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 57:sc= 0.336 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -1.46! K(o=-1.5!,f=-0.075) USER MOD Single : A 48 ASN : amide:sc= -3.15! K(o=-3.2!,f=-0.33) USER MOD Single : A 50 GLN : amide:sc= -0.017 X(o=-0.017,f=0) USER MOD Single : A 60 LYS NZ :NH3+ -143:sc= -1.75! (180deg=-4.21!) USER MOD Single : A 66 SER OG : rot 142:sc= 1.12 USER MOD Single : A 71 SER OG : rot -95:sc= 1.04 USER MOD Single : A 76 SER OG : rot 134:sc= -0.278 USER MOD Single : A 79 GLN : amide:sc= -5.28! K(o=-5.3!,f=-0.78) USER MOD Single : A 89 MET CE :methyl -151:sc= -3.08 (180deg=-5.74!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= -2! USER MOD Single : A 97 THR OG1 : rot -140:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 169:sc= -0.0241 (180deg=-0.199) USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=-0.097) USER MOD Single : A 107 TYR OH : rot 60:sc= -0.84 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 HIS : no HE2:sc= -2.64 K(o=-2.6,f=-4.2!) USER MOD ----------------------------------------------------------------- ATOM 347 N ALA A 23 -11.532 0.489 6.165 1.00 0.00 N ATOM 348 CA ALA A 23 -11.686 -0.936 5.895 1.00 0.00 C ATOM 349 C ALA A 23 -10.342 -1.568 5.541 1.00 0.00 C ATOM 350 O ALA A 23 -10.281 -2.715 5.097 1.00 0.00 O ATOM 351 CB ALA A 23 -12.686 -1.163 4.770 1.00 0.00 C ATOM 0 HA ALA A 23 -12.065 -1.412 6.799 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -12.787 -2.232 4.583 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -13.654 -0.751 5.055 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -12.334 -0.668 3.865 1.00 0.00 H new ATOM 357 N PHE A 24 -9.267 -0.811 5.733 1.00 0.00 N ATOM 358 CA PHE A 24 -7.931 -1.294 5.439 1.00 0.00 C ATOM 359 C PHE A 24 -7.587 -2.472 6.328 1.00 0.00 C ATOM 360 O PHE A 24 -6.913 -3.410 5.908 1.00 0.00 O ATOM 361 CB PHE A 24 -6.907 -0.178 5.627 1.00 0.00 C ATOM 362 CG PHE A 24 -5.612 -0.463 4.936 1.00 0.00 C ATOM 363 CD1 PHE A 24 -4.685 -1.318 5.503 1.00 0.00 C ATOM 364 CD2 PHE A 24 -5.330 0.113 3.713 1.00 0.00 C ATOM 365 CE1 PHE A 24 -3.498 -1.595 4.859 1.00 0.00 C ATOM 366 CE2 PHE A 24 -4.145 -0.156 3.065 1.00 0.00 C ATOM 367 CZ PHE A 24 -3.226 -1.013 3.638 1.00 0.00 C ATOM 0 H PHE A 24 -9.300 0.143 6.093 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.905 -1.621 4.399 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -7.320 0.756 5.246 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -6.723 -0.035 6.692 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.893 -1.773 6.460 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -6.047 0.782 3.260 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.782 -2.267 5.310 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -3.935 0.303 2.110 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.297 -1.227 3.131 1.00 0.00 H new ATOM 377 N GLU A 25 -8.039 -2.406 7.571 1.00 0.00 N ATOM 378 CA GLU A 25 -7.781 -3.475 8.521 1.00 0.00 C ATOM 379 C GLU A 25 -8.426 -4.792 8.090 1.00 0.00 C ATOM 380 O GLU A 25 -7.729 -5.790 7.958 1.00 0.00 O ATOM 381 CB GLU A 25 -8.252 -3.115 9.916 1.00 0.00 C ATOM 382 CG GLU A 25 -7.394 -2.069 10.609 1.00 0.00 C ATOM 383 CD GLU A 25 -7.494 -0.706 9.954 1.00 0.00 C ATOM 384 OE1 GLU A 25 -6.715 -0.440 9.013 1.00 0.00 O ATOM 385 OE2 GLU A 25 -8.352 0.096 10.378 1.00 0.00 O ATOM 0 H GLU A 25 -8.583 -1.628 7.943 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.699 -3.607 8.539 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.277 -2.749 9.859 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.270 -4.018 10.526 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.697 -1.989 11.653 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -6.354 -2.395 10.603 1.00 0.00 H new ATOM 392 N PRO A 26 -9.767 -4.840 7.884 1.00 0.00 N ATOM 393 CA PRO A 26 -10.432 -6.074 7.454 1.00 0.00 C ATOM 394 C PRO A 26 -9.805 -6.585 6.167 1.00 0.00 C ATOM 395 O PRO A 26 -10.012 -7.726 5.755 1.00 0.00 O ATOM 396 CB PRO A 26 -11.895 -5.664 7.234 1.00 0.00 C ATOM 397 CG PRO A 26 -11.893 -4.172 7.198 1.00 0.00 C ATOM 398 CD PRO A 26 -10.723 -3.730 8.033 1.00 0.00 C ATOM 0 HA PRO A 26 -10.341 -6.881 8.181 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.282 -6.078 6.303 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -12.531 -6.036 8.037 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -11.800 -3.808 6.175 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -12.826 -3.772 7.595 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -10.306 -2.788 7.676 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -11.006 -3.579 9.075 1.00 0.00 H new ATOM 406 N LEU A 27 -9.035 -5.700 5.546 1.00 0.00 N ATOM 407 CA LEU A 27 -8.317 -5.988 4.324 1.00 0.00 C ATOM 408 C LEU A 27 -6.965 -6.606 4.673 1.00 0.00 C ATOM 409 O LEU A 27 -6.471 -7.504 3.992 1.00 0.00 O ATOM 410 CB LEU A 27 -8.135 -4.677 3.563 1.00 0.00 C ATOM 411 CG LEU A 27 -6.817 -4.528 2.806 1.00 0.00 C ATOM 412 CD1 LEU A 27 -6.790 -5.437 1.586 1.00 0.00 C ATOM 413 CD2 LEU A 27 -6.594 -3.080 2.402 1.00 0.00 C ATOM 0 H LEU A 27 -8.894 -4.749 5.888 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.867 -6.694 3.702 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.955 -4.574 2.852 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.222 -3.852 4.271 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.006 -4.827 3.470 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.842 -5.314 1.062 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.898 -6.474 1.903 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.610 -5.174 0.918 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.650 -2.994 1.864 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.410 -2.752 1.758 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.562 -2.454 3.294 1.00 0.00 H new ATOM 425 N LEU A 28 -6.383 -6.093 5.752 1.00 0.00 N ATOM 426 CA LEU A 28 -5.097 -6.556 6.253 1.00 0.00 C ATOM 427 C LEU A 28 -5.271 -7.891 6.968 1.00 0.00 C ATOM 428 O LEU A 28 -4.378 -8.738 6.965 1.00 0.00 O ATOM 429 CB LEU A 28 -4.525 -5.499 7.211 1.00 0.00 C ATOM 430 CG LEU A 28 -3.109 -5.743 7.753 1.00 0.00 C ATOM 431 CD1 LEU A 28 -3.121 -6.758 8.886 1.00 0.00 C ATOM 432 CD2 LEU A 28 -2.169 -6.190 6.642 1.00 0.00 C ATOM 0 H LEU A 28 -6.793 -5.341 6.305 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.404 -6.700 5.424 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.530 -4.538 6.697 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.202 -5.410 8.060 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.741 -4.798 8.151 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.105 -6.910 9.249 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.745 -6.388 9.699 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.522 -7.704 8.523 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.173 -6.356 7.053 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.539 -7.116 6.203 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.121 -5.418 5.874 1.00 0.00 H new ATOM 444 N GLU A 29 -6.439 -8.067 7.572 1.00 0.00 N ATOM 445 CA GLU A 29 -6.759 -9.285 8.294 1.00 0.00 C ATOM 446 C GLU A 29 -6.969 -10.442 7.320 1.00 0.00 C ATOM 447 O GLU A 29 -6.965 -11.610 7.712 1.00 0.00 O ATOM 448 CB GLU A 29 -8.019 -9.079 9.136 1.00 0.00 C ATOM 449 CG GLU A 29 -7.865 -8.014 10.211 1.00 0.00 C ATOM 450 CD GLU A 29 -6.791 -8.359 11.223 1.00 0.00 C ATOM 451 OE1 GLU A 29 -7.117 -9.012 12.237 1.00 0.00 O ATOM 452 OE2 GLU A 29 -5.623 -7.975 11.003 1.00 0.00 O ATOM 0 H GLU A 29 -7.186 -7.372 7.574 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.925 -9.528 8.952 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.844 -8.804 8.479 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.289 -10.024 9.608 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -7.623 -7.061 9.741 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.816 -7.883 10.727 1.00 0.00 H new ATOM 459 N SER A 30 -7.147 -10.099 6.047 1.00 0.00 N ATOM 460 CA SER A 30 -7.379 -11.087 4.997 1.00 0.00 C ATOM 461 C SER A 30 -6.159 -11.977 4.764 1.00 0.00 C ATOM 462 O SER A 30 -6.273 -13.203 4.763 1.00 0.00 O ATOM 463 CB SER A 30 -7.768 -10.382 3.696 1.00 0.00 C ATOM 464 OG SER A 30 -8.969 -9.646 3.858 1.00 0.00 O ATOM 0 H SER A 30 -7.135 -9.134 5.715 1.00 0.00 H new ATOM 0 HA SER A 30 -8.195 -11.731 5.326 1.00 0.00 H new ATOM 0 HB2 SER A 30 -6.965 -9.712 3.387 1.00 0.00 H new ATOM 0 HB3 SER A 30 -7.892 -11.118 2.902 1.00 0.00 H new ATOM 0 HG SER A 30 -8.861 -9.000 4.587 1.00 0.00 H new ATOM 470 N LEU A 31 -4.993 -11.364 4.565 1.00 0.00 N ATOM 471 CA LEU A 31 -3.766 -12.123 4.318 1.00 0.00 C ATOM 472 C LEU A 31 -3.432 -13.045 5.489 1.00 0.00 C ATOM 473 O LEU A 31 -2.520 -13.865 5.402 1.00 0.00 O ATOM 474 CB LEU A 31 -2.594 -11.176 4.034 1.00 0.00 C ATOM 475 CG LEU A 31 -2.455 -9.986 4.986 1.00 0.00 C ATOM 476 CD1 LEU A 31 -1.895 -10.427 6.331 1.00 0.00 C ATOM 477 CD2 LEU A 31 -1.575 -8.913 4.366 1.00 0.00 C ATOM 0 H LEU A 31 -4.871 -10.351 4.570 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.935 -12.746 3.440 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.669 -11.753 4.066 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.697 -10.795 3.018 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.447 -9.567 5.156 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.806 -9.563 6.989 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.565 -11.159 6.782 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.912 -10.876 6.186 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.486 -8.073 5.055 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.586 -9.325 4.165 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.022 -8.571 3.433 1.00 0.00 H new ATOM 489 N SER A 32 -4.177 -12.909 6.579 1.00 0.00 N ATOM 490 CA SER A 32 -3.960 -13.740 7.758 1.00 0.00 C ATOM 491 C SER A 32 -4.784 -15.022 7.666 1.00 0.00 C ATOM 492 O SER A 32 -5.035 -15.685 8.673 1.00 0.00 O ATOM 493 CB SER A 32 -4.328 -12.966 9.026 1.00 0.00 C ATOM 494 OG SER A 32 -3.545 -11.793 9.151 1.00 0.00 O ATOM 0 H SER A 32 -4.935 -12.233 6.672 1.00 0.00 H new ATOM 0 HA SER A 32 -2.904 -14.008 7.803 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.385 -12.701 9.000 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.180 -13.601 9.900 1.00 0.00 H new ATOM 0 HG SER A 32 -3.800 -11.315 9.968 1.00 0.00 H new ATOM 500 N ASN A 33 -5.197 -15.363 6.447 1.00 0.00 N ATOM 501 CA ASN A 33 -5.992 -16.563 6.207 1.00 0.00 C ATOM 502 C ASN A 33 -5.149 -17.661 5.568 1.00 0.00 C ATOM 503 O ASN A 33 -4.189 -17.383 4.851 1.00 0.00 O ATOM 504 CB ASN A 33 -7.179 -16.238 5.297 1.00 0.00 C ATOM 505 CG ASN A 33 -8.266 -15.458 6.011 1.00 0.00 C ATOM 506 OD1 ASN A 33 -8.916 -14.594 5.422 1.00 0.00 O ATOM 507 ND2 ASN A 33 -8.475 -15.766 7.286 1.00 0.00 N ATOM 0 H ASN A 33 -4.992 -14.821 5.607 1.00 0.00 H new ATOM 0 HA ASN A 33 -6.357 -16.920 7.170 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -6.828 -15.663 4.440 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -7.599 -17.166 4.908 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -9.198 -15.279 7.816 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -7.913 -16.489 7.735 1.00 0.00 H new ATOM 514 N GLU A 34 -5.512 -18.911 5.840 1.00 0.00 N ATOM 515 CA GLU A 34 -4.796 -20.053 5.284 1.00 0.00 C ATOM 516 C GLU A 34 -4.992 -20.128 3.773 1.00 0.00 C ATOM 517 O GLU A 34 -4.291 -20.869 3.082 1.00 0.00 O ATOM 518 CB GLU A 34 -5.276 -21.351 5.938 1.00 0.00 C ATOM 519 CG GLU A 34 -6.768 -21.600 5.781 1.00 0.00 C ATOM 520 CD GLU A 34 -7.219 -22.882 6.456 1.00 0.00 C ATOM 521 OE1 GLU A 34 -7.413 -22.866 7.690 1.00 0.00 O ATOM 522 OE2 GLU A 34 -7.378 -23.900 5.750 1.00 0.00 O ATOM 0 H GLU A 34 -6.298 -19.158 6.442 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.734 -19.923 