USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 684 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 30 SER OG : rot 72:sc= 0.407 USER MOD Single : A 32 SER OG : rot -38:sc= 0.908 USER MOD Single : A 33 ASN : amide:sc= -10.9! C(o=-11!,f=-4.2!) USER MOD Single : A 48 ASN : amide:sc= -1.95! K(o=-1.9!,f=-0.43) USER MOD Single : A 50 GLN : amide:sc= 0.764 K(o=0.76,f=-1.6!) USER MOD Single : A 60 LYS NZ :NH3+ -130:sc= -0.668 (180deg=-2.41!) USER MOD Single : A 66 SER OG : rot -27:sc= 0.493 USER MOD Single : A 71 SER OG : rot -77:sc= 1.24 USER MOD Single : A 76 SER OG : rot -171:sc= 0.609 USER MOD Single : A 79 GLN : amide:sc= -4.67! K(o=-4.7!,f=-0.26) USER MOD Single : A 89 MET CE :methyl 143:sc= -2.86 (180deg=-5.8!) USER MOD Single : A 91 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0579) USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.386 USER MOD Single : A 97 THR OG1 : rot 78:sc= 0.0819 USER MOD Single : A 102 LYS NZ :NH3+ 173:sc=-0.00214 (180deg=-0.0679) USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 107 TYR OH : rot 29:sc= -1.81! USER MOD Single : A 110 THR OG1 : rot -72:sc= 1.16 USER MOD Single : A 111 HIS : no HD1:sc= -0.275 X(o=-0.27,f=-0.72) USER MOD ----------------------------------------------------------------- ATOM 347 N ALA A 23 -11.749 0.084 4.863 1.00 0.00 N ATOM 348 CA ALA A 23 -11.626 -1.363 4.734 1.00 0.00 C ATOM 349 C ALA A 23 -10.166 -1.796 4.775 1.00 0.00 C ATOM 350 O ALA A 23 -9.834 -2.919 4.394 1.00 0.00 O ATOM 351 CB ALA A 23 -12.293 -1.851 3.458 1.00 0.00 C ATOM 0 HA ALA A 23 -12.137 -1.817 5.583 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -12.188 -2.933 3.384 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -13.351 -1.589 3.477 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.819 -1.381 2.597 1.00 0.00 H new ATOM 357 N PHE A 24 -9.296 -0.893 5.220 1.00 0.00 N ATOM 358 CA PHE A 24 -7.873 -1.195 5.329 1.00 0.00 C ATOM 359 C PHE A 24 -7.634 -2.516 6.061 1.00 0.00 C ATOM 360 O PHE A 24 -6.817 -3.327 5.630 1.00 0.00 O ATOM 361 CB PHE A 24 -7.145 -0.070 6.059 1.00 0.00 C ATOM 362 CG PHE A 24 -5.689 0.002 5.712 1.00 0.00 C ATOM 363 CD1 PHE A 24 -4.820 -0.995 6.119 1.00 0.00 C ATOM 364 CD2 PHE A 24 -5.189 1.062 4.975 1.00 0.00 C ATOM 365 CE1 PHE A 24 -3.481 -0.938 5.798 1.00 0.00 C ATOM 366 CE2 PHE A 24 -3.850 1.126 4.651 1.00 0.00 C ATOM 367 CZ PHE A 24 -2.993 0.126 5.064 1.00 0.00 C ATOM 0 H PHE A 24 -9.551 0.051 5.510 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.480 -1.287 4.316 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -7.619 0.881 5.816 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.251 -0.213 7.134 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.196 -1.828 6.695 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -5.855 1.848 4.650 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.814 -1.724 6.120 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -3.472 1.958 4.075 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.943 0.175 4.814 1.00 0.00 H new ATOM 377 N GLU A 25 -8.342 -2.730 7.169 1.00 0.00 N ATOM 378 CA GLU A 25 -8.174 -3.963 7.942 1.00 0.00 C ATOM 379 C GLU A 25 -8.587 -5.191 7.127 1.00 0.00 C ATOM 380 O GLU A 25 -7.788 -6.111 6.976 1.00 0.00 O ATOM 381 CB GLU A 25 -8.968 -3.931 9.246 1.00 0.00 C ATOM 382 CG GLU A 25 -9.363 -2.536 9.704 1.00 0.00 C ATOM 383 CD GLU A 25 -10.143 -2.551 11.005 1.00 0.00 C ATOM 384 OE1 GLU A 25 -9.519 -2.750 12.068 1.00 0.00 O ATOM 385 OE2 GLU A 25 -11.378 -2.367 10.959 1.00 0.00 O ATOM 0 H GLU A 25 -9.028 -2.078 7.549 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.114 -4.034 8.184 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.871 -4.529 9.123 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.376 -4.404 10.030 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.465 -1.930 9.829 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.964 -2.059 8.929 1.00 0.00 H new ATOM 392 N PRO A 26 -9.847 -5.244 6.612 1.00 0.00 N ATOM 393 CA PRO A 26 -10.331 -6.371 5.804 1.00 0.00 C ATOM 394 C PRO A 26 -9.260 -6.935 4.877 1.00 0.00 C ATOM 395 O PRO A 26 -9.308 -8.101 4.489 1.00 0.00 O ATOM 396 CB PRO A 26 -11.460 -5.739 4.996 1.00 0.00 C ATOM 397 CG PRO A 26 -12.029 -4.691 5.893 1.00 0.00 C ATOM 398 CD PRO A 26 -10.908 -4.230 6.798 1.00 0.00 C ATOM 0 HA PRO A 26 -10.636 -7.219 6.418 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -11.088 -5.306 4.068 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -12.213 -6.478 4.723 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -12.423 -3.858 5.311 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -12.857 -5.091 6.478 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -10.559 -3.234 6.524 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -11.232 -4.179 7.838 1.00 0.00 H new ATOM 406 N LEU A 27 -8.294 -6.093 4.529 1.00 0.00 N ATOM 407 CA LEU A 27 -7.197 -6.490 3.666 1.00 0.00 C ATOM 408 C LEU A 27 -6.253 -7.408 4.425 1.00 0.00 C ATOM 409 O LEU A 27 -5.947 -8.517 3.983 1.00 0.00 O ATOM 410 CB LEU A 27 -6.447 -5.248 3.193 1.00 0.00 C ATOM 411 CG LEU A 27 -7.089 -4.504 2.020 1.00 0.00 C ATOM 412 CD1 LEU A 27 -6.339 -3.214 1.732 1.00 0.00 C ATOM 413 CD2 LEU A 27 -7.125 -5.388 0.781 1.00 0.00 C ATOM 0 H LEU A 27 -8.252 -5.122 4.837 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.591 -7.023 2.801 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.354 -4.558 4.032 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.437 -5.541 2.907 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.114 -4.253 2.293 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.810 -2.699 0.895 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.365 -2.573 2.614 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.303 -3.444 1.481 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.585 -4.842 -0.042 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.109 -5.671 0.506 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.707 -6.285 0.991 1.00 0.00 H new ATOM 425 N LEU A 28 -5.794 -6.927 5.573 1.00 0.00 N ATOM 426 CA LEU A 28 -4.898 -7.689 6.428 1.00 0.00 C ATOM 427 C LEU A 28 -5.628 -8.883 7.018 1.00 0.00 C ATOM 428 O LEU A 28 -5.018 -9.895 7.362 1.00 0.00 O ATOM 429 CB LEU A 28 -4.376 -6.806 7.559 1.00 0.00 C ATOM 430 CG LEU A 28 -3.953 -5.403 7.137 1.00 0.00 C ATOM 431 CD1 LEU A 28 -3.744 -4.522 8.357 1.00 0.00 C ATOM 432 CD2 LEU A 28 -2.689 -5.457 6.291 1.00 0.00 C ATOM 0 H LEU A 28 -6.031 -6.003 5.935 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.059 -8.040 5.827 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.150 -6.722 8.321 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.524 -7.302 8.024 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.750 -4.970 6.533 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.442 -3.524 8.038 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.674 -4.457 8.922 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.966 -4.952 8.987 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.403 -4.446 5.999 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.883 -5.910 6.869 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.874 -6.054 5.398 1.00 0.00 H new ATOM 444 N GLU A 29 -6.945 -8.751 7.133 1.00 0.00 N ATOM 445 CA GLU A 29 -7.770 -9.807 7.687 1.00 0.00 C ATOM 446 C GLU A 29 -7.711 -11.050 6.804 1.00 0.00 C ATOM 447 O GLU A 29 -7.638 -12.176 7.298 1.00 0.00 O ATOM 448 CB GLU A 29 -9.219 -9.335 7.826 1.00 0.00 C ATOM 449 CG GLU A 29 -9.392 -8.165 8.783 1.00 0.00 C ATOM 450 CD GLU A 29 -9.010 -8.514 10.207 1.00 0.00 C ATOM 451 OE1 GLU A 29 -7.816 -8.388 10.550 1.00 0.00 O ATOM 452 OE2 GLU A 29 -9.905 -8.912 10.982 1.00 0.00 O ATOM 0 H GLU A 29 -7.461 -7.919 6.848 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.385 -10.059 8.675 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.594 -9.048 6.844 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.832 -10.168 8.170 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.782 -7.329 8.442 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.430 -7.833 8.760 1.00 0.00 H new ATOM 459 N SER A 30 -7.742 -10.831 5.493 1.00 0.00 N ATOM 460 CA SER A 30 -7.698 -11.922 4.526 1.00 0.00 C ATOM 461 C SER A 30 -6.359 -12.654 4.566 1.00 0.00 C ATOM 462 O SER A 30 -6.232 -13.756 4.035 1.00 0.00 O ATOM 463 CB SER A 30 -7.961 -11.389 3.117 1.00 0.00 C ATOM 464 OG SER A 30 -9.228 -10.758 3.037 1.00 0.00 O ATOM 0 H SER A 30 -7.798 -9.902 5.075 1.00 0.00 H new ATOM 0 HA SER A 30 -8.478 -12.635 4.794 1.00 0.00 H new ATOM 0 HB2 SER A 30 -7.180 -10.680 2.842 1.00 0.00 H new ATOM 0 HB3 SER A 30 -7.914 -12.209 2.400 1.00 0.00 H new ATOM 0 HG SER A 30 -9.201 -9.907 3.522 1.00 0.00 H new ATOM 470 N LEU A 31 -5.361 -12.037 5.192 1.00 0.00 N ATOM 471 CA LEU A 31 -4.034 -12.641 5.287 1.00 0.00 C ATOM 472 C LEU A 31 -4.059 -13.882 6.173 1.00 0.00 C ATOM 473 O LEU A 31 -3.091 -14.643 6.218 1.00 0.00 O ATOM 474 CB LEU A 31 -3.023 -11.632 5.838 1.00 0.00 C ATOM 475 CG LEU A 31 -2.861 -10.352 5.015 1.00 0.00 C ATOM 476 CD1 LEU A 31 -1.864 -9.415 5.678 1.00 0.00 C ATOM 477 CD2 LEU A 31 -2.421 -10.677 3.595 1.00 0.00 C ATOM 0 H LEU A 31 -5.444 -11.124 5.639 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.731 -12.938 4.283 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.322 -11.358 6.850 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.052 -12.121 5.914 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.828 -9.852 4.968 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.761 -8.510 5.079 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.219 -9.152 6.675 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.896 -9.910 5.756 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.312 -9.753 3.027 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.466 -11.202 3.621 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.170 -11.310 3.118 1.00 0.00 H new ATOM 489 N SER A 32 -5.168 -14.082 6.877 1.00 0.00 N ATOM 490 CA SER A 32 -5.313 -15.231 7.763 1.00 0.00 C ATOM 491 C SER A 32 -6.091 -16.354 7.083 1.00 0.00 C ATOM 492 O SER A 32 -6.564 -17.280 7.743 1.00 0.00 O ATOM 493 CB SER A 32 -6.018 -14.814 9.055 1.00 0.00 C ATOM 494 OG SER A 32 -6.086 -15.894 9.973 1.00 0.00 O ATOM 0 H SER A 32 -5.979 -13.464 6.851 1.00 0.00 H new ATOM 0 HA SER