H new ATOM 1129 N ALA A 72 4.497 -9.765 -6.373 1.00 0.00 N ATOM 1130 CA ALA A 72 3.210 -9.288 -6.863 1.00 0.00 C ATOM 1131 C ALA A 72 2.089 -10.251 -6.487 1.00 0.00 C ATOM 1132 O ALA A 72 0.937 -9.846 -6.328 1.00 0.00 O ATOM 1133 CB ALA A 72 3.258 -9.095 -8.371 1.00 0.00 C ATOM 0 H ALA A 72 5.222 -9.830 -7.087 1.00 0.00 H new ATOM 0 HA ALA A 72 3.003 -8.328 -6.391 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.290 -8.739 -8.723 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.027 -8.363 -8.620 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.492 -10.045 -8.852 1.00 0.00 H new ATOM 1139 N ILE A 73 2.433 -11.527 -6.347 1.00 0.00 N ATOM 1140 CA ILE A 73 1.455 -12.547 -5.989 1.00 0.00 C ATOM 1141 C ILE A 73 2.083 -13.628 -5.116 1.00 0.00 C ATOM 1142 O ILE A 73 3.273 -13.918 -5.228 1.00 0.00 O ATOM 1143 CB ILE A 73 0.843 -13.204 -7.240 1.00 0.00 C ATOM 1144 CG1 ILE A 73 -0.088 -14.349 -6.838 1.00 0.00 C ATOM 1145 CG2 ILE A 73 1.942 -13.708 -8.164 1.00 0.00 C ATOM 1146 CD1 ILE A 73 -0.851 -14.944 -8.000 1.00 0.00 C ATOM 0 H ILE A 73 3.382 -11.879 -6.476 1.00 0.00 H new ATOM 0 HA ILE A 73 0.666 -12.045 -5.430 1.00 0.00 H new ATOM 0 HB ILE A 73 0.258 -12.456 -7.776 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.499 -15.133 -6.360 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.798 -13.985 -6.096 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.494 -14.170 -9.044 1.00 0.00 H new ATOM 0 HG22 ILE A 73 2.570 -12.872 -8.473 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.551 -14.444 -7.638 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.491 -15.750 -7.641 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.465 -14.173 -8.465 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.148 -15.339 -8.733 1.00 0.00 H new ATOM 1158 N GLY A 74 1.272 -14.224 -4.246 1.00 0.00 N ATOM 1159 CA GLY A 74 1.765 -15.268 -3.367 1.00 0.00 C ATOM 1160 C GLY A 74 0.666 -15.885 -2.526 1.00 0.00 C ATOM 1161 O GLY A 74 -0.424 -15.325 -2.406 1.00 0.00 O ATOM 0 H GLY A 74 0.283 -14.002 -4.135 1.00 0.00 H new ATOM 0 HA2 GLY A 74 2.242 -16.046 -3.964 1.00 0.00 H new ATOM 0 HA3 GLY A 74 2.531 -14.855 -2.711 1.00 0.00 H new ATOM 1165 N THR A 75 0.950 -17.045 -1.941 1.00 0.00 N ATOM 1166 CA THR A 75 -0.023 -17.740 -1.109 1.00 0.00 C ATOM 1167 C THR A 75 0.451 -17.825 0.338 1.00 0.00 C ATOM 1168 O THR A 75 1.606 -18.158 0.604 1.00 0.00 O ATOM 1169 CB THR A 75 -0.296 -19.163 -1.632 1.00 0.00 C ATOM 1170 OG1 THR A 75 0.939 -19.866 -1.806 1.00 0.00 O ATOM 1171 CG2 THR A 75 -1.050 -19.118 -2.953 1.00 0.00 C ATOM 0 H THR A 75 1.847 -17.523 -2.029 1.00 0.00 H new ATOM 0 HA THR A 75 -0.946 -17.162 -1.153 1.00 0.00 H new ATOM 0 HB THR A 75 -0.910 -19.685 -0.898 1.00 0.00 H new ATOM 0 HG1 THR A 75 1.572 -19.592 -1.110 1.00 0.00 H new ATOM 0 HG21 THR A 75 -1.232 -20.134 -3.303 1.00 0.00 H new ATOM 0 HG22 THR A 75 -2.003 -18.607 -2.811 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.457 -18.580 -3.692 1.00 0.00 H new ATOM 1179 N LEU A 76 -0.448 -17.523 1.268 1.00 0.00 N ATOM 1180 CA LEU A 76 -0.121 -17.566 2.689 1.00 0.00 C ATOM 1181 C LEU A 76 -1.050 -18.521 3.433 1.00 0.00 C ATOM 1182 O LEU A 76 -2.238 -18.612 3.125 1.00 0.00 O ATOM 1183 CB LEU A 76 -0.217 -16.166 3.298 1.00 0.00 C ATOM 1184 CG LEU A 76 0.276 -16.025 4.738 1.00 0.00 C ATOM 1185 CD1 LEU A 76 1.772 -16.289 4.818 1.00 0.00 C ATOM 1186 CD2 LEU A 76 -0.053 -14.642 5.282 1.00 0.00 C ATOM 0 H LEU A 76 -1.408 -17.246 1.064 1.00 0.00 H new ATOM 0 HA LEU A 76 0.901 -17.930 2.790 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.352 -15.479 2.671 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.258 -15.845 3.259 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.237 -16.766 5.351 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.105 -16.184 5.850 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.982 -17.300 4.470 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.302 -15.572 4.191 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.305 -14.560 6.308 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.432 -13.884 4.667 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.132 -14.490 5.261 1.00 0.00 H new ATOM 1198 N ASN A 77 -0.501 -19.230 4.414 1.00 0.00 N ATOM 1199 CA ASN A 77 -1.281 -20.176 5.203 1.00 0.00 C ATOM 1200 C ASN A 77 -1.669 -19.573 6.549 1.00 0.00 C ATOM 1201 O ASN A 77 -0.982 -18.693 7.068 1.00 0.00 O ATOM 1202 CB ASN A 77 -0.488 -21.467 5.419 1.00 0.00 C ATOM 1203 CG ASN A 77 -0.003 -22.073 4.117 1.00 0.00 C ATOM 1204 OD1 ASN A 77 -0.677 -21.985 3.090 1.00 0.00 O ATOM 1205 ND2 ASN A 77 1.171 -22.693 4.153 1.00 0.00 N ATOM 0 H ASN A 77 0.481 -19.167 4.681 1.00 0.00 H new ATOM 0 HA ASN A 77 -2.193 -20.405 4.652 1.00 0.00 H new ATOM 0 HB2 ASN A 77 0.368 -21.261 6.062 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -1.113 -22.191 5.943 1.00 0.00 H new ATOM 0 HD21 ASN A 77 1.548 -23.120 3.307 1.00 0.00 H new ATOM 0 HD22 ASN A 77 1.695 -22.742 5.026 1.00 0.00 H new ATOM 1212 N VAL A 78 -2.775 -20.052 7.109 1.00 0.00 N ATOM 1213 CA VAL A 78 -3.255 -19.561 8.396 1.00 0.00 C ATOM 1214 C VAL A 78 -2.207 -19.762 9.485 1.00 0.00 C ATOM 1215 O VAL A 78 -1.386 -20.674 9.411 1.00 0.00 O ATOM 1216 CB VAL A 78 -4.558 -20.267 8.815 1.00 0.00 C ATOM 1217 CG1 VAL A 78 -5.548 -20.291 