USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=10 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 67:sc= 0.00732 USER MOD Single : A 32 SER OG : rot -59:sc= 1.18 USER MOD Single : A 33 ASN : amide:sc= -0.432 K(o=-0.43,f=-3!) USER MOD Single : A 48 ASN : amide:sc= -3.49! K(o=-3.5!,f=-0.55) USER MOD Single : A 50 GLN : amide:sc= -1.23 K(o=-1.2,f=-0.3) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot -23:sc= 0.291 USER MOD Single : A 71 SER OG : rot -83:sc= 0.719 USER MOD Single : A 76 SER OG : rot 172:sc= 1.25 USER MOD Single : A 79 GLN : amide:sc= -3.36! K(o=-3.4!,f=-0.95) USER MOD Single : A 89 MET CE :methyl -154:sc= -4.14! (180deg=-6.62!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -81:sc= 0.0603 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= -0.459 K(o=-0.46,f=-3.7!) USER MOD Single : A 107 TYR OH : rot -107:sc= -1.93 USER MOD Single : A 110 THR OG1 : rot -7:sc= 0.536 USER MOD Single : A 111 HIS : no HD1:sc= -0.283 K(o=-0.28,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 347 N ALA A 23 -12.073 -0.090 4.899 1.00 0.00 N ATOM 348 CA ALA A 23 -11.853 -1.515 4.690 1.00 0.00 C ATOM 349 C ALA A 23 -10.367 -1.855 4.650 1.00 0.00 C ATOM 350 O ALA A 23 -9.976 -2.909 4.150 1.00 0.00 O ATOM 351 CB ALA A 23 -12.525 -1.964 3.406 1.00 0.00 C ATOM 0 HA ALA A 23 -12.293 -2.046 5.534 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -12.354 -3.031 3.260 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -13.596 -1.774 3.470 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -12.108 -1.411 2.564 1.00 0.00 H new ATOM 357 N PHE A 24 -9.545 -0.959 5.182 1.00 0.00 N ATOM 358 CA PHE A 24 -8.107 -1.166 5.213 1.00 0.00 C ATOM 359 C PHE A 24 -7.754 -2.454 5.953 1.00 0.00 C ATOM 360 O PHE A 24 -7.015 -3.294 5.440 1.00 0.00 O ATOM 361 CB PHE A 24 -7.429 0.025 5.889 1.00 0.00 C ATOM 362 CG PHE A 24 -5.968 0.184 5.561 1.00 0.00 C ATOM 363 CD1 PHE A 24 -5.325 -0.676 4.680 1.00 0.00 C ATOM 364 CD2 PHE A 24 -5.238 1.205 6.141 1.00 0.00 C ATOM 365 CE1 PHE A 24 -3.988 -0.517 4.389 1.00 0.00 C ATOM 366 CE2 PHE A 24 -3.900 1.369 5.852 1.00 0.00 C ATOM 367 CZ PHE A 24 -3.272 0.507 4.975 1.00 0.00 C ATOM 0 H PHE A 24 -9.853 -0.080 5.598 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.750 -1.255 4.187 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -7.954 0.936 5.602 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.536 -0.077 6.969 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.880 -1.479 4.218 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -5.722 1.882 6.829 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.500 -1.193 3.703 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -3.343 2.172 6.312 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.224 0.634 4.748 1.00 0.00 H new ATOM 377 N GLU A 25 -8.283 -2.601 7.163 1.00 0.00 N ATOM 378 CA GLU A 25 -8.016 -3.787 7.974 1.00 0.00 C ATOM 379 C GLU A 25 -8.548 -5.072 7.328 1.00 0.00 C ATOM 380 O GLU A 25 -7.793 -6.029 7.179 1.00 0.00 O ATOM 381 CB GLU A 25 -8.594 -3.658 9.380 1.00 0.00 C ATOM 382 CG GLU A 25 -9.408 -2.394 9.619 1.00 0.00 C ATOM 383 CD GLU A 25 -10.092 -2.389 10.972 1.00 0.00 C ATOM 384 OE1 GLU A 25 -11.194 -2.966 11.082 1.00 0.00 O ATOM 385 OE2 GLU A 25 -9.526 -1.807 11.920 1.00 0.00 O ATOM 0 H GLU A 25 -8.898 -1.917 7.604 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.930 -3.857 8.039 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.225 -4.524 9.579 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.775 -3.688 10.099 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.754 -1.525 9.543 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -10.160 -2.297 8.836 1.00 0.00 H new ATOM 392 N PRO A 26 -9.858 -5.135 6.960 1.00 0.00 N ATOM 393 CA PRO A 26 -10.438 -6.330 6.338 1.00 0.00 C ATOM 394 C PRO A 26 -9.483 -6.953 5.337 1.00 0.00 C ATOM 395 O PRO A 26 -9.409 -8.173 5.192 1.00 0.00 O ATOM 396 CB PRO A 26 -11.675 -5.785 5.631 1.00 0.00 C ATOM 397 CG PRO A 26 -12.105 -4.620 6.455 1.00 0.00 C ATOM 398 CD PRO A 26 -10.863 -4.062 7.111 1.00 0.00 C ATOM 0 HA PRO A 26 -10.659 -7.116 7.060 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -11.445 -5.483 4.609 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -12.460 -6.538 5.572 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -12.586 -3.864 5.834 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -12.834 -4.926 7.206 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -10.537 -3.141 6.628 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -11.039 -3.826 8.161 1.00 0.00 H new ATOM 406 N LEU A 27 -8.756 -6.088 4.651 1.00 0.00 N ATOM 407 CA LEU A 27 -7.768 -6.502 3.674 1.00 0.00 C ATOM 408 C LEU A 27 -6.616 -7.216 4.369 1.00 0.00 C ATOM 409 O LEU A 27 -6.257 -8.340 4.021 1.00 0.00 O ATOM 410 CB LEU A 27 -7.248 -5.268 2.945 1.00 0.00 C ATOM 411 CG LEU A 27 -8.155 -4.730 1.834 1.00 0.00 C ATOM 412 CD1 LEU A 27 -7.558 -3.473 1.222 1.00 0.00 C ATOM 413 CD2 LEU A 27 -8.379 -5.789 0.762 1.00 0.00 C ATOM 0 H LEU A 27 -8.836 -5.077 4.757 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.224 -7.188 2.960 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.088 -4.475 3.676 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.275 -5.505 2.514 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.120 -4.477 2.273 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -8.215 -3.104 0.434 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.450 -2.709 1.992 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.580 -3.703 0.800 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.026 -5.386 -0.018 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.421 -6.075 0.327 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.851 -6.665 1.208 1.00 0.00 H new ATOM 425 N LEU A 28 -6.048 -6.537 5.358 1.00 0.00 N ATOM 426 CA LEU A 28 -4.943 -7.071 6.141 1.00 0.00 C ATOM 427 C LEU A 28 -5.364 -8.340 6.879 1.00 0.00 C ATOM 428 O LEU A 28 -4.525 -9.145 7.285 1.00 0.00 O ATOM 429 CB LEU A 28 -4.469 -6.009 7.139 1.00 0.00 C ATOM 430 CG LEU A 28 -3.497 -6.496 8.214 1.00 0.00 C ATOM 431 CD1 LEU A 28 -2.187 -6.948 7.587 1.00 0.00 C ATOM 432 CD2 LEU A 28 -3.248 -5.402 9.241 1.00 0.00 C ATOM 0 H LEU A 28 -6.341 -5.601 5.639 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.125 -7.329 5.468 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.992 -5.202 6.583 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.343 -5.584 7.632 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.946 -7.350 8.721 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.509 -7.291 8.368 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.380 -7.764 6.890 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.733 -6.114 7.053 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.554 -5.766 9.999 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.821 -4.529 8.747 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.190 -5.126 9.714 1.00 0.00 H new ATOM 444 N GLU A 29 -6.672 -8.514 7.040 1.00 0.00 N ATOM 445 CA GLU A 29 -7.217 -9.676 7.733 1.00 0.00 C ATOM 446 C GLU A 29 -7.154 -10.922 6.855 1.00 0.00 C ATOM 447 O GLU A 29 -6.793 -12.003 7.319 1.00 0.00 O ATOM 448 CB GLU A 29 -8.664 -9.407 8.151 1.00 0.00 C ATOM 449 CG GLU A 29 -9.271 -10.511 9.002 1.00 0.00 C ATOM 450 CD GLU A 29 -10.724 -10.245 9.350 1.00 0.00 C ATOM 451 OE1 GLU A 29 -11.605 -10.633 8.554 1.00 0.00 O ATOM 452 OE2 GLU A 29 -10.978 -9.646 10.416 1.00 0.00 O ATOM 0 H GLU A 29 -7.377 -7.861 6.698 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.611 -9.854 8.621 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.704 -8.470 8.706 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.272 -9.274 7.256 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.196 -11.459 8.469 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.694 -10.616 9.921 1.00 0.00 H new ATOM 459 N SER A 30 -7.510 -10.762 5.584 1.00 0.00 N ATOM 460 CA SER A 30 -7.501 -11.875 4.640 1.00 0.00 C ATOM 461 C SER A 30 -6.082 -12.380 4.389 1.00 0.00 C ATOM 462 O SER A 30 -5.891 -13.464 3.841 1.00 0.00 O ATOM 463 CB SER A 30 -8.146 -11.453 3.317 1.00 0.00 C ATOM 464 OG SER A 30 -9.488 -11.044 3.511 1.00 0.00 O ATOM 0 H SER A 30 -7.808 -9.872 5.184 1.00 0.00 H new ATOM 0 HA SER A 30 -8.078 -12.689 5.079 1.00 0.00 H new ATOM 0 HB2 SER A 30 -7.574 -10.637 2.874 1.00 0.00 H new ATOM 0 HB3 SER A 30 -8.114 -12.284 2.612 1.00 0.00 H new ATOM 0 HG SER A 30 -9.505 -10.215 4.034 1.00 0.00 H new ATOM 470 N LEU A 31 -5.092 -11.591 4.794 1.00 0.00 N ATOM 471 CA LEU A 31 -3.695 -11.966 4.607 1.00 0.00 C ATOM 472 C LEU A 31 -3.306 -13.124 5.520 1.00 0.00 C ATOM 473 O LEU A 31 -2.231 -13.708 5.373 1.00 0.00 O ATOM 474 CB LEU A 31 -2.779 -10.766 4.864 1.00 0.00 C ATOM 475 CG LEU A 31 -2.790 -9.698 3.769 1.00 0.00 C ATOM 476 CD1 LEU A 31 -1.941 -8.504 4.180 1.00 0.00 C ATOM 477 CD2 LEU A 31 -2.290 -10.279 2.453 1.00 0.00 C ATOM 0 H LEU A 31 -5.231 -10.690 5.253 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.574 -12.291 3.574 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.069 -10.302 5.806 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.758 -11.127 4.988 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.816 -9.359 3.629 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.960 -7.754 3.389 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.340 -8.073 5.098 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.914 -8.828 4.347 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.304 -9.506 1.685 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.271 -10.645 2.581 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.936 -11.103 2.150 1.00 0.00 H new ATOM 489 N SER A 32 -4.184 -13.455 6.460 1.00 0.00 N ATOM 490 CA SER A 32 -3.928 -14.548 7.391 1.00 0.00 C ATOM 491 C SER A 32 -4.699 -15.798 6.980 1.00 0.00 C ATOM 492 O SER A 32 -4.766 -16.772 7.729 1.00 0.00 O ATOM 493 CB SER A 32 -4.315 -14.140 8.813 1.00 0.00 C ATOM 494 OG SER A 32 -5.714 -13.941 8.924 1.00 0.00 O ATOM 0 H SER A 32 -5.078 -12.983 6.598 1.00 0.00 H new ATOM 0 HA SER A 32 -2.862 -14.772 7.366 1.00 0.00 H new ATOM 0 HB2 SER A 32 -3.997 -14.911 9.515 1.00 0.00 H new ATOM 0 HB3 SER A 32 -3.791 -13.224 9.087 1.00 0.00 H new ATOM 0 HG SER A 32 -5.995 -13.240 8.300 1.00 