5.491 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.729 -22.189 5.505 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.031 -21.325 7.000 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -7.319 -20.759 6.201 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -7.016 -21.645 4.720 1.00 0.00 H new ATOM 529 N ASP A 35 -5.943 -19.349 3.263 1.00 0.00 N ATOM 530 CA ASP A 35 -6.232 -19.328 1.833 1.00 0.00 C ATOM 531 C ASP A 35 -5.167 -18.539 1.081 1.00 0.00 C ATOM 532 O ASP A 35 -4.527 -17.650 1.641 1.00 0.00 O ATOM 533 CB ASP A 35 -7.611 -18.715 1.578 1.00 0.00 C ATOM 534 CG ASP A 35 -8.716 -19.464 2.294 1.00 0.00 C ATOM 535 OD1 ASP A 35 -9.228 -20.452 1.724 1.00 0.00 O ATOM 536 OD2 ASP A 35 -9.070 -19.066 3.423 1.00 0.00 O ATOM 0 H ASP A 35 -6.526 -18.724 3.820 1.00 0.00 H new ATOM 0 HA ASP A 35 -6.227 -20.356 1.469 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.610 -17.675 1.905 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -7.812 -18.712 0.507 1.00 0.00 H new ATOM 541 N TRP A 36 -4.982 -18.873 -0.193 1.00 0.00 N ATOM 542 CA TRP A 36 -3.990 -18.202 -1.025 1.00 0.00 C ATOM 543 C TRP A 36 -4.650 -17.199 -1.964 1.00 0.00 C ATOM 544 O TRP A 36 -4.069 -16.161 -2.286 1.00 0.00 O ATOM 545 CB TRP A 36 -3.198 -19.234 -1.828 1.00 0.00 C ATOM 546 CG TRP A 36 -2.468 -20.212 -0.962 1.00 0.00 C ATOM 547 CD1 TRP A 36 -2.839 -21.496 -0.677 1.00 0.00 C ATOM 548 CD2 TRP A 36 -1.241 -19.985 -0.259 1.00 0.00 C ATOM 549 NE1 TRP A 36 -1.916 -22.079 0.157 1.00 0.00 N ATOM 550 CE2 TRP A 36 -0.927 -21.172 0.427 1.00 0.00 C ATOM 551 CE3 TRP A 36 -0.377 -18.893 -0.144 1.00 0.00 C ATOM 552 CZ2 TRP A 36 0.212 -21.299 1.216 1.00 0.00 C ATOM 553 CZ3 TRP A 36 0.754 -19.020 0.640 1.00 0.00 C ATOM 554 CH2 TRP A 36 1.040 -20.216 1.310 1.00 0.00 C ATOM 0 H TRP A 36 -5.507 -19.605 -0.671 1.00 0.00 H new ATOM 0 HA TRP A 36 -3.309 -17.656 -0.372 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -3.879 -19.776 -2.485 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -2.482 -18.718 -2.467 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -3.728 -21.981 -1.052 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -1.960 -23.033 0.516 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -0.589 -17.967 -0.658 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 0.434 -22.220 1.735 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 1.429 -18.182 0.738 1.00 0.00 H new ATOM 0 HH2 TRP A 36 1.933 -20.284 1.913 1.00 0.00 H new ATOM 565 N ARG A 37 -5.866 -17.512 -2.400 1.00 0.00 N ATOM 566 CA ARG A 37 -6.604 -16.635 -3.303 1.00 0.00 C ATOM 567 C ARG A 37 -6.876 -15.283 -2.649 1.00 0.00 C ATOM 568 O ARG A 37 -6.798 -14.241 -3.301 1.00 0.00 O ATOM 569 CB ARG A 37 -7.919 -17.292 -3.731 1.00 0.00 C ATOM 570 CG ARG A 37 -8.813 -17.685 -2.567 1.00 0.00 C ATOM 571 CD ARG A 37 -10.157 -18.211 -3.048 1.00 0.00 C ATOM 572 NE ARG A 37 -11.013 -18.615 -1.937 1.00 0.00 N ATOM 573 CZ ARG A 37 -12.313 -18.870 -2.062 1.00 0.00 C ATOM 574 NH1 ARG A 37 -12.900 -18.774 -3.248 1.00 0.00 N ATOM 575 NH2 ARG A 37 -13.026 -19.223 -1.000 1.00 0.00 N ATOM 0 H ARG A 37 -6.361 -18.366 -2.143 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.991 -16.468 -4.189 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -8.463 -16.606 -4.380 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.696 -18.180 -4.322 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -8.316 -18.448 -1.967 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -8.970 -16.822 -1.920 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -10.660 -17.441 -3.632 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -9.998 -19.061 -3.711 1.00 0.00 H new ATOM 0 HE ARG A 37 -10.591 -18.707 -1.013 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -12.355 -18.504 -4.067 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -13.897 -18.970 -3.341 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -12.578 -19.299 -0.087 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -14.022 -19.418 -1.097 1.00 0.00 H new ATOM 589 N ILE A 38 -7.200 -15.303 -1.359 1.00 0.00 N ATOM 590 CA ILE A 38 -7.472 -14.073 -0.620 1.00 0.00 C ATOM 591 C ILE A 38 -6.169 -13.424 -0.164 1.00 0.00 C ATOM 592 O ILE A 38 -6.067 -12.200 -0.076 1.00 0.00 O ATOM 593 CB ILE A 38 -8.363 -14.335 0.611 1.00 0.00 C ATOM 594 CG1 ILE A 38 -9.598 -15.148 0.213 1.00 0.00 C ATOM 595 CG2 ILE A 38 -8.775 -13.020 1.256 1.00 0.00 C ATOM 596 CD1 ILE A 38 -10.429 -15.607 1.391 1.00 0.00 C ATOM 0 H ILE A 38 -7.281 -16.155 -0.804 1.00 0.00 H new ATOM 0 HA ILE A 38 -8.001 -13.402 -1.296 1.00 0.00 H new ATOM 0 HB ILE A 38 -7.791 -14.912 1.338 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -10.222 -14.545 -0.447 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -9.279 -16.020 -0.358 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -9.404 -13.221 2.123 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.885 -12.475 1.571 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -9.332 -12.420 0.536 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -11.286 -16.176 1.032 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -9.822 -16.237 2.041 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -10.778 -14.739 1.950 1.00 0.00 H new ATOM 608 N ARG A 39 -5.176 -14.262 0.121 1.00 0.00 N ATOM 609 CA ARG A 39 -3.869 -13.796 0.570 1.00 0.00 C ATOM 610 C ARG A 39 -3.233 -12.859 -0.453 1.00 0.00 C ATOM 611 O ARG A 39 -2.600 -11.867 -0.091 1.00 0.00 O ATOM 612 CB ARG A 39 -2.950 -14.996 0.813 1.00 0.00 C ATOM 613 CG ARG A 39 -2.504 -15.149 2.258 1.00 0.00 C ATOM 614 CD ARG A 39 -1.186 -14.436 2.516 1.00 0.00 C ATOM 615 NE ARG A 39 -0.649 -14.750 3.838 1.00 0.00 N ATOM 616 CZ ARG A 39 0.531 -14.325 4.280 1.00 0.00 C ATOM 617 NH1 ARG A 39 1.299 -13.564 3.511 1.00 0.00 N ATOM 618 NH2 ARG A 39 0.944 -14.662 5.494 1.00 0.00 N ATOM 0 H ARG A 39 -5.254 -15.276 0.048 