7.661 1.00 0.00 C ATOM 1218 CG2 VAL A 78 -4.265 -21.677 9.307 1.00 0.00 C ATOM 0 H VAL A 78 -3.356 -20.780 6.692 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.451 -18.495 8.276 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.007 -19.706 9.635 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.462 -20.794 7.976 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.781 -19.270 7.360 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.111 -20.827 6.818 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.197 -22.161 9.599 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.793 -22.250 8.509 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.595 -21.631 10.166 1.00 0.00 H new ATOM 1228 N GLY A 79 -2.244 -18.902 10.499 1.00 0.00 N ATOM 1229 CA GLY A 79 -1.293 -19.002 11.590 1.00 0.00 C ATOM 1230 C GLY A 79 0.060 -18.417 11.236 1.00 0.00 C ATOM 1231 O GLY A 79 0.685 -17.742 12.054 1.00 0.00 O ATOM 0 H GLY A 79 -2.915 -18.139 10.584 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -1.691 -18.486 12.463 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -1.171 -20.049 11.867 1.00 0.00 H new ATOM 1235 N GLU A 80 0.515 -18.678 10.014 1.00 0.00 N ATOM 1236 CA GLU A 80 1.804 -18.175 9.556 1.00 0.00 C ATOM 1237 C GLU A 80 1.675 -16.747 9.032 1.00 0.00 C ATOM 1238 O GLU A 80 0.572 -16.212 8.922 1.00 0.00 O ATOM 1239 CB GLU A 80 2.371 -19.082 8.461 1.00 0.00 C ATOM 1240 CG GLU A 80 2.757 -20.465 8.957 1.00 0.00 C ATOM 1241 CD GLU A 80 4.012 -20.451 9.807 1.00 0.00 C ATOM 1242 OE1 GLU A 80 4.060 -19.673 10.783 1.00 0.00 O ATOM 1243 OE2 GLU A 80 4.947 -21.219 9.497 1.00 0.00 O ATOM 0 H GLU A 80 0.010 -19.235 9.324 1.00 0.00 H new ATOM 0 HA GLU A 80 2.487 -18.172 10.405 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.632 -19.183 7.666 1.00 0.00 H new ATOM 0 HB3 GLU A 80 3.247 -18.604 8.023 1.00 0.00 H new ATOM 0 HG2 GLU A 80 1.934 -20.881 9.538 1.00 0.00 H new ATOM 0 HG3 GLU A 80 2.909 -21.124 8.102 1.00 0.00 H new ATOM 1250 N SER A 81 2.811 -16.136 8.712 1.00 0.00 N ATOM 1251 CA SER A 81 2.827 -14.769 8.204 1.00 0.00 C ATOM 1252 C SER A 81 3.902 -14.599 7.135 1.00 0.00 C ATOM 1253 O SER A 81 4.646 -15.532 6.834 1.00 0.00 O ATOM 1254 CB SER A 81 3.068 -13.781 9.347 1.00 0.00 C ATOM 1255 OG SER A 81 2.199 -14.039 10.437 1.00 0.00 O ATOM 0 H SER A 81 3.732 -16.566 8.795 1.00 0.00 H new ATOM 0 HA SER A 81 1.856 -14.564 7.754 1.00 0.00 H new ATOM 0 HB2 SER A 81 4.104 -13.850 9.679 1.00 0.00 H new ATOM 0 HB3 SER A 81 2.916 -12.763 8.990 1.00 0.00 H new ATOM 0 HG SER A 81 2.374 -13.395 11.155 1.00 0.00 H new ATOM 1261 N MET A 82 3.976 -13.401 6.564 1.00 0.00 N ATOM 1262 CA MET A 82 4.960 -13.107 5.529 1.00 0.00 C ATOM 1263 C MET A 82 5.274 -11.615 5.485 1.00 0.00 C ATOM 1264 O MET A 82 4.637 -10.818 6.173 1.00 0.00 O ATOM 1265 CB MET A 82 4.450 -13.574 4.164 1.00 0.00 C ATOM 1266 CG MET A 82 3.240 -12.797 3.669 1.00 0.00 C ATOM 1267 SD MET A 82 2.256 -13.729 2.480 1.00 0.00 S ATOM 1268 CE MET A 82 3.364 -13.760 1.074 1.00 0.00 C ATOM 0 H MET A 82 3.366 -12.618 6.801 1.00 0.00 H new ATOM 0 HA MET A 82 5.877 -13.645 5.770 1.00 0.00 H new ATOM 0 HB2 MET A 82 5.254 -13.482 3.434 1.00 0.00 H new ATOM 0 HB3 MET A 82 4.193 -14.632 4.224 1.00 0.00 H new ATOM 0 HG2 MET A 82 2.614 -12.526 4.519 1.00 0.00 H new ATOM 0 HG3 MET A 82 3.574 -11.867 3.209 1.00 0.00 H new ATOM 0 HE1 MET A 82 2.869 -14.241 0.231 1.00 0.00 H new ATOM 0 HE2 MET A 82 3.635 -12.740 0.802 1.00 0.00 H new ATOM 0 HE3 MET A 82 4.264 -14.318 1.332 1.00 0.00 H new ATOM 1278 N GLN A 83 6.258 -11.246 4.672 1.00 0.00 N ATOM 1279 CA GLN A 83 6.656 -9.849 4.540 1.00 0.00 C ATOM 1280 C GLN A 83 6.561 -9.391 3.088 1.00 0.00 C ATOM 1281 O GLN A 83 7.202 -9.959 2.203 1.00 0.00 O ATOM 1282 CB GLN A 83 8.082 -9.652 5.057 1.00 0.00 C ATOM 1283 CG GLN A 83 8.172 -9.552 6.571 1.00 0.00 C ATOM 1284 CD GLN A 83 9.595 -9.676 7.081 1.00 0.00 C ATOM 1285 OE1 GLN A 83 10.212 -8.542 7.394 1.00 0.00 O flip ATOM 1286 NE2 GLN A 83 10.133 -10.777 7.191 1.00 0.00 N flip ATOM 0 H GLN A 83 6.794 -11.894 4.095 1.00 0.00 H new ATOM 0 HA GLN A 83 5.974 -9.245 5.138 1.00 0.00 H new ATOM 0 HB2 GLN A 83 8.700 -10.484 4.719 1.00 0.00 H new ATOM 0 HB3 GLN A 83 8.497 -8.746 4.616 1.00 0.00 H new ATOM 0 HG2 GLN A 83 7.756 -8.597 6.894 1.00 0.00 H new ATOM 0 HG3 GLN A 83 7.560 -10.334 7.020 1.00 0.00 H new ATOM 0 HE21 GLN A 83 9.621 -11.622 6.939 1.00 0.00 H new ATOM 0 HE22 GLN A 83 11.091 -10.844 7.535 1.00 0.00 H new ATOM 1295 N LEU A 84 5.757 -8.361 2.850 1.00 0.00 N ATOM 1296 CA LEU A 84 5.577 -7.826 1.505 1.00 0.00 C ATOM 1297 C LEU A 84 6.359 -6.528 1.326 1.00 0.00 C ATOM 1298 O LEU A 84 6.130 -5.552 2.040 1.00 0.00 O ATOM 1299 CB LEU A 84 4.093 -7.583 1.225 1.00 0.00 C ATOM 1300 CG LEU A 84 3.199 -8.823 1.224 1.00 0.00 C ATOM 1301 CD1 LEU A 84 1.735 -8.426 1.120 1.00 0.00 C ATOM 1302 CD2 LEU A 84 3.583 -9.757 0.085 1.00 0.00 C ATOM 0 H LEU A 84 5.219 -7.880 3.571 1.00 0.00 H new ATOM 0 HA LEU A 84 5.959 -8.560 0.795 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.712 -6.886 1.971 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.002 -7.093 0.255 1.00 0.00 H new ATOM 0 HG LEU A 84 3.344 -9.352 2.166 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.114 -9.322 1.121 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.467 -7.798 1.970 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.573 -7.873 0.195 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.936 -10.634 0.100 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.468 -9.237 -0.866 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.620 -10.069 0.205 1.00 0.00 H new ATOM 1314 N GLU A 85 7.280 -6.525 0.368 1.00 0.00 N ATOM 1315 CA GLU A 85 8.094 -5.346 0.095 1.00 0.00 C ATOM 1316 C GLU A 85 7.402 -4.428 -0.908 1.00 0.00 C ATOM 1317 O GLU A 85 6.845 -4.886 -1.906 1.00 0.00 O ATOM 1318 CB GLU A 85 9.467 -5.759 -0.439 1.00 0.00 C ATOM 1319 CG GLU A 85 10.489 -6.026 0.654 1.00 0.00 C ATOM 1320 CD GLU A 85 11.616 -6.929 0.190 1.00 0.00 C ATOM 1321 OE1 GLU A 85 11.332 -8.088 -0.180 1.00 0.00 O ATOM 1322 OE2 GLU A 85 12.780 -6.478 0.199 1.00 0.00 O ATOM 0 H GLU A 85 7.481 -7.325 -0.232 1.00 0.00 H new ATOM 0 HA GLU A 85 8.225 -4.802 1.030 1.00 0.00 H new ATOM 0 HB2 GLU A 85 9.356 -6.656 -1.048 1.00 0.00 H new ATOM 0 HB3 GLU A 85 9.844 -4.974 -1.094 1.00 0.00 H new ATOM 0 HG2 GLU A 85 10.905 -5.079 0.997 1.00 0.00 H new ATOM 0 HG3 GLU A 85 9.990 -6.483 1.509 1.00 0.00 H new ATOM 1329 N VAL A 86 7.441 -3.127 -0.636 1.00 0.00 N ATOM 1330 CA VAL A 86 6.819 -2.143 -1.513 1.00 0.00 C ATOM 1331 C VAL A 86 7.825 -1.085 -1.953 1.00 0.00 C ATOM 1332 O VAL A 86 8.282 -0.277 -1.147 1.00 0.00 O ATOM 1333 CB VAL A 86 5.629 -1.449 -0.824 1.00 0.00 C ATOM 1334 CG1 VAL A 86 5.077 -0.337 -1.703 1.00 0.00 C ATOM 1335 CG2 VAL A 86 4.545 -2.461 -0.487 1.00 0.00 C ATOM 0 H VAL A 86 7.897 -2.730 0.186 1.00 0.00 H new ATOM 0 HA VAL A 86 6.458 -2.683 -2.388 1.00 0.00 H new ATOM 0 HB VAL A 86 5.980 -1.003 0.107 1.00 0.00 H new ATOM 0 HG11 VAL A 86 4.237 0.142 -1.200 1.00 0.00 H new ATOM 0 HG12 VAL A 86 5.857 0.401 -1.889 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.741 -0.756 -2.651 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.712 -1.953 -0.001 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.195 -2.938 -1.403 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.950 -3.218 0.184 1.00 0.00 H new ATOM 1345 N GLU A 87 8.164 -1.098 -3.239 1.00 0.00 N ATOM 1346 CA GLU A 87 9.117 -0.139 -3.786 1.00 0.00 C ATOM 1347 C GLU A 87 8.393 1.019 -4.467 1.00 0.00 C ATOM 1348 O GLU A 87 7.460 0.811 -5.243 1.00 0.00 O ATOM 1349 CB GLU A 87 10.052 -0.827 -4.782 1.00 0.00 C ATOM 1350 CG GLU A 87 11.347 -0.069 -5.024 1.00 0.00 C ATOM 1351 CD GLU A 87 12.279 -0.796 -5.975 1.00 0.00 C ATOM 1352 OE1 GLU A 87 12.008 -0.787 -7.194 1.00 0.00 O ATOM 1353 OE2 GLU A 87 13.279 -1.372 -5.499 1.00 0.00 O ATOM 0 H GLU A 87 7.794 -1.761 -3.920 1.00 0.00 H new ATOM 0 HA GLU A 87 9.707 0.259 -2.961 1.00 0.00 H new ATOM 0 HB2 GLU A 87 10.288 -1.826 -4.415 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.531 -0.951 -5.731 1.00 0.00 H new ATOM 0 HG2 GLU A 87 11.117 0.916 -5.429 1.00 0.00 H new ATOM 0 HG3 GLU A 87 11.855 0.088 -4.073 1.00 0.00 H new ATOM 1360 N PHE A 88 8.830 2.239 -4.172 1.00 0.00 N ATOM 1361 CA PHE A 88 8.224 3.430 -4.754 1.00 0.00 C ATOM 1362 C PHE A 88 9.211 4.593 -4.764 1.00 0.00 C ATOM 1363 O PHE A 88 9.646 5.059 -3.712 1.00 0.00 O ATOM 1364 CB PHE A 88 6.966 3.820 -3.976 1.00 0.00 C ATOM 1365 CG PHE A 88 6.618 5.277 -4.090 1.00 0.00 C ATOM 1366 CD1 PHE A 88 5.903 5.749 -5.178 1.00 0.00 C ATOM 1367 CD2 PHE A 88 7.007 6.175 -3.109 1.00 0.00 C ATOM 1368 CE1 PHE A 88 5.581 7.089 -5.286 1.00 0.00 C ATOM 1369 CE2 PHE A 88 6.688 7.515 -3.211 1.00 0.00 C ATOM 1370 CZ PHE A 88 5.975 7.973 -4.301 1.00 0.00 C ATOM 0 H PHE A 88 9.602 2.428 -3.533 1.00 0.00 H new ATOM 0 HA PHE A 88 7.949 3.201 -5.784 1.00 0.00 H new ATOM 0 HB2 PHE A 88 6.127 3.225 -4.336 1.00 0.00 H new ATOM 0 HB3 PHE A 88 7.106 3.569 -2.925 1.00 0.00 H new ATOM 0 HD1 PHE A 88 5.593 5.062 -5.951 1.00 0.00 H new ATOM 0 HD2 PHE A 88 7.566 5.823 -2.255 1.00 0.00 H new ATOM 0 HE1 PHE A 88 5.022 7.444 -6.139 1.00 0.00 H new ATOM 0 HE2 PHE A 88 6.996 8.204 -2.439 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.726 9.021 -4.383 1.00 0.00 H new ATOM 1380 N GLU A 89 9.559 5.056 -5.960 1.00 0.00 N ATOM 1381 CA GLU A 89 10.496 6.164 -6.107 1.00 0.00 C ATOM 1382 C GLU A 89 9.844 7.335 -6.837 1.00 0.00 C ATOM 1383 O GLU A 89 9.697 7.333 -8.059 1.00 0.00 O ATOM 1384 CB GLU A 89 11.745 5.708 -6.865 1.00 0.00 C ATOM 1385 CG GLU A 89 12.736 6.828 -7.134 1.00 0.00 C ATOM 1386 CD GLU A 89 13.842 6.412 -8.085 1.00 0.00 C ATOM 1387 OE1 GLU A 89 14.853 5.853 -7.610 1.00 0.00 O ATOM 1388 OE2 GLU A 89 13.697 6.646 -9.303 1.00 0.00 O ATOM 0 H GLU A 89 9.207 4.682 -6.841 1.00 0.00 H new ATOM 0 HA GLU A 89 10.786 6.496 -5.110 1.00 0.00 H new ATOM 0 HB2 GLU A 89 12.241 4.925 -6.292 1.00 0.00 H new ATOM 0 HB3 GLU A 89 11.443 5.266 -7.814 1.00 0.00 H new ATOM 0 HG2 GLU A 89 12.206 7.685 -7.551 1.00 0.00 H new ATOM 0 HG3 GLU A 89 13.176 7.153 -6.191 1.00 0.00 H new ATOM 1395 N PRO A 90 9.444 8.360 -6.070 1.00 0.00 N ATOM 1396 CA PRO A 90 8.801 9.557 -6.621 1.00 0.00 C ATOM 1397 C PRO A 90 9.768 10.413 -7.431 1.00 0.00 C ATOM 1398 O PRO A 90 10.378 11.343 -6.904 1.00 0.00 O ATOM 1399 CB PRO A 90 8.332 10.313 -5.375 1.00 0.00 C ATOM 1400 CG PRO A 90 9.247 9.860 -4.290 1.00 0.00 C ATOM 1401 CD PRO A 90 9.588 8.430 -4.606 1.00 0.00 C ATOM 0 HA PRO A 90 7.996 9.306 -7.312 1.00 0.00 H new ATOM 0 HB2 PRO A 90 8.393 