0.00 H new ATOM 500 N ASN A 33 -5.274 -15.764 5.782 1.00 0.00 N ATOM 501 CA ASN A 33 -6.042 -16.893 5.270 1.00 0.00 C ATOM 502 C ASN A 33 -5.126 -17.955 4.676 1.00 0.00 C ATOM 503 O ASN A 33 -4.085 -17.641 4.099 1.00 0.00 O ATOM 504 CB ASN A 33 -7.046 -16.424 4.216 1.00 0.00 C ATOM 505 CG ASN A 33 -8.197 -15.647 4.821 1.00 0.00 C ATOM 506 OD1 ASN A 33 -8.030 -14.935 5.812 1.00 0.00 O ATOM 507 ND2 ASN A 33 -9.377 -15.787 4.229 1.00 0.00 N ATOM 0 H ASN A 33 -5.223 -14.967 5.148 1.00 0.00 H new ATOM 0 HA ASN A 33 -6.584 -17.334 6.107 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -6.535 -15.799 3.483 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -7.437 -17.289 3.680 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -10.192 -15.294 4.593 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -9.469 -16.388 3.410 1.00 0.00 H new ATOM 514 N GLU A 34 -5.523 -19.214 4.827 1.00 0.00 N ATOM 515 CA GLU A 34 -4.741 -20.330 4.308 1.00 0.00 C ATOM 516 C GLU A 34 -4.739 -20.330 2.782 1.00 0.00 C ATOM 517 O GLU A 34 -3.893 -20.965 2.153 1.00 0.00 O ATOM 518 CB GLU A 34 -5.290 -21.659 4.831 1.00 0.00 C ATOM 519 CG GLU A 34 -5.366 -21.735 6.348 1.00 0.00 C ATOM 520 CD GLU A 34 -6.559 -20.989 6.914 1.00 0.00 C ATOM 521 OE1 GLU A 34 -7.677 -21.545 6.879 1.00 0.00 O ATOM 522 OE2 GLU A 34 -6.375 -19.852 7.395 1.00 0.00 O ATOM 0 H GLU A 34 -6.382 -19.487 5.305 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.715 -20.211 4.655 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.286 -21.818 4.418 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.660 -22.471 4.467 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.419 -22.780 6.653 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.451 -21.324 6.774 1.00 0.00 H new ATOM 529 N ASP A 35 -5.694 -19.613 2.194 1.00 0.00 N ATOM 530 CA ASP A 35 -5.802 -19.532 0.742 1.00 0.00 C ATOM 531 C ASP A 35 -4.764 -18.569 0.171 1.00 0.00 C ATOM 532 O ASP A 35 -4.475 -17.528 0.762 1.00 0.00 O ATOM 533 CB ASP A 35 -7.208 -19.087 0.337 1.00 0.00 C ATOM 534 CG ASP A 35 -8.269 -20.092 0.738 1.00 0.00 C ATOM 535 OD1 ASP A 35 -8.427 -21.104 0.025 1.00 0.00 O ATOM 536 OD2 ASP A 35 -8.943 -19.866 1.766 1.00 0.00 O ATOM 0 H ASP A 35 -6.402 -19.081 2.701 1.00 0.00 H new ATOM 0 HA ASP A 35 -5.612 -20.524 0.333 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.429 -18.125 0.799 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -7.242 -18.937 -0.742 1.00 0.00 H new ATOM 541 N TRP A 36 -4.210 -18.925 -0.985 1.00 0.00 N ATOM 542 CA TRP A 36 -3.203 -18.098 -1.636 1.00 0.00 C ATOM 543 C TRP A 36 -3.830 -17.205 -2.704 1.00 0.00 C ATOM 544 O TRP A 36 -3.264 -16.175 -3.073 1.00 0.00 O ATOM 545 CB TRP A 36 -2.118 -18.979 -2.259 1.00 0.00 C ATOM 546 CG TRP A 36 -2.666 -20.091 -3.102 1.00 0.00 C ATOM 547 CD1 TRP A 36 -3.187 -19.988 -4.358 1.00 0.00 C ATOM 548 CD2 TRP A 36 -2.744 -21.478 -2.749 1.00 0.00 C ATOM 549 NE1 TRP A 36 -3.585 -21.224 -4.808 1.00 0.00 N ATOM 550 CE2 TRP A 36 -3.323 -22.153 -3.839 1.00 0.00 C ATOM 551 CE3 TRP A 36 -2.379 -22.214 -1.618 1.00 0.00 C ATOM 552 CZ2 TRP A 36 -3.545 -23.526 -3.832 1.00 0.00 C ATOM 553 CZ3 TRP A 36 -2.602 -23.579 -1.612 1.00 0.00 C ATOM 554 CH2 TRP A 36 -3.180 -24.221 -2.714 1.00 0.00 C ATOM 0 H TRP A 36 -4.443 -19.781 -1.489 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.752 -17.457 -0.879 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -1.463 -18.358 -2.870 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -1.504 -19.404 -1.464 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -3.274 -19.069 -4.918 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -4.007 -21.417 -5.716 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.931 -21.726 -0.765 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -3.990 -24.025 -4.680 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.326 -24.159 -0.744 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -3.341 -25.288 -2.679 1.00 0.00 H new ATOM 565 N ARG A 37 -5.000 -17.603 -3.195 1.00 0.00 N ATOM 566 CA ARG A 37 -5.698 -16.835 -4.220 1.00 0.00 C ATOM 567 C ARG A 37 -6.278 -15.555 -3.632 1.00 0.00 C ATOM 568 O ARG A 37 -6.279 -14.505 -4.275 1.00 0.00 O ATOM 569 CB ARG A 37 -6.818 -17.670 -4.844 1.00 0.00 C ATOM 570 CG ARG A 37 -6.330 -18.921 -5.553 1.00 0.00 C ATOM 571 CD ARG A 37 -7.489 -19.725 -6.117 1.00 0.00 C ATOM 572 NE ARG A 37 -7.066 -21.042 -6.588 1.00 0.00 N ATOM 573 CZ ARG A 37 -7.910 -21.979 -7.010 1.00 0.00 C ATOM 574 NH1 ARG A 37 -9.214 -21.740 -7.033 1.00 0.00 N ATOM 575 NH2 ARG A 37 -7.450 -23.157 -7.412 1.00 0.00 N ATOM 0 H ARG A 37 -5.484 -18.451 -2.900 1.00 0.00 H new ATOM 0 HA ARG A 37 -4.977 -16.571 -4.994 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -7.522 -17.958 -4.063 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.366 -17.052 -5.555 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -5.651 -18.643 -6.359 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -5.762 -19.538 -4.857 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -8.255 -19.843 -5.350 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -7.945 -19.175 -6.940 1.00 0.00 H new ATOM 0 HE ARG A 37 -6.068 -21.254 -6.593 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -9.572 -20.835 -6.727 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -9.859 -22.461 -7.357 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -6.448 -23.345 -7.398 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -8.099 -23.875 -7.735 1.00 0.00 H new ATOM 589 N ILE A 38 -6.771 -15.655 -2.403 1.00 0.00 N ATOM 590 CA ILE A 38 -7.362 -14.514 -1.717 1.00 0.00 C ATOM 591 C ILE A 38 -6.280 -13.639 -1.094 1.00 0.00 C ATOM 592 O ILE A 38 -6.398 -12.412 -1.068 1.00 0.00 O ATOM 593 CB ILE A 38 -8.353 -14.966 -0.618 1.00 0.00 C ATOM 594 CG1 ILE A 38 -9.592 -15.632 -1.234 1.00 0.00 C ATOM 595 CG2 ILE A 38 -8.770 -13.783 0.245 1.00 0.00 C ATOM 596 CD1 ILE A 38 -9.306 -16.915 -1.985 1.00 0.00 C ATOM 0 H ILE A 38 -6.773 -16.518 -1.860 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.909 -13.937 -2.463 1.00 0.00 H new ATOM 0 HB ILE A 38 -7.846 -15.698 0.010 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -10.309 -15.842 -0.440 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -10.068 -14.926 -1.914 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -9.467 -14.120 1.012 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.889 -13.350 0.720 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -9.253 -13.030 -0.378 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -10.236 -17.317 -2.386 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -8.616 -16.711 -2.804 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -8.860 -17.642 -1.306 1.00 0.00 H new ATOM 608 N ARG A 39 -5.224 -14.275 -0.597 1.00 0.00 N ATOM 609 CA ARG A 39 -4.122 -13.553 0.026 1.00 0.00 C ATOM 610 C ARG A 39 -3.405 -12.682 -1.002 1.00 0.00 C ATOM 611 O ARG A 39 -2.787 -11.677 -0.655 1.00 0.00 O ATOM 612 CB ARG A 39 -3.133 -14.532 0.662 1.00 0.00 C ATOM 613 CG ARG A 39 -2.344 -13.933 1.815 1.00 0.00 C ATOM 614 CD ARG A 39 -1.209 -14.846 2.251 1.00 0.00 C ATOM 615 NE ARG A 39 -1.686 -16.178 2.619 1.00 0.00 N ATOM 616 CZ ARG A 39 -0.901 -17.251 2.678 1.00 0.00 C ATOM 617 NH1 ARG A 39 0.391 -17.148 2.396 1.00 0.00 N ATOM 618 NH2 ARG A 39 -1.409 -18.429 3.018 1.00 0.00 N ATOM 0 H ARG A 39 -5.109 -15.288 -0.614 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.532 -12.911 0.806 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.678 -15.405 1.020 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.438 -14.881 -0.101 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.939 -12.966 1.516 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.011 -13.753 2.658 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.482 -14.932 1.443 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.691 -14.400 3.100 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.675 -16.291 2.843 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.785 -16.245 2.133 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.990 -17.972 2.442 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.402 -18.513 3.234 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -0.806 -19.251 3.063 1.00 0.00 H new ATOM 632 N GLY A 40 -3.495 -13.080 -2.269 1.00 0.00 N ATOM 633 CA GLY A 40 -2.853 -12.330 -3.333 1.00 0.00 C ATOM 634 C GLY A 40 -3.495 -10.975 -3.557 1.00 0.00 C ATOM 635 O GLY A 40 -2.859 -9.944 -3.351 1.00 0.00 O ATOM 0 H GLY A 40 -4.002 -13.910 -2.577 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.799 -12.194 -3.092 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.897 -12.906 -4.257 1.00 0.00 H new ATOM 639 N ALA A 41 -4.756 -10.982 -3.986 1.00 0.00 N ATOM 640 CA ALA A 41 -5.492 -9.747 -4.236 1.00 0.00 C ATOM 641 C ALA A 41 -5.357 -8.786 -3.061 1.00 0.00 C ATOM 642 O ALA A 41 -5.225 -7.576 -3.251 1.00 0.00 O ATOM 643 CB ALA A 41 -6.958 -10.049 -4.507 1.00 0.00 C ATOM 0 H ALA A 41 -5.289 -11.832 -4.168 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.064 -9.269 -5.117 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.493 -9.118 -4.692 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.041 -10.695 -5.381 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.392 -10.552 -3.643 1.00 0.00 H new ATOM 649 N ALA A 42 -5.394 -9.330 -1.847 1.00 0.00 N ATOM 650 CA ALA A 42 -5.260 -8.516 -0.646 1.00 0.00 C ATOM 651 C ALA A 42 -3.952 -7.739 -0.680 1.00 0.00 C ATOM 652 O ALA A 42 -3.945 -6.515 -0.573 1.00 0.00 O ATOM 653 CB ALA A 42 -5.332 -9.387 0.598 1.00 0.00 C ATOM 0 H ALA A 42 -5.515 -10.327 -1.671 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.085 -7.805 -0.613 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.230 -8.763 1.486 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.292 -9.903 0.626 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.526 -10.120 0.576 1.00 0.00 H new ATOM 659 N ALA A 43 -2.848 -8.464 -0.841 1.00 0.00 N ATOM 660 CA ALA A 43 -1.528 -7.852 -0.909 1.00 0.00 C ATOM 661 C ALA A 43 -1.461 -6.873 -2.070 1.00 0.00 C ATOM 662 O ALA A 43 -0.787 -5.846 -1.999 1.00 0.00 O ATOM 663 CB ALA A 43 -0.464 -8.923 -1.075 1.00 0.00 C ATOM 0 H ALA A 43 -2.844 -9.480 -0.927 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.346 -7.311 0.020 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.519 -8.455 -1.125 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.498 -9.605 -0.225 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.648 -9.479 -1.994 1.00 0.00 H new ATOM 669 N TRP A 44 -2.174 -7.209 -3.139 1.00 0.00 N ATOM 670 CA TRP A 44 -2.214 -6.382 -4.336 1.00 0.00 C ATOM 671 C TRP A 44 -2.872 -5.033 -4.053 1.00 0.00 C ATOM 672 O TRP A 44 -2.548 -4.026 -4.683 1.00 0.00 O ATOM 673 CB TRP A 44 -2.963 -7.121 -5.446 1.00 0.00 C ATOM 674 CG TRP A 44 -2.075 -8.014 -6.258 1.00 0.00 C ATOM 675 CD1 TRP A 44 -1.208 -8.954 -5.784 1.00 0.00 C ATOM 676 CD2 TRP A 44 -1.963 -8.049 -7.686 1.00 0.00 C ATOM 677 NE1 TRP A 44 -0.557 -9.566 -6.827 1.00 0.00 N ATOM 678 CE2 TRP A 44 -1.005 -9.030 -8.004 1.00 0.00 C ATOM 679 CE3 TRP A 44 -2.579 -7.347 -8.725 1.00 0.00 C ATOM 680 CZ2 TRP A 44 -0.648 -9.325 -9.316 1.00 0.00 C ATOM 681 CZ3 TRP A 44 -2.225 -7.642 -10.029 1.00 0.00 C ATOM 682 CH2 TRP A 44 -1.267 -8.623 -10.315 1.00 0.00 C ATOM 0 H TRP A 44 -2.737 -8.057 -3.199 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.191 -6.189 -4.659 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -3.761 -7.717 -5.004 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -3.436 -6.393 -6.104 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.055 -9.184 -4.740 1.00 0.00 H new ATOM 0 HE1 TRP A 44 0.146 -10.300 -6.739 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.318 -6.588 -8.514 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 0.091 -10.081 -9.538 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -2.695 -7.107 -10.841 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -1.012 -8.830 -11.344 1.00 0.00 H new ATOM 693 N ILE A 45 -3.802 -5.024 -3.101 1.00 0.00 N ATOM 694 CA ILE A 45 -4.515 -3.806 -2.727 1.00 0.00 C ATOM 695 C ILE A 45 -3.910 -3.170 -1.473 1.00 0.00 C ATOM 696 O ILE A 45 -4.127 -1.991 -1.193 1.00 0.00 O ATOM 697 CB ILE A 45 -6.013 -4.092 -2.484 1.00 0.00 C ATOM 698 CG1 ILE A 45 -6.627 -4.762 -3.717 1.00 0.00 C ATOM 699 CG2 ILE A 45 -6.759 -2.808 -2.149 1.00 0.00 C ATOM 700 CD1 ILE A 45 -8.041 -5.259 -3.500 1.00 0.00 C ATOM 0 H ILE A 45 -4.080 -5.851 -2.573 1.00 0.00 H new ATOM 0 HA ILE A 45 -4.415 -3.109 -3.559 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.104 -4.769 -1.634 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.624 -4.052 -4.544 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.998 -5.601 -4.014 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -7.812 -3.032 -1.982 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.335 -2.365 -1.248 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.665 -2.106 -2.977 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -8.409 -5.721 -4.416 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.049 -5.993 -2.695 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -8.684 -4.421 -3.233 1.00 0.00 H new ATOM 712 N ILE A 46 -3.153 -3.963 -0.723 1.00 0.00 N ATOM 713 CA ILE A 46 -2.524 -3.498 0.511 1.00 0.00 C ATOM 714 C ILE A 46 -1.755 -2.188 0.314 1.00 0.00 C ATOM 715 O ILE A 46 -2.081 -1.174 0.932 1.00 0.00 O ATOM 716 CB ILE A 46 -1.575 -4.581 1.087 1.00 0.00 C ATOM 717 CG1 ILE A 46 -2.360 -5.592 1.930 1.00 0.00 C ATOM 718 CG2 ILE A 46 -0.455 -3.960 1.912 1.00 0.00 C ATOM 719 CD1 ILE A 46 -3.028 -4.993 3.151 1.00 0.00 C ATOM 0 H ILE A 46 -2.958 -4.938 -0.949 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.329 -3.308 1.220 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.120 -5.103 0.245 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.121 -6.057 1.304 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.684 -6.384 2.251 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.191 -4.748 2.300 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.130 -3.288 1.284 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.883 -3.399 2.743 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.562 -5.773 3.693 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.271 -4.553 3.801 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.732 -4.221 2.839 1.00 0.00 H new ATOM 731 N GLY A 47 -0.744 -2.210 -0.550 1.00 0.00 N ATOM 732 CA GLY A 47 0.068 -1.024 -0.779 1.00 0.00 C ATOM 733 C GLY A 47 -0.667 0.100 -1.485 1.00 0.00 C ATOM 734 O GLY A 47 -0.108 1.179 -1.681 1.00 0.00 O ATOM 0 H GLY A 47 -0.471 -3.027 -1.096 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.436 -0.658 0.179 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.940 -1.302 -1.371 1.00 0.00 H new ATOM 738 N ASN A 48 -1.914 -0.138 -1.871 1.00 0.00 N ATOM 739 CA ASN A 48 -2.698 0.884 -2.558 1.00 0.00 C ATOM 740 C ASN A 48 -3.082 2.015 -1.605 1.00 0.00 C ATOM 741 O ASN A 48 -3.750 2.969 -2.002 1.00 0.00 O ATOM 742 CB ASN A 48 -3.959 0.275 -3.176 1.00 0.00 C ATOM 743 CG ASN A 48 -3.660 -0.646 -4.346 1.00 0.00 C ATOM 744 OD1 ASN A 48 -4.460 -0.765 -5.275 1.00 0.00 O ATOM 745 ND2 ASN A 48 -2.507 -1.307 -4.312 1.00 0.00 N ATOM 0 H ASN A 48 -2.402 -1.021 -1.723 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.078 1.296 -3.354 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.499 -0.282 -2.411 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.617 1.077 -3.511 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -2.259 -1.939 -5.073 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -1.870 -1.182 -3.525 1.00 0.00 H new ATOM 752 N PHE A 49 -2.658 1.905 -0.347 1.00 0.00 N ATOM 753 CA PHE A 49 -2.966 2.920 0.659 1.00 0.00 C ATOM 754 C PHE A 49 -1.746 3.777 0.992 1.00 0.00 C ATOM 755 O PHE A 49 -1.885 4.903 1.471 1.00 0.00 O ATOM 756 CB PHE A 49 -3.488 2.260 1.935 1.00 0.00 C ATOM 757 CG PHE A 49 -4.838 1.623 1.774 1.00 0.00 C ATOM 758 CD1 PHE A 49 -4.970 0.403 1.134 1.00 0.00 C ATOM 759 CD2 PHE A 49 -5.972 2.245 2.268 1.00 0.00 C ATOM 760 CE1 PHE A 49 -6.210 -0.187 0.988 1.00 0.00 C ATOM 761 CE2 PHE A 49 -7.216 1.660 2.124 1.00 0.00 C ATOM 762 CZ PHE A 49 -7.334 0.443 1.485 1.00 0.00 C ATOM 0 H PHE A 49 -2.101 1.124 -0.000 1.00 0.00 H new ATOM 0 HA PHE A 49 -3.734 3.570 0.240 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -2.775 1.503 2.260 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -3.541 3.008 2.726 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.093 -0.093 0.744 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.884 3.197 2.771 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -6.301 -1.139 0.486 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -8.094 2.155 2.511 1.00 0.00 H new ATOM 0 HZ PHE A 49 -8.305 -0.017 1.373 1.00 0.00 H new ATOM 772 N GLN A 50 -0.555 3.238 0.742 1.00 0.00 N ATOM 773 CA GLN A 50 0.690 3.954 1.023 1.00 0.00 C ATOM 774 C GLN A 50 0.827 4.244 2.511 1.00 0.00 C ATOM 775 O GLN A 50 1.584 5.126 2.916 1.00 0.00 O ATOM 776 CB GLN A 50 0.752 5.263 0.234 1.00 0.00 C ATOM 777 CG GLN A 50 0.854 5.055 -1.262 1.00 0.00 C ATOM 778 CD GLN A 50 -0.457 5.300 -1.980 1.00 0.00 C ATOM 779 OE1 GLN A 50 -0.755 6.423 -2.386 1.00 0.00 O ATOM 780 NE2 GLN A 50 -1.250 4.247 -2.142 1.00 0.00 N ATOM 0 H GLN A 50 -0.424 2.307 0.345 1.00 0.00 H new ATOM 0 HA GLN A 50 1.517 3.315 0.713 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.138 5.853 0.452 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.610 5.843 0.573 1.00 0.00 H new ATOM 0 HG2 GLN A 50 1.615 5.723 -1.666 1.00 0.00 H new ATOM 0 HG3 GLN A 50 1.187 4.036 -1.461 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -0.963 3.334 -1.789 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -2.146 4.352 -2.619 1.00 0.00 H new ATOM 789 N ASP A 51 0.099 3.489 3.321 1.00 0.00 N ATOM 790 CA ASP A 51 0.138 3.668 4.768 1.00 0.00 C ATOM 791 C ASP A 51 1.100 2.682 5.418 1.00 0.00 C ATOM 792 O ASP A 51 1.616 1.774 4.767 1.00 0.00 O ATOM 793 CB ASP A 51 -1.256 3.492 5.368 1.00 0.00 C ATOM 794 CG ASP A 51 -1.454 4.321 6.622 1.00 0.00 C ATOM 795 OD1 ASP A 51 -1.538 5.562 6.506 1.00 0.00 O ATOM 796 OD2 ASP A 51 -1.529 3.730 7.720 1.00 0.00 O ATOM 0 H ASP A 51 -0.525 2.748 3.003 1.00 0.00 H new ATOM 0 HA ASP A 51 0.490 4.681 4.965 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.005 3.773 4.628 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.418 2.440 5.602 1.00 0.00 H new ATOM 801 N GLU A 52 1.333 2.874 6.711 1.00 0.00 N ATOM 802 CA GLU A 52 2.225 2.010 7.471 1.00 0.00 C ATOM 803 C GLU A 52 1.657 0.596 7.587 1.00 0.00 C ATOM 804 O GLU A 52 2.403 -0.382 7.600 1.00 0.00 O ATOM 805 CB GLU A 52 2.458 2.599 8.865 1.00 0.00 C ATOM 806 CG GLU A 52 3.152 1.648 9.821 1.00 0.00 C ATOM 807 CD GLU A 52 3.287 2.222 11.219 1.00 0.00 C ATOM 808 OE1 GLU A 52 4.283 2.931 11.476 1.00 0.00 O ATOM 809 OE2 GLU A 52 2.397 1.962 12.056 1.00 0.00 O ATOM 0 H GLU A 52 0.913 3.626 7.257 1.00 0.00 H new ATOM 0 HA GLU A 52 3.175 1.950 6.941 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.055 3.506 8.771 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.498 2.892 9.291 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.593 0.714 9.868 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.142 1.408 9.434 1.00 0.00 H new ATOM 816 N ARG A 53 0.334 0.495 7.673 1.00 0.00 N ATOM 817 CA ARG A 53 -0.329 -0.800 7.794 1.00 0.00 C ATOM 818 C ARG A 53 -0.157 -1.625 6.524 1.00 0.00 C ATOM 819 O ARG A 53 -0.418 -2.828 6.510 1.00 0.00 O ATOM 820 CB ARG A 53 -1.820 -0.603 8.092 1.00 0.00 C ATOM 821 CG ARG A 53 -2.586 -1.903 8.281 1.00 0.00 C ATOM 822 CD ARG A 53 -3.966 -1.654 8.864 1.00 0.00 C ATOM 823 NE ARG A 53 -3.897 -0.977 10.156 1.00 0.00 N ATOM 824 CZ ARG A 53 -4.961 -0.510 10.803 1.00 0.00 C ATOM 825 NH1 ARG A 53 -6.172 -0.651 10.283 1.00 0.00 N ATOM 826 NH2 ARG A 53 -4.813 0.096 11.973 1.00 0.00 N ATOM 0 H ARG A 53 -0.300 1.294 7.661 1.00 0.00 H new ATOM 0 HA ARG A 53 0.134 -1.342 8.619 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.924 0.003 8.992 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.273 -0.041 7.275 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.681 -2.414 7.323 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.025 -2.565 8.941 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.550 -1.051 8.169 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.488 -2.604 8.979 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.980 -0.855 10.587 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.290 -1.119 9.384 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.986 -0.292 10.782 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.883 0.204 12.377 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.629 0.454 12.469 1.00 0.00 H new ATOM 840 N ALA A 54 0.295 -0.974 5.459 1.00 0.00 N ATOM 841 CA ALA A 54 0.489 -1.643 4.181 1.00 0.00 C ATOM 842 C ALA A 54 1.956 -1.971 3.927 1.00 0.00 C ATOM 843 O ALA A 54 2.312 -2.430 2.845 1.00 0.00 O ATOM 844 CB ALA A 54 -0.053 -0.776 3.056 1.00 0.00 C ATOM 0 H ALA A 54 0.534 0.018 5.456 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.058 -2.586 4.214 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.095 -1.283 2.102 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.117 -0.601 3.212 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.474 0.178 3.046 1.00 0.00 H new ATOM 850 N VAL A 55 2.804 -1.735 4.922 1.00 0.00 N ATOM 851 CA VAL A 55 4.232 -1.998 4.778 1.00 0.00 C ATOM 852 C VAL A 55 4.617 -3.402 5.250 1.00 0.00 C ATOM 853 O VAL A 55 5.452 -4.059 4.631 1.00 0.00 O ATOM 854 CB VAL A 55 5.073 -0.944 5.534 1.00 0.00 C ATOM 855 CG1 VAL A 55 5.259 -1.318 6.999 1.00 0.00 C ATOM 856 CG2 VAL A 55 6.416 -0.746 4.849 1.00 0.00 C ATOM 0 H VAL A 55 2.530 -1.364 5.832 1.00 0.00 H new ATOM 0 HA VAL A 55 4.450 -1.932 3.712 1.00 0.00 H new ATOM 0 HB VAL A 55 4.527 -0.001 5.508 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.855 -0.553 7.497 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.285 -1.391 7.482 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.770 -2.278 7.067 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.996 -0.001 5.394 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.960 -1.690 4.835 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.256 -0.405 3.826 1.00 0.00 H new ATOM 866 N GLU A 56 4.006 -3.858 6.343 1.00 0.00 N ATOM 867 CA GLU A 56 4.314 -5.176 6.893 1.00 0.00 C ATOM 868 C GLU A 56 4.020 -6.294 5.890 1.00 0.00 C ATOM 869 O GLU A 56 4.884 -7.134 5.641 1.00 0.00 O ATOM 870 CB GLU A 56 3.555 -5.423 8.198 1.00 0.00 C ATOM 871 CG GLU A 56 3.809 -6.801 8.784 1.00 0.00 C ATOM 872 CD GLU A 56 3.296 -6.937 10.204 1.00 0.00 C ATOM 873 OE1 GLU A 56 2.081 -7.176 10.375 1.00 0.00 O ATOM 874 OE2 GLU A 56 4.106 -6.801 11.144 1.00 0.00 O ATOM 0 H GLU A 56 3.299 -3.337 6.862 1.00 0.00 H new ATOM 0 HA GLU A 56 5.383 -5.188 7.106 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.843 -4.666 8.927 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.487 -5.303 8.018 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.330 -7.552 8.156 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.879 -7.007 8.768 1.00 0.00 H new ATOM 881 N PRO A 57 2.802 -6.337 5.305 1.00 0.00 N ATOM 882 CA PRO A 57 2.449 -7.370 4.327 1.00 0.00 C ATOM 883 C PRO A 57 3.537 -7.545 3.280 1.00 0.00 C ATOM 884 O PRO A 57 3.983 -8.658 3.008 1.00 0.00 O ATOM 885 CB PRO A 57 1.172 -6.827 3.689 1.00 0.00 C ATOM 886 CG PRO A 57 0.547 -5.992 4.752 1.00 0.00 C ATOM 887 CD PRO A 57 1.684 -5.397 5.539 1.00 0.00 C ATOM 0 HA PRO A 57 2.324 -8.352 4.783 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.393 -6.237 2.800 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.509 -7.635 3.379 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -0.077 -5.211 4.317 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.097 -6.595 5.393 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.927 -4.392 5.194 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.441 -5.320 6.599 1.00 0.00 H new ATOM 895 N LEU A 58 3.976 -6.429 2.712 1.00 0.00 N ATOM 896 CA LEU A 58 5.012 -6.442 1.687 1.00 0.00 C ATOM 897 C LEU A 58 6.283 -7.123 2.189 1.00 0.00 C ATOM 898 O LEU A 58 6.951 -7.833 1.439 1.00 0.00 O ATOM 899 CB LEU A 58 5.327 -5.010 1.247 1.00 0.00 C ATOM 900 CG LEU A 58 4.111 -4.089 1.128 1.00 0.00 C ATOM 901 CD1 LEU A 58 4.546 -2.671 0.797 1.00 0.00 C ATOM 902 CD2 LEU A 58 3.143 -4.610 0.075 1.00 0.00 C ATOM 0 H LEU A 58 3.629 -5.499 2.945 1.00 0.00 H new ATOM 0 HA LEU A 58 4.638 -7.011 0.836 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.027 -4.573 1.959 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.833 -5.045 0.282 1.00 0.00 H new ATOM 0 HG LEU A 58 3.597 -4.076 2.089 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.668 -2.030 0.716 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.197 -2.296 1.587 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.086 -2.668 -0.150 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.285 -3.941 0.006 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.646 -4.656 -0.891 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.803 -5.607 0.355 1.00 0.00 H new ATOM 914 N ILE A 59 6.608 -6.908 3.460 1.00 0.00 N ATOM 915 CA ILE A 59 7.807 -7.493 4.054 1.00 0.00 C ATOM 916 C ILE A 59 7.764 -9.019 4.043 1.00 0.00 C ATOM 917 O ILE A 59 8.631 -9.672 3.461 1.00 0.00 O ATOM 918 CB ILE A 59 8.010 -7.005 5.506 1.00 0.00 C ATOM 919 CG1 ILE A 59 8.209 -5.485 5.540 1.00 0.00 C ATOM 920 CG2 ILE A 59 9.195 -7.714 6.152 1.00 0.00 C ATOM 921 CD1 ILE A 59 9.431 -5.007 4.781 1.00 0.00 C ATOM 0 H ILE A 59 6.059 -6.333 4.099 1.00 0.00 H new ATOM 0 HA ILE A 59 8.645 -7.162 3.440 1.00 0.00 H new ATOM 0 HB ILE A 59 7.114 -7.248 6.077 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.324 -5.003 5.124 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.289 -5.162 6.578 1.00 0.00 H new ATOM 0 HG21 ILE A 59 9.320 -7.356 7.174 1.00 0.00 H new ATOM 0 HG22 ILE A 59 9.014 -8.789 6.164 1.00 0.00 H new ATOM 0 HG23 ILE A 59 10.100 -7.505 5.581 1.00 0.00 H new ATOM 0 HD11 ILE A 59 9.502 -3.922 4.852 1.00 0.00 H new ATOM 0 HD12 ILE A 59 10.326 -5.458 5.210 1.00 0.00 H new ATOM 0 HD13 ILE A 59 9.345 -5.297 3.734 1.00 0.00 H new ATOM 933 N LYS A 60 6.750 -9.578 4.690 1.00 0.00 N ATOM 934 CA LYS A 60 6.592 -11.028 4.785 1.00 0.00 C ATOM 935 C LYS A 60 6.216 -11.660 3.445 1.00 0.00 C ATOM 936 O LYS A 60 6.221 -12.884 3.308 1.00 0.00 O ATOM 937 CB LYS A 60 5.518 -11.362 5.824 1.00 0.00 C ATOM 938 CG LYS A 60 5.541 -10.457 7.050 1.00 0.00 C ATOM 939 CD LYS A 60 6.849 -10.578 7.819 1.00 0.00 C ATOM 940 CE LYS A 60 7.033 -11.972 8.398 1.00 0.00 C ATOM 941 NZ LYS A 60 8.344 -12.119 9.087 1.00 0.00 N ATOM 0 H LYS A 60 6.018 -9.047 5.161 1.00 0.00 H new ATOM 0 HA LYS A 60 7.554 -11.441 5.087 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.537 -11.294 5.353 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.646 -12.396 6.145 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.396 -9.422 6.740 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.709 -10.713 7.706 1.00 0.00 H new ATOM 0 HD2 LYS A 60 7.683 -10.346 7.157 1.00 0.00 H new ATOM 0 HD3 LYS A 60 6.867 -9.844 8.624 1.00 0.00 H new ATOM 0 HE2 LYS A 60 6.228 -12.182 9.102 1.00 0.00 H new ATOM 0 HE3 LYS A 60 6.958 -12.710 7.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 8.430 -13.083 9.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 9.114 -11.944 8.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 8.406 -11.433 9.866 1.00 0.00 H new ATOM 955 N LEU A 61 5.894 -10.828 2.463 1.00 0.00 N ATOM 956 CA LEU A 61 5.482 -11.314 1.147 1.00 0.00 C ATOM 957 C LEU A 61 6.661 -11.554 0.206 1.00 0.00 C ATOM 958 O LEU A 61 6.716 -12.576 -0.478 1.00 0.00 O ATOM 959 CB LEU A 61 4.517 -10.317 0.514 1.00 0.00 C ATOM 960 CG LEU A 61 3.026 -10.591 0.729 1.00 0.00 C ATOM 961 CD1 LEU A 61 2.758 -11.230 2.087 1.00 0.00 C ATOM 962 CD2 LEU A 61 2.238 -9.301 0.590 1.00 0.00 C ATOM 0 H LEU A 61 5.909 -9.812 2.550 1.00 0.00 H new ATOM 0 HA LEU A 61 4.993 -12.276 1.299 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.743 -9.325 0.905 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.709 -10.288 -0.559 1.00 0.00 H new ATOM 0 HG LEU A 61 2.703 -11.298 -0.035 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.689 -11.408 2.201 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.293 -12.177 2.155 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.100 -10.562 2.877 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.178 -9.504 0.744 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.582 -8.583 1.334 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.387 -8.889 -0.408 1.00 0.00 H new ATOM 974 N LEU A 62 7.603 -10.617 0.174 1.00 0.00 N ATOM 975 CA LEU A 62 8.765 -10.726 -0.698 1.00 0.00 C ATOM 976 C LEU A 62 9.554 -11.986 -0.384 1.00 0.00 C ATOM 977 O LEU A 62 10.450 -12.379 -1.133 1.00 0.00 O ATOM 978 CB LEU A 62 9.646 -9.493 -0.533 1.00 0.00 C ATOM 979 CG LEU A 62 8.946 -8.170 -0.841 1.00 0.00 C ATOM 980 CD1 LEU A 62 9.538 -7.043 -0.008 1.00 0.00 C ATOM 981 CD2 LEU A 62 9.046 -7.853 -2.325 1.00 0.00 C ATOM 0 H LEU A 62 7.583 -9.771 0.744 1.00 0.00 H new ATOM 0 HA LEU A 62 8.426 -10.788 -1.732 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.019 -9.463 0.491 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.513 -9.591 -1.186 1.00 0.00 H new ATOM 0 HG LEU A 62 7.892 -8.266 -0.579 1.00 0.00 H new ATOM 0 HD11 LEU A 62 9.026 -6.110 -0.242 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.414 -7.269 1.051 1.00 0.00 H new ATOM 0 HD13 LEU A 62 10.599 -6.941 -0.235 1.00 0.00 H new ATOM 0 HD21 LEU A 62 8.543 -6.908 -2.530 1.00 0.00 H new ATOM 0 HD22 LEU A 62 10.095 -7.775 -2.611 1.00 0.00 H new ATOM 0 HD23 LEU A 62 8.572 -8.648 -2.900 1.00 0.00 H new ATOM 993 N GLU A 63 9.210 -12.613 0.730 1.00 0.00 N ATOM 994 CA GLU A 63 9.873 -13.827 1.162 1.00 0.00 C ATOM 995 C GLU A 63 8.906 -15.008 1.175 1.00 0.00 C ATOM 996 O GLU A 63 9.326 -16.163 1.247 1.00 0.00 O ATOM 997 CB GLU A 63 10.469 -13.616 2.551 1.00 0.00 C ATOM 998 CG GLU A 63 9.467 -13.123 3.581 1.00 0.00 C ATOM 999 CD GLU A 63 10.027 -13.141 4.990 1.00 0.00 C ATOM 1000 OE1 GLU A 63 10.812 -12.232 5.328 1.00 0.00 O ATOM 1001 OE2 GLU A 63 9.681 -14.067 5.755 1.00 0.00 O ATOM 0 H GLU A 63 8.468 -12.295 1.354 1.00 0.00 H new ATOM 0 HA GLU A 63 10.670 -14.057 0.456 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.900 -14.555 2.898 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.286 -12.898 2.480 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.160 -12.108 3.328 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.573 -13.745 3.541 1.00 0.00 H new ATOM 1008 N ASP A 64 7.610 -14.711 1.105 1.00 0.00 N