A 32 -4.316 -15.602 8.002 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.485 -13.979 9.510 1.00 0.00 H new ATOM 0 HB3 SER A 32 -7.024 -14.463 8.827 1.00 0.00 H new ATOM 0 HG SER A 32 -6.260 -16.727 9.486 1.00 0.00 H new ATOM 500 N ASN A 33 -6.217 -16.271 5.762 1.00 0.00 N ATOM 501 CA ASN A 33 -6.942 -17.286 5.003 1.00 0.00 C ATOM 502 C ASN A 33 -6.026 -18.450 4.625 1.00 0.00 C ATOM 503 O ASN A 33 -4.822 -18.275 4.445 1.00 0.00 O ATOM 504 CB ASN A 33 -7.565 -16.670 3.746 1.00 0.00 C ATOM 505 CG ASN A 33 -6.555 -16.406 2.643 1.00 0.00 C ATOM 506 OD1 ASN A 33 -6.901 -16.412 1.462 1.00 0.00 O ATOM 507 ND2 ASN A 33 -5.301 -16.175 3.016 1.00 0.00 N ATOM 0 H ASN A 33 -5.829 -15.516 5.197 1.00 0.00 H new ATOM 0 HA ASN A 33 -7.739 -17.674 5.637 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -8.339 -17.338 3.368 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -8.054 -15.733 4.013 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -4.585 -15.994 2.313 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -5.054 -16.179 4.006 1.00 0.00 H new ATOM 514 N GLU A 34 -6.607 -19.641 4.519 1.00 0.00 N ATOM 515 CA GLU A 34 -5.853 -20.832 4.163 1.00 0.00 C ATOM 516 C GLU A 34 -5.358 -20.755 2.723 1.00 0.00 C ATOM 517 O GLU A 34 -4.251 -21.195 2.411 1.00 0.00 O ATOM 518 CB GLU A 34 -6.727 -22.071 4.351 1.00 0.00 C ATOM 519 CG GLU A 34 -5.998 -23.369 4.065 1.00 0.00 C ATOM 520 CD GLU A 34 -6.868 -24.590 4.288 1.00 0.00 C ATOM 521 OE1 GLU A 34 -6.882 -25.110 5.424 1.00 0.00 O ATOM 522 OE2 GLU A 34 -7.536 -25.027 3.327 1.00 0.00 O ATOM 0 H GLU A 34 -7.602 -19.804 4.676 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.984 -20.899 4.817 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.102 -22.091 5.374 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -7.595 -21.998 3.695 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.645 -23.363 3.034 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.117 -23.434 4.703 1.00 0.00 H new ATOM 529 N ASP A 35 -6.188 -20.195 1.850 1.00 0.00 N ATOM 530 CA ASP A 35 -5.841 -20.062 0.440 1.00 0.00 C ATOM 531 C ASP A 35 -4.845 -18.926 0.228 1.00 0.00 C ATOM 532 O ASP A 35 -4.733 -18.024 1.057 1.00 0.00 O ATOM 533 CB ASP A 35 -7.099 -19.812 -0.395 1.00 0.00 C ATOM 534 CG ASP A 35 -8.126 -20.917 -0.238 1.00 0.00 C ATOM 535 OD1 ASP A 35 -8.944 -20.839 0.703 1.00 0.00 O ATOM 536 OD2 ASP A 35 -8.112 -21.862 -1.054 1.00 0.00 O ATOM 0 H ASP A 35 -7.107 -19.826 2.094 1.00 0.00 H new ATOM 0 HA ASP A 35 -5.377 -20.994 0.118 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.544 -18.862 -0.101 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -6.823 -19.723 -1.446 1.00 0.00 H new ATOM 541 N TRP A 36 -4.122 -18.981 -0.885 1.00 0.00 N ATOM 542 CA TRP A 36 -3.137 -17.956 -1.208 1.00 0.00 C ATOM 543 C TRP A 36 -3.640 -17.049 -2.326 1.00 0.00 C ATOM 544 O TRP A 36 -3.166 -15.925 -2.487 1.00 0.00 O ATOM 545 CB TRP A 36 -1.809 -18.600 -1.613 1.00 0.00 C ATOM 546 CG TRP A 36 -1.969 -19.775 -2.529 1.00 0.00 C ATOM 547 CD1 TRP A 36 -2.417 -19.759 -3.820 1.00 0.00 C ATOM 548 CD2 TRP A 36 -1.681 -21.143 -2.223 1.00 0.00 C ATOM 549 NE1 TRP A 36 -2.423 -21.034 -4.332 1.00 0.00 N ATOM 550 CE2 TRP A 36 -1.975 -21.900 -3.371 1.00 0.00 C ATOM 551 CE3 TRP A 36 -1.200 -21.802 -1.088 1.00 0.00 C ATOM 552 CZ2 TRP A 36 -1.806 -23.280 -3.419 1.00 0.00 C ATOM 553 CZ3 TRP A 36 -1.032 -23.173 -1.136 1.00 0.00 C ATOM 554 CH2 TRP A 36 -1.334 -23.898 -2.296 1.00 0.00 C ATOM 0 H TRP A 36 -4.200 -19.725 -1.579 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.979 -17.349 -0.317 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -1.185 -17.851 -2.101 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -1.280 -18.919 -0.715 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -2.722 -18.874 -4.359 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -2.714 -21.293 -5.275 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -0.964 -21.250 -0.190 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -2.039 -23.842 -4.311 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.662 -23.694 -0.265 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -1.191 -24.968 -2.303 1.00 0.00 H new ATOM 565 N ARG A 37 -4.605 -17.544 -3.096 1.00 0.00 N ATOM 566 CA ARG A 37 -5.174 -16.777 -4.197 1.00 0.00 C ATOM 567 C ARG A 37 -5.900 -15.543 -3.678 1.00 0.00 C ATOM 568 O ARG A 37 -5.653 -14.427 -4.137 1.00 0.00 O ATOM 569 CB ARG A 37 -6.134 -17.646 -5.009 1.00 0.00 C ATOM 570 CG ARG A 37 -5.521 -18.957 -5.469 1.00 0.00 C ATOM 571 CD ARG A 37 -6.439 -19.689 -6.435 1.00 0.00 C ATOM 572 NE ARG A 37 -6.736 -18.887 -7.621 1.00 0.00 N ATOM 573 CZ ARG A 37 -7.848 -19.014 -8.339 1.00 0.00 C ATOM 574 NH1 ARG A 37 -8.764 -19.911 -7.995 1.00 0.00 N ATOM 575 NH2 ARG A 37 -8.046 -18.243 -9.401 1.00 0.00 N ATOM 0 H ARG A 37 -5.009 -18.473 -2.977 1.00 0.00 H new ATOM 0 HA ARG A 37 -4.358 -16.452 -4.842 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -7.017 -17.858 -4.407 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -6.470 -17.085 -5.881 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -4.563 -18.763 -5.951 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -5.321 -19.590 -4.605 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -5.973 -20.626 -6.738 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -7.369 -19.945 -5.928 1.00 0.00 H new ATOM 0 HE ARG A 37 -6.051 -18.190 -7.914 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -8.616 -20.504 -7.179 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -9.616 -20.007 -8.547 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -7.345 -17.552 -9.667 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -8.899 -18.342 -9.951 1.00 0.00 H new ATOM 589 N ILE A 38 -6.795 -15.749 -2.718 1.00 0.00 N ATOM 590 CA ILE A 38 -7.550 -14.650 -2.132 1.00 0.00 C ATOM 591 C ILE A 38 -6.611 -13.667 -1.443 1.00 0.00 C ATOM 592 O ILE A 38 -6.792 -12.452 -1.529 1.00 0.00 O ATOM 593 CB ILE A 38 -8.588 -15.155 -1.113 1.00 0.00 C ATOM 594 CG1 ILE A 38 -9.436 -16.272 -1.729 1.00 0.00 C ATOM 595 CG2 ILE A 38 -9.470 -14.006 -0.643 1.00 0.00 C ATOM 596 CD1 ILE A 38 -10.383 -16.929 -0.747 1.00 0.00 C ATOM 0 H ILE A 38 -7.015 -16.666 -2.330 1.00 0.00 H new ATOM 0 HA ILE A 38 -8.076 -14.150 -2.945 1.00 0.00 H new ATOM 0 HB ILE A 38 -8.063 -15.560 -0.248 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -10.013 -15.863 -2.558 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -8.774 -17.031 -2.145 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -10.199 -14.378 0.077 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -8.852 -13.242 -0.172 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -9.991 -13.575 -1.497 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -10.950 -17.709 -1.255 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -9.812 -17.369 0.071 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -11.070 -16.182 -0.349 1.00 0.00 H new ATOM 608 N ARG A 39 -5.608 -14.207 -0.757 1.00 0.00 N ATOM 609 CA ARG A 39 -4.628 -13.387 -0.056 1.00 0.00 C ATOM 610 C ARG A 39 -3.844 -12.528 -1.044 1.00 0.00 C ATOM 611 O ARG A 39 -3.257 -11.511 -0.672 1.00 0.00 O ATOM 612 CB ARG A 39 -3.671 -14.276 0.741 1.00 0.00 C ATOM 613 CG ARG A 39 -2.812 -13.511 1.734 1.00 0.00 C ATOM 614 CD ARG A 39 -1.732 -14.394 2.341 1.00 0.00 C ATOM 615 NE ARG A 39 -2.290 -15.424 3.213 1.00 0.00 N ATOM 616 CZ ARG A 39 -1.551 -16.306 3.883 1.00 0.00 C ATOM 617 NH1 ARG A 39 -0.229 -16.291 3.773 1.00 0.00 N ATOM 618 NH2 ARG A 39 -2.132 -17.205 4.663 1.00 0.00 N ATOM 0 H ARG A 39 -5.453 -15.212 -0.672 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.157 -12.729 0.633 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.249 -15.028 1.278 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.021 -14.809 0.047 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.348 -12.660 1.234 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.443 -13.110 2.527 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.160 -14.867 1.543 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.036 -13.776 2.909 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.304 -15.470 3.315 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.225 -15.602 3.173 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.333 -16.968 4.288 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.148 -17.223 4.752 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.563 -17.879 5.175 1.00 0.00 H new ATOM 632 N GLY A 40 -3.842 -12.949 -2.307 1.00 0.00 N ATOM 633 CA GLY A 40 -3.130 -12.214 -3.337 1.00 0.00 C ATOM 634 C GLY A 40 -3.667 -10.809 -3.525 1.00 0.00 C ATOM 635 O GLY A 40 -2.961 -9.834 -3.276 1.00 0.00 O ATOM 0 H GLY A 40 -4.322 -13.787 -2.635 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.073 -12.163 -3.077 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.201 -12.756 -4.280 1.00 0.00 H new ATOM 639 N ALA A 41 -4.918 -10.710 -3.970 1.00 0.00 N ATOM 640 CA ALA A 41 -5.562 -9.418 -4.193 1.00 0.00 C ATOM 641 C ALA A 41 -5.321 -8.464 -3.026 1.00 0.00 C ATOM 642 O ALA A 41 -5.161 -7.259 -3.222 1.00 0.00 O ATOM 643 CB ALA A 41 -7.053 -9.607 -4.424 1.00 0.00 C ATOM 0 H ALA A 41 -5.508 -11.514 -4.184 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.118 -8.972 -5.083 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.522 -8.637 -4.589 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.208 -10.238 -5.299 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.499 -10.082 -3.550 1.00 0.00 H new ATOM 649 N ALA A 42 -5.298 -9.007 -1.812 1.00 0.00 N ATOM 650 CA ALA A 42 -5.064 -8.197 -0.622 1.00 0.00 C ATOM 651 C ALA A 42 -3.693 -7.535 -0.693 1.00 0.00 C ATOM 652 O ALA A 42 -3.556 -6.336 -0.458 1.00 0.00 O ATOM 653 CB ALA A 42 -5.177 -9.050 0.633 1.00 0.00 C ATOM 0 H ALA A 42 -5.438 -10.000 -1.627 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.824 -7.417 -0.579 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.000 -8.430 1.512 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.176 -9.483 0.690 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.437 -9.849 0.598 1.00 0.00 H new ATOM 659 N ALA A 43 -2.685 -8.334 -1.024 1.00 0.00 N ATOM 660 CA ALA A 43 -1.314 -7.850 -1.144 1.00 0.00 C ATOM 661 C ALA A 43 -1.160 -6.928 -2.351 1.00 0.00 C ATOM 662 O ALA A 43 -0.346 -6.006 -2.345 1.00 0.00 O ATOM 663 CB ALA A 43 -0.370 -9.030 -1.283 1.00 0.00 C ATOM 0 H ALA A 43 -2.793 -9.330 -1.216 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.071 -7.283 -0.246 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.654 -8.668 -1.373 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.454 -9.668 -0.403 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.632 -9.602 -2.173 1.00 0.00 H new ATOM 669 N TRP A 44 -1.957 -7.190 -3.383 1.00 0.00 N ATOM 670 CA TRP A 44 -1.912 -6.417 -4.622 1.00 0.00 C ATOM 671 C TRP A 44 -2.466 -5.002 -4.450 1.00 0.00 C ATOM 672 O TRP A 44 -1.987 -4.064 -5.087 1.00 0.00 O ATOM 673 CB TRP A 44 -2.681 -7.164 -5.717 1.00 0.00 C ATOM 674 CG TRP A 44 -1.861 -8.235 -6.371 1.00 0.00 C ATOM 675 CD1 TRP A 44 -1.252 -9.287 -5.754 1.00 0.00 C ATOM 676 CD2 TRP A 44 -1.557 -8.356 -7.766 1.00 0.00 C ATOM 677 NE1 TRP A 44 -0.575 -10.048 -6.675 1.00 0.00 N ATOM 678 CE2 TRP A 44 -0.750 -9.501 -7.919 1.00 0.00 C ATOM 679 CE3 TRP A 44 -1.886 -7.609 -8.899 1.00 0.00 C ATOM 680 CZ2 TRP A 44 -0.268 -9.914 -9.157 1.00 0.00 C ATOM 681 CZ3 TRP A 44 -1.408 -8.021 -10.130 1.00 0.00 C ATOM 682 CH2 TRP A 44 -0.607 -9.164 -10.251 1.00 0.00 C ATOM 0 H TRP A 44 -2.649 -7.940 -3.385 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.866 -6.310 -4.909 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -3.577 -7.610 -5.286 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -3.012 -6.452 -6.473 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.296 -9.492 -4.695 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.030 -10.885 -6.467 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -2.502 -6.726 -8.816 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 0.351 -10.794 -9.252 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -1.657 -7.452 -11.013 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.250 -9.459 -11.227 1.00 0.00 H new ATOM 693 N ILE A 45 -3.471 -4.848 -3.592 1.00 0.00 N ATOM 694 CA ILE A 45 -4.082 -3.540 -3.361 1.00 0.00 C ATOM 695 C ILE A 45 -3.524 -2.875 -2.101 1.00 0.00 C ATOM 696 O ILE A 45 -3.630 -1.660 -1.929 1.00 0.00 O ATOM 697 CB ILE A 45 -5.614 -3.656 -3.234 1.00 0.00 C ATOM 698 CG1 ILE A 45 -6.183 -4.477 -4.396 1.00 0.00 C ATOM 699 CG2 ILE A 45 -6.250 -2.273 -3.199 1.00 0.00 C ATOM 700 CD1 ILE A 45 -7.655 -4.797 -4.253 1.00 0.00 C ATOM 0 H ILE A 45 -3.879 -5.608 -3.047 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.838 -2.922 -4.225 1.00 0.00 H new ATOM 0 HB ILE A 45 -5.848 -4.167 -2.300 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.028 -3.930 -5.326 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.624 -5.409 -4.478 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -7.332 -2.372 -3.109 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -5.864 -1.717 -2.345 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.010 -1.739 -4.118 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.986 -5.380 -5.113 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -7.815 -5.372 -3.341 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -8.226 -3.870 -4.202 1.00 0.00 H new ATOM 712 N ILE A 46 -2.928 -3.679 -1.231 1.00 0.00 N ATOM 713 CA ILE A 46 -2.366 -3.185 0.023 1.00 0.00 C ATOM 714 C ILE A 46 -1.338 -2.068 -0.197 1.00 0.00 C ATOM 715 O ILE A 46 -1.253 -1.134 0.601 1.00 0.00 O ATOM 716 CB ILE A 46 -1.729 -4.350 0.824 1.00 0.00 C ATOM 717 CG1 ILE A 46 -2.538 -4.618 2.095 1.00 0.00 C ATOM 718 CG2 ILE A 46 -0.271 -4.068 1.163 1.00 0.00 C ATOM 719 CD1 ILE A 46 -2.221 -5.948 2.743 1.00 0.00 C ATOM 0 H ILE A 46 -2.820 -4.684 -1.371 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.189 -2.758 0.597 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.750 -5.241 0.196 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.348 -3.819 2.812 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.600 -4.584 1.854 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.141 -4.907 1.724 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.297 -3.933 0.243 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.206 -3.162 1.765 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.831 -6.071 3.638 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.437 -6.755 2.043 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.166 -5.978 3.016 1.00 0.00 H new ATOM 731 N GLY A 47 -0.567 -2.165 -1.275 1.00 0.00 N ATOM 732 CA GLY A 47 0.451 -1.161 -1.550 1.00 0.00 C ATOM 733 C GLY A 47 -0.116 0.169 -2.005 1.00 0.00 C ATOM 734 O GLY A 47 0.571 1.189 -1.950 1.00 0.00 O ATOM 0 H GLY A 47 -0.626 -2.917 -1.962 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.047 -1.004 -0.651 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.126 -1.540 -2.317 1.00 0.00 H new ATOM 738 N ASN A 48 -1.363 0.169 -2.458 1.00 0.00 N ATOM 739 CA ASN A 48 -1.999 1.394 -2.920 1.00 0.00 C ATOM 740 C ASN A 48 -2.019 2.451 -1.820 1.00 0.00 C ATOM 741 O ASN A 48 -1.903 3.645 -2.094 1.00 0.00 O ATOM 742 CB ASN A 48 -3.418 1.101 -3.399 1.00 0.00 C ATOM 743 CG ASN A 48 -3.444 0.552 -4.813 1.00 0.00 C ATOM 744 OD1 ASN A 48 -3.620 1.296 -5.776 1.00 0.00 O ATOM 745 ND2 ASN A 48 -3.258 -0.757 -4.944 1.00 0.00 N ATOM 0 H ASN A 48 -1.951 -0.662 -2.515 1.00 0.00 H new ATOM 0 HA ASN A 48 -1.417 1.786 -3.754 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -3.887 0.385 -2.724 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.010 2.015 -3.355 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.258 -1.182 -5.871 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.116 -1.337 -4.117 1.00 0.00 H new ATOM 752 N PHE A 49 -2.164 2.008 -0.574 1.00 0.00 N ATOM 753 CA PHE A 49 -2.189 2.920 0.560 1.00 0.00 C ATOM 754 C PHE A 49 -0.798 3.069 1.172 1.00 0.00 C ATOM 755 O PHE A 49 -0.208 2.099 1.647 1.00 0.00 O ATOM 756 CB PHE A 49 -3.178 2.423 1.616 1.00 0.00 C ATOM 757 CG PHE A 49 -4.503 2.000 1.046 1.00 0.00 C ATOM 758 CD1 PHE A 49 -5.217 2.846 0.211 1.00 0.00 C ATOM 759 CD2 PHE A 49 -5.033 0.756 1.345 1.00 0.00 C ATOM 760 CE1 PHE A 49 -6.434 2.457 -0.314 1.00 0.00 C ATOM 761 CE2 PHE A 49 -6.250 0.363 0.823 1.00 0.00 C ATOM 762 CZ PHE A 49 -6.950 1.215 -0.008 1.00 0.00 C ATOM 0 H PHE A 49 -2.266 1.024 -0.327 1.00 0.00 H new ATOM 0 HA PHE A 49 -2.512 3.898 0.203 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -2.736 1.581 2.149 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -3.342 3.213 2.349 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.817 3.820 -0.031 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.489 0.086 1.994 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -6.981 3.125 -0.963 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -6.653 -0.609 1.065 1.00 0.00 H new ATOM 0 HZ PHE A 49 -7.901 0.909 -0.418 1.00 0.00 H new ATOM 772 N GLN A 50 -0.283 4.295 1.152 1.00 0.00 N ATOM 773 CA GLN A 50 1.040 4.594 1.703 1.00 0.00 C ATOM 774 C GLN A 50 1.043 4.546 3.230 1.00 0.00 C ATOM 775 O GLN A 50 1.922 5.123 3.871 1.00 0.00 O ATOM 776 CB GLN A 50 1.501 5.978 1.241 1.00 0.00 C ATOM 777 CG GLN A 50 1.590 6.125 -0.267 1.00 0.00 C ATOM 778 CD GLN A 50 1.602 7.577 -0.709 1.00 0.00 C ATOM 779 OE1 GLN A 50 1.076 8.450 -0.019 1.00 0.00 O ATOM 780 NE2 GLN A 50 2.192 7.840 -1.869 1.00 0.00 N ATOM 0 H GLN A 50 -0.764 5.104 0.758 1.00 0.00 H new ATOM 0 HA GLN A 50 1.726 3.830 1.336 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.812 6.728 1.629 1.00 0.00 H new ATOM 0 HB3 GLN A 50 2.479 6.188 1.675 1.00 0.00 H new ATOM 0 HG2 GLN A 50 2.494 5.632 -0.624 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.745 5.615 -0.729 1.00 0.00 H new ATOM 0 HE21 GLN A 50 2.616 7.085 -2.408 1.00 0.00 H new ATOM 0 HE22 GLN A 50 2.222 8.797 -2.221 1.00 0.00 H new ATOM 789 N ASP A 51 0.067 3.858 3.813 1.00 0.00 N ATOM 790 CA ASP A 51 -0.022 3.747 5.264 1.00 0.00 C ATOM 791 C ASP A 51 0.874 2.621 5.771 1.00 0.00 C ATOM 792 O ASP A 51 0.922 1.541 5.182 1.00 0.00 O ATOM 793 CB ASP A 51 -1.471 3.508 5.691 1.00 0.00 C ATOM 794 CG ASP A 51 -1.654 3.585 7.194 1.00 0.00 C ATOM 795 OD1 ASP A 51 -0.967 4.409 7.835 1.00 0.00 O ATOM 796 OD2 ASP A 51 -2.482 2.820 7.730 1.00 0.00 O ATOM 0 H ASP A 51 -0.671 3.371 3.305 1.00 0.00 H new ATOM 0 HA ASP A 51 0.321 4.684 5.703 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.114 4.246 5.212 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.793 2.528 5.339 1.00 0.00 H new ATOM 801 N GLU A 52 1.582 2.883 6.866 1.00 0.00 N ATOM 802 CA GLU A 52 2.495 1.903 7.447 1.00 0.00 C ATOM 803 C GLU A 52 1.752 0.680 7.974 1.00 0.00 C ATOM 804 O GLU A 52 2.372 -0.322 8.328 1.00 0.00 O ATOM 805 CB GLU A 52 3.308 2.544 8.573 1.00 0.00 C ATOM 806 CG GLU A 52 2.477 2.922 9.788 1.00 0.00 C ATOM 807 CD GLU A 52 2.399 1.806 10.812 1.00 0.00 C ATOM 808 OE1 GLU A 52 3.371 1.634 11.577 1.00 0.00 O ATOM 809 OE2 GLU A 52 1.365 1.106 10.851 1.00 0.00 O ATOM 0 H GLU A 52 1.541 3.769 7.370 1.00 0.00 H new ATOM 0 HA GLU A 52 3.167 1.570 6.656 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.093 1.853 8.881 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.802 3.437 8.190 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.905 3.809 10.255 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.470 3.186 9.467 1.00 0.00 H new ATOM 816 N ARG A 53 0.428 0.762 8.032 1.00 0.00 N ATOM 817 CA ARG A 53 -0.374 -0.352 8.524 1.00 0.00 C ATOM 818 C ARG A 53 -0.197 -1.577 7.633 1.00 0.00 C ATOM 819 O ARG A 53 -0.254 -2.713 8.105 1.00 0.00 O ATOM 820 CB ARG A 53 -1.853 0.038 8.602 1.00 0.00 C ATOM 821 CG ARG A 53 -2.739 -1.058 9.172 1.00 0.00 C ATOM 822 CD ARG A 53 -4.020 -0.493 9.761 1.00 0.00 C ATOM 823 NE ARG A 53 -4.826 -1.527 10.402 1.00 0.00 N ATOM 824 CZ ARG A 53 -5.236 -1.468 11.665 1.00 0.00 C ATOM 825 NH1 ARG A 53 -4.910 -0.431 12.426 1.00 0.00 N ATOM 826 NH2 ARG A 53 -5.968 -2.450 12.172 1.00 0.00 N ATOM 0 H ARG A 53 -0.109 1.581 7.747 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.029 -0.600 9.528 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.953 0.932 9.217 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.206 0.297 7.604 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.984 -1.774 8.387 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.194 -1.604 9.942 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -3.775 0.280 10.489 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.602 -0.015 