11.392 -5.520 1.00 0.00 H new ATOM 0 HB3 PRO A 90 7.293 10.082 -5.139 1.00 0.00 H new ATOM 0 HG2 PRO A 90 10.145 10.477 -4.254 1.00 0.00 H new ATOM 0 HG3 PRO A 90 8.766 9.940 -3.315 1.00 0.00 H new ATOM 0 HD2 PRO A 90 10.600 8.179 -4.289 1.00 0.00 H new ATOM 0 HD3 PRO A 90 8.915 7.736 -4.102 1.00 0.00 H new ATOM 1409 N GLN A 91 9.901 10.094 -8.715 1.00 0.00 N ATOM 1410 CA GLN A 91 10.794 10.835 -9.597 1.00 0.00 C ATOM 1411 C GLN A 91 10.557 12.337 -9.476 1.00 0.00 C ATOM 1412 O GLN A 91 11.501 13.127 -9.478 1.00 0.00 O ATOM 1413 CB GLN A 91 10.597 10.391 -11.047 1.00 0.00 C ATOM 1414 CG GLN A 91 11.477 11.137 -12.037 1.00 0.00 C ATOM 1415 CD GLN A 91 12.842 10.497 -12.202 1.00 0.00 C ATOM 1416 OE1 GLN A 91 13.656 10.561 -11.154 1.00 0.00 O flip ATOM 1417 NE2 GLN A 91 13.162 9.952 -13.259 1.00 0.00 N flip ATOM 0 H GLN A 91 9.402 9.328 -9.167 1.00 0.00 H new ATOM 0 HA GLN A 91 11.820 10.622 -9.295 1.00 0.00 H new ATOM 0 HB2 GLN A 91 10.804 9.323 -11.123 1.00 0.00 H new ATOM 0 HB3 GLN A 91 9.552 10.534 -11.323 1.00 0.00 H new ATOM 0 HG2 GLN A 91 10.978 11.174 -13.005 1.00 0.00 H new ATOM 0 HG3 GLN A 91 11.601 12.167 -11.703 1.00 0.00 H new ATOM 0 HE21 GLN A 91 12.505 9.926 -14.039 1.00 0.00 H new ATOM 0 HE22 GLN A 91 14.084 9.527 -13.355 1.00 0.00 H new ATOM 1426 N SER A 92 9.290 12.724 -9.371 1.00 0.00 N ATOM 1427 CA SER A 92 8.928 14.131 -9.253 1.00 0.00 C ATOM 1428 C SER A 92 8.702 14.514 -7.793 1.00 0.00 C ATOM 1429 O SER A 92 8.422 13.660 -6.952 1.00 0.00 O ATOM 1430 CB SER A 92 7.668 14.426 -10.070 1.00 0.00 C ATOM 1431 OG SER A 92 6.616 13.544 -9.720 1.00 0.00 O ATOM 0 H SER A 92 8.497 12.083 -9.365 1.00 0.00 H new ATOM 0 HA SER A 92 9.753 14.726 -9.643 1.00 0.00 H new ATOM 0 HB2 SER A 92 7.354 15.456 -9.902 1.00 0.00 H new ATOM 0 HB3 SER A 92 7.889 14.330 -11.133 1.00 0.00 H new ATOM 0 HG SER A 92 6.572 13.458 -8.745 1.00 0.00 H new ATOM 1437 N VAL A 93 8.826 15.804 -7.500 1.00 0.00 N ATOM 1438 CA VAL A 93 8.635 16.302 -6.143 1.00 0.00 C ATOM 1439 C VAL A 93 7.177 16.670 -5.893 1.00 0.00 C ATOM 1440 O VAL A 93 6.542 17.329 -6.715 1.00 0.00 O ATOM 1441 CB VAL A 93 9.518 17.534 -5.867 1.00 0.00 C ATOM 1442 CG1 VAL A 93 9.310 18.033 -4.446 1.00 0.00 C ATOM 1443 CG2 VAL A 93 10.982 17.205 -6.117 1.00 0.00 C ATOM 0 H VAL A 93 9.058 16.524 -8.184 1.00 0.00 H new ATOM 0 HA VAL A 93 8.925 15.497 -5.467 1.00 0.00 H new ATOM 0 HB VAL A 93 9.226 18.330 -6.552 1.00 0.00 H new ATOM 0 HG11 VAL A 93 9.942 18.903 -4.270 1.00 0.00 H new ATOM 0 HG12 VAL A 93 8.265 18.309 -4.307 1.00 0.00 H new ATOM 0 HG13 VAL A 93 9.574 17.244 -3.741 1.00 0.00 H new ATOM 0 HG21 VAL A 93 11.592 18.086 -5.917 1.00 0.00 H new ATOM 0 HG22 VAL A 93 11.290 16.393 -5.458 1.00 0.00 H new ATOM 0 HG23 VAL A 93 11.114 16.900 -7.155 1.00 0.00 H new ATOM 1453 N GLY A 94 6.651 16.238 -4.750 1.00 0.00 N ATOM 1454 CA GLY A 94 5.270 16.532 -4.412 1.00 0.00 C ATOM 1455 C GLY A 94 4.559 15.343 -3.796 1.00 0.00 C ATOM 1456 O GLY A 94 5.077 14.227 -3.808 1.00 0.00 O ATOM 0 H GLY A 94 7.156 15.690 -4.053 1.00 0.00 H new ATOM 0 HA2 GLY A 94 5.240 17.370 -3.716 1.00 0.00 H new ATOM 0 HA3 GLY A 94 4.738 16.844 -5.310 1.00 0.00 H new ATOM 1460 N ASP A 95 3.369 15.583 -3.256 1.00 0.00 N ATOM 1461 CA ASP A 95 2.585 14.523 -2.633 1.00 0.00 C ATOM 1462 C ASP A 95 2.225 13.444 -3.649 1.00 0.00 C ATOM 1463 O ASP A 95 1.718 13.740 -4.731 1.00 0.00 O ATOM 1464 CB ASP A 95 1.313 15.100 -2.009 1.00 0.00 C ATOM 1465 CG ASP A 95 0.554 15.996 -2.968 1.00 0.00 C ATOM 1466 OD1 ASP A 95 -0.258 15.469 -3.756 1.00 0.00 O ATOM 1467 OD2 ASP A 95 0.772 17.226 -2.930 1.00 0.00 O ATOM 0 H ASP A 95 2.926 16.502 -3.237 1.00 0.00 H new ATOM 0 HA ASP A 95 3.191 14.069 -1.849 1.00 0.00 H new ATOM 0 HB2 ASP A 95 0.666 14.283 -1.689 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.575 15.667 -1.116 1.00 0.00 H new ATOM 1472 N HIS A 96 2.491 12.191 -3.294 1.00 0.00 N ATOM 1473 CA HIS A 96 2.195 11.067 -4.175 1.00 0.00 C ATOM 1474 C HIS A 96 1.262 10.072 -3.492 1.00 0.00 C ATOM 1475 O HIS A 96 1.664 9.362 -2.570 1.00 0.00 O ATOM 1476 CB HIS A 96 3.487 10.367 -4.595 1.00 0.00 C ATOM 1477 CG HIS A 96 4.119 10.959 -5.817 1.00 0.00 C ATOM 1478 ND1 HIS A 96 3.835 10.527 -7.095 1.00 0.00 N ATOM 1479 CD2 HIS A 96 5.025 11.955 -5.951 1.00 0.00 C ATOM 1480 CE1 HIS A 96 4.539 11.232 -7.963 1.00 0.00 C ATOM 1481 NE2 HIS A 96 5.270 12.106 -7.294 1.00 0.00 N ATOM 0 H HIS A 96 2.911 11.929 -2.402 1.00 0.00 H new ATOM 0 HA HIS A 96 1.696 11.455 -5.063 1.00 0.00 H new ATOM 0 HB2 HIS A 96 4.199 10.411 -3.771 1.00 0.00 H new ATOM 0 HB3 HIS A 96 3.276 9.313 -4.779 1.00 0.00 H new ATOM 0 HD1 HIS A 96 3.183 9.780 -7.333 1.00 0.00 H new ATOM 0 HD2 HIS A 96 5.472 12.525 -5.150 1.00 0.00 H new ATOM 0 HE1 HIS A 96 4.520 11.114 -9.036 1.00 0.00 H new ATOM 1490 N SER A 97 0.014 10.027 -3.949 1.00 0.00 N ATOM 1491 CA SER A 97 -0.977 9.122 -3.379 1.00 0.00 C ATOM 1492 C SER A 97 -1.571 8.219 -4.455 1.00 0.00 C ATOM 1493 O SER A 97 -1.710 8.620 -5.610 1.00 0.00 O ATOM 1494 CB SER A 97 -2.089 9.917 -2.693 1.00 0.00 C ATOM 1495 OG SER A 97 -3.009 10.429 -3.642 1.00 0.00 O ATOM 0 H SER A 97 -0.334 10.607 -4.712 1.00 0.00 H new ATOM 0 HA SER A 97 -0.478 8.496 -2.639 1.00 0.00 H new ATOM 0 HB2 SER A 97 -2.613 9.277 -1.982 1.00 0.00 H new ATOM 0 HB3 SER A 97 -1.655 10.738 -2.123 