ATOM 1009 CA ASP A 64 6.583 -15.749 1.115 1.00 0.00 C ATOM 1010 C ASP A 64 6.732 -16.684 -0.077 1.00 0.00 C ATOM 1011 O ASP A 64 6.274 -17.827 -0.046 1.00 0.00 O ATOM 1012 CB ASP A 64 5.187 -15.119 1.121 1.00 0.00 C ATOM 1013 CG ASP A 64 4.091 -16.144 1.342 1.00 0.00 C ATOM 1014 OD1 ASP A 64 4.391 -17.230 1.882 1.00 0.00 O ATOM 1015 OD2 ASP A 64 2.931 -15.861 0.976 1.00 0.00 O ATOM 0 H ASP A 64 7.247 -13.760 1.041 1.00 0.00 H new ATOM 0 HA ASP A 64 6.711 -16.337 2.024 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.136 -14.362 1.904 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.018 -14.609 0.173 1.00 0.00 H new ATOM 1020 N ASP A 65 7.381 -16.180 -1.118 1.00 0.00 N ATOM 1021 CA ASP A 65 7.621 -16.940 -2.349 1.00 0.00 C ATOM 1022 C ASP A 65 6.403 -17.755 -2.768 1.00 0.00 C ATOM 1023 O ASP A 65 6.533 -18.829 -3.355 1.00 0.00 O ATOM 1024 CB ASP A 65 8.827 -17.858 -2.180 1.00 0.00 C ATOM 1025 CG ASP A 65 8.638 -18.886 -1.082 1.00 0.00 C ATOM 1026 OD1 ASP A 65 8.059 -19.957 -1.364 1.00 0.00 O ATOM 1027 OD2 ASP A 65 9.072 -18.622 0.058 1.00 0.00 O ATOM 0 H ASP A 65 7.758 -15.233 -1.138 1.00 0.00 H new ATOM 0 HA ASP A 65 7.822 -16.217 -3.139 1.00 0.00 H new ATOM 0 HB2 ASP A 65 9.021 -18.371 -3.122 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.708 -17.255 -1.958 1.00 0.00 H new ATOM 1032 N SER A 66 5.225 -17.233 -2.474 1.00 0.00 N ATOM 1033 CA SER A 66 3.979 -17.912 -2.820 1.00 0.00 C ATOM 1034 C SER A 66 3.541 -17.571 -4.243 1.00 0.00 C ATOM 1035 O SER A 66 2.603 -18.168 -4.771 1.00 0.00 O ATOM 1036 CB SER A 66 2.876 -17.531 -1.831 1.00 0.00 C ATOM 1037 OG SER A 66 1.714 -18.315 -2.040 1.00 0.00 O ATOM 0 H SER A 66 5.100 -16.341 -1.996 1.00 0.00 H new ATOM 0 HA SER A 66 4.156 -18.986 -2.765 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.234 -17.669 -0.811 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.631 -16.475 -1.943 1.00 0.00 H new ATOM 0 HG SER A 66 1.709 -18.653 -2.960 1.00 0.00 H new ATOM 1043 N GLY A 67 4.225 -16.609 -4.855 1.00 0.00 N ATOM 1044 CA GLY A 67 3.888 -16.203 -6.208 1.00 0.00 C ATOM 1045 C GLY A 67 2.937 -15.024 -6.233 1.00 0.00 C ATOM 1046 O GLY A 67 3.368 -13.878 -6.334 1.00 0.00 O ATOM 0 H GLY A 67 5.007 -16.103 -4.438 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.800 -15.943 -6.745 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.436 -17.043 -6.735 1.00 0.00 H new ATOM 1050 N PHE A 68 1.639 -15.303 -6.154 1.00 0.00 N ATOM 1051 CA PHE A 68 0.627 -14.250 -6.149 1.00 0.00 C ATOM 1052 C PHE A 68 0.834 -13.353 -4.934 1.00 0.00 C ATOM 1053 O PHE A 68 0.767 -12.127 -5.026 1.00 0.00 O ATOM 1054 CB PHE A 68 -0.772 -14.873 -6.102 1.00 0.00 C ATOM 1055 CG PHE A 68 -1.901 -13.984 -6.577 1.00 0.00 C ATOM 1056 CD1 PHE A 68 -1.777 -12.596 -6.640 1.00 0.00 C ATOM 1057 CD2 PHE A 68 -3.105 -14.556 -6.960 1.00 0.00 C ATOM 1058 CE1 PHE A 68 -2.833 -11.814 -7.075 1.00 0.00 C ATOM 1059 CE2 PHE A 68 -4.159 -13.774 -7.393 1.00 0.00 C ATOM 1060 CZ PHE A 68 -4.023 -12.403 -7.451 1.00 0.00 C ATOM 0 H PHE A 68 1.263 -16.249 -6.093 1.00 0.00 H new ATOM 0 HA PHE A 68 0.720 -13.656 -7.058 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.767 -15.779 -6.708 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -0.980 -15.177 -5.076 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.849 -12.128 -6.347 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -3.221 -15.629 -6.919 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.725 -10.740 -7.120 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.090 -14.237 -7.686 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.846 -11.791 -7.790 1.00 0.00 H new ATOM 1070 N VAL A 69 1.102 -13.986 -3.799 1.00 0.00 N ATOM 1071 CA VAL A 69 1.320 -13.272 -2.551 1.00 0.00 C ATOM 1072 C VAL A 69 2.625 -12.479 -2.585 1.00 0.00 C ATOM 1073 O VAL A 69 2.648 -11.293 -2.256 1.00 0.00 O ATOM 1074 CB VAL A 69 1.343 -14.242 -1.355 1.00 0.00 C ATOM 1075 CG1 VAL A 69 1.187 -13.488 -0.047 1.00 0.00 C ATOM 1076 CG2 VAL A 69 0.258 -15.298 -1.503 1.00 0.00 C ATOM 0 H VAL A 69 1.174 -15.000 -3.719 1.00 0.00 H new ATOM 0 HA VAL A 69 0.489 -12.577 -2.431 1.00 0.00 H new ATOM 0 HB VAL A 69 2.310 -14.745 -1.341 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.206 -14.193 0.784 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.005 -12.776 0.062 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.238 -12.953 -0.047 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.290 -15.974 -0.649 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.718 -14.814 -1.547 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.423 -15.864 -2.420 1.00 0.00 H new ATOM 1086 N ARG A 70 3.709 -13.138 -2.990 1.00 0.00 N ATOM 1087 CA ARG A 70 5.016 -12.489 -3.060 1.00 0.00 C ATOM 1088 C ARG A 70 5.010 -11.341 -4.066 1.00 0.00 C ATOM 1089 O ARG A 70 5.577 -10.278 -3.811 1.00 0.00 O ATOM 1090 CB ARG A 70 6.102 -13.502 -3.434 1.00 0.00 C ATOM 1091 CG ARG A 70 7.501 -12.904 -3.459 1.00 0.00 C ATOM 1092 CD ARG A 70 8.528 -13.899 -3.974 1.00 0.00 C ATOM 1093 NE ARG A 70 8.126 -14.497 -5.244 1.00 0.00 N ATOM 1094 CZ ARG A 70 8.799 -15.474 -5.847 1.00 0.00 C ATOM 1095 NH1 ARG A 70 9.905 -15.959 -5.299 1.00 0.00 N ATOM 1096 NH2 ARG A 70 8.367 -15.964 -7.001 1.00 0.00 N ATOM 0 H ARG A 70 3.708 -14.118 -3.274 1.00 0.00 H new ATOM 0 HA ARG A 70 5.235 -12.081 -2.073 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.080 -14.327 -2.722 1.00 0.00 H new ATOM 0 HB3 ARG A 70 5.876 -13.921 -4.415 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.506 -12.016 -4.091 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.777 -12.582 -2.455 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.488 -13.397 -4.098 1.00 0.00 H new ATOM 0 HD3 ARG A 70 8.673 -14.686 -3.233 1.00 0.00 H new ATOM 0 HE ARG A 70 7.281 -14.146 -5.695 1.00 0.00 H new ATOM 0 HH11 ARG A 70 10.242 -15.583 -4.413 1.00 0.00 H new ATOM 0 HH12 ARG A 70 10.418 -16.708 -5.764 1.00 0.00 H new ATOM 0 HH21 ARG A 70 7.518 -15.592 -7.427 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.884 -16.713 -7.462 1.00 0.00 H new ATOM 1110 N SER A 71 4.367 -11.562 -5.208 1.00 0.00 N ATOM 1111 CA SER A 71 4.289 -10.549 -6.254 1.00 0.00 C ATOM 1112 C SER A 71 3.512 -9.330 -5.776 1.00 0.00 C ATOM 1113 O SER A 71 3.783 -8.206 -6.196 1.00 0.00 O ATOM 1114 CB SER A 71 3.631 -11.124 -7.509 1.00 0.00 C ATOM 1115 OG SER A 71 2.315 -11.571 -7.234 1.00 0.00 O ATOM 0 H SER A 71 3.891 -12.436 -5.433 1.00 0.00 H new ATOM 0 HA SER A 71 5.306 -10.239 -6.495 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.605 -10.365 -8.290 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.228 -11.953 -7.890 1.00 0.00 H new ATOM 0 HG SER A 71 2.349 -12.475 -6.857 1.00 0.00 H new ATOM 1121 N GLY A 72 2.544 -9.562 -4.897 1.00 0.00 N ATOM 1122 CA GLY A 72 1.740 -8.473 -4.378 1.00 0.00 C ATOM 1123 C GLY A 72 2.565 -7.450 -3.628 1.00 0.00 C ATOM 1124 O GLY A 72 2.209 -6.273 -3.577 1.00 0.00 O ATOM 0 H GLY A 72 2.302 -10.484 -4.535 1.00 0.00 H new ATOM 0 HA2 GLY A 72 1.222 -7.983 -5.202 1.00 0.00 H new ATOM 0 HA3 GLY A 72 0.975 -8.875 -3.714 1.00 0.00 H new ATOM 1128 N ALA A 73 3.669 -7.900 -3.044 1.00 0.00 N ATOM 1129 CA ALA A 73 4.547 -7.016 -2.289 1.00 0.00 C ATOM 1130 C ALA A 73 5.361 -6.115 -3.209 1.00 0.00 C ATOM 1131 O ALA A 73 5.286 -4.891 -3.115 1.00 0.00 O ATOM 1132 CB ALA A 73 5.479 -7.826 -1.409 1.00 0.00 C ATOM 0 H ALA A 73 3.977 -8.872 -3.079 1.00 0.00 H new ATOM 0 HA ALA A 73 3.917 -6.382 -1.664 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.129 -7.152 -0.851 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.893 -8.425 -0.712 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.086 -8.484 -2.031 1.00 0.00 H new ATOM 1138 N ALA A 74 6.139 -6.729 -4.094 1.00 0.00 N ATOM 1139 CA ALA A 74 6.979 -5.980 -5.018 1.00 0.00 C ATOM 1140 C ALA A 74 6.135 -5.075 -5.905 1.00 0.00 C ATOM 1141 O ALA A 74 6.618 -4.070 -6.428 1.00 0.00 O ATOM 1142 CB ALA A 74 7.811 -6.929 -5.868 1.00 0.00 C ATOM 0 H ALA A 74 6.205 -7.742 -4.190 1.00 0.00 H new ATOM 0 HA ALA A 74 7.653 -5.353 -4.434 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.433 -6.353 -6.553 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.447 -7.534 -5.222 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.150 -7.581 -6.439 1.00 0.00 H new ATOM 1148 N ARG A 75 4.871 -5.443 -6.067 1.00 0.00 N ATOM 1149 CA ARG A 75 3.946 -4.676 -6.888 1.00 0.00 C ATOM 1150 C ARG A 75 3.391 -3.487 -6.109 1.00 0.00 C ATOM 1151 O ARG A 75 3.372 -2.360 -6.601 1.00 0.00 O ATOM 1152 CB ARG A 75 2.797 -5.573 -7.352 1.00 0.00 C ATOM 1153 CG ARG A 75 1.930 -4.952 -8.433 1.00 0.00 C ATOM 1154 CD ARG A 75 0.598 -5.675 -8.559 1.00 0.00 C ATOM 1155 NE ARG A 75 -0.183 -5.188 -9.692 1.00 0.00 N ATOM 1156 CZ ARG A 75 -1.256 -4.412 -9.570 1.00 0.00 C ATOM 1157 NH1 ARG A 75 -1.671 -4.029 -8.369 1.00 0.00 N ATOM 1158 NH2 ARG A 75 -1.915 -4.016 -10.651 1.00 0.00 N ATOM 0 H ARG A 75 4.462 -6.273 -5.638 1.00 0.00 H new ATOM 0 HA ARG A 75 4.486 -4.299 -7.757 1.00 0.00 H new ATOM 0 HB2 ARG A 75 3.209 -6.511 -7.724 1.00 0.00 H new ATOM 0 HB3 ARG A 75 2.171 -5.818 -6.494 1.00 0.00 H new ATOM 0 HG2 ARG A 75 1.755 -3.901 -8.202 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.456 -4.986 -9.387 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.775 -6.744 -8.674 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.026 -5.543 -7.641 1.00 0.00 H new ATOM 0 HE ARG A 75 0.111 -5.458 -10.631 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.166 -4.330 -7.535 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.494 -3.434 -8.280 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.599 -4.307 -11.576 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.738 -3.421 -10.557 1.00 0.00 H new ATOM 1172 N SER A 76 2.944 -3.756 -4.887 1.00 0.00 N ATOM 1173 CA SER A 76 2.375 -2.724 -4.027 1.00 0.00 C ATOM 1174 C SER A 76 3.425 -1.703 -3.598 1.00 0.00 C ATOM 1175 O SER A 76 3.108 -0.534 -3.373 1.00 0.00 O ATOM 1176 CB SER A 76 1.741 -3.367 -2.795 1.00 0.00 C ATOM 1177 OG SER A 76 0.471 -3.909 -3.103 1.00 0.00 O ATOM 0 H SER A 76 2.965 -4.686 -4.468 1.00 0.00 H new ATOM 0 HA SER A 76 1.613 -2.196 -4.600 1.00 0.00 H new ATOM 0 HB2 SER A 76 2.393 -4.153 -2.414 1.00 0.00 H new ATOM 0 HB3 SER A 76 1.641 -2.624 -2.003 1.00 0.00 H new