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.006 -13.242 1.498 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.467 -15.905 0.505 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.068 -14.900 0.179 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.271 -14.748 2.920 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.399 -16.207 2.497 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.463 -14.722 1.753 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.332 -13.359 2.429 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.213 -15.330 4.459 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.985 -13.302 2.576 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.203 -13.240 3.854 1.00 0.00 H new ATOM 0 HH21 ARG A 39 0.357 -15.247 6.088 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.849 -14.336 5.834 1.00 0.00 H new ATOM 632 N GLY A 40 -3.408 -13.181 -1.732 1.00 0.00 N ATOM 633 CA GLY A 40 -2.837 -12.367 -2.790 1.00 0.00 C ATOM 634 C GLY A 40 -3.568 -11.052 -2.982 1.00 0.00 C ATOM 635 O GLY A 40 -2.953 -9.989 -2.962 1.00 0.00 O ATOM 0 H GLY A 40 -3.936 -13.992 -2.054 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.790 -12.165 -2.562 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.857 -12.928 -3.724 1.00 0.00 H new ATOM 639 N ALA A 41 -4.881 -11.130 -3.179 1.00 0.00 N ATOM 640 CA ALA A 41 -5.709 -9.944 -3.380 1.00 0.00 C ATOM 641 C ALA A 41 -5.464 -8.893 -2.300 1.00 0.00 C ATOM 642 O ALA A 41 -5.436 -7.696 -2.583 1.00 0.00 O ATOM 643 CB ALA A 41 -7.179 -10.332 -3.410 1.00 0.00 C ATOM 0 H ALA A 41 -5.398 -12.009 -3.204 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.431 -9.504 -4.338 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.788 -9.440 -3.560 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.354 -11.033 -4.227 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.451 -10.802 -2.465 1.00 0.00 H new ATOM 649 N ALA A 42 -5.288 -9.349 -1.063 1.00 0.00 N ATOM 650 CA ALA A 42 -5.051 -8.443 0.056 1.00 0.00 C ATOM 651 C ALA A 42 -3.732 -7.694 -0.109 1.00 0.00 C ATOM 652 O ALA A 42 -3.608 -6.539 0.299 1.00 0.00 O ATOM 653 CB ALA A 42 -5.063 -9.212 1.369 1.00 0.00 C ATOM 0 H ALA A 42 -5.305 -10.337 -0.811 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.855 -7.707 0.070 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.885 -8.524 2.195 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.032 -9.693 1.500 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.280 -9.971 1.354 1.00 0.00 H new ATOM 659 N ALA A 43 -2.755 -8.361 -0.710 1.00 0.00 N ATOM 660 CA ALA A 43 -1.437 -7.776 -0.936 1.00 0.00 C ATOM 661 C ALA A 43 -1.403 -6.964 -2.226 1.00 0.00 C ATOM 662 O ALA A 43 -0.640 -6.006 -2.353 1.00 0.00 O ATOM 663 CB ALA A 43 -0.397 -8.877 -1.002 1.00 0.00 C ATOM 0 H ALA A 43 -2.851 -9.317 -1.053 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.217 -7.105 -0.106 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.587 -8.439 -1.171 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.392 -9.429 -0.062 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.637 -9.556 -1.820 1.00 0.00 H new ATOM 669 N TRP A 44 -2.237 -7.361 -3.179 1.00 0.00 N ATOM 670 CA TRP A 44 -2.304 -6.704 -4.478 1.00 0.00 C ATOM 671 C TRP A 44 -2.903 -5.300 -4.387 1.00 0.00 C ATOM 672 O TRP A 44 -2.542 -4.414 -5.162 1.00 0.00 O ATOM 673 CB TRP A 44 -3.121 -7.563 -5.445 1.00 0.00 C ATOM 674 CG TRP A 44 -2.270 -8.430 -6.318 1.00 0.00 C ATOM 675 CD1 TRP A 44 -1.541 -9.516 -5.930 1.00 0.00 C ATOM 676 CD2 TRP A 44 -2.054 -8.283 -7.725 1.00 0.00 C ATOM 677 NE1 TRP A 44 -0.885 -10.054 -7.010 1.00 0.00 N ATOM 678 CE2 TRP A 44 -1.185 -9.316 -8.124 1.00 0.00 C ATOM 679 CE3 TRP A 44 -2.513 -7.379 -8.689 1.00 0.00 C ATOM 680 CZ2 TRP A 44 -0.764 -9.470 -9.443 1.00 0.00 C ATOM 681 CZ3 TRP A 44 -2.095 -7.532 -9.998 1.00 0.00 C ATOM 682 CH2 TRP A 44 -1.229 -8.570 -10.364 1.00 0.00 C ATOM 0 H TRP A 44 -2.883 -8.143 -3.074 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.284 -6.595 -4.848 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -3.805 -8.191 -4.875 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -3.732 -6.914 -6.072 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.488 -9.897 -4.921 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.274 -10.870 -6.986 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.182 -6.576 -8.416 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -0.096 -10.269 -9.728 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -2.442 -6.840 -10.751 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.921 -8.663 -11.395 1.00 0.00 H new ATOM 693 N ILE A 45 -3.816 -5.102 -3.442 1.00 0.00 N ATOM 694 CA ILE A 45 -4.470 -3.808 -3.269 1.00 0.00 C ATOM 695 C ILE A 45 -3.830 -3.014 -2.136 1.00 0.00 C ATOM 696 O ILE A 45 -3.980 -1.794 -2.053 1.00 0.00 O ATOM 697 CB ILE A 45 -5.976 -3.975 -2.986 1.00 0.00 C ATOM 698 CG1 ILE A 45 -6.591 -4.974 -3.971 1.00 0.00 C ATOM 699 CG2 ILE A 45 -6.684 -2.630 -3.076 1.00 0.00 C ATOM 700 CD1 ILE A 45 -8.030 -5.327 -3.661 1.00 0.00 C ATOM 0 H ILE A 45 -4.120 -5.820 -2.784 1.00 0.00 H new ATOM 0 HA ILE A 45 -4.344 -3.261 -4.203 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.102 -4.363 -1.975 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.537 -4.559 -4.977 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.994 -5.886 -3.970 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -7.747 -2.764 -2.874 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.259 -1.945 -2.343 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.554 -2.217 -4.076 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -8.398 -6.038 -4.400 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.090 -5.772 -2.668 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -8.641 -4.425 -3.691 1.00 0.00 H new ATOM 712 N ILE A 46 -3.117 -3.721 -1.267 1.00 0.00 N ATOM 713 CA ILE A 46 -2.456 -3.105 -0.122 1.00 0.00 