8.973 1.00 0.00 H new ATOM 0 HE ARG A 53 -5.090 -2.342 9.849 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.343 0.325 12.042 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.227 -0.390 13.395 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -6.217 -3.252 11.593 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -6.282 -2.404 13.141 1.00 0.00 H new ATOM 840 N ALA A 54 0.018 -1.337 6.343 1.00 0.00 N ATOM 841 CA ALA A 54 0.203 -2.422 5.385 1.00 0.00 C ATOM 842 C ALA A 54 1.668 -2.570 4.980 1.00 0.00 C ATOM 843 O ALA A 54 1.973 -3.162 3.944 1.00 0.00 O ATOM 844 CB ALA A 54 -0.658 -2.186 4.155 1.00 0.00 C ATOM 0 H ALA A 54 0.068 -0.402 5.937 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.105 -3.349 5.868 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.512 -3.002 3.447 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.707 -2.143 4.448 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.373 -1.244 3.687 1.00 0.00 H new ATOM 850 N VAL A 55 2.571 -2.042 5.799 1.00 0.00 N ATOM 851 CA VAL A 55 3.998 -2.124 5.510 1.00 0.00 C ATOM 852 C VAL A 55 4.521 -3.537 5.748 1.00 0.00 C ATOM 853 O VAL A 55 5.360 -4.035 4.995 1.00 0.00 O ATOM 854 CB VAL A 55 4.810 -1.123 6.362 1.00 0.00 C ATOM 855 CG1 VAL A 55 5.009 -1.632 7.783 1.00 0.00 C ATOM 856 CG2 VAL A 55 6.146 -0.820 5.702 1.00 0.00 C ATOM 0 H VAL A 55 2.342 -1.554 6.665 1.00 0.00 H new ATOM 0 HA VAL A 55 4.126 -1.866 4.459 1.00 0.00 H new ATOM 0 HB VAL A 55 4.238 -0.197 6.424 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.584 -0.903 8.354 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.038 -1.779 8.256 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.548 -2.579 7.758 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.704 -0.113 6.317 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.718 -1.742 5.599 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.975 -0.387 4.716 1.00 0.00 H new ATOM 866 N GLU A 56 4.020 -4.175 6.801 1.00 0.00 N ATOM 867 CA GLU A 56 4.432 -5.531 7.145 1.00 0.00 C ATOM 868 C GLU A 56 4.120 -6.520 6.014 1.00 0.00 C ATOM 869 O GLU A 56 5.010 -7.248 5.578 1.00 0.00 O ATOM 870 CB GLU A 56 3.777 -5.984 8.453 1.00 0.00 C ATOM 871 CG GLU A 56 3.974 -7.461 8.747 1.00 0.00 C ATOM 872 CD GLU A 56 3.740 -7.801 10.207 1.00 0.00 C ATOM 873 OE1 GLU A 56 4.707 -7.738 10.994 1.00 0.00 O ATOM 874 OE2 GLU A 56 2.588 -8.128 10.562 1.00 0.00 O ATOM 0 H GLU A 56 3.327 -3.773 7.432 1.00 0.00 H new ATOM 0 HA GLU A 56 5.513 -5.519 7.286 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.186 -5.400 9.277 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.709 -5.769 8.409 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.293 -8.045 8.128 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.987 -7.751 8.468 1.00 0.00 H new ATOM 881 N PRO A 57 2.855 -6.572 5.531 1.00 0.00 N ATOM 882 CA PRO A 57 2.462 -7.479 4.448 1.00 0.00 C ATOM 883 C PRO A 57 3.530 -7.601 3.369 1.00 0.00 C ATOM 884 O PRO A 57 3.970 -8.699 3.041 1.00 0.00 O ATOM 885 CB PRO A 57 1.212 -6.807 3.888 1.00 0.00 C ATOM 886 CG PRO A 57 0.584 -6.148 5.068 1.00 0.00 C ATOM 887 CD PRO A 57 1.710 -5.761 5.996 1.00 0.00 C ATOM 0 HA PRO A 57 2.306 -8.499 4.799 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.464 -6.081 3.115 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.539 -7.535 3.435 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.014 -5.270 4.764 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.112 -6.824 5.564 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.927 -4.694 5.937 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.463 -5.979 7.035 1.00 0.00 H new ATOM 895 N LEU A 58 3.963 -6.462 2.847 1.00 0.00 N ATOM 896 CA LEU A 58 4.975 -6.434 1.799 1.00 0.00 C ATOM 897 C LEU A 58 6.240 -7.171 2.224 1.00 0.00 C ATOM 898 O LEU A 58 6.769 -7.997 1.481 1.00 0.00 O ATOM 899 CB LEU A 58 5.315 -4.988 1.437 1.00 0.00 C ATOM 900 CG LEU A 58 4.114 -4.050 1.305 1.00 0.00 C ATOM 901 CD1 LEU A 58 4.545 -2.711 0.733 1.00 0.00 C ATOM 902 CD2 LEU A 58 3.032 -4.679 0.440 1.00 0.00 C ATOM 0 H LEU A 58 3.628 -5.542 3.133 1.00 0.00 H new ATOM 0 HA LEU A 58 4.565 -6.942 0.926 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.986 -4.588 2.197 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.863 -4.985 0.495 1.00 0.00 H new ATOM 0 HG LEU A 58 3.700 -3.882 2.299 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.678 -2.056 0.646 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.281 -2.253 1.394 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.986 -2.861 -0.252 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.187 -3.995 0.359 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.432 -4.880 -0.554 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.701 -5.613 0.894 1.00 0.00 H new ATOM 914 N ILE A 59 6.720 -6.865 3.424 1.00 0.00 N ATOM 915 CA ILE A 59 7.930 -7.487 3.949 1.00 0.00 C ATOM 916 C ILE A 59 7.801 -9.010 4.010 1.00 0.00 C ATOM 917 O ILE A 59 8.633 -9.733 3.460 1.00 0.00 O ATOM 918 CB ILE A 59 8.265 -6.937 5.353 1.00 0.00 C ATOM 919 CG1 ILE A 59 8.484 -5.418 5.292 1.00 0.00 C ATOM 920 CG2 ILE A 59 9.489 -7.638 5.928 1.00 0.00 C ATOM 921 CD1 ILE A 59 9.711 -5.003 4.503 1.00 0.00 C ATOM 0 H ILE A 59 6.288 -6.188 4.053 1.00 0.00 H new ATOM 0 HA ILE A 59 8.741 -7.239 3.264 1.00 0.00 H new ATOM 0 HB ILE A 59 7.421 -7.137 6.014 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.604 -4.952 4.848 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.570 -5.033 6.308 1.00 0.00 H new ATOM 0 HG21 ILE A 59 9.708 -7.236 6.917 1.00 0.00 H new ATOM 0 HG22 ILE A 59 9.293 -8.707 6.007 1.00 0.00 H new ATOM 0 HG23 ILE A 59 10.344 -7.473 5.272 1.00 0.00 H new ATOM 0 HD11 ILE A 59 9.796 -3.916 4.507 1.00 0.00 H new ATOM 0 HD12 ILE A 59 10.601 -5.438 4.958 1.00 0.00 H new ATOM 0 HD13 ILE A 59 9.620 -5.356 3.476 1.00 0.00 H new ATOM 933 N LYS A 60 6.757 -9.489 4.677 1.00 0.00 N ATOM 934 CA LYS A 60 6.520 -10.926 4.821 1.00 0.00 C ATOM 935 C LYS A 60 6.113 -11.577 3.499 1.00 0.00 C ATOM 936 O LYS A 60 6.088 -12.802 3.386 1.00 0.00 O ATOM 937 CB LYS A 60 5.430 -11.174 5.866 1.00 0.00 C ATOM 938 CG LYS A 60 5.691 -10.491 7.199 1.00 0.00 C ATOM 939 CD LYS A 60 6.892 -11.093 7.911 1.00 0.00 C ATOM 940 CE LYS A 60 7.149 -10.407 9.241 1.00 0.00 C ATOM 941 NZ LYS A 60 7.298 -8.933 9.086 1.00 0.00 N ATOM 0 H LYS A 60 6.056 -8.902 5.130 1.00 0.00 H new ATOM 0 HA LYS A 60 7.458 -11.379 5.143 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.475 -10.826 5.471 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.335 -12.247 6.031 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.860 -9.427 7.036 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.809 -10.580 7.833 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.724 -12.157 8.075 1.00 0.00 H new ATOM 0 HD3 LYS A 60 7.775 -11.004 7.278 1.00 0.00 H new ATOM 0 HE2 LYS A 60 6.326 -10.619 9.924 1.00 0.00 H new ATOM 0 HE3 LYS A 60 8.052 -10.818 9.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 8.162 -8.618 9.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 7.363 -8.695 8.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 6.473 -8.455 9.502 1.00 0.00 H new ATOM 955 N LEU A 61 5.795 -10.757 2.503 1.00 0.00 N ATOM 956 CA LEU A 61 5.366 -11.264 1.199 1.00 0.00 C ATOM 957 C LEU A 61 6.542 -11.534 0.267 1.00 0.00 C ATOM 958 O LEU A 61 6.606 -12.588 -0.366 1.00 0.00 O ATOM 959 CB LEU A 61 4.404 -10.270 0.549 1.00 0.00 C ATOM 960 CG LEU A 61 2.910 -10.533 0.784 1.00 0.00 C ATOM 961 CD1 LEU A 61 2.659 -11.205 2.130 1.00 0.00 C ATOM 962 CD2 LEU A 61 2.132 -9.233 0.693 1.00 0.00 C ATOM 0 H LEU A 61 5.825 -9.740 2.571 1.00 0.00 H new ATOM 0 HA LEU A 61 4.861 -12.215 1.368 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.640 -9.272 0.917 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.588 -10.265 -0.525 1.00 0.00 H new ATOM 0 HG LEU A 61 2.566 -11.215 0.006 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.590 -11.374 2.258 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.184 -12.160 2.164 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.023 -10.562 2.931 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.073 -9.430 0.861 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.496 -8.537 1.449 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.267 -8.797 -0.297 1.00 0.00 H new ATOM 974 N LEU A 62 7.463 -10.582 0.176 1.00 0.00 N ATOM 975 CA LEU A 62 8.631 -10.723 -0.687 1.00 0.00 C ATOM 976 C LEU A 62 9.412 -11.986 -0.341 1.00 0.00 C ATOM 977 O LEU A 62 10.233 -12.460 -1.124 1.00 0.00 O ATOM 978 CB LEU A 62 9.527 -9.491 -0.549 1.00 0.00 C ATOM 979 CG LEU A 62 8.823 -8.160 -0.814 1.00 0.00 C ATOM 980 CD1 LEU A 62 9.436 -7.053 0.029 1.00 0.00 C ATOM 981 CD2 LEU A 62 8.894 -7.806 -2.292 1.00 0.00 C ATOM 0 H LEU A 62 7.424 -9.702 0.690 1.00 0.00 H new ATOM 0 HA LEU A 62 8.293 -10.807 -1.720 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.944 -9.472 0.458 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.365 -9.588 -1.240 1.00 0.00 H new ATOM 0 HG LEU A 62 7.775 -8.264 -0.533 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.921 -6.114 -0.174 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.335 -7.302 1.085 1.00 0.00 H new ATOM 0 HD13 LEU A 62 10.492 -6.949 -0.219 1.00 0.00 H new ATOM 0 HD21 LEU A 62 8.388 -6.856 -2.463 1.00 0.00 H new ATOM 0 HD22 LEU A 62 9.937 -7.722 -2.596 1.00 0.00 H new ATOM 0 HD23 LEU A 62 8.408 -8.587 -2.877 1.00 0.00 H new ATOM 993 N GLU A 63 9.141 -12.525 0.840 1.00 0.00 N ATOM 994 CA GLU A 63 9.805 -13.732 1.309 1.00 0.00 C ATOM 995 C GLU A 63 8.836 -14.913 1.366 1.00 0.00 C ATOM 996 O GLU A 63 9.255 -16.060 1.517 1.00 0.00 O ATOM 997 CB GLU A 63 10.402 -13.476 2.690 1.00 0.00 C ATOM 998 CG GLU A 63 11.861 -13.053 2.657 1.00 0.00 C ATOM 999 CD GLU A 63 12.103 -11.852 1.762 1.00 0.00 C ATOM 1000 OE1 GLU A 63 11.952 -10.712 2.247 1.00 0.00 O ATOM 1001 OE2 GLU A 63 12.447 -12.054 0.578 1.00 0.00 O ATOM 0 H GLU A 63 8.460 -12.141 1.495 1.00 0.00 H new ATOM 0 HA GLU A 63 10.598 -13.987 0.606 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.820 -12.702 3.190 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.309 -14.382 3.290 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.190 -12.818 3.669 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.469 -13.888 2.310 1.00 0.00 H new ATOM 1008 N ASP A 64 7.541 -14.624 1.252 1.00 0.00 N ATOM 1009 CA ASP A 64 6.516 -15.665 1.292 1.00 0.00 C ATOM 1010 C ASP A 64 6.703 -16.656 0.151 1.00 0.00 C ATOM 1011 O ASP A 64 6.461 -17.854 0.301 1.00 0.00 O ATOM 1012 CB ASP A 64 5.118 -15.044 1.227 1.00 0.00 C ATOM 1013 CG ASP A 64 4.050 -15.972 1.768 1.00 0.00 C ATOM 1014 OD1 ASP A 64 3.924 -17.099 1.247 1.00 0.00 O ATOM 1015 OD2 ASP A 64 3.340 -15.572 2.715 1.00 0.00 O ATOM 0 H ASP A 64 7.177 -13.679 1.131 1.00 0.00 H new ATOM 0 HA ASP A 64 6.618 -16.203 2.235 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.109 -14.114 1.795 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.884 -14.788 0.193 1.00 0.00 H new ATOM 1020 N ASP A 65 7.138 -16.133 -0.981 1.00 0.00 N ATOM 1021 CA ASP A 65 7.377 -16.939 -2.176 1.00 0.00 C ATOM 1022 C ASP A 65 6.158 -17.786 -2.541 1.00 0.00 C ATOM 1023 O ASP A 65 6.296 -18.866 -3.118 1.00 0.00 O ATOM 1024 CB ASP A 65 8.597 -17.842 -1.971 1.00 0.00 C ATOM 1025 CG ASP A 65 9.870 -17.050 -1.742 1.00 0.00 C ATOM 1026 OD1 ASP A 65 10.333 -16.381 -2.690 1.00 0.00 O ATOM 1027 OD2 ASP A 65 10.405 -17.099 -0.614 1.00 0.00 O ATOM 0 H ASP A 65 7.337 -15.140 -1.103 1.00 0.00 H new ATOM 0 HA ASP A 65 7.568 -16.253 -3.002 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.421 -18.497 -1.118 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.723 -18.482 -2.844 1.00 0.00 H new ATOM 1032 N SER A 66 4.964 -17.292 -2.214 1.00 0.00 N ATOM 1033 CA SER A 66 3.735 -18.019 -2.519 1.00 0.00 C ATOM 1034 C SER A 66 3.275 -17.742 -3.948 1.00 0.00 C ATOM 1035 O SER A 66 2.292 -18.315 -4.416 1.00 0.00 O ATOM 1036 CB SER A 66 2.630 -17.636 -1.534 1.00 0.00 C ATOM 1037 OG SER A 66 1.435 -18.348 -1.803 1.00 0.00 O ATOM 0 H SER A 66 4.823 -16.399 -1.742 1.00 0.00 H new ATOM 0 HA SER A 66 3.944 -19.085 -2.424 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.959 -17.844 -0.516 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.440 -16.564 -1.595 1.00 0.00 H new ATOM 0 HG SER A 66 1.401 -18.583 -2.754 1.00 0.00 H new ATOM 1043 N GLY A 67 3.993 -16.858 -4.637 1.00 0.00 N ATOM 1044 CA GLY A 67 3.643 -16.519 -6.006 1.00 0.00 C ATOM 1045 C GLY A 67 2.735 -15.308 -6.088 1.00 0.00 C ATOM 1046 O GLY A 67 3.210 -14.179 -6.178 1.00 0.00 O ATOM 0 H GLY A 67 4.811 -16.371 -4.271 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.553 -16.326 -6.574 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.150 -17.371 -6.474 1.00 0.00 H new ATOM 1050 N PHE A 68 1.426 -15.539 -6.066 1.00 0.00 N ATOM 1051 CA PHE A 68 0.459 -14.447 -6.127 1.00 0.00 C ATOM 1052 C PHE A 68 0.681 -13.495 -4.958 1.00 0.00 C ATOM 1053 O PHE A 68 0.704 -12.276 -5.125 1.00 0.00 O ATOM 1054 CB PHE A 68 -0.969 -15.000 -6.080 1.00 0.00 C ATOM 1055 CG PHE A 68 -2.002 -14.150 -6.778 1.00 0.00 C ATOM 1056 CD1 PHE A 68 -1.985 -12.761 -6.688 1.00 0.00 C ATOM 1057 CD2 PHE A 68 -3.003 -14.751 -7.524 1.00 0.00 C ATOM 1058 CE1 PHE A 68 -2.945 -12.001 -7.330 1.00 0.00 C ATOM 1059 CE2 PHE A 68 -3.965 -13.994 -8.165 1.00 0.00 C ATOM 1060 CZ PHE A 68 -3.936 -12.618 -8.066 1.00 0.00 C ATOM 0 H PHE A 68 1.011 -16.469 -6.007 1.00 0.00 H new ATOM 0 HA PHE A 68 0.597 -13.907 -7.064 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.973 -15.993 -6.529 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.263 -15.120 -5.037 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.214 -12.272 -6.111 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -3.032 -15.828 -7.606 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.919 -10.924 -7.255 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -4.738 -14.479 -8.743 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.688 -12.024 -8.564 1.00 0.00 H new ATOM 1070 N VAL A 69 0.851 -14.072 -3.774 1.00 0.00 N ATOM 1071 CA VAL A 69 1.071 -13.297 -2.561 1.00 0.00 C ATOM 1072 C VAL A 69 2.439 -12.617 -2.575 1.00 0.00 C ATOM 1073 O VAL A 69 2.564 -11.452 -2.198 1.00 0.00 O ATOM 1074 CB VAL A 69 0.960 -14.187 -1.308 1.00 0.00 C ATOM 1075 CG1 VAL A 69 0.987 -13.343 -0.044 1.00 0.00 C ATOM 1076 CG2 VAL A 69 -0.302 -15.034 -1.366 1.00 0.00 C ATOM 0 H VAL A 69 0.840 -15.082 -3.629 1.00 0.00 H new ATOM 0 HA VAL A 69 0.296 -12.531 -2.528 1.00 0.00 H new ATOM 0 HB VAL A 69 1.820 -14.856 -1.285 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.907 -13.992 0.828 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.923 -12.786 0.002 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.150 -12.645 -0.055 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.364 -15.656 -0.473 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.175 -14.383 -1.416 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.273 -15.670 -2.250 1.00 0.00 H new ATOM 1086 N ARG A 70 3.458 -13.349 -3.015 1.00 0.00 N ATOM 1087 CA ARG A 70 4.815 -12.814 -3.073 1.00 0.00 C ATOM 1088 C ARG A 70 4.920 -11.698 -4.110 1.00 0.00 C ATOM 1089 O ARG A 70 5.214 -10.551 -3.774 1.00 0.00 O ATOM 1090 CB ARG A 70 5.811 -13.930 -3.397 1.00 0.00 C ATOM 1091 CG ARG A 70 7.249 -13.580 -3.053 1.00 0.00 C ATOM 1092 CD ARG A 70 8.154 -13.676 -4.269 1.00 0.00 C ATOM 1093 NE ARG A 70 7.896 -12.599 -5.218 1.00 0.00 N ATOM 1094 CZ ARG A 70 8.272 -11.339 -5.019 1.00 0.00 C ATOM 1095 NH1 ARG A 70 8.946 -11.009 -3.925 1.00 0.00 N ATOM 1096 NH2 ARG A 70 7.977 -10.409 -5.914 1.00 0.00 N ATOM 0 H ARG A 70 3.370 -14.313 -3.336 1.00 0.00 H new ATOM 0 HA ARG A 70 5.056 -12.395 -2.096 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.525 -14.830 -2.853 1.00 0.00 H new ATOM 0 HB3 ARG A 70 5.747 -14.166 -4.459 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.291 -12.570 -2.646 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.611 -14.252 -2.275 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.196 -13.640 -3.951 1.00 0.00 H new ATOM 0 HD3 ARG A 70 8.004 -14.638 -4.760 1.00 0.00 H new ATOM 0 HE ARG A 70 7.401 -12.824 -6.081 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.177 -11.723 -3.234 1.00 0.00 H new ATOM 0 HH12 ARG A 70 9.233 -10.042 -3.775 1.00 0.00 H new ATOM 0 HH21 ARG A 70 7.461 -10.659 -6.758 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.266 -9.443 -5.760 1.00 0.00 H new ATOM 1110 N SER A 71 4.682 -12.046 -5.373 1.00 0.00 N ATOM 1111 CA SER A 71 4.741 -11.080 -6.468 1.00 0.00 C ATOM 1112 C SER A 71 3.830 -9.888 -6.195 1.00 0.00 C ATOM 1113 O SER A 71 4.053 -8.794 -6.716 1.00 0.00 O ATOM 1114 CB SER A 71 4.341 -11.745 -7.787 1.00 0.00 C ATOM 1115 OG SER A 71 2.975 -12.120 -7.776 1.00 0.00 O ATOM 0 H SER A 71 4.445 -12.994 -5.664 1.00 0.00 H new ATOM 0 HA SER A 71 5.768 -10.722 -6.544 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.526 -11.060 -8.614 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.961 -12.625 -7.957 1.00 0.00 H new ATOM 0 HG SER A 71 2.864 -12.937 -7.246 1.00 0.00 H new ATOM 1121 N GLY A 72 2.806 -10.107 -5.378 1.00 0.00 N ATOM 1122 CA GLY A 72 1.876 -9.045 -5.051 1.00 0.00 C ATOM 1123 C GLY A 72 2.555 -7.854 -4.412 1.00 0.00 C ATOM 1124 O GLY A 72 2.155 -6.711 -4.631 1.00 0.00 O ATOM 0 H GLY A 72 2.604 -11.004 -4.936 1.00 0.00 H new ATOM 0 HA2 GLY A 72 1.364 -8.723 -5.958 1.00 0.00 H new ATOM 0 HA3 GLY A 72 1.114 -9.430 -4.374 1.00 0.00 H new ATOM 1128 N ALA A 73 3.577 -8.123 -3.612 1.00 0.00 N ATOM 1129 CA ALA A 73 4.316 -7.064 -2.941 1.00 0.00 C ATOM 1130 C ALA A 73 5.211 -6.312 -3.923 1.00 0.00 C ATOM 1131 O ALA A 73 5.326 -5.092 -3.854 1.00 0.00 O ATOM 1132 CB ALA A 73 5.148 -7.641 -1.804 1.00 0.00 C ATOM 0 H ALA A 73 3.913 -9.065 -3.412 1.00 0.00 H new ATOM 0 HA ALA A 73 3.596 -6.357 -2.529 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.696 -6.838 -1.310 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.491 -8.129 -1.084 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.853 -8.370 -2.203 1.00 0.00 H new ATOM 1138 N ALA A 74 5.815 -7.049 -4.854 1.00 0.00 N ATOM 1139 CA ALA A 74 6.716 -6.461 -5.845 1.00 0.00 C ATOM 1140 C ALA A 74 6.174 -5.150 -6.404 1.00 0.00 C ATOM 1141 O ALA A 74 6.918 -4.184 -6.577 1.00 0.00 O ATOM 1142 CB ALA A 74 6.959 -7.446 -6.978 1.00 0.00 C ATOM 0 H ALA A 74 5.696 -8.058 -4.943 1.00 0.00 H new ATOM 0 HA ALA A 74 7.657 -6.241 -5.342 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.631 -6.999 -7.711 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.409 -8.355 -6.579 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.011 -7.691 -7.457 1.00 0.00 H new ATOM 1148 N ARG A 75 4.878 -5.124 -6.682 1.00 0.00 N ATOM 1149 CA ARG A 75 4.235 -3.932 -7.221 1.00 0.00 C ATOM 1150 C ARG A 75 3.845 -2.962 -6.109 1.00 0.00 C ATOM 1151 O ARG A 75 3.849 -1.750 -6.304 1.00 0.00 O ATOM 1152 CB ARG A 75 2.991 -4.324 -8.024 1.00 0.00 C ATOM 1153 CG ARG A 75 2.135 -5.381 -7.340 1.00 0.00 C ATOM 1154 CD ARG A 75 0.853 -5.652 -8.113 1.00 0.00 C ATOM 1155 NE ARG A 75 1.101 -5.808 -9.543 1.00 0.00 N ATOM 1156 CZ ARG A 75 0.311 -5.308 -10.489 1.00 0.00 C ATOM 1157 NH1 ARG A 75 -0.772 -4.618 -10.157 1.00 0.00 N ATOM 1158 NH2 ARG A 75 0.604 -5.497 -11.767 1.00 0.00 N ATOM 0 H ARG A 75 4.250 -5.916 -6.543 1.00 0.00 H new ATOM 0 HA ARG A 75 4.949 -3.433 -7.875 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.386 -3.435 -8.198 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.301 -4.695 -9.001 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.705 -6.305 -7.245 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.889 -5.053 -6.330 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.380 -6.555 -7.726 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.153 -4.832 -7.954 1.00 0.00 H new ATOM 0 HE ARG A 75 1.928 -6.330 -9.833 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.001 -4.470 -9.174 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.376 -4.236 -10.885 1.00 0.00 H new ATOM 0 HH21 ARG A 75 1.436 -6.027 -12.027 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.003 -5.113 -12.492 1.00 0.00 H new ATOM 1172 N SER A 76 3.526 -3.509 -4.943 1.00 0.00 N ATOM 1173 CA SER A 76 3.107 -2.706 -3.797 1.00 0.00 C ATOM 1174 C SER A 76 4.197 -1.753 -3.305 1.00 0.00 C ATOM 1175 O SER A 76 3.925 -0.578 -3.056 1.00 0.00 O ATOM 1176 CB SER A 76 2.671 -3.620 -2.656 1.00 0.00 C ATOM 1177 OG SER A 76 1.541 -4.390 -3.025 1.00 0.00 O ATOM 0 H SER A 76 3.549 -4.513 -4.764 1.00 0.00 H new ATOM 0 HA SER A 76 2.271 -2.091 -4.131 1.00 0.00 