ATOM 0 HG SER A 76 0.141 -4.424 -2.337 1.00 0.00 H new ATOM 1183 N LEU A 77 4.673 -2.145 -3.488 1.00 0.00 N ATOM 1184 CA LEU A 77 5.761 -1.261 -3.083 1.00 0.00 C ATOM 1185 C LEU A 77 5.924 -0.113 -4.073 1.00 0.00 C ATOM 1186 O LEU A 77 5.807 1.057 -3.705 1.00 0.00 O ATOM 1187 CB LEU A 77 7.067 -2.049 -2.965 1.00 0.00 C ATOM 1188 CG LEU A 77 7.180 -2.918 -1.711 1.00 0.00 C ATOM 1189 CD1 LEU A 77 8.161 -4.058 -1.930 1.00 0.00 C ATOM 1190 CD2 LEU A 77 7.605 -2.075 -0.520 1.00 0.00 C ATOM 0 H LEU A 77 4.956 -3.107 -3.673 1.00 0.00 H new ATOM 0 HA LEU A 77 5.515 -0.839 -2.109 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.171 -2.687 -3.843 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.901 -1.347 -2.980 1.00 0.00 H new ATOM 0 HG LEU A 77 6.200 -3.347 -1.504 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.225 -4.662 -1.025 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.818 -4.679 -2.758 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.145 -3.651 -2.165 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.681 -2.707 0.365 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.574 -1.619 -0.724 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.866 -1.294 -0.345 1.00 0.00 H new ATOM 1202 N GLU A 78 6.197 -0.454 -5.328 1.00 0.00 N ATOM 1203 CA GLU A 78 6.364 0.547 -6.376 1.00 0.00 C ATOM 1204 C GLU A 78 5.152 1.474 -6.454 1.00 0.00 C ATOM 1205 O GLU A 78 5.294 2.669 -6.717 1.00 0.00 O ATOM 1206 CB GLU A 78 6.587 -0.135 -7.726 1.00 0.00 C ATOM 1207 CG GLU A 78 7.742 -1.121 -7.723 1.00 0.00 C ATOM 1208 CD GLU A 78 8.099 -1.604 -9.115 1.00 0.00 C ATOM 1209 OE1 GLU A 78 7.485 -2.588 -9.578 1.00 0.00 O ATOM 1210 OE2 GLU A 78 8.992 -0.998 -9.742 1.00 0.00 O ATOM 0 H GLU A 78 6.307 -1.417 -5.645 1.00 0.00 H new ATOM 0 HA GLU A 78 7.238 1.150 -6.129 1.00 0.00 H new ATOM 0 HB2 GLU A 78 5.675 -0.657 -8.016 1.00 0.00 H new ATOM 0 HB3 GLU A 78 6.772 0.627 -8.483 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.615 -0.651 -7.270 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.482 -1.977 -7.101 1.00 0.00 H new ATOM 1217 N GLN A 79 3.962 0.920 -6.228 1.00 0.00 N ATOM 1218 CA GLN A 79 2.735 1.710 -6.270 1.00 0.00 C ATOM 1219 C GLN A 79 2.784 2.845 -5.255 1.00 0.00 C ATOM 1220 O GLN A 79 2.302 3.947 -5.515 1.00 0.00 O ATOM 1221 CB GLN A 79 1.514 0.827 -6.000 1.00 0.00 C ATOM 1222 CG GLN A 79 1.171 -0.108 -7.147 1.00 0.00 C ATOM 1223 CD GLN A 79 -0.059 -0.948 -6.868 1.00 0.00 C ATOM 1224 OE1 GLN A 79 -1.182 -0.543 -7.164 1.00 0.00 O ATOM 1225 NE2 GLN A 79 0.150 -2.130 -6.299 1.00 0.00 N ATOM 0 H GLN A 79 3.823 -0.068 -6.015 1.00 0.00 H new ATOM 0 HA GLN A 79 2.649 2.138 -7.269 1.00 0.00 H new ATOM 0 HB2 GLN A 79 1.696 0.235 -5.103 1.00 0.00 H new ATOM 0 HB3 GLN A 79 0.654 1.464 -5.793 1.00 0.00 H new ATOM 0 HG2 GLN A 79 1.009 0.478 -8.052 1.00 0.00 H new ATOM 0 HG3 GLN A 79 2.019 -0.765 -7.341 1.00 0.00 H new ATOM 0 HE21 GLN A 79 1.099 -2.425 -6.071 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -0.639 -2.742 -6.091 1.00 0.00 H new ATOM 1234 N ILE A 80 3.372 2.567 -4.096 1.00 0.00 N ATOM 1235 CA ILE A 80 3.489 3.563 -3.040 1.00 0.00 C ATOM 1236 C ILE A 80 4.516 4.629 -3.408 1.00 0.00 C ATOM 1237 O ILE A 80 4.187 5.811 -3.508 1.00 0.00 O ATOM 1238 CB ILE A 80 3.880 2.913 -1.696 1.00 0.00 C ATOM 1239 CG1 ILE A 80 2.773 1.961 -1.230 1.00 0.00 C ATOM 1240 CG2 ILE A 80 4.153 3.978 -0.642 1.00 0.00 C ATOM 1241 CD1 ILE A 80 3.150 1.132 -0.021 1.00 0.00 C ATOM 0 H ILE A 80 3.775 1.659 -3.865 1.00 0.00 H new ATOM 0 HA ILE A 80 2.511 4.032 -2.930 1.00 0.00 H new ATOM 0 HB ILE A 80 4.795 2.339 -1.840 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.881 2.542 -0.997 1.00 0.00 H new ATOM 0 HG13 ILE A 80 2.512 1.292 -2.050 1.00 0.00 H new ATOM 0 HG21 ILE A 80 4.427 3.498 0.298 1.00 0.00 H new ATOM 0 HG22 ILE A 80 4.970 4.618 -0.974 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.257 4.581 -0.494 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.317 0.483 0.249 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.023 0.523 -0.255 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.382 1.792 0.815 1.00 0.00 H new ATOM 1253 N GLY A 81 5.757 4.202 -3.614 1.00 0.00 N ATOM 1254 CA GLY A 81 6.812 5.131 -3.973 1.00 0.00 C ATOM 1255 C GLY A 81 7.163 6.081 -2.843 1.00 0.00 C ATOM 1256 O GLY A 81 6.298 6.787 -2.327 1.00 0.00 O ATOM 0 H GLY A 81 6.051 3.228 -3.539 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.702 4.571 -4.261 1.00 0.00 H new ATOM 0 HA3 GLY A 81 6.502 5.708 -4.844 1.00 0.00 H new ATOM 1260 N GLY A 82 8.435 6.099 -2.459 1.00 0.00 N ATOM 1261 CA GLY A 82 8.871 6.975 -1.389 1.00 0.00 C ATOM 1262 C GLY A 82 9.928 6.340 -0.508 1.00 0.00 C ATOM 1263 O GLY A 82 10.269 5.169 -0.678 1.00 0.00 O ATOM 0 H GLY A 82 9.170 5.523 -2.869 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.266 7.896 -1.817 1.00 0.00 H new ATOM 0 HA3 GLY A 82 8.012 7.251 -0.778 1.00 0.00 H new ATOM 1267 N GLU A 83 10.444 7.116 0.439 1.00 0.00 N ATOM 1268 CA GLU A 83 11.468 6.633 1.355 1.00 0.00 C ATOM 1269 C GLU A 83 10.919 5.537 2.265 1.00 0.00 C ATOM 1270 O GLU A 83 11.667 4.689 2.751 1.00 0.00 O ATOM 1271 CB GLU A 83 12.004 7.787 2.206 1.00 0.00 C ATOM 1272 CG GLU A 83 10.943 8.450 3.070 1.00 0.00 C ATOM 1273 CD GLU A 83 11.521 9.492 4.008 1.00 0.00 C ATOM 1274 OE1 GLU A 83 11.707 10.648 3.572 1.00 0.00 O ATOM 1275 OE2 GLU A 83 11.786 9.154 5.181 1.00 0.00 O ATOM 0 H GLU A 83 10.168 8.086 0.592 1.00 0.00 H new ATOM 0 HA GLU A 83 12.279 6.214 0.759 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.802 7.414 2.848 1.00 0.00 H new ATOM 0 HB3 GLU A 83 12.447 8.536 1.550 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.198 8.919 2.428 1.00 0.00 H new ATOM 0 HG3 GLU A 83 10.427 7.688 3.654 1.00 0.00 H new ATOM 1282 N ARG A 84 9.608 5.562 2.492 1.00 0.00 N ATOM 1283 CA ARG A 84 8.964 4.576 3.355 1.00 0.00 C ATOM 1284 C ARG A 84 9.123 3.158 2.808 1.00 0.00 C ATOM 1285 O ARG A 84 9.602 2.266 3.511 1.00 0.00 O ATOM 1286 CB ARG A 84 7.477 4.915 3.568 1.00 0.00 C ATOM 1287 CG ARG A 84 6.612 4.865 2.309 1.00 0.00 C ATOM 1288 CD ARG A 84 6.845 6.067 1.407 1.00 0.00 C ATOM 1289 NE ARG A 84 6.738 7.329 2.136 1.00 0.00 N ATOM 1290 CZ ARG A 84 6.600 8.514 1.550 1.00 0.00 C ATOM 1291 NH1 ARG A 84 6.536 8.604 0.229 1.00 0.00 N ATOM 1292 NH2 ARG A 84 6.521 9.614 2.287 1.00 0.00 N ATOM 0 H ARG A 84 8.973 6.252 2.092 1.00 0.00 H new ATOM 0 HA ARG A 84 9.466 4.615 4.322 1.00 0.00 H new ATOM 0 HB2 ARG A 84 7.064 4.222 4.301 1.00 0.00 H new ATOM 0 HB3 ARG A 84 7.406 5.914 3.999 1.00 0.00 H new ATOM 0 HG2 ARG A 84 6.829 3.951 1.757 1.00 0.00 H new ATOM 0 HG3 ARG A 84 5.561 4.824 2.593 1.00 0.00 H new ATOM 0 HD2 ARG A 84 7.833 5.993 0.953 1.00 0.00 H new ATOM 0 HD3 ARG A 84 6.119 6.056 0.594 1.00 0.00 H new ATOM 0 HE ARG A 84 6.771 7.299 3.155 1.00 0.00 H new ATOM 0 HH11 ARG A 84 6.593 7.761 -0.343 1.00 0.00 H new ATOM 0 HH12 ARG A 84 6.430 9.516 -0.216 1.00 0.00 H new ATOM 0 HH21 ARG A 84 6.566 9.551 3.304 1.00 0.00 H new ATOM 0 HH22 ARG A 84 6.415 10.523 1.837 1.00 0.00 H new ATOM 1306 N VAL A 85 8.724 2.950 1.560 1.00 0.00 N ATOM 1307 CA VAL A 85 8.830 1.637 0.936 1.00 0.00 C ATOM 1308 C VAL A 85 10.281 1.276 0.650 1.00 0.00 C ATOM 1309 O VAL A 85 10.629 0.100 0.540 1.00 0.00 O ATOM 1310 CB VAL A 85 8.023 1.569 -0.371 1.00 0.00 C ATOM 1311 CG1 VAL A 85 6.542 1.418 -0.074 1.00 0.00 C ATOM 1312 CG2 VAL A 85 8.277 2.805 -1.219 1.00 0.00 C ATOM 0 H VAL A 85 8.325 3.672 0.960 1.00 0.00 H new ATOM 0 HA VAL A 85 8.417 0.918 1.644 1.00 0.00 H new ATOM 0 HB VAL A 85 8.350 0.695 -0.934 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.986 1.372 -1.010 1.00 0.00 H new ATOM 0 HG12 VAL A 85 6.376 0.502 0.492 1.00 0.00 H new ATOM 0 HG13 VAL A 85 6.199 2.272 0.510 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.698 2.740 -2.140 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.978 3.694 -0.664 1.00 0.00 H new ATOM 0 HG23 VAL A 85 9.338 2.868 -1.461 1.00 0.00 H new ATOM 1322 N ARG A 86 11.124 2.296 0.527 1.00 0.00 N ATOM 1323 CA ARG A 86 12.540 2.085 0.248 1.00 0.00 C ATOM 1324 C ARG A 86 13.188 1.228 1.331 1.00 0.00 C ATOM 1325 O ARG A 86 14.001 0.350 1.039 1.00 0.00 O ATOM 1326 CB ARG A 86 13.270 3.423 0.131 1.00 0.00 C ATOM 1327 CG ARG A 86 14.776 3.280 -0.012 1.00 0.00 C ATOM 1328 CD ARG A 86 15.450 4.625 -0.226 1.00 0.00 C ATOM 1329 NE ARG A 86 16.906 4.517 -0.188 1.00 0.00 N ATOM 1330 CZ ARG A 86 17.727 5.470 -0.614 1.00 0.00 C ATOM 1331 NH1 ARG A 86 17.239 6.596 -1.119 1.00 0.00 N ATOM 1332 NH2 ARG A 86 19.040 5.299 -0.535 1.00 0.00 N ATOM 0 H ARG A 86 10.852 3.275 0.616 1.00 0.00 H new ATOM 0 HA ARG A 86 12.619 1.557 -0.702 1.00 0.00 H new ATOM 0 HB2 ARG A 86 12.881 3.966 -0.730 1.00 0.00 H new ATOM 0 HB3 ARG A 86 13.052 4.025 1.013 1.00 0.00 H new ATOM 0 HG2 ARG A 86 15.183 2.807 0.882 1.00 0.00 H new ATOM 0 HG3 ARG A 86 15.001 2.622 -0.852 1.00 0.00 H new ATOM 0 HD2 ARG A 86 15.142 5.037 -1.187 1.00 0.00 H new ATOM 0 HD3 ARG A 86 15.118 5.324 0.542 1.00 0.00 H new ATOM 0 HE ARG A 86 17.315 3.661 0.187 1.00 0.00 H new ATOM 0 HH11 ARG A 86 16.230 6.732 -1.181 1.00 0.00 H new ATOM 0 HH12 ARG A 86 17.873 7.326 -1.445 1.00 0.00 H new ATOM 0 HH21 ARG A 86 19.419 4.435 -0.147 1.00 0.00 H new ATOM 0 HH22 ARG A 86 19.670 6.031 -0.862 1.00 0.00 H new ATOM 1346 N ALA A 87 12.820 1.490 2.582 1.00 0.00 N ATOM 1347 CA ALA A 87 13.361 0.747 3.712 1.00 0.00 C ATOM 1348 C ALA A 87 13.065 -0.740 3.571 1.00 0.00 C ATOM 1349 O ALA A 87 13.858 -1.585 3.987 1.00 0.00 O ATOM 1350 CB ALA A 87 12.792 1.282 5.018 1.00 0.00 C ATOM 0 H ALA A 87 12.148 2.213 2.837 1.00 0.00 H new ATOM 0 HA ALA A 87 14.443 0.879 3.724 1.00 0.00 H new ATOM 0 HB1 ALA A 87 13.205 0.717 5.853 1.00 0.00 H new ATOM 0 HB2 ALA A 87 13.055 2.334 5.126 1.00 0.00 H new ATOM 0 HB3 ALA A 87 11.707 1.179 5.012 1.00 0.00 H new ATOM 1356 N ALA A 88 11.915 -1.052 2.980 1.00 0.00 N ATOM 1357 CA ALA A 88 11.517 -2.436 2.774 1.00 0.00 C ATOM 1358 C ALA A 88 12.439 -3.109 1.770 1.00 0.00 C ATOM 1359 O ALA A 88 12.729 -4.301 1.878 1.00 0.00 O ATOM 1360 CB ALA A 88 10.073 -2.510 2.303 1.00 0.00 C ATOM 0 H ALA A 88 11.245 -0.364 2.637 1.00 0.00 H new ATOM 0 HA ALA A 88 11.597 -2.964 3.724 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.792 -3.553 2.154 