1.00 0.00 H new ATOM 0 HG SER A 97 -3.711 10.932 -3.179 1.00 0.00 H new ATOM 1501 N GLY A 98 -1.920 6.996 -4.067 1.00 0.00 N ATOM 1502 CA GLY A 98 -2.495 6.054 -5.009 1.00 0.00 C ATOM 1503 C GLY A 98 -3.461 5.091 -4.350 1.00 0.00 C ATOM 1504 O GLY A 98 -4.125 5.439 -3.373 1.00 0.00 O ATOM 0 H GLY A 98 -1.815 6.641 -3.117 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -3.013 6.602 -5.795 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.695 5.490 -5.488 1.00 0.00 H new ATOM 1508 N ARG A 99 -3.542 3.877 -4.884 1.00 0.00 N ATOM 1509 CA ARG A 99 -4.436 2.861 -4.343 1.00 0.00 C ATOM 1510 C ARG A 99 -3.972 1.462 -4.736 1.00 0.00 C ATOM 1511 O ARG A 99 -3.724 1.185 -5.910 1.00 0.00 O ATOM 1512 CB ARG A 99 -5.865 3.093 -4.838 1.00 0.00 C ATOM 1513 CG ARG A 99 -6.900 2.226 -4.140 1.00 0.00 C ATOM 1514 CD ARG A 99 -8.315 2.680 -4.461 1.00 0.00 C ATOM 1515 NE ARG A 99 -8.727 2.280 -5.804 1.00 0.00 N ATOM 1516 CZ ARG A 99 -8.487 3.003 -6.892 1.00 0.00 C ATOM 1517 NH1 ARG A 99 -7.840 4.157 -6.796 1.00 0.00 N ATOM 1518 NH2 ARG A 99 -8.893 2.573 -8.080 1.00 0.00 N ATOM 0 H ARG A 99 -2.999 3.573 -5.692 1.00 0.00 H new ATOM 0 HA ARG A 99 -4.417 2.939 -3.256 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -6.125 4.142 -4.693 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -5.905 2.900 -5.910 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -6.772 1.188 -4.445 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -6.740 2.263 -3.062 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -9.005 2.259 -3.730 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -8.377 3.764 -4.371 1.00 0.00 H new ATOM 0 HE ARG A 99 -9.226 1.397 -5.912 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -7.525 4.491 -5.885 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -7.657 4.710 -7.633 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -9.390 1.686 -8.159 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -8.708 3.130 -8.914 1.00 0.00 H new ATOM 1532 N LEU A 100 -3.855 0.583 -3.746 1.00 0.00 N ATOM 1533 CA LEU A 100 -3.419 -0.788 -3.988 1.00 0.00 C ATOM 1534 C LEU A 100 -4.597 -1.754 -3.918 1.00 0.00 C ATOM 1535 O LEU A 100 -5.155 -1.992 -2.846 1.00 0.00 O ATOM 1536 CB LEU A 100 -2.353 -1.192 -2.968 1.00 0.00 C ATOM 1537 CG LEU A 100 -0.979 -0.544 -3.141 1.00 0.00 C ATOM 1538 CD1 LEU A 100 -0.101 -0.821 -1.930 1.00 0.00 C ATOM 1539 CD2 LEU A 100 -0.309 -1.045 -4.413 1.00 0.00 C ATOM 0 H LEU A 100 -4.056 0.795 -2.769 1.00 0.00 H new ATOM 0 HA LEU A 100 -2.992 -0.836 -4.990 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -2.723 -0.952 -1.971 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.230 -2.274 -3.010 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.116 0.534 -3.226 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.873 -0.352 -2.072 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -0.574 -0.413 -1.037 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.028 -1.897 -1.813 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.668 -0.573 -4.520 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.185 -2.127 -4.357 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.929 -0.794 -5.274 1.00 0.00 H new ATOM 1551 N ILE A 101 -4.970 -2.308 -5.067 1.00 0.00 N ATOM 1552 CA ILE A 101 -6.080 -3.251 -5.135 1.00 0.00 C ATOM 1553 C ILE A 101 -5.580 -4.691 -5.097 1.00 0.00 C ATOM 1554 O ILE A 101 -4.724 -5.084 -5.889 1.00 0.00 O ATOM 1555 CB ILE A 101 -6.917 -3.043 -6.410 1.00 0.00 C ATOM 1556 CG1 ILE A 101 -7.351 -1.581 -6.529 1.00 0.00 C ATOM 1557 CG2 ILE A 101 -8.129 -3.962 -6.404 1.00 0.00 C ATOM 1558 CD1 ILE A 101 -7.691 -1.164 -7.943 1.00 0.00 C ATOM 0 H ILE A 101 -4.520 -2.120 -5.963 1.00 0.00 H new ATOM 0 HA ILE A 101 -6.708 -3.064 -4.264 1.00 0.00 H new ATOM 0 HB ILE A 101 -6.302 -3.291 -7.275 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -8.219 -1.415 -5.891 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -6.552 -0.942 -6.152 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -8.711 -3.803 -7.312 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -7.798 -5.000 -6.362 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -8.748 -3.743 -5.534 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -7.990 -0.116 -7.951 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -6.818 -1.297 -8.582 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -8.511 -1.778 -8.316 1.00 0.00 H new ATOM 1570 N VAL A 102 -6.123 -5.476 -4.171 1.00 0.00 N ATOM 1571 CA VAL A 102 -5.735 -6.874 -4.031 1.00 0.00 C ATOM 1572 C VAL A 102 -6.840 -7.803 -4.523 1.00 0.00 C ATOM 1573 O VAL A 102 -7.938 -7.828 -3.965 1.00 0.00 O ATOM 1574 CB VAL A 102 -5.402 -7.221 -2.568 1.00 0.00 C ATOM 1575 CG1 VAL A 102 -4.884 -8.647 -2.461 1.00 0.00 C ATOM 1576 CG2 VAL A 102 -4.392 -6.234 -2.004 1.00 0.00 C ATOM 0 H VAL A 102 -6.833 -5.167 -3.507 1.00 0.00 H new ATOM 0 HA VAL A 102 -4.844 -7.017 -4.642 1.00 0.00 H new ATOM 0 HB VAL A 102 -6.316 -7.148 -1.978 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -4.654 -8.873 -1.420 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -5.645 -9.339 -2.823 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -3.981 -8.752 -3.063 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -4.168 -6.494 -0.969 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -3.477 -6.273 -2.594 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -4.807 -5.227 -2.043 1.00 0.00 H new ATOM 1586 N CYS A 103 -6.543 -8.564 -5.570 1.00 0.00 N ATOM 1587 CA CYS A 103 -7.512 -9.495 -6.139 1.00 0.00 C ATOM 1588 C CYS A 103 -7.345 -10.887 -5.538 1.00 0.00 C ATOM 1589 O CYS A 103 -6.289 -11.507 -5.667 1.00 0.00 O ATOM 1590 CB CYS A 103 -7.357 -9.559 -7.659 1.00 0.00 C ATOM 1591 SG CYS A 103 -7.780 -8.021 -8.510 1.00 0.00 S ATOM 0 H CYS A 103 -5.639 -8.555 -6.043 1.00 0.00 H new ATOM 0 HA CYS A 103 -8.512 -9.133 -5.899 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -6.326 -9.822 -7.898 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -7.988 -10.360 -8.044 1.00 0.00 H new ATOM 0 HG CYS A 103 -7.615 -8.174 -9.790 1.00 0.00 H new ATOM 1597 N TYR A 104 -8.392 -11.371 -4.881 1.00 0.00 N ATOM 1598 CA TYR A 104 -8.360 -12.689 -4.257 1.00 0.00 C ATOM 1599 C TYR A 104 -8.830 -13.765 -5.231 1.00 0.00 C ATOM 1600 O TYR A 104 -9.508 -13.473 -6.216 1.00 0.00 O ATOM 1601 CB TYR A 104 -9.236 -12.703 -3.003 1.00 0.00 C ATOM 1602 CG TYR A 104 -8.595 -12.033 -1.809 1.00 0.00 C ATOM 1603 CD1 TYR A 104 -8.183 -10.707 -1.869 1.00 0.00 C ATOM 1604 CD2 TYR A 104 -8.401 -12.726 -0.620 1.00 0.00 C ATOM 1605 CE1 TYR A 104 -7.596 -10.092 -0.780 1.00 0.00 C ATOM 1606 CE2 TYR A 104 -7.817 -12.118 0.474 1.00 0.00 C ATOM 1607 CZ TYR A 104 -7.415 -10.801 0.389 1.00 0.00 C ATOM 1608 OH TYR A 104 -6.832 -10.190 1.476 1.00 0.00 O ATOM 0 H TYR A 104 -9.274 -10.871 -4.766 1.00 0.00 H new ATOM 0 HA TYR A 104 -7.329 -12.905 -3.976 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -10.180 -12.206 -3.224 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -9.472 -13.736 -2.746 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -8.324 -10.148 -2.782 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -8.712 -13.758 -0.550 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -7.280 -9.061 -0.844 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -7.676 -12.671 1.391 1.00 0.00 H new ATOM 0 HH TYR A 104 -7.386 -10.338 2.271 1.00 0.00 H new ATOM 1618 N ASP A 105 -8.464 -15.010 -4.948 1.00 0.00 N ATOM 1619 CA ASP A 105 -8.849 -16.132 -5.797 1.00 0.00 C ATOM 1620 C ASP A 105 -10.345 -16.407 -5.689 1.00 0.00 C ATOM 1621 O ASP A 105 -10.973 -16.872 -6.641 1.00 0.00 O ATOM 1622 CB ASP A 105 -8.058 -17.383 -5.413 1.00 0.00 C ATOM 1623 CG ASP A 105 -8.387 -18.569 -6.299 1.00 0.00 C ATOM 1624 OD1 ASP A 105 -7.757 -18.704 -7.369 1.00 0.00 O ATOM 1625 OD2 ASP A 105 -9.273 -19.364 -5.921 1.00 0.00 O ATOM 0 H ASP A 105 -7.901 -15.268 -4.137 1.00 0.00 H new ATOM 0 HA ASP A 105 -8.621 -15.870 -6.830 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -6.991 -17.169 -5.478 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -8.269 -17.639 -4.375 1.00 0.00 H new ATOM 1630 N THR A 106 -10.913 -16.118 -4.522 1.00 0.00 N ATOM 1631 CA THR A 106 -12.335 -16.336 -4.288 1.00 0.00 C ATOM 1632 C THR A 106 -13.170 -15.215 -4.896 1.00 0.00 C ATOM 1633 O THR A 106 -14.299 -15.435 -5.332 1.00 0.00 O ATOM 1634 CB THR A 106 -12.648 -16.436 -2.784 1.00 0.00 C ATOM 1635 OG1 THR A 106 -14.061 -16.545 -2.584 1.00 0.00 O ATOM 1636 CG2 THR A 106 -12.117 -15.221 -2.038 1.00 0.00 C ATOM 0 H THR A 106 -10.409 -15.732 -3.724 1.00 0.00 H new ATOM 0 HA THR A 106 -12.593 -17.280 -4.768 1.00 0.00 H new ATOM 0 HB THR A 106 -12.156 -17.326 -2.392 1.00 0.00 H new ATOM 0 HG1 THR A 106 -14.252 -16.610 -1.625 1.00 0.00 H new ATOM 0 HG21 THR A 106 -12.350 -15.315 -0.977 1.00 0.00 H new ATOM 0 HG22 THR A 106 -11.037 -15.158 -2.168 1.00 0.00 H new ATOM 0 HG23 THR A 106 -12.583 -14.319 -2.434 1.00 0.00 H new ATOM 1644 N GLY A 107 -12.607 -14.011 -4.922 1.00 0.00 N ATOM 1645 CA GLY A 107 -13.314 -12.873 -5.480 1.00 0.00 C ATOM 1646 C GLY A 107 -13.157 -11.623 -4.637 1.00 0.00 C ATOM 1647 O GLY A 107 -13.277 -10.507 -5.143 1.00 0.00 O ATOM 0 H GLY A 107 -11.674 -13.803 -4.567 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -12.944 -12.677 -6.487 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -14.373 -13.116 -5.571 1.00 0.00 H new ATOM 1651 N GLU A 108 -12.888 -11.809 -3.349 1.00 0.00 N ATOM 1652 CA GLU A 108 -12.717 -10.686 -2.434 1.00 0.00 C ATOM 1653 C GLU A 108 -11.692 -9.694 -2.978 1.00 0.00 C ATOM 1654 O GLU A 108 -10.735 -10.078 -3.649 1.00 0.00 O ATOM 1655 CB GLU A 108 -12.279 -11.185 -1.055 1.00 0.00 C ATOM 1656 CG GLU A 108 -13.438 -11.567 -0.150 1.00 0.00 C ATOM 1657 CD GLU A 108 -14.014 -10.377 0.593 1.00 0.00 C ATOM 1658 OE1 GLU A 108 -13.324 -9.847 1.489 1.00 0.00 O ATOM 1659 OE2 GLU A 108 -15.154 -9.976 0.279 1.00 0.00 O ATOM 0 H GLU A 108 -12.784 -12.726 -2.915 1.00 0.00 H new ATOM 0 HA GLU A 108 -13.676 -10.177 -2.340 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -11.627 -12.049 -1.181 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -11.689 -10.409 -0.568 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -14.222 -12.032 -0.747 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -13.101 -12.312 0.571 1.00 0.00 H new ATOM 1666 N LYS A 109 -11.902 -8.416 -2.682 1.00 0.00 N ATOM 1667 CA LYS A 109 -10.998 -7.366 -3.139 1.00 0.00 C ATOM 1668 C LYS A 109 -10.831 -6.290 -2.072 1.00 0.00 C ATOM 1669 O LYS A 109 -11.812 -5.788 -1.522 1.00 0.00 O ATOM 1670 CB LYS A 109 -11.523 -6.740 -4.433 1.00 0.00 C ATOM 1671 CG LYS A 109 -10.487 -5.911 -5.172 1.00 0.00 C ATOM 1672 CD LYS A 109 -10.976 -5.510 -6.553 1.00 0.00 C ATOM 1673 CE LYS A 109 -12.163 -4.563 -6.471 1.00 0.00 C ATOM 1674 NZ LYS A 109 -13.460 -5.294 -6.521 1.00 0.00 N ATOM 0 H LYS A 109 -12.690 -8.082 -2.128 1.00 0.00 H new ATOM 0 HA LYS A 109 -10.024 -7.817 -3.330 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -11.879 -7.532 -5.092 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -12.381 -6.110 -4.200 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -10.255 -5.017 -4.593 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -9.562 -6.480 -5.264 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -10.165 -5.032 -7.103 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -11.258 -6.401 -7.113 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -12.106 -3.988 -5.547 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -12.116 -3.850 -7.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -13.940 -5.087 -7.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -13.285 -6.317 -6.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -14.061 -4.989 -5.729 1.00 0.00 H new ATOM 1688 N VAL A 110 -9.582 -5.937 -1.784 1.00 0.00 N ATOM 1689 CA VAL A 110 -9.287 -4.917 -0.784 1.00 0.00 C ATOM 1690 C VAL A 110 -8.585 -3.719 -1.412 1.00 0.00 C ATOM 1691 O VAL A 110 -7.893 -3.850 -2.423 1.00 0.00 O ATOM 1692 CB VAL A 110 -8.406 -5.479 0.347 1.00 0.00 C ATOM 1693 CG1 VAL A 110 -6.976 -5.671 -0.134 1.00 0.00 C ATOM 1694 CG2 VAL A 110 -8.450 -4.564 1.561 1.00 0.00 C ATOM 0 H VAL A 110 -8.758 -6.342 -2.229 1.00 0.00 H new ATOM 0 HA VAL A 110 -10.242 -4.597 -0.366 1.00 0.00 H new ATOM 0 HB VAL A 110 -8.799 -6.453 0.640 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -6.369 -6.069 0.679 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -6.964 -6.369 -0.971 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -6.569 -4.713 -0.456 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -7.822 -4.977 2.351 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -8.083 -3.575 1.285 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -9.476 -4.483 1.919 1.00 0.00 H new ATOM 1704 N PHE A 111 -8.766 -2.550 -0.807 1.00 0.00 N ATOM 1705 CA PHE A 111 -8.150 -1.326 -1.308 1.00 0.00 C ATOM 1706 C PHE A 111 -7.280 -0.678 -0.235 1.00 0.00 C ATOM 1707 O PHE A 111 -7.764 -0.311 0.836 1.00 0.00 O ATOM 1708 CB PHE A 111 -9.225 -0.342 -1.772 1.00 0.00 C ATOM 1709 CG PHE A 111 -10.017 -0.831 -2.951 1.00 0.00 C ATOM 1710 CD1 PHE A 111 -11.079 -1.703 -2.776 1.00 0.00 C ATOM 1711 CD2 PHE A 111 -9.698 -0.419 -4.235 1.00 0.00 C ATOM 1712 CE1 PHE A 111 -11.809 -2.155 -3.859 1.00 0.00 C ATOM 1713 CE2 PHE A 111 -10.425 -0.867 -5.322 1.00 0.00 C ATOM 1714 CZ PHE A 111 -11.481 -1.737 -5.134 1.00 0.00 C ATOM 0 H PHE A 111 -9.334 -2.424 0.031 1.00 0.00 H new ATOM 0 HA PHE A 111 -7.517 -1.587 -2.156 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -9.906 -0.143 -0.944 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -8.752 0.605 -2.030 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -11.340 -2.034 -1.781 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -8.872 0.260 -4.388 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -12.635 -2.834 -3.709 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -10.167 -0.537 -6.318 1.00 0.00 H new ATOM 0 HZ PHE A 111 -12.049 -2.090 -5.982 1.00 0.00 H new ATOM 1724 N VAL A 112 -5.991 -0.539 -0.531 1.00 0.00 N ATOM 1725 CA VAL A 112 -5.052 0.066 0.407 1.00 0.00 C ATOM 1726 C VAL A 112 -4.424 1.324 -0.180 1.00 0.00 C ATOM 1727 O VAL A 112 -3.584 1.251 -1.077 1.00 0.00 O ATOM 1728 CB VAL A 112 -3.934 -0.920 0.795 1.00 0.00 C ATOM 1729 CG1 VAL A 112 -2.968 -0.272 1.775 1.00 0.00 C ATOM 1730 CG2 VAL A 112 -4.527 -2.193 1.381 1.00 0.00 C ATOM 0 H VAL A 112 -5.573 -0.837 -1.413 1.00 0.00 H new ATOM 0 HA VAL A 112 -5.620 0.329 1.299 1.00 0.00 H new ATOM 0 HB VAL A 112 -3.378 -1.186 -0.104 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -2.185 -0.983 2.038 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -2.519 0.608 1.315 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -3.507 0.024 2.675 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -3.723 -2.879 1.650 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -5.108 -1.948 2.270 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -5.175 -2.665 0.643 1.00 0.00 H new ATOM 1740 N SER A 113 -4.836 2.479 0.333 1.00 0.00 N ATOM 1741 CA SER A 113 -4.315 3.756 -0.143 1.00 0.00 C ATOM 1742 C SER A 113 -2.790 3.768 -0.106 1.00 0.00 C ATOM 1743 O SER A 113 -2.165 2.913 0.523 1.00 0.00 O ATOM 1744 CB SER A 113 -4.867 4.903 0.706 1.00 0.00 C ATOM 1745 OG SER A 113 -6.279 4.834 0.802 1.00 0.00 O ATOM 0 H SER A 113 -5.529 2.557 1.078 1.00 0.00 H new ATOM 0 HA SER A 113 -4.636 3.890 -1.176 1.00 0.00 H new ATOM 0 HB2 SER A 113 -4.429 4.864 1.704 1.00 0.00 H new ATOM 0 HB3 SER A 113 -4.576 5.857 0.267 1.00 0.00 H new ATOM 0 HG SER A 113 -6.606 5.577 1.351 1.00 0.00 H new ATOM 1751 N LEU A 114 -2.197 4.744 -0.785 1.00 0.00 N ATOM 1752 CA LEU A 114 -0.744 4.869 -0.832 1.00 0.00 C ATOM 1753 C LEU A 114 -0.306 6.276 -0.437 1.00 0.00 C ATOM 1754 O LEU A 114 -1.125 7.191 -0.353 1.00 0.00 O ATOM 1755 CB LEU A 114 -0.228 4.537 -2.233 1.00 