H new ATOM 0 HB2 SER A 76 3.492 -4.282 -2.382 1.00 0.00 H new ATOM 0 HB3 SER A 76 2.436 -3.022 -1.776 1.00 0.00 H new ATOM 0 HG SER A 76 1.193 -4.858 -2.238 1.00 0.00 H new ATOM 1183 N LEU A 77 5.425 -2.249 -3.163 1.00 0.00 N ATOM 1184 CA LEU A 77 6.524 -1.422 -2.677 1.00 0.00 C ATOM 1185 C LEU A 77 6.697 -0.162 -3.527 1.00 0.00 C ATOM 1186 O LEU A 77 6.566 0.955 -3.029 1.00 0.00 O ATOM 1187 CB LEU A 77 7.826 -2.232 -2.672 1.00 0.00 C ATOM 1188 CG LEU A 77 7.964 -3.278 -1.556 1.00 0.00 C ATOM 1189 CD1 LEU A 77 7.891 -2.630 -0.182 1.00 0.00 C ATOM 1190 CD2 LEU A 77 6.911 -4.361 -1.685 1.00 0.00 C ATOM 0 H LEU A 77 5.681 -3.213 -3.376 1.00 0.00 H new ATOM 0 HA LEU A 77 6.284 -1.110 -1.660 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.918 -2.740 -3.632 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.663 -1.537 -2.597 1.00 0.00 H new ATOM 0 HG LEU A 77 8.945 -3.741 -1.664 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.992 -3.396 0.587 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.697 -1.904 -0.079 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.932 -2.125 -0.068 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.035 -5.086 -0.881 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.919 -3.914 -1.621 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.021 -4.863 -2.646 1.00 0.00 H new ATOM 1202 N GLU A 78 6.980 -0.344 -4.810 1.00 0.00 N ATOM 1203 CA GLU A 78 7.163 0.785 -5.719 1.00 0.00 C ATOM 1204 C GLU A 78 5.895 1.635 -5.818 1.00 0.00 C ATOM 1205 O GLU A 78 5.960 2.833 -6.095 1.00 0.00 O ATOM 1206 CB GLU A 78 7.558 0.280 -7.108 1.00 0.00 C ATOM 1207 CG GLU A 78 7.795 1.393 -8.116 1.00 0.00 C ATOM 1208 CD GLU A 78 8.083 0.868 -9.510 1.00 0.00 C ATOM 1209 OE1 GLU A 78 7.116 0.607 -10.256 1.00 0.00 O ATOM 1210 OE2 GLU A 78 9.274 0.719 -9.854 1.00 0.00 O ATOM 0 H GLU A 78 7.088 -1.260 -5.246 1.00 0.00 H new ATOM 0 HA GLU A 78 7.960 1.411 -5.318 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.464 -0.321 -7.023 1.00 0.00 H new ATOM 0 HB3 GLU A 78 6.774 -0.377 -7.483 1.00 0.00 H new ATOM 0 HG2 GLU A 78 6.918 2.040 -8.150 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.632 2.007 -7.783 1.00 0.00 H new ATOM 1217 N GLN A 79 4.746 1.008 -5.587 1.00 0.00 N ATOM 1218 CA GLN A 79 3.459 1.697 -5.666 1.00 0.00 C ATOM 1219 C GLN A 79 3.260 2.684 -4.516 1.00 0.00 C ATOM 1220 O GLN A 79 2.501 3.644 -4.645 1.00 0.00 O ATOM 1221 CB GLN A 79 2.317 0.679 -5.672 1.00 0.00 C ATOM 1222 CG GLN A 79 1.816 0.334 -7.067 1.00 0.00 C ATOM 1223 CD GLN A 79 0.799 -0.794 -7.062 1.00 0.00 C ATOM 1224 OE1 GLN A 79 -0.104 -0.836 -7.897 1.00 0.00 O ATOM 1225 NE2 GLN A 79 0.947 -1.720 -6.121 1.00 0.00 N ATOM 0 H GLN A 79 4.678 0.020 -5.343 1.00 0.00 H new ATOM 0 HA GLN A 79 3.455 2.266 -6.596 1.00 0.00 H new ATOM 0 HB2 GLN A 79 2.652 -0.234 -5.179 1.00 0.00 H new ATOM 0 HB3 GLN A 79 1.488 1.072 -5.084 1.00 0.00 H new ATOM 0 HG2 GLN A 79 1.368 1.220 -7.517 1.00 0.00 H new ATOM 0 HG3 GLN A 79 2.662 0.052 -7.693 1.00 0.00 H new ATOM 0 HE21 GLN A 79 1.710 -1.646 -5.448 1.00 0.00 H new ATOM 0 HE22 GLN A 79 0.297 -2.505 -6.071 1.00 0.00 H new ATOM 1234 N ILE A 80 3.942 2.453 -3.397 1.00 0.00 N ATOM 1235 CA ILE A 80 3.806 3.328 -2.235 1.00 0.00 C ATOM 1236 C ILE A 80 4.534 4.656 -2.427 1.00 0.00 C ATOM 1237 O ILE A 80 3.910 5.716 -2.407 1.00 0.00 O ATOM 1238 CB ILE A 80 4.322 2.649 -0.951 1.00 0.00 C ATOM 1239 CG1 ILE A 80 3.427 1.464 -0.583 1.00 0.00 C ATOM 1240 CG2 ILE A 80 4.389 3.648 0.198 1.00 0.00 C ATOM 1241 CD1 ILE A 80 3.934 0.663 0.597 1.00 0.00 C ATOM 0 H ILE A 80 4.589 1.675 -3.270 1.00 0.00 H new ATOM 0 HA ILE A 80 2.740 3.528 -2.131 1.00 0.00 H new ATOM 0 HB ILE A 80 5.330 2.279 -1.137 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.426 1.832 -0.358 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.338 0.805 -1.447 1.00 0.00 H new ATOM 0 HG21 ILE A 80 4.756 3.148 1.094 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.065 4.461 -0.066 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.394 4.051 0.389 1.00 0.00 H new ATOM 0 HD11 ILE A 80 3.249 -0.160 0.799 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.922 0.264 0.368 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.996 1.307 1.474 1.00 0.00 H new ATOM 1253 N GLY A 81 5.851 4.605 -2.616 1.00 0.00 N ATOM 1254 CA GLY A 81 6.605 5.833 -2.794 1.00 0.00 C ATOM 1255 C GLY A 81 8.089 5.613 -2.987 1.00 0.00 C ATOM 1256 O GLY A 81 8.506 4.737 -3.745 1.00 0.00 O ATOM 0 H GLY A 81 6.402 3.747 -2.649 1.00 0.00 H new ATOM 0 HA2 GLY A 81 6.211 6.369 -3.657 1.00 0.00 H new ATOM 0 HA3 GLY A 81 6.452 6.472 -1.925 1.00 0.00 H new ATOM 1260 N GLY A 82 8.882 6.428 -2.297 1.00 0.00 N ATOM 1261 CA GLY A 82 10.324 6.330 -2.394 1.00 0.00 C ATOM 1262 C GLY A 82 10.990 6.214 -1.038 1.00 0.00 C ATOM 1263 O GLY A 82 11.370 5.125 -0.622 1.00 0.00 O ATOM 0 H GLY A 82 8.547 7.158 -1.669 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.586 5.462 -2.999 1.00 0.00 H new ATOM 0 HA3 GLY A 82 10.711 7.208 -2.911 1.00 0.00 H new ATOM 1267 N GLU A 83 11.127 7.343 -0.349 1.00 0.00 N ATOM 1268 CA GLU A 83 11.755 7.382 0.971 1.00 0.00 C ATOM 1269 C GLU A 83 11.029 6.482 1.971 1.00 0.00 C ATOM 1270 O GLU A 83 11.600 6.073 2.981 1.00 0.00 O ATOM 1271 CB GLU A 83 11.785 8.822 1.494 1.00 0.00 C ATOM 1272 CG GLU A 83 12.524 8.979 2.813 1.00 0.00 C ATOM 1273 CD GLU A 83 12.464 10.397 3.350 1.00 0.00 C ATOM 1274 OE1 GLU A 83 13.341 11.207 2.987 1.00 0.00 O ATOM 1275 OE2 GLU A 83 11.538 10.697 4.134 1.00 0.00 O ATOM 0 H GLU A 83 10.809 8.252 -0.686 1.00 0.00 H new ATOM 0 HA GLU A 83 12.773 7.009 0.864 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.255 9.461 0.746 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.761 9.176 1.617 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.096 8.298 3.548 1.00 0.00 H new ATOM 0 HG3 GLU A 83 13.566 8.689 2.678 1.00 0.00 H new ATOM 1282 N ARG A 84 9.770 6.172 1.680 1.00 0.00 N ATOM 1283 CA ARG A 84 8.958 5.344 2.565 1.00 0.00 C ATOM 1284 C ARG A 84 9.363 3.886 2.440 1.00 0.00 C ATOM 1285 O ARG A 84 9.828 3.268 3.398 1.00 0.00 O ATOM 1286 CB ARG A 84 7.464 5.482 2.229 1.00 0.00 C ATOM 1287 CG ARG A 84 6.949 6.916 2.167 1.00 0.00 C ATOM 1288 CD ARG A 84 7.336 7.602 0.865 1.00 0.00 C ATOM 1289 NE ARG A 84 6.609 8.852 0.661 1.00 0.00 N ATOM 1290 CZ ARG A 84 6.765 9.629 -0.407 1.00 0.00 C ATOM 1291 NH1 ARG A 84 7.619 9.284 -1.363 1.00 0.00 N ATOM 1292 NH2 ARG A 84 6.068 10.751 -0.522 1.00 0.00 N ATOM 0 H ARG A 84 9.289 6.482 0.836 1.00 0.00 H new ATOM 0 HA ARG A 84 9.125 5.685 3.587 1.00 0.00 H new ATOM 0 HB2 ARG A 84 7.277 5.002 1.268 1.00 0.00 H new ATOM 0 HB3 ARG A 84 6.887 4.936 2.975 1.00 0.00 H new ATOM 0 HG2 ARG A 84 5.864 6.917 2.269 1.00 0.00 H new ATOM 0 HG3 ARG A 84 7.349 7.482 3.008 1.00 0.00 H new ATOM 0 HD2 ARG A 84 8.407 7.803 0.867 1.00 0.00 H new ATOM 0 HD3 ARG A 84 7.140 6.929 0.030 1.00 0.00 H new ATOM 0 HE ARG A 84 5.945 9.145 1.377 1.00 0.00 H new ATOM 0 HH11 ARG A 84 8.157 8.422 -1.279 1.00 0.00 H new ATOM 0 HH12 ARG A 84 7.737 9.881 -2.181 1.00 0.00 H new ATOM 0 HH21 ARG A 84 5.410 11.020 0.210 1.00 0.00 H new ATOM 0 HH22 ARG A 84 6.190 11.345 -1.342 1.00 0.00 H new ATOM 1306 N VAL A 85 9.177 3.347 1.245 1.00 0.00 N ATOM 1307 CA VAL A 85 9.520 1.966 0.960 1.00 0.00 C ATOM 1308 C VAL A 85 11.030 1.774 0.931 1.00 0.00 C ATOM 1309 O VAL A 85 11.525 0.659 1.079 1.00 0.00 O ATOM 1310 CB VAL A 85 8.901 1.510 -0.373 1.00 0.00 C ATOM 1311 CG1 VAL A 85 9.513 0.205 -0.850 1.00 0.00 C ATOM 1312 CG2 VAL A 85 7.399 1.369 -0.220 1.00 0.00 C ATOM 0 H VAL A 85 8.786 3.853 0.450 1.00 0.00 H new ATOM 0 HA VAL A 85 9.109 1.351 1.761 1.00 0.00 H new ATOM 0 HB VAL A 85 9.115 2.268 -1.127 1.00 0.00 H new ATOM 0 HG11 VAL A 85 9.054 -0.089 -1.794 1.00 0.00 H new ATOM 0 HG12 VAL A 85 10.585 0.337 -0.994 1.00 0.00 H new ATOM 0 HG13 VAL A 85 9.340 -0.572 -0.105 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.966 1.046 -1.167 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.180 0.630 0.551 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.971 2.330 0.066 1.00 0.00 H new ATOM 1322 N ARG A 86 11.760 2.871 0.739 1.00 0.00 N ATOM 1323 CA ARG A 86 13.222 2.816 0.690 1.00 0.00 C ATOM 1324 C ARG A 86 13.770 1.977 1.840 1.00 0.00 C ATOM 1325 O ARG A 86 14.852 1.398 1.740 1.00 0.00 O ATOM 1326 CB ARG A 86 13.822 4.222 0.756 1.00 0.00 C ATOM 1327 CG ARG A 86 15.331 4.242 0.571 1.00 0.00 C ATOM 1328 CD ARG A 86 15.952 5.481 1.190 1.00 0.00 C ATOM 1329 NE ARG A 86 15.399 6.711 0.633 1.00 0.00 N ATOM 1330 CZ ARG A 86 15.649 7.921 1.125 1.00 0.00 C ATOM 1331 NH1 ARG A 86 16.439 8.060 2.181 1.00 0.00 N ATOM 1332 NH2 ARG A 86 15.109 8.993 0.562 1.00 0.00 N ATOM 0 H ARG A 86 11.367 3.804 0.615 1.00 0.00 H new ATOM 0 HA ARG A 86 13.504 2.353 -0.256 1.00 0.00 H new ATOM 0 HB2 ARG A 86 13.361 4.843 -0.012 1.00 0.00 H new ATOM 0 HB3 ARG A 86 13.575 4.670 1.719 1.00 0.00 H new ATOM 0 HG2 ARG A 86 15.766 3.351 1.024 1.00 0.00 H new ATOM 0 HG3 ARG A 86 15.569 4.207 -0.492 1.00 0.00 H new ATOM 0 HD2 ARG A 86 15.790 5.467 2.268 1.00 0.00 H new ATOM 0 HD3 ARG A 86 17.030 5.464 1.030 1.00 0.00 H new ATOM 0 HE ARG A 86 14.786 6.639 -0.179 1.00 0.00 H new ATOM 0 HH11 ARG A 86 16.856 7.238 2.617 1.00 0.00 H new ATOM 0 HH12 ARG A 86 16.629 8.989 2.557 1.00 0.00 H new ATOM 0 HH21 ARG A 86 14.500 8.891 -0.250 1.00 0.00 H new ATOM 0 HH22 ARG A 86 15.302 9.920 0.941 1.00 0.00 H new ATOM 1346 N ALA A 87 13.012 1.916 2.930 1.00 0.00 N ATOM 1347 CA ALA A 87 13.417 1.145 4.099 1.00 0.00 C ATOM 1348 C ALA A 87 13.021 -0.319 3.945 1.00 0.00 C ATOM 1349 O ALA A 87 13.746 -1.218 4.374 1.00 0.00 O ATOM 1350 CB ALA A 87 12.802 1.736 5.360 1.00 0.00 C ATOM 0 H ALA A 87 12.115 2.391 3.028 1.00 0.00 H new ATOM 0 HA ALA A 87 14.502 1.195 4.185 1.00 0.00 H new ATOM 0 HB1 ALA A 87 13.113 1.150 6.225 1.00 0.00 H new ATOM 0 HB2 ALA A 87 13.137 2.766 5.480 1.00 0.00 H new ATOM 0 HB3 ALA A 87 11.715 1.715 5.279 1.00 0.00 H new ATOM 1356 N ALA A 88 11.865 -0.550 3.329 1.00 0.00 N ATOM 1357 CA ALA A 88 11.365 -1.900 3.106 1.00 0.00 C ATOM 1358 C ALA A 88 12.232 -2.655 2.104 1.00 0.00 C ATOM 1359 O ALA A 88 12.558 -3.824 2.315 1.00 0.00 O ATOM 1360 CB ALA A 88 9.922 -1.854 2.627 1.00 0.00 C ATOM 0 H ALA A 88 11.255 0.186 2.974 1.00 0.00 H new ATOM 0 HA ALA A 88 11.408 -2.435 4.055 