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.422 -2.062 3.054 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.969 -1.968 1.363 1.00 0.00 H new ATOM 1366 N MET A 89 12.899 -2.336 0.790 1.00 0.00 N ATOM 1367 CA MET A 89 13.797 -2.856 -0.231 1.00 0.00 C ATOM 1368 C MET A 89 15.151 -3.164 0.378 1.00 0.00 C ATOM 1369 O MET A 89 15.656 -4.275 0.261 1.00 0.00 O ATOM 1370 CB MET A 89 13.982 -1.853 -1.367 1.00 0.00 C ATOM 1371 CG MET A 89 12.736 -1.068 -1.717 1.00 0.00 C ATOM 1372 SD MET A 89 11.228 -2.057 -1.676 1.00 0.00 S ATOM 1373 CE MET A 89 11.431 -3.057 -3.145 1.00 0.00 C ATOM 0 H MET A 89 12.664 -1.349 0.683 1.00 0.00 H new ATOM 0 HA MET A 89 13.351 -3.766 -0.634 1.00 0.00 H new ATOM 0 HB2 MET A 89 14.772 -1.154 -1.093 1.00 0.00 H new ATOM 0 HB3 MET A 89 14.322 -2.386 -2.255 1.00 0.00 H new ATOM 0 HG2 MET A 89 12.634 -0.235 -1.022 1.00 0.00 H new ATOM 0 HG3 MET A 89 12.853 -0.640 -2.712 1.00 0.00 H new ATOM 0 HE1 MET A 89 10.452 -3.361 -3.516 1.00 0.00 H new ATOM 0 HE2 MET A 89 11.946 -2.478 -3.911 1.00 0.00 H new ATOM 0 HE3 MET A 89 12.019 -3.943 -2.904 1.00 0.00 H new ATOM 1383 N GLU A 90 15.738 -2.156 1.011 1.00 0.00 N ATOM 1384 CA GLU A 90 17.036 -2.311 1.656 1.00 0.00 C ATOM 1385 C GLU A 90 17.008 -3.482 2.632 1.00 0.00 C ATOM 1386 O GLU A 90 18.010 -4.174 2.815 1.00 0.00 O ATOM 1387 CB GLU A 90 17.427 -1.025 2.386 1.00 0.00 C ATOM 1388 CG GLU A 90 17.379 0.211 1.503 1.00 0.00 C ATOM 1389 CD GLU A 90 17.966 1.435 2.178 1.00 0.00 C ATOM 1390 OE1 GLU A 90 17.230 2.112 2.926 1.00 0.00 O ATOM 1391 OE2 GLU A 90 19.163 1.717 1.957 1.00 0.00 O ATOM 0 H GLU A 90 15.336 -1.222 1.092 1.00 0.00 H new ATOM 0 HA GLU A 90 17.781 -2.515 0.887 1.00 0.00 H new ATOM 0 HB2 GLU A 90 16.759 -0.881 3.235 1.00 0.00 H new ATOM 0 HB3 GLU A 90 18.434 -1.136 2.788 1.00 0.00 H new ATOM 0 HG2 GLU A 90 17.923 0.014 0.579 1.00 0.00 H new ATOM 0 HG3 GLU A 90 16.345 0.415 1.226 1.00 0.00 H new ATOM 1398 N LYS A 91 15.854 -3.697 3.257 1.00 0.00 N ATOM 1399 CA LYS A 91 15.693 -4.796 4.203 1.00 0.00 C ATOM 1400 C LYS A 91 15.477 -6.114 3.466 1.00 0.00 C ATOM 1401 O LYS A 91 15.724 -7.188 4.014 1.00 0.00 O ATOM 1402 CB LYS A 91 14.518 -4.528 5.147 1.00 0.00 C ATOM 1403 CG LYS A 91 14.818 -3.498 6.226 1.00 0.00 C ATOM 1404 CD LYS A 91 15.751 -4.053 7.292 1.00 0.00 C ATOM 1405 CE LYS A 91 15.041 -5.051 8.194 1.00 0.00 C ATOM 1406 NZ LYS A 91 15.928 -5.541 9.287 1.00 0.00 N ATOM 0 H LYS A 91 15.019 -3.126 3.126 1.00 0.00 H new ATOM 0 HA LYS A 91 16.607 -4.870 4.792 1.00 0.00 H new ATOM 0 HB2 LYS A 91 13.664 -4.188 4.561 1.00 0.00 H new ATOM 0 HB3 LYS A 91 14.226 -5.464 5.623 1.00 0.00 H new ATOM 0 HG2 LYS A 91 15.269 -2.616 5.771 1.00 0.00 H new ATOM 0 HG3 LYS A 91 13.886 -3.176 6.690 1.00 0.00 H new ATOM 0 HD2 LYS A 91 16.603 -4.536 6.814 1.00 0.00 H new ATOM 0 HD3 LYS A 91 16.145 -3.234 7.894 1.00 0.00 H new ATOM 0 HE2 LYS A 91 14.156 -4.584 8.626 1.00 0.00 H new ATOM 0 HE3 LYS A 91 14.697 -5.897 7.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 15.407 -6.219 9.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 16.760 -6.009 8.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 16.236 -4.737 9.870 1.00 0.00 H new ATOM 1420 N LEU A 92 15.007 -6.029 2.224 1.00 0.00 N ATOM 1421 CA LEU A 92 14.764 -7.211 1.423 1.00 0.00 C ATOM 1422 C LEU A 92 16.034 -7.629 0.675 1.00 0.00 C ATOM 1423 O LEU A 92 16.255 -8.810 0.425 1.00 0.00 O ATOM 1424 CB LEU A 92 13.610 -6.933 0.454 1.00 0.00 C ATOM 1425 CG LEU A 92 13.693 -7.644 -0.891 1.00 0.00 C ATOM 1426 CD1 LEU A 92 13.541 -9.149 -0.721 1.00 0.00 C ATOM 1427 CD2 LEU A 92 12.633 -7.109 -1.841 1.00 0.00 C ATOM 0 H LEU A 92 14.789 -5.149 1.756 1.00 0.00 H new ATOM 0 HA LEU A 92 14.485 -8.041 2.073 1.00 0.00 H new ATOM 0 HB2 LEU A 92 12.676 -7.218 0.938 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.561 -5.859 0.274 1.00 0.00 H new ATOM 0 HG LEU A 92 14.676 -7.447 -1.318 1.00 0.00 H new ATOM 0 HD11 LEU A 92 13.604 -9.633 -1.695 1.00 0.00 H new ATOM 0 HD12 LEU A 92 14.336 -9.525 -0.077 1.00 0.00 H new ATOM 0 HD13 LEU A 92 12.574 -9.368 -0.269 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.706 -7.627 -2.797 1.00 0.00 H new ATOM 0 HD22 LEU A 92 11.644 -7.274 -1.413 1.00 0.00 H new ATOM 0 HD23 LEU A 92 12.788 -6.041 -1.995 1.00 0.00 H new ATOM 1439 N ALA A 93 16.868 -6.650 0.334 1.00 0.00 N ATOM 1440 CA ALA A 93 18.112 -6.910 -0.385 1.00 0.00 C ATOM 1441 C ALA A 93 19.020 -7.859 0.392 1.00 0.00 C ATOM 1442 O ALA A 93 19.764 -8.642 -0.202 1.00 0.00 O ATOM 1443 CB ALA A 93 18.837 -5.604 -0.674 1.00 0.00 C ATOM 0 H ALA A 93 16.704 -5.666 0.545 1.00 0.00 H new ATOM 0 HA ALA A 93 17.857 -7.392 -1.329 1.00 0.00 H new ATOM 0 HB1 ALA A 93 19.763 -5.813 -1.210 1.00 0.00 H new ATOM 0 HB2 ALA A 93 18.201 -4.962 -1.284 1.00 0.00 H new ATOM 0 HB3 ALA A 93 19.067 -5.100 0.265 1.00 0.00 H new ATOM 1449 N GLU A 94 18.958 -7.788 1.718 1.00 0.00 N ATOM 1450 CA GLU A 94 19.778 -8.649 2.564 1.00 0.00 C ATOM 1451 C GLU A 94 19.144 -10.031 2.678 1.00 0.00 C ATOM 1452 O GLU A 94 19.813 -11.013 3.004 1.00 0.00 O ATOM 1453 CB GLU A 94 19.956 -8.028 3.950 1.00 0.00 C ATOM 1454 CG GLU A 94 18.649 -7.793 4.689 1.00 0.00 C ATOM 1455 CD GLU A 94 18.850 -7.090 6.018 1.00 0.00 C ATOM 1456 OE1 GLU A 94 19.200 -7.773 7.004 1.00 0.00 O ATOM 1457 OE2 GLU A 94 18.660 -5.856 6.073 1.00 0.00 O ATOM 0 H GLU A 94 18.351 -7.146 2.228 1.00 0.00 H new ATOM 0 HA GLU A 94 20.762 -8.751 2.106 1.00 0.00 H new ATOM 0 HB2 GLU A 94 20.590 -8.679 4.551 1.00 0.00 H new ATOM 0 HB3 GLU A 94 20.481 -7.078 3.848 1.00 0.00 H new ATOM 0 HG2 GLU A 94 17.984 -7.197 4.064 1.00 0.00 H new ATOM 0 HG3 GLU A 94 18.155 -8.749 4.859 1.00 0.00 H new ATOM 1464 N THR A 95 17.846 -10.093 2.406 1.00 0.00 N ATOM 1465 CA THR A 95 17.101 -11.345 2.450 1.00 0.00 C ATOM 1466 C THR A 95 16.518 -11.643 1.076 1.00 0.00 C ATOM 1467 O THR A 95 15.481 -12.295 0.949 1.00 0.00 O ATOM 1468 CB THR A 95 15.961 -11.286 3.483 1.00 0.00 C ATOM 1469 OG1 THR A 95 15.112 -10.163 3.212 1.00 0.00 O ATOM 1470 CG2 THR A 95 16.516 -11.180 4.896 1.00 0.00 C ATOM 0 H THR A 95 17.283 -9.282 2.150 1.00 0.00 H new ATOM 0 HA THR A 95 17.791 -12.135 2.745 1.00 0.00 H new ATOM 0 HB THR A 95 15.382 -12.206 3.406 1.00 0.00 H new ATOM 0 HG1 THR A 95 15.518 -9.350 3.578 1.00 0.00 H new ATOM 0 HG21 THR A 95 15.692 -11.140 5.608 1.00 0.00 H new ATOM 0 HG22 THR A 95 17.138 -12.050 5.109 1.00 0.00 H new ATOM 0 HG23 THR A 95 17.116 -10.275 4.984 1.00 0.00 H new ATOM 1478 N GLY A 96 17.210 -11.157 0.049 1.00 0.00 N ATOM 1479 CA GLY A 96 16.766 -11.339 -1.318 1.00 0.00 C ATOM 1480 C GLY A 96 16.479 -12.781 -1.679 1.00 0.00 C ATOM 1481 O GLY A 96 17.356 -13.641 -1.592 1.00 0.00 O ATOM 0 H GLY A 96 18.081 -10.634 0.144 1.00 0.00 H new ATOM 0 HA2 GLY A 96 15.865 -10.747 -1.480 1.00 0.00 H new ATOM 0 HA3 GLY A 96 17.528 -10.950 -1.993 1.00 0.00 H new ATOM 1485 N THR A 97 15.242 -13.038 -2.086 1.00 0.00 N ATOM 1486 CA THR A 97 14.822 -14.373 -2.490 1.00 0.00 C ATOM 1487 C THR A 97 13.896 -14.294 -3.700 1.00 0.00 C ATOM 1488 O THR A 97 12.941 -13.516 -3.712 1.00 0.00 O ATOM 1489 CB THR A 97 14.105 -15.116 -1.344 1.00 0.00 C ATOM 1490 OG1 THR A 97 13.639 -16.389 -1.802 1.00 0.00 O ATOM 1491 CG2 THR A 97 12.934 -14.303 -0.813 1.00 0.00 C ATOM 0 H THR A 97 14.507 -12.333 -2.145 1.00 0.00 H new ATOM 0 HA THR A 97 15.721 -14.931 -2.751 1.00 0.00 H new ATOM 0 HB THR A 97 14.820 -15.259 -0.534 1.00 0.00 H new ATOM 0 HG1 THR A 97 13.187 -16.855 -1.068 1.00 0.00 H new ATOM 0 HG21 THR A 97 12.447 -14.851 -0.006 1.00 0.00 H new ATOM 0 HG22 THR A 97 13.296 -13.347 -0.435 1.00 0.00 H new ATOM 0 HG23 THR A 97 12.218 -14.128 -1.616 1.00 0.00 H new ATOM 1499 N GLY A 98 14.187 -15.095 -4.720 1.00 0.00 N ATOM 1500 CA GLY A 98 13.372 -15.085 -5.922 1.00 0.00 C ATOM 1501 C GLY A 98 13.572 -13.818 -6.734 1.00 0.00 C ATOM 1502 O GLY A 98 14.705 -13.384 -6.942 1.00 0.00 O ATOM 0 H GLY A 98 14.970 -15.749 -4.736 1.00 0.00 H new ATOM 0 HA2 GLY A 98 13.620 -15.951 -6.535 1.00 0.00 H new ATOM 0 HA3 GLY A 98 12.321 -15.178 -5.648 1.00 0.00 H new ATOM 1506 N PHE A 99 12.473 -13.222 -7.192 1.00 0.00 N ATOM 1507 CA PHE A 99 12.544 -11.994 -7.979 1.00 0.00 C ATOM 1508 C PHE A 99 12.394 -10.771 -7.078 1.00 0.00 C ATOM 1509 O PHE A 99 12.642 -9.642 -7.501 1.00 0.00 O ATOM 1510 CB PHE A 99 11.468 -11.990 -9.072 1.00 0.00 C ATOM 1511 CG PHE A 99 10.144 -11.434 -8.628 1.00 0.00 C ATOM 1512 CD1 PHE A 99 9.369 -12.107 -7.695 1.00 0.00 C ATOM 1513 CD2 PHE A 99 9.677 -10.237 -9.144 1.00 0.00 C ATOM 1514 CE1 PHE A 99 8.151 -11.593 -7.288 1.00 0.00 C ATOM 1515 CE2 PHE A 99 8.461 -9.719 -8.742 1.00 0.00 C ATOM 1516 CZ PHE A 99 7.697 -10.398 -7.813 1.00 0.00 C ATOM 0 H PHE A 99 11.527 -13.568 -7.032 1.00 0.00 H new ATOM 0 HA PHE A 99 13.522 -11.951 -8.459 1.00 0.00 H new ATOM 0 HB2 PHE A 99 11.829 -11.407 -9.920 1.00 0.00 H new ATOM 0 HB3 PHE A 99 11.321 -13.010 -9.426 1.00 0.00 H new ATOM 0 HD1 PHE A 99 9.720 -13.041 -7.282 1.00 0.00 H new ATOM 0 HD2 PHE A 99 10.271 -9.702 -9.870 1.00 0.00 H new ATOM 0 HE1 PHE A 99 7.556 -12.125 -6.561 1.00 0.00 H new ATOM 0 HE2 PHE A 99 8.108 -8.785 -9.153 1.00 0.00 H new ATOM 0 HZ PHE A 99 6.746 -9.995 -7.497 1.00 0.00 H new ATOM 1526 N ALA A 100 11.980 -11.009 -5.834 1.00 0.00 N ATOM 1527 CA ALA A 100 11.805 -9.934 -4.864 1.00 0.00 C ATOM 1528 C ALA A 100 13.077 -9.103 -4.744 1.00 0.00 C ATOM 1529 O ALA A 100 13.031 -7.879 -4.664 1.00 0.00 O ATOM 1530 CB ALA A 100 11.422 -10.509 -3.509 1.00 0.00 C ATOM 0 H ALA A 100 11.760 -11.938 -5.476 1.00 0.00 H new ATOM 0 HA ALA A 100 11.003 -9.283 -5.212 1.00 0.00 H new ATOM 0 HB1 ALA A 100 11.294 -9.698 -2.792 1.00 0.00 H new ATOM 0 HB2 ALA A 100 10.488 -11.064 -3.600 1.00 0.00 H new ATOM 0 HB3 ALA A 100 12.209 -11.178 -3.162 1.00 0.00 H new ATOM 1536 N ARG A 101 14.214 -9.785 -4.739 1.00 0.00 N ATOM 1537 CA ARG A 101 15.509 -9.122 -4.633 1.00 0.00 C ATOM 1538 C ARG A 101 15.731 -8.165 -5.798 1.00 0.00 C ATOM 1539 O ARG A 101 15.980 -6.975 -5.599 1.00 0.00 O ATOM 1540 CB ARG A 101 16.614 -10.165 -4.617 1.00 0.00 C ATOM 1541 CG ARG A 101 18.002 -9.587 -4.398 1.00 0.00 C ATOM 1542 CD ARG A 101 19.045 -10.684 -4.265 1.00 0.00 C ATOM 1543 NE ARG A 101 20.397 -10.146 -4.142 1.00 0.00 N ATOM 1544 CZ ARG A 101 21.482 -10.770 -4.591 1.00 0.00 C ATOM 1545 NH1 ARG A 101 21.373 -11.948 -5.193 1.00 0.00 N ATOM 1546 NH2 ARG A 101 22.678 -10.215 -4.441 1.00 0.00 N ATOM 0 H ARG A 101 14.267 -10.801 -4.807 1.00 0.00 H new ATOM 0 HA ARG A 101 15.526 -8.547 -3.707 1.00 0.00 H new ATOM 0 HB2 ARG A 101 16.405 -10.890 -3.830 1.00 0.00 H new ATOM 0 HB3 ARG A 101 16.602 -10.708 -5.562 1.00 0.00 H new ATOM 0 HG2 ARG A 101 18.262 -8.935 -5.232 1.00 0.00 H new ATOM 0 HG3 ARG A 101 18.003 -8.971 -3.499 1.00 0.00 H new ATOM 0 HD2 ARG A 101 18.818 -11.295 -3.392 1.00 0.00 H new ATOM 0 HD3 ARG A 101 18.994 -11.339 -5.135 1.00 0.00 H new ATOM 0 HE ARG A 101 20.516 -9.241 -3.686 1.00 0.00 H new ATOM 0 HH11 ARG A 101 20.455 -12.377 -5.312 1.00 0.00 H new ATOM 0 HH12 ARG A 101 22.207 -12.424 -5.536 1.00 0.00 H new ATOM 0 HH21 ARG A 101 22.766 -9.309 -3.981 1.00 0.00 H new ATOM 0 HH22 ARG A 101 23.510 -10.695 -4.786 1.00 0.00 H new ATOM 1560 N LYS A 102 15.647 -8.703 -7.014 1.00 0.00 N ATOM 1561 CA LYS A 102 15.831 -7.912 -8.229 1.00 0.00 C ATOM 1562 C LYS A 102 14.995 -6.637 -8.173 1.00 0.00 C ATOM 1563 O LYS A 102 15.296 -5.650 -8.843 1.00 0.00 O ATOM 1564 CB LYS A 102 15.437 -8.744 -9.454 1.00 0.00 C ATOM 1565 CG LYS A 102 15.522 -7.983 -10.769 1.00 0.00 C ATOM 1566 CD LYS A 102 14.821 -8.727 -11.895 1.00 0.00 C ATOM 1567 CE LYS A 102 15.514 -10.042 -12.218 1.00 0.00 C ATOM 1568 NZ LYS A 102 14.943 -10.686 -13.433 1.00 0.00 N ATOM 0 H LYS A 102 15.451 -9.690 -7.184 1.00 0.00 H new ATOM 0 HA LYS A 102 16.881 -7.632 -8.306 1.00 0.00 H new ATOM 0 HB2 LYS A 102 16.084 -9.620 -9.510 1.00 0.00 H new ATOM 0 HB3 LYS A 102 14.418 -9.108 -9.321 1.00 0.00 H new ATOM 0 HG2 LYS A 102 15.073 -6.997 -10.649 1.00 0.00 H new ATOM 0 HG3 LYS A 102 16.568 -7.826 -11.032 1.00 0.00 H new ATOM 0 HD2 LYS A 102 13.786 -8.921 -11.614 1.00 0.00 H new ATOM 0 HD3 LYS A 102 14.797 -8.100 -12.786 1.00 0.00 H new ATOM 0 HE2 LYS A 102 16.579 -9.864 -12.368 1.00 0.00 H new ATOM 0 HE3 LYS A 102 15.420 -10.720 -11.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 15.442 -11.579 -13.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 13.932 -10.879 -13.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 15.055 -10.050 -14.248 1.00 0.00 H new ATOM 1582 N VAL A 103 13.949 -6.676 -7.362 1.00 0.00 N ATOM 1583 CA VAL A 103 13.051 -5.545 -7.200 1.00 0.00 C ATOM 1584 C VAL A 103 13.651 -4.474 -6.285 1.00 0.00 C ATOM 1585 O VAL A 103 13.773 -3.317 -6.677 1.00 0.00 O ATOM 1586 CB VAL A 103 11.703 -6.017 -6.628 1.00 0.00 C ATOM 1587 CG1 VAL A 103 10.864 -4.840 -6.152 1.00 0.00 C ATOM 1588 CG2 VAL A 103 10.943 -6.830 -7.667 1.00 0.00 C ATOM 0 H VAL A 103 13.700 -7.490 -6.800 1.00 0.00 H new ATOM 0 HA VAL A 103 12.898 -5.103 -8.184 1.00 0.00 H new ATOM 0 HB VAL A 103 11.906 -6.652 -5.766 1.00 0.00 H new ATOM 0 HG11 VAL A 103 9.918 -5.205 -5.753 1.00 0.00 H new ATOM 0 HG12 VAL A 103 11.402 -4.301 -5.372 1.00 0.00 H new ATOM 0 HG13 VAL A 103 10.670 -4.169 -6.989 1.00 0.00 H new ATOM 0 HG21 VAL A 103 9.991 -7.157 -7.248 1.00 0.00 H new ATOM 0 HG22 VAL A 103 10.759 -6.214 -8.548 1.00 0.00 H new ATOM 0 HG23 VAL A 103 11.533 -7.701 -7.950 1.00 0.00 H new ATOM 1598 N ALA A 104 14.023 -4.869 -5.069 1.00 0.00 N ATOM 1599 CA ALA A 104 14.599 -3.940 -4.096 1.00 0.00 C ATOM 1600 C ALA A 104 15.785 -3.171 -4.666 1.00 0.00 C ATOM 1601 O ALA A 104 15.933 -1.971 -4.441 1.00 0.00 O ATOM 1602 CB ALA A 104 15.037 -4.702 -2.853 1.00 0.00 C ATOM 0 H ALA A 104 13.936 -5.828 -4.733 1.00 0.00 H new ATOM 0 HA ALA A 104 13.826 -3.215 -3.840 1.00 0.00 H new ATOM 0 HB1 ALA A 104 15.465 -4.006 -2.132 1.00 0.00 H new ATOM 0 HB2 ALA A 104 14.175 -5.200 -2.409 1.00 0.00 H new ATOM 0 HB3 ALA A 104 15.785 -5.446 -3.127 1.00 0.00 H new ATOM 1608 N VAL A 105 16.616 -3.879 -5.406 1.00 0.00 N ATOM 1609 CA VAL A 105 17.822 -3.305 -5.998 1.00 0.00 C ATOM 1610 C VAL A 105 17.515 -2.230 -7.037 1.00 0.00 C ATOM 1611 O VAL A 105 17.929 -1.081 -6.895 1.00 0.00 O ATOM 1612 CB VAL A 105 18.689 -4.401 -6.650 1.00 0.00 C ATOM 1613 CG1 VAL A 105 19.933 -3.799 -7.289 1.00 0.00 C ATOM 1614 CG2 VAL A 105 19.067 -5.459 -5.625 1.00 0.00 C ATOM 0 H VAL A 105 16.480 -4.868 -5.617 1.00 0.00 H new ATOM 0 HA VAL A 105 18.367 -2.836 -5.179 1.00 0.00 H new ATOM 0 HB VAL A 105 18.104 -4.878 -7.437 1.00 0.00 H new ATOM 0 HG11 VAL A 105 20.529 -4.591 -7.742 1.00 0.00 H new ATOM 0 HG12 VAL A 105 19.638 -3.083 -8.056 1.00 0.00 H new ATOM 0 HG13 VAL A 105 20.524 -3.291 -6.527 1.00 0.00 H new ATOM 0 HG21 VAL A 105 19.679 -6.225 -6.101 1.00 0.00 H new ATOM 0 HG22 VAL A 105 19.631 -4.996 -4.815 1.00 0.00 H new ATOM 0 HG23 VAL A 105 18.163 -5.915 -5.223 1.00 0.00 H new ATOM 1624 N ASN A 106 16.795 -2.613 -8.083 1.00 0.00 N ATOM 1625 CA ASN A 106 16.459 -1.688 -9.161 1.00 0.00 C ATOM 1626 C ASN A 106 15.538 -0.563 -8.690 1.00 0.00 C ATOM 1627 O ASN A 106 15.785 0.609 -8.978 1.00 0.00 O ATOM 1628 CB ASN A 106 15.801 -2.446 -10.316 1.00 0.00 C ATOM 1629 CG ASN A 106 16.718 -3.492 -10.920 1.00 0.00 C ATOM 1630 OD1 ASN A 106 17.576 -4.050 -10.239 1.00 0.00 O ATOM 1631 ND2 ASN A 106 16.538 -3.763 -12.208 1.00 0.00 N ATOM 0 H ASN A 106 16.432 -3.558 -8.209 1.00 0.00 H new ATOM 0 HA ASN A 106 17.390 -1.232 -9.500 1.00 0.00 H new ATOM 0 HB2 ASN A 106 14.891 -2.928 -9.959 1.00 0.00 H new ATOM 0 HB3 ASN A 106 15.504 -1.737 -11.089 1.00 0.00 H new ATOM 0 HD21 ASN A 106 17.124 -4.458 -12.670 1.00 0.00 H new ATOM 0 HD22 ASN A 106 15.814 -3.276 -12.735 1.00 0.00 H new ATOM 1638 N TYR A 107 14.479 -0.922 -7.973 1.00 0.00 N ATOM 1639 CA TYR A 107 13.516 0.042 -7.492 1.00 0.00 C ATOM 1640 C TYR A 107 14.157 1.081 -6.571 1.00 0.00 C ATOM 1641 O TYR A 107 13.629 2.180 -6.400 1.00 0.00 O ATOM 1642 CB TYR A 107 12.396 -0.701 -6.781 1.00 0.00 C ATOM 1643 CG TYR A 107 11.438 0.204 -6.072 1.00 0.00 C ATOM 1644 CD1 TYR A 107 10.548 1.005 -6.769 1.00 0.00 C ATOM 1645 CD2 TYR A 107 11.441 0.260 -4.698 1.00 0.00 C ATOM 1646 CE1 TYR A 107 9.680 1.842 -6.104 1.00 0.00 C ATOM 1647 CE2 TYR A 107 10.579 1.092 -4.017 1.00 0.00 C ATOM 1648 CZ TYR A 107 9.697 1.883 -4.727 1.00 0.00 C ATOM 1649 OH TYR A 107 8.835 2.718 -4.060 1.00 0.00 O ATOM 0 H TYR A 107 14.271 -1.886 -7.714 1.00 0.00 H new ATOM 0 HA TYR A 107 13.113 0.592 -8.343 1.00 0.00 H new ATOM 0 HB2 TYR A 107 11.848 -1.299 -7.509 1.00 0.00 H new ATOM 0 HB3 TYR A 107 12.830 -1.394 -6.061 1.00 0.00 H new ATOM 0 HD1 TYR A 107 10.535 0.973 -7.848 1.00 0.00 H new ATOM 0 HD2 TYR A 107 12.131 -0.359 -4.143 1.00 0.00 H new ATOM 0 HE1 TYR A 107 8.991 2.462 -6.658 1.00 0.00 H new ATOM 0 HE2 TYR A 107 10.593 1.125 -2.938 1.00 0.00 H new ATOM 0 HH TYR A 107 9.334 3.475 -3.689 1.00 0.00 H new ATOM 1659 N LEU A 108 15.293 0.726 -5.981 1.00 0.00 N ATOM 1660 CA LEU A 108 16.000 1.626 -5.074 1.00 0.00 C ATOM 1661 C LEU A 108 16.395 2.927 -5.768 1.00 0.00 C ATOM 1662 O LEU A 108 16.641 3.938 -5.110 1.00 0.00 O ATOM 1663 CB LEU A 108 17.246 0.937 -4.515 1.00 0.00 C ATOM 1664 CG LEU A 108 17.103 0.381 -3.097 1.00 0.00 C ATOM 1665 CD1 LEU A 108 18.270 -0.533 -2.761 1.00 0.00 C ATOM 1666 CD2 LEU A 108 17.007 1.516 -2.089 1.00 0.00 C ATOM 0 H LEU A 108 15.745 -0.179 -6.114 1.00 0.00 H new ATOM 0 HA LEU A 108 15.322 1.873 -4.257 1.00 0.00 H new ATOM 0 HB2 LEU A 108 17.520 0.120 -5.182 1.00 0.00 H new ATOM 0 HB3 LEU A 108 18.071 1.649 -4.527 1.00 0.00 H new ATOM 0 HG LEU A 108 16.185 -0.204 -3.047 1.00 0.00 H new ATOM 0 HD11 LEU A 108 18.150 -0.919 -1.749 1.00 0.00 H new ATOM 0 HD12 LEU A 108 18.295 -1.365 -3.465 1.00 0.00 H new ATOM 0 HD13 LEU A 108 19.202 0.028 -2.828 1.00 0.00 H new ATOM 0 HD21 LEU A 108 16.906 1.104 -1.085 1.00 0.00 H new ATOM 0 HD22 LEU A 108 17.909 2.126 -2.141 1.00 0.00 H new ATOM 0 HD23 LEU A 108 16.138 2.133 -2.317 1.00 0.00 H new ATOM 1678 N GLU A 109 16.452 2.898 -7.096 1.00 0.00 N ATOM 1679 CA GLU A 109 16.822 4.077 -7.872 1.00 0.00 C ATOM 1680 C GLU A 109 15.699 5.110 -7.882 1.00 0.00 C ATOM 1681 O GLU A 109 15.888 6.239 -8.333 1.00 0.00 O ATOM 1682 CB GLU A 109 17.180 3.680 -9.304 1.00 0.00 C ATOM 1683 CG GLU A 109 18.419 2.805 -9.400 1.00 0.00 C ATOM 1684 CD GLU A 109 19.661 3.497 -8.873 1.00 0.00 C ATOM 1685 OE1 GLU A 109 20.339 4.185 -9.666 1.00 0.00 O ATOM 1686 OE2 GLU A 109 19.956 3.353 -7.668 1.00 0.00 O ATOM 0 H GLU A 109 16.247 2.071 -7.657 1.00 0.00 H new ATOM 0 HA GLU A 109 17.693 4.528 -7.397 1.00 0.00 H new ATOM 0 HB2 GLU A 109 16.336 3.151 -9.747 1.00 0.00 H new ATOM 0 HB3 GLU A 109 17.336 4.583 -9.894 1.00 0.00 H new ATOM 0 HG2 GLU A 109 18.254 1.885 -8.839 1.00 0.00 H new ATOM 0 HG3 GLU A 109 18.579 2.520 -10.440 1.00 0.00 H new ATOM 1693 N THR A 110 14.531 4.718 -7.384 1.00 0.00 N ATOM 1694 CA THR A 110 13.379 5.612 -7.337 1.00 0.00 C ATOM 1695 C THR A 110 12.781 5.668 -5.935 1.00 0.00 C ATOM 1696 O THR A 110 11.604 5.991 -5.766 1.00 0.00 O ATOM 1697 CB THR A 110 12.287 5.179 -8.334 1.00 0.00 C ATOM 1698 OG1 THR A 110 11.878 3.835 -8.060 1.00 0.00 O ATOM 1699 CG2 THR A 110 12.790 5.282 -9.767 1.00 0.00 C ATOM 0 H THR A 110 14.357 3.786 -7.007 1.00 0.00 H new ATOM 0 HA THR A 110 13.739 6.603 -7.614 1.00 0.00 H new ATOM 0 HB THR A 110 11.434 5.847 -8.218 1.00 0.00 H new ATOM 0 HG1 THR A 110 12.463 3.448 -7.375 1.00 0.00 H new ATOM 0 HG21 THR A 110 12.002 4.971 -10.453 1.00 0.00 H new ATOM 0 HG22 THR A 110 13.071 6.313 -9.981 1.00 0.00 H new ATOM 0 HG23 THR A 110 13.658 4.635 -9.895 1.00 0.00 H new ATOM 1707 N HIS A 111 13.600 5.353 -4.934 1.00 0.00 N ATOM 1708 CA HIS A 111 13.163 5.370 -3.540 1.00 0.00 C ATOM 1709 C HIS A 111 12.056 4.349 -3.302 1.00 0.00 C ATOM 1710 O HIS A 111 10.876 4.688 -3.532 1.00 0.00 O ATOM 1711 CB HIS A 111 12.678 6.768 -3.146 1.00 0.00 C ATOM 1712 CG HIS A 111 13.706 7.837 -3.350 1.00 0.00 C ATOM 1713 ND1 HIS A 111 14.172 8.205 -4.595 1.00 0.00 N ATOM 1714 CD2 HIS A 111 14.363 8.617 -2.459 1.00 0.00 C ATOM 1715 CE1 HIS A 111 15.071 9.163 -4.461 1.00 0.00 C ATOM 1716 NE2 HIS A 111 15.205 9.433 -3.176 1.00 0.00 N ATOM 1717 OXT HIS A 111 12.380 3.217 -2.885 1.00 0.00 O ATOM 0 H HIS A 111 14.575 5.082 -5.064 1.00 0.00 H new ATOM 0 HA HIS A 111 14.018 5.104 -2.918 1.00 0.00 H new ATOM 0 HB2 HIS A 111 11.790 7.013 -3.729 1.00 0.00 H new ATOM 0 HB3 HIS A 111 12.379 6.758 -2.098 1.00 0.00 H new ATOM 0 HD2 HIS A 111 14.247 8.601 -1.385 1.00 0.00 H new ATOM 0 HE1 HIS A 111 15.606 9.644 -5.266 1.00 0.00 H new ATOM 0 HE2 HIS A 111 15.832 10.133 -2.780 1.00 0.00 H new