0.00 C ATOM 1756 CG LEU A 114 -0.291 3.064 -2.639 1.00 0.00 C ATOM 1757 CD1 LEU A 114 0.150 2.889 -4.084 1.00 0.00 C ATOM 1758 CD2 LEU A 114 0.568 2.217 -1.711 1.00 0.00 C ATOM 0 H LEU A 114 -2.699 5.460 -1.310 1.00 0.00 H new ATOM 0 HA LEU A 114 -0.320 4.162 -0.119 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -0.800 5.118 -2.956 1.00 0.00 H new ATOM 0 HB3 LEU A 114 0.808 4.869 -2.305 1.00 0.00 H new ATOM 0 HG LEU A 114 -1.324 2.728 -2.553 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.099 1.834 -4.355 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -0.507 3.464 -4.737 1.00 0.00 H new ATOM 0 HD13 LEU A 114 1.175 3.243 -4.197 1.00 0.00 H new ATOM 0 HD21 LEU A 114 0.511 1.172 -2.015 1.00 0.00 H new ATOM 0 HD22 LEU A 114 1.603 2.554 -1.764 1.00 0.00 H new ATOM 0 HD23 LEU A 114 0.206 2.317 -0.688 1.00 0.00 H new ATOM 1770 N TYR A 115 0.990 6.441 -0.198 1.00 0.00 N ATOM 1771 CA TYR A 115 1.537 7.737 0.188 1.00 0.00 C ATOM 1772 C TYR A 115 3.047 7.777 -0.028 1.00 0.00 C ATOM 1773 O TYR A 115 3.675 6.752 -0.290 1.00 0.00 O ATOM 1774 CB TYR A 115 1.212 8.035 1.652 1.00 0.00 C ATOM 1775 CG TYR A 115 0.039 8.972 1.834 1.00 0.00 C ATOM 1776 CD1 TYR A 115 0.114 10.298 1.426 1.00 0.00 C ATOM 1777 CD2 TYR A 115 -1.144 8.531 2.412 1.00 0.00 C ATOM 1778 CE1 TYR A 115 -0.954 11.158 1.590 1.00 0.00 C ATOM 1779 CE2 TYR A 115 -2.219 9.383 2.579 1.00 0.00 C ATOM 1780 CZ TYR A 115 -2.119 10.695 2.167 1.00 0.00 C ATOM 1781 OH TYR A 115 -3.186 11.548 2.331 1.00 0.00 O ATOM 0 H TYR A 115 1.681 5.694 -0.265 1.00 0.00 H new ATOM 0 HA TYR A 115 1.078 8.499 -0.442 1.00 0.00 H new ATOM 0 HB2 TYR A 115 1.000 7.098 2.166 1.00 0.00 H new ATOM 0 HB3 TYR A 115 2.090 8.469 2.129 1.00 0.00 H new ATOM 0 HD1 TYR A 115 1.024 10.663 0.972 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -1.225 7.504 2.737 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -0.878 12.186 1.269 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -3.132 9.023 3.030 1.00 0.00 H new ATOM 0 HH TYR A 115 -3.929 11.066 2.751 1.00 0.00 H new ATOM 1791 N GLY A 116 3.623 8.970 0.083 1.00 0.00 N ATOM 1792 CA GLY A 116 5.054 9.123 -0.102 1.00 0.00 C ATOM 1793 C GLY A 116 5.446 10.550 -0.430 1.00 0.00 C ATOM 1794 O GLY A 116 5.998 10.820 -1.497 1.00 0.00 O ATOM 0 H GLY A 116 3.124 9.833 0.298 1.00 0.00 H new ATOM 0 HA2 GLY A 116 5.570 8.807 0.804 1.00 0.00 H new ATOM 0 HA3 GLY A 116 5.386 8.464 -0.905 1.00 0.00 H new ATOM 1798 N ALA A 117 5.161 11.467 0.489 1.00 0.00 N ATOM 1799 CA ALA A 117 5.488 12.874 0.292 1.00 0.00 C ATOM 1800 C ALA A 117 6.954 13.048 -0.088 1.00 0.00 C ATOM 1801 O ALA A 117 7.843 12.922 0.753 1.00 0.00 O ATOM 1802 CB ALA A 117 5.168 13.671 1.548 1.00 0.00 C ATOM 0 H ALA A 117 4.704 11.261 1.377 1.00 0.00 H new ATOM 0 HA ALA A 117 4.879 13.252 -0.529 1.00 0.00 H new ATOM 0 HB1 ALA A 117 5.417 14.720 1.387 1.00 0.00 H new ATOM 0 HB2 ALA A 117 4.106 13.581 1.775 1.00 0.00 H new ATOM 0 HB3 ALA A 117 5.752 13.284 2.383 1.00 0.00 H new ATOM 1808 N ALA A 118 7.200 13.338 -1.362 1.00 0.00 N ATOM 1809 CA ALA A 118 8.558 13.531 -1.853 1.00 0.00 C ATOM 1810 C ALA A 118 8.976 14.994 -1.752 1.00 0.00 C ATOM 1811 O ALA A 118 8.142 15.895 -1.845 1.00 0.00 O ATOM 1812 CB ALA A 118 8.674 13.045 -3.291 1.00 0.00 C ATOM 0 H ALA A 118 6.476 13.444 -2.072 1.00 0.00 H new ATOM 0 HA ALA A 118 9.230 12.944 -1.227 1.00 0.00 H new ATOM 0 HB1 ALA A 118 9.694 13.195 -3.645 1.00 0.00 H new ATOM 0 HB2 ALA A 118 8.426 11.985 -3.338 1.00 0.00 H new ATOM 0 HB3 ALA A 118 7.985 13.607 -3.922 1.00 0.00 H new ATOM 1818 N ILE A 119 10.271 15.223 -1.560 1.00 0.00 N ATOM 1819 CA ILE A 119 10.798 16.577 -1.446 1.00 0.00 C ATOM 1820 C ILE A 119 11.991 16.782 -2.374 1.00 0.00 C ATOM 1821 O ILE A 119 12.787 15.868 -2.590 1.00 0.00 O ATOM 1822 CB ILE A 119 11.226 16.895 -0.001 1.00 0.00 C ATOM 1823 CG1 ILE A 119 11.897 15.676 0.636 1.00 0.00 C ATOM 1824 CG2 ILE A 119 10.024 17.335 0.821 1.00 0.00 C ATOM 1825 CD1 ILE A 119 12.956 16.034 1.655 1.00 0.00 C ATOM 0 H ILE A 119 10.974 14.488 -1.480 1.00 0.00 H new ATOM 0 HA ILE A 119 9.994 17.254 -1.735 1.00 0.00 H new ATOM 0 HB ILE A 119 11.947 17.712 -0.022 1.00 0.00 H new ATOM 0 HG12 ILE A 119 11.135 15.061 1.116 1.00 0.00 H new ATOM 0 HG13 ILE A 119 12.349 15.069 -0.148 1.00 0.00 H new ATOM 0 HG21 ILE A 119 10.341 17.556 1.840 1.00 0.00 H new ATOM 0 HG22 ILE A 119 9.586 18.228 0.375 1.00 0.00 H new ATOM 0 HG23 ILE A 119 9.282 16.536 0.837 1.00 0.00 H new ATOM 0 HD11 ILE A 119 13.389 15.122 2.065 1.00 0.00 H new ATOM 0 HD12 ILE A 119 13.738 16.623 1.176 1.00 0.00 H new ATOM 0 HD13 ILE A 119 12.505 16.615 2.459 1.00 0.00 H new ATOM 1837 N ASP A 120 12.110 17.988 -2.918 1.00 0.00 N ATOM 1838 CA ASP A 120 13.208 18.315 -3.821 1.00 0.00 C ATOM 1839 C ASP A 120 14.552 17.957 -3.194 1.00 0.00 C ATOM 1840 O ASP A 120 15.508 17.631 -3.896 1.00 0.00 O ATOM 1841 CB ASP A 120 13.177 19.802 -4.178 1.00 0.00 C ATOM 1842 CG ASP A 120 11.779 20.384 -4.114 1.00 0.00 C ATOM 1843 OD1 ASP A 120 11.062 20.318 -5.134 1.00 0.00 O ATOM 1844 OD2 ASP A 120 11.402 20.906 -3.044 1.00 0.00 O ATOM 0 H ASP A 120 11.460 18.756 -2.750 1.00 0.00 H new ATOM 0 HA ASP A 120 13.085 17.728 -4.731 1.00 0.00 H new ATOM 0 HB2 ASP A 120 13.827 20.350 -3.496 1.00 0.00 H new ATOM 0 HB3 ASP A 120 13.579 19.940 -5.182 1.00 0.00 H new