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.560 -2.869 2.464 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.304 -1.365 3.380 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.866 -1.295 1.693 1.00 0.00 H new ATOM 1366 N MET A 89 12.601 -1.989 1.009 1.00 0.00 N ATOM 1367 CA MET A 89 13.433 -2.619 -0.011 1.00 0.00 C ATOM 1368 C MET A 89 14.798 -2.953 0.564 1.00 0.00 C ATOM 1369 O MET A 89 15.456 -3.892 0.123 1.00 0.00 O ATOM 1370 CB MET A 89 13.569 -1.727 -1.255 1.00 0.00 C ATOM 1371 CG MET A 89 14.332 -0.426 -1.039 1.00 0.00 C ATOM 1372 SD MET A 89 16.107 -0.658 -0.799 1.00 0.00 S ATOM 1373 CE MET A 89 16.585 -1.320 -2.392 1.00 0.00 C ATOM 0 H MET A 89 12.339 -1.024 0.809 1.00 0.00 H new ATOM 0 HA MET A 89 12.946 -3.543 -0.324 1.00 0.00 H new ATOM 0 HB2 MET A 89 14.069 -2.297 -2.038 1.00 0.00 H new ATOM 0 HB3 MET A 89 12.571 -1.488 -1.622 1.00 0.00 H new ATOM 0 HG2 MET A 89 14.172 0.226 -1.898 1.00 0.00 H new ATOM 0 HG3 MET A 89 13.920 0.086 -0.169 1.00 0.00 H new ATOM 0 HE1 MET A 89 17.564 -0.929 -2.669 1.00 0.00 H new ATOM 0 HE2 MET A 89 16.631 -2.408 -2.335 1.00 0.00 H new ATOM 0 HE3 MET A 89 15.851 -1.027 -3.143 1.00 0.00 H new ATOM 1383 N GLU A 90 15.220 -2.167 1.548 1.00 0.00 N ATOM 1384 CA GLU A 90 16.499 -2.388 2.202 1.00 0.00 C ATOM 1385 C GLU A 90 16.429 -3.649 3.048 1.00 0.00 C ATOM 1386 O GLU A 90 17.391 -4.413 3.129 1.00 0.00 O ATOM 1387 CB GLU A 90 16.871 -1.188 3.074 1.00 0.00 C ATOM 1388 CG GLU A 90 17.601 -0.089 2.321 1.00 0.00 C ATOM 1389 CD GLU A 90 17.901 1.115 3.193 1.00 0.00 C ATOM 1390 OE1 GLU A 90 18.973 1.131 3.833 1.00 0.00 O ATOM 1391 OE2 GLU A 90 17.064 2.041 3.236 1.00 0.00 O ATOM 0 H GLU A 90 14.693 -1.372 1.909 1.00 0.00 H new ATOM 0 HA GLU A 90 17.268 -2.509 1.439 1.00 0.00 H new ATOM 0 HB2 GLU A 90 15.963 -0.774 3.513 1.00 0.00 H new ATOM 0 HB3 GLU A 90 17.497 -1.529 3.898 1.00 0.00 H new ATOM 0 HG2 GLU A 90 18.535 -0.485 1.922 1.00 0.00 H new ATOM 0 HG3 GLU A 90 16.998 0.225 1.469 1.00 0.00 H new ATOM 1398 N LYS A 91 15.276 -3.859 3.676 1.00 0.00 N ATOM 1399 CA LYS A 91 15.064 -5.035 4.510 1.00 0.00 C ATOM 1400 C LYS A 91 15.064 -6.298 3.657 1.00 0.00 C ATOM 1401 O LYS A 91 15.524 -7.354 4.094 1.00 0.00 O ATOM 1402 CB LYS A 91 13.742 -4.904 5.272 1.00 0.00 C ATOM 1403 CG LYS A 91 13.651 -5.786 6.506 1.00 0.00 C ATOM 1404 CD LYS A 91 13.285 -7.219 6.154 1.00 0.00 C ATOM 1405 CE LYS A 91 12.987 -8.036 7.398 1.00 0.00 C ATOM 1406 NZ LYS A 91 14.164 -8.117 8.304 1.00 0.00 N ATOM 0 H LYS A 91 14.475 -3.230 3.623 1.00 0.00 H new ATOM 0 HA LYS A 91 15.879 -5.107 5.230 1.00 0.00 H new ATOM 0 HB2 LYS A 91 13.608 -3.864 5.570 1.00 0.00 H new ATOM 0 HB3 LYS A 91 12.921 -5.151 4.600 1.00 0.00 H new ATOM 0 HG2 LYS A 91 14.606 -5.774 7.032 1.00 0.00 H new ATOM 0 HG3 LYS A 91 12.906 -5.378 7.189 1.00 0.00 H new ATOM 0 HD2 LYS A 91 12.415 -7.223 5.497 1.00 0.00 H new ATOM 0 HD3 LYS A 91 14.104 -7.680 5.602 1.00 0.00 H new ATOM 0 HE2 LYS A 91 12.148 -7.591 7.932 1.00 0.00 H new ATOM 0 HE3 LYS A 91 12.683 -9.042 7.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.947 -8.752 9.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 14.982 -8.487 7.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 14.387 -7.169 8.669 1.00 0.00 H new ATOM 1420 N LEU A 92 14.562 -6.184 2.429 1.00 0.00 N ATOM 1421 CA LEU A 92 14.510 -7.316 1.525 1.00 0.00 C ATOM 1422 C LEU A 92 15.834 -7.442 0.775 1.00 0.00 C ATOM 1423 O LEU A 92 16.226 -8.532 0.366 1.00 0.00 O ATOM 1424 CB LEU A 92 13.327 -7.151 0.563 1.00 0.00 C ATOM 1425 CG LEU A 92 13.580 -7.559 -0.886 1.00 0.00 C ATOM 1426 CD1 LEU A 92 13.597 -9.075 -1.025 1.00 0.00 C ATOM 1427 CD2 LEU A 92 12.520 -6.949 -1.790 1.00 0.00 C ATOM 0 H LEU A 92 14.187 -5.317 2.043 1.00 0.00 H new ATOM 0 HA LEU A 92 14.360 -8.236 2.090 1.00 0.00 H new ATOM 0 HB2 LEU A 92 12.490 -7.737 0.944 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.017 -6.106 0.576 1.00 0.00 H new ATOM 0 HG LEU A 92 14.557 -7.183 -1.188 1.00 0.00 H new ATOM 0 HD11 LEU A 92 13.779 -9.343 -2.066 1.00 0.00 H new ATOM 0 HD12 LEU A 92 14.388 -9.489 -0.400 1.00 0.00 H new ATOM 0 HD13 LEU A 92 12.636 -9.480 -0.709 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.708 -7.245 -2.822 1.00 0.00 H new ATOM 0 HD22 LEU A 92 11.535 -7.302 -1.485 1.00 0.00 H new ATOM 0 HD23 LEU A 92 12.557 -5.862 -1.712 1.00 0.00 H new ATOM 1439 N ALA A 93 16.520 -6.314 0.606 1.00 0.00 N ATOM 1440 CA ALA A 93 17.809 -6.291 -0.074 1.00 0.00 C ATOM 1441 C ALA A 93 18.815 -7.170 0.661 1.00 0.00 C ATOM 1442 O ALA A 93 19.721 -7.741 0.054 1.00 0.00 O ATOM 1443 CB ALA A 93 18.333 -4.867 -0.164 1.00 0.00 C ATOM 0 H ALA A 93 16.202 -5.402 0.933 1.00 0.00 H new ATOM 0 HA ALA A 93 17.673 -6.682 -1.082 1.00 0.00 H new ATOM 0 HB1 ALA A 93 19.296 -4.865 -0.674 1.00 0.00 H new ATOM 0 HB2 ALA A 93 17.626 -4.254 -0.722 1.00 0.00 H new ATOM 0 HB3 ALA A 93 18.453 -4.459 0.840 1.00 0.00 H new ATOM 1449 N GLU A 94 18.641 -7.266 1.976 1.00 0.00 N ATOM 1450 CA GLU A 94 19.522 -8.071 2.814 1.00 0.00 C ATOM 1451 C GLU A 94 19.135 -9.542 2.730 1.00 0.00 C ATOM 1452 O GLU A 94 19.959 -10.430 2.951 1.00 0.00 O ATOM 1453 CB GLU A 94 19.448 -7.585 4.263 1.00 0.00 C ATOM 1454 CG GLU A 94 20.375 -8.329 5.209 1.00 0.00 C ATOM 1455 CD GLU A 94 21.835 -8.207 4.815 1.00 0.00 C ATOM 1456 OE1 GLU A 94 22.297 -9.016 3.983 1.00 0.00 O ATOM 1457 OE2 GLU A 94 22.518 -7.303 5.341 1.00 0.00 O ATOM 0 H GLU A 94 17.894 -6.794 2.485 1.00 0.00 H new ATOM 0 HA GLU A 94 20.546 -7.963 2.456 1.00 0.00 H new ATOM 0 HB2 GLU A 94 19.691 -6.523 4.293 1.00 0.00 H new ATOM 0 HB3 GLU A 94 18.423 -7.688 4.619 1.00 0.00 H new ATOM 0 HG2 GLU A 94 20.242 -7.943 6.220 1.00 0.00 H new ATOM 0 HG3 GLU A 94 20.096 -9.382 5.231 1.00 0.00 H new ATOM 1464 N THR A 95 17.871 -9.786 2.403 1.00 0.00 N ATOM 1465 CA THR A 95 17.358 -11.142 2.264 1.00 0.00 C ATOM 1466 C THR A 95 17.054 -11.412 0.800 1.00 0.00 C ATOM 1467 O THR A 95 16.284 -12.312 0.461 1.00 0.00 O ATOM 1468 CB THR A 95 16.079 -11.353 3.097 1.00 0.00 C ATOM 1469 OG1 THR A 95 15.084 -10.394 2.719 1.00 0.00 O ATOM 1470 CG2 THR A 95 16.370 -11.228 4.585 1.00 0.00 C ATOM 0 H THR A 95 17.180 -9.057 2.228 1.00 0.00 H new ATOM 0 HA THR A 95 18.117 -11.833 2.631 1.00 0.00 H new ATOM 0 HB THR A 95 15.709 -12.359 2.900 1.00 0.00 H new ATOM 0 HG1 THR A 95 14.274 -10.536 3.252 1.00 0.00 H new ATOM 0 HG21 THR A 95 15.450 -11.381 5.150 1.00 0.00 H new ATOM 0 HG22 THR A 95 17.104 -11.979 4.876 1.00 0.00 H new ATOM 0 HG23 THR A 95 16.764 -10.234 4.796 1.00 0.00 H new ATOM 1478 N GLY A 96 17.684 -10.617 -0.057 1.00 0.00 N ATOM 1479 CA GLY A 96 17.484 -10.730 -1.485 1.00 0.00 C ATOM 1480 C GLY A 96 17.659 -12.136 -2.014 1.00 0.00 C ATOM 1481 O GLY A 96 18.732 -12.729 -1.899 1.00 0.00 O ATOM 0 H GLY A 96 18.339 -9.886 0.220 1.00 0.00 H new ATOM 0 HA2 GLY A 96 16.481 -10.381 -1.731 1.00 0.00 H new ATOM 0 HA3 GLY A 96 18.186 -10.070 -1.995 1.00 0.00 H new ATOM 1485 N THR A 97 16.591 -12.665 -2.597 1.00 0.00 N ATOM 1486 CA THR A 97 16.609 -14.004 -3.171 1.00 0.00 C ATOM 1487 C THR A 97 15.591 -14.114 -4.304 1.00 0.00 C ATOM 1488 O THR A 97 14.430 -13.740 -4.143 1.00 0.00 O ATOM 1489 CB THR A 97 16.305 -15.077 -2.109 1.00 0.00 C ATOM 1490 OG1 THR A 97 17.214 -14.946 -1.008 1.00 0.00 O ATOM 1491 CG2 THR A 97 16.420 -16.474 -2.700 1.00 0.00 C ATOM 0 H THR A 97 15.696 -12.184 -2.685 1.00 0.00 H new ATOM 0 HA THR A 97 17.612 -14.176 -3.562 1.00 0.00 H new ATOM 0 HB THR A 97 15.283 -14.930 -1.759 1.00 0.00 H new ATOM 0 HG1 THR A 97 16.935 -14.197 -0.441 1.00 0.00 H new ATOM 0 HG21 THR A 97 16.201 -17.214 -1.930 1.00 0.00 H new ATOM 0 HG22 THR A 97 15.710 -16.582 -3.520 1.00 0.00 H new ATOM 0 HG23 THR A 97 17.432 -16.629 -3.074 1.00 0.00 H new ATOM 1499 N GLY A 98 16.035 -14.628 -5.448 1.00 0.00 N ATOM 1500 CA GLY A 98 15.150 -14.774 -6.591 1.00 0.00 C ATOM 1501 C GLY A 98 14.643 -13.439 -7.107 1.00 0.00 C ATOM 1502 O GLY A 98 15.366 -12.443 -7.084 1.00 0.00 O ATOM 0 H GLY A 98 16.992 -14.946 -5.604 1.00 0.00 H new ATOM 0 HA2 GLY A 98 15.678 -15.293 -7.391 1.00 0.00 H new ATOM 0 HA3 GLY A 98 14.301 -15.398 -6.312 1.00 0.00 H new ATOM 1506 N PHE A 99 13.398 -13.420 -7.573 1.00 0.00 N ATOM 1507 CA PHE A 99 12.791 -12.200 -8.095 1.00 0.00 C ATOM 1508 C PHE A 99 12.552 -11.191 -6.976 1.00 0.00 C ATOM 1509 O PHE A 99 12.567 -9.981 -7.204 1.00 0.00 O ATOM 1510 CB PHE A 99 11.472 -12.524 -8.802 1.00 0.00 C ATOM 1511 CG PHE A 99 10.666 -11.310 -9.173 1.00 0.00 C ATOM 1512 CD1 PHE A 99 11.067 -10.484 -10.212 1.00 0.00 C ATOM 1513 CD2 PHE A 99 9.510 -10.994 -8.479 1.00 0.00 C ATOM 1514 CE1 PHE A 99 10.328 -9.366 -10.551 1.00 0.00 C ATOM 1515 CE2 PHE A 99 8.767 -9.877 -8.814 1.00 0.00 C ATOM 1516 CZ PHE A 99 9.176 -9.062 -9.850 1.00 0.00 C ATOM 0 H PHE A 99 12.789 -14.237 -7.600 1.00 0.00 H new ATOM 0 HA PHE A 99 13.480 -11.758 -8.815 1.00 0.00 H new ATOM 0 HB2 PHE A 99 11.686 -13.096 -9.705 1.00 0.00 H new ATOM 0 HB3 PHE A 99 10.871 -13.163 -8.155 1.00 0.00 H new ATOM 0 HD1 PHE A 99 11.967 -10.717 -10.762 1.00 0.00 H new ATOM 0 HD2 PHE A 99 9.185 -11.627 -7.667 1.00 0.00 H new ATOM 0 HE1 PHE A 99 10.650 -8.731 -11.363 1.00 0.00 H new ATOM 0 HE2 PHE A 99 7.867 -9.642 -8.265 1.00 0.00 H new ATOM 0 HZ PHE A 99 8.597 -8.189 -10.112 1.00 0.00 H new ATOM 1526 N ALA A 100 12.330 -11.702 -5.769 1.00 0.00 N ATOM 1527 CA ALA A 100 12.084 -10.857 -4.605 1.00 0.00 C ATOM 1528 C ALA A 100 13.141 -9.767 -4.472 1.00 0.00 C ATOM 1529 O ALA A 100 12.823 -8.623 -4.165 1.00 0.00 O ATOM 1530 CB ALA A 100 12.047 -11.706 -3.345 1.00 0.00 C ATOM 0 H ALA A 100 12.315 -12.702 -5.571 1.00 0.00 H new ATOM 0 HA ALA A 100 11.118 -10.370 -4.742 1.00 0.00 H new ATOM 0 HB1 ALA A 100 11.863 -11.067 -2.481 1.00 0.00 H new ATOM 0 HB2 ALA A 100 11.249 -12.444 -3.427 1.00 0.00 H new ATOM 0 HB3 ALA A 100 13.002 -12.216 -3.222 1.00 0.00 H new ATOM 1536 N ARG A 101 14.395 -10.128 -4.706 1.00 0.00 N ATOM 1537 CA ARG A 101 15.498 -9.176 -4.601 1.00 0.00 C ATOM 1538 C ARG A 101 15.427 -8.117 -5.691 1.00 0.00 C ATOM 1539 O ARG A 101 15.445 -6.920 -5.403 1.00 0.00 O ATOM 1540 CB ARG A 101 16.830 -9.902 -4.699 1.00 0.00 C ATOM 1541 CG ARG A 101 18.032 -8.989 -4.511 1.00 0.00 C ATOM 1542 CD ARG A 101 19.308 -9.783 -4.304 1.00 0.00 C ATOM 1543 NE ARG A 101 20.477 -8.915 -4.181 1.00 0.00 N ATOM 1544 CZ ARG A 101 21.702 -9.358 -3.912 1.00 0.00 C ATOM 