C ATOM 714 C ILE A 46 -1.602 -1.905 -0.536 1.00 0.00 C ATOM 715 O ILE A 46 -1.396 -0.981 0.251 1.00 0.00 O ATOM 716 CB ILE A 46 -1.583 -4.138 0.632 1.00 0.00 C ATOM 717 CG1 ILE A 46 -1.658 -3.893 2.138 1.00 0.00 C ATOM 718 CG2 ILE A 46 -0.136 -4.094 0.155 1.00 0.00 C ATOM 719 CD1 ILE A 46 -2.084 -5.113 2.928 1.00 0.00 C ATOM 0 H ILE A 46 -2.981 -4.730 -1.335 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.240 -2.747 0.545 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.974 -5.132 0.416 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.682 -3.562 2.493 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.359 -3.081 2.332 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.451 -4.831 0.704 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.097 -4.320 -0.911 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.275 -3.100 0.330 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.116 -4.866 3.989 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.073 -5.432 2.600 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.370 -5.920 2.764 1.00 0.00 H new ATOM 731 N GLY A 47 -1.115 -1.916 -1.774 1.00 0.00 N ATOM 732 CA GLY A 47 -0.277 -0.830 -2.251 1.00 0.00 C ATOM 733 C GLY A 47 -1.059 0.256 -2.965 1.00 0.00 C ATOM 734 O GLY A 47 -0.604 1.396 -3.056 1.00 0.00 O ATOM 0 H GLY A 47 -1.286 -2.657 -2.454 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.254 -0.391 -1.406 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.477 -1.231 -2.928 1.00 0.00 H new ATOM 738 N ASN A 48 -2.235 -0.093 -3.471 1.00 0.00 N ATOM 739 CA ASN A 48 -3.070 0.865 -4.186 1.00 0.00 C ATOM 740 C ASN A 48 -3.648 1.920 -3.244 1.00 0.00 C ATOM 741 O ASN A 48 -4.190 2.929 -3.694 1.00 0.00 O ATOM 742 CB ASN A 48 -4.204 0.143 -4.916 1.00 0.00 C ATOM 743 CG ASN A 48 -3.710 -0.645 -6.115 1.00 0.00 C ATOM 744 OD1 ASN A 48 -3.670 -0.134 -7.233 1.00 0.00 O ATOM 745 ND2 ASN A 48 -3.330 -1.896 -5.885 1.00 0.00 N ATOM 0 H ASN A 48 -2.632 -1.030 -3.400 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.437 1.372 -4.914 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.707 -0.532 -4.223 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.944 0.873 -5.244 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -2.988 -2.474 -6.652 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.380 -2.279 -4.941 1.00 0.00 H new ATOM 752 N PHE A 49 -3.532 1.687 -1.939 1.00 0.00 N ATOM 753 CA PHE A 49 -4.056 2.630 -0.955 1.00 0.00 C ATOM 754 C PHE A 49 -2.953 3.485 -0.347 1.00 0.00 C ATOM 755 O PHE A 49 -3.168 4.660 -0.047 1.00 0.00 O ATOM 756 CB PHE A 49 -4.814 1.892 0.151 1.00 0.00 C ATOM 757 CG PHE A 49 -6.041 1.158 -0.322 1.00 0.00 C ATOM 758 CD1 PHE A 49 -6.805 1.639 -1.376 1.00 0.00 C ATOM 759 CD2 PHE A 49 -6.432 -0.017 0.299 1.00 0.00 C ATOM 760 CE1 PHE A 49 -7.933 0.959 -1.800 1.00 0.00 C ATOM 761 CE2 PHE A 49 -7.557 -0.699 -0.119 1.00 0.00 C ATOM 762 CZ PHE A 49 -8.308 -0.211 -1.170 1.00 0.00 C ATOM 0 H PHE A 49 -3.084 0.861 -1.541 1.00 0.00 H new ATOM 0 HA PHE A 49 -4.744 3.293 -1.479 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -4.139 1.179 0.625 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.107 2.611 0.916 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -6.516 2.554 -1.871 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.849 -0.405 1.121 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -8.519 1.343 -2.622 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -7.850 -1.613 0.376 1.00 0.00 H new ATOM 0 HZ PHE A 49 -9.188 -0.744 -1.499 1.00 0.00 H new ATOM 772 N GLN A 50 -1.781 2.890 -0.158 1.00 0.00 N ATOM 773 CA GLN A 50 -0.639 3.599 0.409 1.00 0.00 C ATOM 774 C GLN A 50 -0.871 3.910 1.881 1.00 0.00 C ATOM 775 O GLN A 50 -1.107 5.058 2.261 1.00 0.00 O ATOM 776 CB GLN A 50 -0.358 4.888 -0.367 1.00 0.00 C ATOM 777 CG GLN A 50 1.076 5.004 -0.835 1.00 0.00 C ATOM 778 CD GLN A 50 1.325 6.243 -1.672 1.00 0.00 C ATOM 779 OE1 GLN A 50 1.653 7.307 -1.145 1.00 0.00 O ATOM 780 NE2 GLN A 50 1.174 6.112 -2.985 1.00 0.00 N ATOM 0 H GLN A 50 -1.596 1.914 -0.390 1.00 0.00 H new ATOM 0 HA GLN A 50 0.232 2.949 0.326 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -1.020 4.935 -1.232 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -0.597 5.744 0.265 1.00 0.00 H new ATOM 0 HG2 GLN A 50 1.736 5.019 0.032 1.00 0.00 H new ATOM 0 HG3 GLN A 50 1.335 4.120 -1.418 1.00 0.00 H new ATOM 0 HE21 GLN A 50 0.901 5.212 -3.380 1.00 0.00 H new ATOM 0 HE22 GLN A 50 1.331 6.911 -3.599 1.00 0.00 H new ATOM 789 N ASP A 51 -0.813 2.872 2.703 1.00 0.00 N ATOM 790 CA ASP A 51 -1.013 3.023 4.139 1.00 0.00 C ATOM 791 C ASP A 51 0.145 2.417 4.926 1.00 0.00 C ATOM 792 O ASP A 51 1.005 1.739 4.365 1.00 0.00 O ATOM 793 CB ASP A 51 -2.330 2.373 4.554 1.00 0.00 C ATOM 794 CG ASP A 51 -3.534 3.162 4.078 1.00 0.00 C ATOM 795 OD1 ASP A 51 -4.000 2.910 2.949 1.00 0.00 O ATOM 796 OD2 ASP A 51 -4.008 4.034 4.836 1.00 0.00 O ATOM 0 H ASP A 51 -0.629 1.915 2.401 1.00 0.00 H new ATOM 0 HA ASP A 51 -1.051 4.088 4.366 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.377 1.362 4.149 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.363 2.284 5.640 1.00 0.00 H new ATOM 801 N GLU A 52 0.157 2.673 6.231 1.00 0.00 N ATOM 802 CA GLU A 52 1.213 2.170 7.102 1.00 0.00 C ATOM 803 C GLU A 52 1.175 0.645 7.211 1.00 0.00 C ATOM 804 O GLU A 52 2.219 -0.002 7.249 1.00 0.00 O ATOM 805 CB GLU A 52 1.103 2.796 8.498 1.00 0.00 C ATOM 806 CG GLU A 52 -0.177 2.441 9.239 1.00 0.00 C ATOM 807 CD GLU A 52 -1.393 3.158 8.686 1.00 0.00 C ATOM 808 OE1 GLU A 52 -1.484 4.392 8.856 1.00 0.00 O ATOM 809 OE2 GLU A 52 -2.253 2.485 8.079 1.00 0.00 O ATOM 0 H GLU A 52 -0.554 3.227 6.709 1.00 0.00 H new ATOM 0 HA GLU A 52 2.166 2.454 6.656 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.957 2.477 9.096 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.167 3.880 8.404 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -0.338 1.365 9.182 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.062 2.690 10.294 1.00 0.00 H new ATOM 816 N ARG A 53 -0.025 0.076 7.271 1.00 0.00 N ATOM 817 CA ARG A 53 -0.174 -1.375 7.385 1.00 0.00 C ATOM 818 C ARG A 53 0.253 -2.085 6.102 1.00 0.00 C ATOM 819 O ARG A 53 0.358 -3.311 6.072 1.00 0.00 O ATOM 820 CB ARG A 53 -1.616 -1.767 7.736 1.00 0.00 C ATOM 821 CG ARG A 53 -2.492 -0.614 8.198 1.00 0.00 C ATOM 822 CD ARG A 53 -3.708 -1.115 8.960 1.00 0.00 C ATOM 823 NE ARG A 53 -3.345 -1.695 10.251 1.00 0.00 N ATOM 824 CZ ARG A 53 -3.721 -2.907 10.650 1.00 0.00 C ATOM 825 NH1 ARG A 53 -4.450 -3.677 9.851 1.00 0.00 N ATOM 826 NH2 ARG A 53 -3.365 -3.354 11.847 1.00 0.00 N ATOM 0 H ARG A 53 -0.905 0.592 7.243 1.00 0.00 H new ATOM 0 HA ARG A 53 0.482 -1.694 8.195 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.076 -2.228 6.862 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.592 -2.524 8.520 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -1.912 0.054 8.834 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.815 -0.032 7.335 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.403 -0.290 9.116 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.229 -1.862 8.361 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.770 -1.138 10.883 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.723 -3.340 8.928 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.737 -4.606 10.160 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.802 -2.768 12.463 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -3.654 -4.284 12.151 1.00 0.00 H new ATOM 840 N ALA A 54 0.485 -1.316 5.042 1.00 0.00 N ATOM 841 CA ALA A 54 0.876 -1.889 3.755 1.00 0.00 C ATOM 842 C ALA A 54 2.389 -2.053 3.619 1.00 0.00 C ATOM 843 O ALA A 54 2.888 -2.329 2.528 1.00 0.00 O ATOM 844 CB ALA A 54 0.347 -1.028 2.620 1.00 0.00 C ATOM 0 H ALA A 54 0.410 -0.299 5.047 1.00 0.00 H new ATOM 0 HA ALA A 54 0.437 -2.885 3.703 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.643 -1.463 1.665 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.741 -0.981 2.676 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.759 -0.022 2.704 1.00 0.00 H new ATOM 850 N VAL A 55 3.120 -1.877 4.714 1.00 0.00 N ATOM 851 CA VAL A 55 4.573 -2.011 4.675 1.00 0.00 C ATOM 852 C VAL A 55 5.033 -3.429 5.020 1.00 0.00 C ATOM 853 O VAL A 55 5.846 -4.015 4.304 1.00 0.00 O ATOM 854 CB VAL A 55 5.265 -0.996 5.608 1.00 0.00 C ATOM 855 CG1 VAL A 55 4.883 0.422 5.217 1.00 0.00 C ATOM 856 CG2 VAL A 55 4.918 -1.263 7.066 1.00 0.00 C ATOM 0 H VAL A 55 2.737 -1.644 5.630 1.00 0.00 H new ATOM 0 HA VAL A 55 4.868 -1.799 3.647 1.00 0.00 H new ATOM 0 HB VAL A 55 6.343 -1.112 5.497 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.378 1.129 5.883 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.194 0.612 4.190 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.803 0.543 5.297 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.420 -0.532 7.699 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.840 -1.183 7.204 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.245 -2.266 7.340 1.00 0.00 H new ATOM 866 N GLU A 56 4.517 -3.974 6.119 1.00 0.00 N ATOM 867 CA GLU A 56 4.899 -5.315 6.561 1.00 0.00 C ATOM 868 C GLU A 56 4.564 -6.386 5.517 1.00 0.00 C ATOM 869 O GLU A 56 5.430 -7.185 5.161 1.00 0.00 O ATOM 870 CB GLU A 56 4.251 -5.652 7.906 1.00 0.00 C ATOM 871 CG GLU A 56 4.656 -7.016 8.444 1.00 0.00 C ATOM 872 CD GLU A 56 3.679 -8.110 8.061 1.00 0.00 C ATOM 873 OE1 GLU A 56 2.673 -8.286 8.781 1.00 0.00 O ATOM 874 OE2 GLU A 56 3.919 -8.791 7.043 1.00 0.00 O ATOM 0 H GLU A 56 3.835 -3.510 6.719 1.00 0.00 H new ATOM 0 HA GLU A 56 5.982 -5.312 6.686 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.522 -4.887 8.634 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.167 -5.619 7.798 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.647 -7.271 8.067 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.731 -6.966 9.530 1.00 0.00 H new ATOM 881 N PRO A 57 3.305 -6.435 5.020 1.00 0.00 N ATOM 882 CA PRO A 57 2.893 -7.425 4.021 1.00 0.00 C ATOM 883 C PRO A 57 3.946 -7.639 2.943 1.00 0.00 C ATOM 884 O PRO A 57 4.370 -8.765 2.693 1.00 0.00 O ATOM 885 CB PRO A 57 1.640 -6.794 3.419 1.00 0.00 C ATOM 886 CG PRO A 57 1.036 -6.034 4.547 1.00 0.00 C ATOM 887 CD PRO A 57 2.189 -5.535 5.382 1.00 0.00 C ATOM 0 HA PRO A 57 2.735 -8.411 4.459 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.886 -6.138 2.584 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.956 -7.552 3.038 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.434 -5.203 4.179 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.375 -6.670 5.136 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.425 -4.495 5.157 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.963 -5.587 6.447 1.00 0.00 H new ATOM 895 N LEU A 58 4.378 -6.548 2.326 1.00 0.00 N ATOM 896 CA LEU A 58 5.376 -6.614 1.265 1.00 0.00 C ATOM 897 C LEU A 58 6.611 -7.399 1.700 1.00 0.00 C ATOM 898 O LEU A 58 7.073 -8.278 0.980 1.00 0.00 O ATOM 899 CB LEU A 58 5.781 -5.203 0.827 1.00 0.00 C ATOM 900 CG LEU A 58 4.633 -4.192 0.729 1.00 0.00 C ATOM 901 CD1 LEU A 58 5.113 -2.904 0.079 1.00 0.00 C ATOM 902 CD2 LEU A 58 3.459 -4.775 -0.045 1.00 0.00 C ATOM 0 H LEU A 58 4.053 -5.605 2.541 1.00 0.00 H new ATOM 0 HA LEU A 58 4.925 -7.138 0.422 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.521 -4.821 1.530 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.269 -5.268 -0.145 1.00 0.00 H new ATOM 0 HG LEU A 58 4.293 -3.966 1.740 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.285 -2.197 0.017 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.915 -2.472 0.677 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.483 -3.118 -0.924 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.658 -4.038 -0.100 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.782 -5.037 -1.053 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.096 -5.668 0.463 1.00 0.00 H new ATOM 914 N ILE A 59 7.132 -7.090 2.881 1.00 0.00 N ATOM 915 CA ILE A 59 8.325 -7.766 3.390 1.00 0.00 C ATOM 916 C ILE A 59 8.160 -9.287 3.416 1.00 0.00 C ATOM 917 O ILE A 59 8.950 -10.015 2.813 1.00 0.00 O ATOM 918 CB ILE A 59 8.689 -7.279 4.805 1.00 0.00 C ATOM 919 CG1 ILE A 59 8.780 -5.751 4.833 1.00 0.00 C ATOM 920 CG2 ILE A 59 10.005 -7.902 5.252 1.00 0.00 C ATOM 921 CD1 ILE A 59 9.051 -5.181 6.209 1.00 0.00 C ATOM 0 H ILE A 59 6.751 -6.378 3.505 1.00 0.00 H new ATOM 0 HA ILE A 59 9.131 -7.513 2.701 1.00 0.00 H new ATOM 0 HB ILE A 59 7.906 -7.590 5.497 1.00 0.00 H new ATOM 0 HG12 ILE A 59 9.571 -5.431 4.155 1.00 0.00 H new ATOM 0 HG13 ILE A 59 7.847 -5.334 4.454 1.00 0.00 H new ATOM 0 HG21 ILE A 59 10.252 -7.550 6.254 1.00 0.00 H new ATOM 0 HG22 ILE A 59 9.909 -8.988 5.262 1.00 0.00 H new ATOM 0 HG23 ILE A 59 10.797 -7.614 4.561 1.00 0.00 H new ATOM 0 HD11 ILE A 59 9.102 -4.094 6.149 1.00 0.00 H new ATOM 0 HD12 ILE A 59 8.248 -5.470 6.887 1.00 0.00 H new ATOM 0 HD13 ILE A 59 9.999 -5.568 6.583 1.00 0.00 H new ATOM 933 N LYS A 60 7.133 -9.757 4.112 1.00 0.00 N ATOM 934 CA LYS A 60 6.870 -11.191 4.242 1.00 0.00 C ATOM 935 C LYS A 60 6.403 -11.814 2.924 1.00 0.00 C ATOM 936 O LYS A 60 6.435 -13.035 2.762 1.00 0.00 O ATOM 937 CB LYS A 60 5.811 -11.417 5.326 1.00 0.00 C ATOM 938 CG LYS A 60 5.428 -12.874 5.531 1.00 0.00 C ATOM 939 CD LYS A 60 6.536 -13.662 6.215 1.00 0.00 C ATOM 940 CE LYS A 60 6.591 -13.371 7.707 1.00 0.00 C ATOM 941 NZ LYS A 60 7.225 -12.057 8.003 1.00 0.00 N ATOM 0 H LYS A 60 6.462 -9.164 4.600 1.00 0.00 H new ATOM 0 HA LYS A 60 7.805 -11.678 4.519 1.00 0.00 H new ATOM 0 HB2 LYS A 60 6.181 -11.014 6.269 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.916 -10.851 5.067 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.520 -12.929 6.131 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.201 -13.329 4.567 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.375 -14.729 6.057 1.00 0.00 H new ATOM 0 HD3 LYS A 60 7.495 -13.413 5.760 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.580 -13.384 8.115 1.00 0.00 H new ATOM 0 HE3 LYS A 60 7.148 -14.162 8.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 7.795 -12.134 8.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 7.838 -11.781 7.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 6.486 -11.337 8.137 1.00 0.00 H new ATOM 955 N LEU A 61 5.986 -10.976 1.982 1.00 0.00 N ATOM 956 CA LEU A 61 5.482 -11.454 0.695 1.00 0.00 C ATOM 957 C LEU A 61 6.584 -11.622 -0.349 1.00 0.00 C ATOM 958 O LEU A 61 6.640 -12.636 -1.042 1.00 0.00 O ATOM 959 CB LEU A 61 4.425 -10.486 0.173 1.00 0.00 C ATOM 960 CG LEU A 61 2.996 -10.725 0.671 1.00 0.00 C ATOM 961 CD1 LEU A 61 2.976 -11.344 2.063 1.00 0.00 C ATOM 962 CD2 LEU A 61 2.219 -9.422 0.665 1.00 0.00 C ATOM 0 H LEU A 61 5.986 -9.961 2.083 1.00 0.00 H new ATOM 0 HA LEU A 61 5.050 -12.440 0.864 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.720 -9.473 0.447 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.423 -10.533 -0.916 1.00 0.00 H new ATOM 0 HG LEU A 61 2.522 -11.433 -0.009 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.944 -11.497 2.378 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.495 -12.302 2.043 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.475 -10.676 2.765 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.204 -9.602 1.020 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.711 -8.702 1.319 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.183 -9.025 -0.349 1.00 0.00 H new ATOM 974 N LEU A 62 7.449 -10.623 -0.460 1.00 0.00 N ATOM 975 CA LEU A 62 8.538 -10.651 -1.427 1.00 0.00 C ATOM 976 C LEU A 62 9.440 -11.848 -1.168 1.00 0.00 C ATOM 977 O LEU A 62 10.252 -12.228 -2.011 1.00 0.00 O ATOM 978 CB LEU A 62 9.329 -9.348 -1.342 1.00 0.00 C ATOM 979 CG LEU A 62 8.504 -8.087 -1.604 1.00 0.00 C ATOM 980 CD1 LEU A 62 9.054 -6.908 -0.816 1.00 0.00 C ATOM 981 CD2 LEU A 62 8.483 -7.770 -3.092 1.00 0.00 C ATOM 0 H LEU A 62 7.417 -9.779 0.111 1.00 0.00 H new ATOM 0 HA LEU A 62 8.127 -10.748 -2.432 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.778 -9.274 -0.351 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.148 -9.387 -2.061 1.00 0.00 H new ATOM 0 HG LEU A 62 7.482 -8.270 -1.272 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.451 -6.022 -1.018 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.020 -7.135 0.250 1.00 0.00 H new ATOM 0 HD13 LEU A 62 10.086 -6.721 -1.114 1.00 0.00 H new ATOM 0 HD21 LEU A 62 7.892 -6.870 -3.264 1.00 0.00 H new ATOM 0 HD22 LEU A 62 9.502 -7.608 -3.444 1.00 0.00 H new ATOM 0 HD23 LEU A 62 8.040 -8.604 -3.636 1.00 0.00 H new ATOM 993 N GLU A 63 9.284 -12.435 0.010 1.00 0.00 N ATOM 994 CA GLU A 63 10.056 -13.594 0.402 1.00 0.00 C ATOM 995 C GLU A 63 9.153 -14.821 0.506 1.00 0.00 C ATOM 996 O GLU A 63 9.629 -15.950 0.623 1.00 0.00 O ATOM 997 CB GLU A 63 10.734 -13.319 1.741 1.00 0.00 C ATOM 998 CG GLU A 63 12.031 -14.071 1.909 1.00 0.00 C ATOM 999 CD GLU A 63 12.637 -13.899 3.287 1.00 0.00 C ATOM 1000 OE1 GLU A 63 13.291 -12.861 3.523 1.00 0.00 O ATOM 1001 OE2 GLU A 63 12.460 -14.803 4.130 1.00 0.00 O ATOM 0 H GLU A 63 8.619 -12.118 0.716 1.00 0.00 H new ATOM 0 HA GLU A 63 10.817 -13.793 -0.352 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.926 -12.250 1.832 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.055 -13.591 2.549 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.857 -15.131 1.724 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.744 -13.729 1.159 1.00 0.00 H new ATOM 1008 N ASP A 64 7.843 -14.581 0.470 1.00 0.00 N ATOM 1009 CA ASP A 64 6.853 -15.653 0.564 1.00 0.00 C ATOM 1010 C ASP A 64 6.982 -16.643 -0.585 1.00 0.00 C ATOM 1011 O ASP A 64 6.714 -17.835 -0.428 1.00 0.00 O ATOM 1012 CB ASP A 64 5.438 -15.068 0.595 1.00 0.00 C ATOM 