1545 NH1 ARG A 101 21.920 -10.653 -3.735 1.00 0.00 N ATOM 1546 NH2 ARG A 101 22.711 -8.504 -3.817 1.00 0.00 N ATOM 0 H ARG A 101 14.676 -11.072 -4.970 1.00 0.00 H new ATOM 0 HA ARG A 101 15.413 -8.684 -3.632 1.00 0.00 H new ATOM 0 HB2 ARG A 101 16.861 -10.691 -3.947 1.00 0.00 H new ATOM 0 HB3 ARG A 101 16.900 -10.387 -5.673 1.00 0.00 H new ATOM 0 HG2 ARG A 101 18.141 -8.345 -5.384 1.00 0.00 H new ATOM 0 HG3 ARG A 101 17.865 -8.338 -3.653 1.00 0.00 H new ATOM 0 HD2 ARG A 101 19.214 -10.394 -3.406 1.00 0.00 H new ATOM 0 HD3 ARG A 101 19.450 -10.466 -5.141 1.00 0.00 H new ATOM 0 HE ARG A 101 20.346 -7.912 -4.309 1.00 0.00 H new ATOM 0 HH11 ARG A 101 21.147 -11.315 -3.805 1.00 0.00 H new ATOM 0 HH12 ARG A 101 22.861 -10.988 -3.529 1.00 0.00 H new ATOM 0 HH21 ARG A 101 22.549 -7.506 -3.950 1.00 0.00 H new ATOM 0 HH22 ARG A 101 23.650 -8.845 -3.611 1.00 0.00 H new ATOM 1560 N LYS A 102 15.364 -8.566 -6.943 1.00 0.00 N ATOM 1561 CA LYS A 102 15.297 -7.659 -8.082 1.00 0.00 C ATOM 1562 C LYS A 102 14.277 -6.558 -7.821 1.00 0.00 C ATOM 1563 O LYS A 102 14.400 -5.447 -8.330 1.00 0.00 O ATOM 1564 CB LYS A 102 14.929 -8.436 -9.346 1.00 0.00 C ATOM 1565 CG LYS A 102 14.832 -7.568 -10.587 1.00 0.00 C ATOM 1566 CD LYS A 102 14.340 -8.369 -11.782 1.00 0.00 C ATOM 1567 CE LYS A 102 14.129 -7.482 -12.996 1.00 0.00 C ATOM 1568 NZ LYS A 102 15.405 -6.887 -13.477 1.00 0.00 N ATOM 0 H LYS A 102 15.358 -9.555 -7.192 1.00 0.00 H new ATOM 0 HA LYS A 102 16.274 -7.198 -8.224 1.00 0.00 H new ATOM 0 HB2 LYS A 102 15.674 -9.214 -9.514 1.00 0.00 H new ATOM 0 HB3 LYS A 102 13.974 -8.938 -9.189 1.00 0.00 H new ATOM 0 HG2 LYS A 102 14.153 -6.736 -10.400 1.00 0.00 H new ATOM 0 HG3 LYS A 102 15.809 -7.139 -10.811 1.00 0.00 H new ATOM 0 HD2 LYS A 102 15.063 -9.149 -12.021 1.00 0.00 H new ATOM 0 HD3 LYS A 102 13.405 -8.868 -11.527 1.00 0.00 H new ATOM 0 HE2 LYS A 102 13.676 -8.065 -13.797 1.00 0.00 H new ATOM 0 HE3 LYS A 102 13.428 -6.685 -12.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 15.238 -6.386 -14.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 15.765 -6.217 -12.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 16.105 -7.641 -13.627 1.00 0.00 H new ATOM 1582 N VAL A 103 13.277 -6.883 -7.015 1.00 0.00 N ATOM 1583 CA VAL A 103 12.234 -5.937 -6.657 1.00 0.00 C ATOM 1584 C VAL A 103 12.814 -4.737 -5.911 1.00 0.00 C ATOM 1585 O VAL A 103 12.697 -3.599 -6.363 1.00 0.00 O ATOM 1586 CB VAL A 103 11.172 -6.619 -5.777 1.00 0.00 C ATOM 1587 CG1 VAL A 103 10.220 -5.595 -5.173 1.00 0.00 C ATOM 1588 CG2 VAL A 103 10.405 -7.657 -6.583 1.00 0.00 C ATOM 0 H VAL A 103 13.167 -7.805 -6.593 1.00 0.00 H new ATOM 0 HA VAL A 103 11.772 -5.587 -7.580 1.00 0.00 H new ATOM 0 HB VAL A 103 11.683 -7.123 -4.957 1.00 0.00 H new ATOM 0 HG11 VAL A 103 9.480 -6.105 -4.556 1.00 0.00 H new ATOM 0 HG12 VAL A 103 10.783 -4.893 -4.558 1.00 0.00 H new ATOM 0 HG13 VAL A 103 9.714 -5.053 -5.972 1.00 0.00 H new ATOM 0 HG21 VAL A 103 9.657 -8.131 -5.947 1.00 0.00 H new ATOM 0 HG22 VAL A 103 9.911 -7.172 -7.425 1.00 0.00 H new ATOM 0 HG23 VAL A 103 11.097 -8.413 -6.955 1.00 0.00 H new ATOM 1598 N ALA A 104 13.443 -5.005 -4.767 1.00 0.00 N ATOM 1599 CA ALA A 104 14.045 -3.958 -3.945 1.00 0.00 C ATOM 1600 C ALA A 104 15.009 -3.090 -4.750 1.00 0.00 C ATOM 1601 O ALA A 104 14.811 -1.885 -4.899 1.00 0.00 O ATOM 1602 CB ALA A 104 14.782 -4.584 -2.771 1.00 0.00 C ATOM 0 H ALA A 104 13.549 -5.946 -4.387 1.00 0.00 H new ATOM 0 HA ALA A 104 13.241 -3.318 -3.582 1.00 0.00 H new ATOM 0 HB1 ALA A 104 15.229 -3.799 -2.161 1.00 0.00 H new ATOM 0 HB2 ALA A 104 14.081 -5.158 -2.166 1.00 0.00 H new ATOM 0 HB3 ALA A 104 15.565 -5.244 -3.143 1.00 0.00 H new ATOM 1608 N VAL A 105 16.053 -3.728 -5.258 1.00 0.00 N ATOM 1609 CA VAL A 105 17.093 -3.054 -6.031 1.00 0.00 C ATOM 1610 C VAL A 105 16.534 -2.262 -7.215 1.00 0.00 C ATOM 1611 O VAL A 105 16.736 -1.053 -7.304 1.00 0.00 O ATOM 1612 CB VAL A 105 18.135 -4.066 -6.551 1.00 0.00 C ATOM 1613 CG1 VAL A 105 19.263 -3.352 -7.284 1.00 0.00 C ATOM 1614 CG2 VAL A 105 18.682 -4.901 -5.403 1.00 0.00 C ATOM 0 H VAL A 105 16.206 -4.730 -5.147 1.00 0.00 H new ATOM 0 HA VAL A 105 17.566 -2.349 -5.347 1.00 0.00 H new ATOM 0 HB VAL A 105 17.643 -4.733 -7.258 1.00 0.00 H new ATOM 0 HG11 VAL A 105 19.986 -4.085 -7.642 1.00 0.00 H new ATOM 0 HG12 VAL A 105 18.855 -2.801 -8.132 1.00 0.00 H new ATOM 0 HG13 VAL A 105 19.757 -2.658 -6.604 1.00 0.00 H new ATOM 0 HG21 VAL A 105 19.416 -5.610 -5.786 1.00 0.00 H new ATOM 0 HG22 VAL A 105 19.157 -4.247 -4.672 1.00 0.00 H new ATOM 0 HG23 VAL A 105 17.866 -5.445 -4.928 1.00 0.00 H new ATOM 1624 N ASN A 106 15.843 -2.942 -8.126 1.00 0.00 N ATOM 1625 CA ASN A 106 15.281 -2.283 -9.306 1.00 0.00 C ATOM 1626 C ASN A 106 14.353 -1.135 -8.920 1.00 0.00 C ATOM 1627 O ASN A 106 14.250 -0.142 -9.638 1.00 0.00 O ATOM 1628 CB ASN A 106 14.520 -3.288 -10.174 1.00 0.00 C ATOM 1629 CG ASN A 106 13.977 -2.663 -11.444 1.00 0.00 C ATOM 1630 OD1 ASN A 106 12.858 -2.151 -11.469 1.00 0.00 O ATOM 1631 ND2 ASN A 106 14.770 -2.703 -12.508 1.00 0.00 N ATOM 0 H ASN A 106 15.658 -3.944 -8.072 1.00 0.00 H new ATOM 0 HA ASN A 106 16.115 -1.873 -9.875 1.00 0.00 H new ATOM 0 HB2 ASN A 106 15.182 -4.114 -10.434 1.00 0.00 H new ATOM 0 HB3 ASN A 106 13.696 -3.709 -9.599 1.00 0.00 H new ATOM 0 HD21 ASN A 106 14.459 -2.299 -13.391 1.00 0.00 H new ATOM 0 HD22 ASN A 106 15.690 -3.138 -12.442 1.00 0.00 H new ATOM 1638 N TYR A 107 13.676 -1.279 -7.789 1.00 0.00 N ATOM 1639 CA TYR A 107 12.754 -0.259 -7.315 1.00 0.00 C ATOM 1640 C TYR A 107 13.485 1.067 -7.108 1.00 0.00 C ATOM 1641 O TYR A 107 12.896 2.140 -7.221 1.00 0.00 O ATOM 1642 CB TYR A 107 12.082 -0.738 -6.025 1.00 0.00 C ATOM 1643 CG TYR A 107 11.617 0.367 -5.109 1.00 0.00 C ATOM 1644 CD1 TYR A 107 10.646 1.281 -5.501 1.00 0.00 C ATOM 1645 CD2 TYR A 107 12.162 0.492 -3.846 1.00 0.00 C ATOM 1646 CE1 TYR A 107 10.234 2.287 -4.648 1.00 0.00 C ATOM 1647 CE2 TYR A 107 11.760 1.492 -2.989 1.00 0.00 C ATOM 1648 CZ TYR A 107 10.797 2.387 -3.392 1.00 0.00 C ATOM 1649 OH TYR A 107 10.391 3.382 -2.535 1.00 0.00 O ATOM 0 H TYR A 107 13.749 -2.095 -7.182 1.00 0.00 H new ATOM 0 HA TYR A 107 11.980 -0.091 -8.064 1.00 0.00 H new ATOM 0 HB2 TYR A 107 11.225 -1.359 -6.287 1.00 0.00 H new ATOM 0 HB3 TYR A 107 12.782 -1.372 -5.481 1.00 0.00 H new ATOM 0 HD1 TYR A 107 10.208 1.204 -6.485 1.00 0.00 H new ATOM 0 HD2 TYR A 107 12.918 -0.208 -3.524 1.00 0.00 H new ATOM 0 HE1 TYR A 107 9.477 2.990 -4.962 1.00 0.00 H new ATOM 0 HE2 TYR A 107 12.199 1.573 -2.005 1.00 0.00 H new ATOM 0 HH TYR A 107 9.459 3.619 -2.726 1.00 0.00 H new ATOM 1659 N LEU A 108 14.779 0.976 -6.815 1.00 0.00 N ATOM 1660 CA LEU A 108 15.606 2.157 -6.593 1.00 0.00 C ATOM 1661 C LEU A 108 15.563 3.101 -7.793 1.00 0.00 C ATOM 1662 O LEU A 108 15.842 4.294 -7.663 1.00 0.00 O ATOM 1663 CB LEU A 108 17.051 1.741 -6.314 1.00 0.00 C ATOM 1664 CG LEU A 108 17.319 1.218 -4.903 1.00 0.00 C ATOM 1665 CD1 LEU A 108 18.723 0.642 -4.808 1.00 0.00 C ATOM 1666 CD2 LEU A 108 17.129 2.328 -3.879 1.00 0.00 C ATOM 0 H LEU A 108 15.279 0.092 -6.726 1.00 0.00 H new ATOM 0 HA LEU A 108 15.206 2.687 -5.729 1.00 0.00 H new ATOM 0 HB2 LEU A 108 17.334 0.969 -7.030 1.00 0.00 H new ATOM 0 HB3 LEU A 108 17.700 2.598 -6.496 1.00 0.00 H new ATOM 0 HG LEU A 108 16.604 0.424 -4.688 1.00 0.00 H new ATOM 0 HD11 LEU A 108 18.898 0.274 -3.797 1.00 0.00 H new ATOM 0 HD12 LEU A 108 18.828 -0.180 -5.516 1.00 0.00 H new ATOM 0 HD13 LEU A 108 19.451 1.418 -5.042 1.00 0.00 H new ATOM 0 HD21 LEU A 108 17.324 1.938 -2.880 1.00 0.00 H new ATOM 0 HD22 LEU A 108 17.821 3.142 -4.092 1.00 0.00 H new ATOM 0 HD23 LEU A 108 16.105 2.699 -3.931 1.00 0.00 H new ATOM 1678 N GLU A 109 15.217 2.561 -8.956 1.00 0.00 N ATOM 1679 CA GLU A 109 15.141 3.358 -10.180 1.00 0.00 C ATOM 1680 C GLU A 109 14.198 4.547 -10.015 1.00 0.00 C ATOM 1681 O GLU A 109 14.245 5.498 -10.795 1.00 0.00 O ATOM 1682 CB GLU A 109 14.687 2.492 -11.357 1.00 0.00 C ATOM 1683 CG GLU A 109 15.699 1.429 -11.758 1.00 0.00 C ATOM 1684 CD GLU A 109 17.017 2.021 -12.220 1.00 0.00 C ATOM 1685 OE1 GLU A 109 17.889 2.270 -11.361 1.00 0.00 O ATOM 1686 OE2 GLU A 109 17.178 2.234 -13.440 1.00 0.00 O ATOM 0 H GLU A 109 14.984 1.576 -9.080 1.00 0.00 H new ATOM 0 HA GLU A 109 16.140 3.743 -10.384 1.00 0.00 H new ATOM 0 HB2 GLU A 109 13.746 2.006 -11.098 1.00 0.00 H new ATOM 0 HB3 GLU A 109 14.489 3.135 -12.215 1.00 0.00 H new ATOM 0 HG2 GLU A 109 15.880 0.767 -10.911 1.00 0.00 H new ATOM 0 HG3 GLU A 109 15.280 0.817 -12.557 1.00 0.00 H new ATOM 1693 N THR A 110 13.340 4.489 -8.999 1.00 0.00 N ATOM 1694 CA THR A 110 12.395 5.568 -8.738 1.00 0.00 C ATOM 1695 C THR A 110 12.962 6.557 -7.727 1.00 0.00 C ATOM 1696 O THR A 110 13.201 7.721 -8.052 1.00 0.00 O ATOM 1697 CB THR A 110 11.047 5.029 -8.222 1.00 0.00 C ATOM 1698 OG1 THR A 110 11.257 4.191 -7.079 1.00 0.00 O ATOM 1699 CG2 THR A 110 10.329 4.244 -9.309 1.00 0.00 C ATOM 0 H THR A 110 13.281 3.708 -8.346 1.00 0.00 H new ATOM 0 HA THR A 110 12.227 6.078 -9.686 1.00 0.00 H new ATOM 0 HB THR A 110 10.426 5.878 -7.937 1.00 0.00 H new ATOM 0 HG1 THR A 110 11.662 3.345 -7.364 1.00 0.00 H new ATOM 0 HG21 THR A 110 9.380 3.873 -8.923 1.00 0.00 H new ATOM 0 HG22 THR A 110 10.144 4.893 -10.165 1.00 0.00 H new ATOM 0 HG23 THR A 110 10.948 3.403 -9.620 1.00 0.00 H new ATOM 1707 N HIS A 111 13.177 6.090 -6.500 1.00 0.00 N ATOM 1708 CA HIS A 111 13.719 6.938 -5.444 1.00 0.00 C ATOM 1709 C HIS A 111 14.604 6.129 -4.504 1.00 0.00 C ATOM 1710 O HIS A 111 14.064 5.531 -3.550 1.00 0.00 O ATOM 1711 CB HIS A 111 12.587 7.599 -4.657 1.00 0.00 C ATOM 1712 CG HIS A 111 11.765 8.554 -5.466 1.00 0.00 C ATOM 1713 ND1 HIS A 111 10.664 8.165 -6.199 1.00 0.00 N ATOM 1714 CD2 HIS A 111 11.888 9.889 -5.656 1.00 0.00 C ATOM 1715 CE1 HIS A 111 10.145 9.218 -6.805 1.00 0.00 C ATOM 1716 NE2 HIS A 111 10.869 10.277 -6.491 1.00 0.00 N ATOM 1717 OXT HIS A 111 15.833 6.099 -4.731 1.00 0.00 O ATOM 0 H HIS A 111 12.984 5.130 -6.213 1.00 0.00 H new ATOM 0 HA HIS A 111 14.326 7.715 -5.910 1.00 0.00 H new ATOM 0 HB2 HIS A 111 11.935 6.823 -4.255 1.00 0.00 H new ATOM 0 HB3 HIS A 111 13.012 8.131 -3.805 1.00 0.00 H new ATOM 0 HD2 HIS A 111 12.646 10.529 -5.230 1.00 0.00 H new ATOM 0 HE1 HIS A 111 9.277 9.214 -7.447 1.00 0.00 H new ATOM 0 HE2 HIS A 111 10.699 11.229 -6.816 1.00 0.00 H new