1013 CG ASP A 64 4.424 -16.039 1.165 1.00 0.00 C ATOM 1014 OD1 ASP A 64 4.232 -17.118 0.566 1.00 0.00 O ATOM 1015 OD2 ASP A 64 3.822 -15.722 2.213 1.00 0.00 O ATOM 0 H ASP A 64 7.441 -13.648 0.376 1.00 0.00 H new ATOM 0 HA ASP A 64 7.041 -16.193 1.492 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.438 -14.155 1.191 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.141 -14.789 -0.416 1.00 0.00 H new ATOM 1020 N ASP A 65 7.394 -16.138 -1.734 1.00 0.00 N ATOM 1021 CA ASP A 65 7.563 -16.962 -2.929 1.00 0.00 C ATOM 1022 C ASP A 65 6.269 -17.683 -3.302 1.00 0.00 C ATOM 1023 O ASP A 65 6.305 -18.747 -3.922 1.00 0.00 O ATOM 1024 CB ASP A 65 8.680 -17.985 -2.714 1.00 0.00 C ATOM 1025 CG ASP A 65 10.055 -17.352 -2.708 1.00 0.00 C ATOM 1026 OD1 ASP A 65 10.324 -16.523 -1.813 1.00 0.00 O ATOM 1027 OD2 ASP A 65 10.867 -17.687 -3.597 1.00 0.00 O ATOM 0 H ASP A 65 7.621 -15.153 -1.870 1.00 0.00 H new ATOM 0 HA ASP A 65 7.831 -16.298 -3.751 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.518 -18.501 -1.768 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.634 -18.738 -3.500 1.00 0.00 H new ATOM 1032 N SER A 66 5.126 -17.106 -2.934 1.00 0.00 N ATOM 1033 CA SER A 66 3.840 -17.723 -3.246 1.00 0.00 C ATOM 1034 C SER A 66 3.367 -17.334 -4.644 1.00 0.00 C ATOM 1035 O SER A 66 2.332 -17.808 -5.113 1.00 0.00 O ATOM 1036 CB SER A 66 2.792 -17.321 -2.210 1.00 0.00 C ATOM 1037 OG SER A 66 1.552 -17.960 -2.462 1.00 0.00 O ATOM 0 H SER A 66 5.064 -16.224 -2.426 1.00 0.00 H new ATOM 0 HA SER A 66 3.972 -18.805 -3.218 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.143 -17.584 -1.212 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.657 -16.240 -2.226 1.00 0.00 H new ATOM 0 HG SER A 66 1.134 -18.210 -1.612 1.00 0.00 H new ATOM 1043 N GLY A 67 4.132 -16.471 -5.309 1.00 0.00 N ATOM 1044 CA GLY A 67 3.773 -16.037 -6.647 1.00 0.00 C ATOM 1045 C GLY A 67 2.725 -14.940 -6.640 1.00 0.00 C ATOM 1046 O GLY A 67 3.029 -13.783 -6.919 1.00 0.00 O ATOM 0 H GLY A 67 4.994 -16.065 -4.944 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.665 -15.680 -7.161 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.398 -16.889 -7.214 1.00 0.00 H new ATOM 1050 N PHE A 68 1.485 -15.309 -6.330 1.00 0.00 N ATOM 1051 CA PHE A 68 0.387 -14.349 -6.278 1.00 0.00 C ATOM 1052 C PHE A 68 0.557 -13.426 -5.077 1.00 0.00 C ATOM 1053 O PHE A 68 0.373 -12.213 -5.178 1.00 0.00 O ATOM 1054 CB PHE A 68 -0.951 -15.098 -6.193 1.00 0.00 C ATOM 1055 CG PHE A 68 -2.193 -14.252 -6.381 1.00 0.00 C ATOM 1056 CD1 PHE A 68 -2.127 -12.910 -6.748 1.00 0.00 C ATOM 1057 CD2 PHE A 68 -3.443 -14.824 -6.193 1.00 0.00 C ATOM 1058 CE1 PHE A 68 -3.281 -12.168 -6.920 1.00 0.00 C ATOM 1059 CE2 PHE A 68 -4.597 -14.082 -6.365 1.00 0.00 C ATOM 1060 CZ PHE A 68 -4.516 -12.755 -6.729 1.00 0.00 C ATOM 0 H PHE A 68 1.215 -16.268 -6.111 1.00 0.00 H new ATOM 0 HA PHE A 68 0.395 -13.743 -7.184 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.953 -15.886 -6.946 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.011 -15.587 -5.221 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.165 -12.444 -6.900 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -3.516 -15.863 -5.908 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.216 -11.128 -7.204 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.562 -14.542 -6.214 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.417 -12.175 -6.865 1.00 0.00 H new ATOM 1070 N VAL A 69 0.916 -14.017 -3.941 1.00 0.00 N ATOM 1071 CA VAL A 69 1.117 -13.262 -2.711 1.00 0.00 C ATOM 1072 C VAL A 69 2.418 -12.461 -2.755 1.00 0.00 C ATOM 1073 O VAL A 69 2.497 -11.364 -2.202 1.00 0.00 O ATOM 1074 CB VAL A 69 1.142 -14.195 -1.483 1.00 0.00 C ATOM 1075 CG1 VAL A 69 0.981 -13.398 -0.201 1.00 0.00 C ATOM 1076 CG2 VAL A 69 0.065 -15.263 -1.594 1.00 0.00 C ATOM 0 H VAL A 69 1.074 -15.020 -3.848 1.00 0.00 H new ATOM 0 HA VAL A 69 0.277 -12.573 -2.623 1.00 0.00 H new ATOM 0 HB VAL A 69 2.111 -14.694 -1.454 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.001 -14.075 0.653 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.796 -12.680 -0.114 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.030 -12.866 -0.220 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.102 -15.909 -0.717 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.914 -14.788 -1.654 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.234 -15.859 -2.491 1.00 0.00 H new ATOM 1086 N ARG A 70 3.428 -13.009 -3.423 1.00 0.00 N ATOM 1087 CA ARG A 70 4.734 -12.357 -3.527 1.00 0.00 C ATOM 1088 C ARG A 70 4.734 -11.221 -4.552 1.00 0.00 C ATOM 1089 O ARG A 70 5.122 -10.096 -4.239 1.00 0.00 O ATOM 1090 CB ARG A 70 5.802 -13.385 -3.903 1.00 0.00 C ATOM 1091 CG ARG A 70 7.193 -12.793 -4.046 1.00 0.00 C ATOM 1092 CD ARG A 70 8.179 -13.815 -4.582 1.00 0.00 C ATOM 1093 NE ARG A 70 9.523 -13.261 -4.717 1.00 0.00 N ATOM 1094 CZ ARG A 70 10.616 -14.006 -4.846 1.00 0.00 C ATOM 1095 NH1 ARG A 70 10.526 -15.328 -4.869 1.00 0.00 N ATOM 1096 NH2 ARG A 70 11.802 -13.426 -4.956 1.00 0.00 N ATOM 0 H ARG A 70 3.369 -13.907 -3.903 1.00 0.00 H new ATOM 0 HA ARG A 70 4.958 -11.924 -2.552 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.825 -14.166 -3.143 1.00 0.00 H new ATOM 0 HB3 ARG A 70 5.521 -13.862 -4.842 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.157 -11.934 -4.716 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.536 -12.428 -3.078 1.00 0.00 H new ATOM 0 HD2 ARG A 70 8.207 -14.676 -3.914 1.00 0.00 H new ATOM 0 HD3 ARG A 70 7.836 -14.175 -5.552 1.00 0.00 H new ATOM 0 HE ARG A 70 9.629 -12.247 -4.712 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.615 -15.779 -4.788 1.00 0.00 H new ATOM 0 HH12 ARG A 70 11.368 -15.895 -4.968 1.00 0.00 H new ATOM 0 HH21 ARG A 70 11.876 -12.409 -4.942 1.00 0.00 H new ATOM 0 HH22 ARG A 70 12.642 -13.997 -5.055 1.00 0.00 H new ATOM 1110 N SER A 71 4.307 -11.526 -5.773 1.00 0.00 N ATOM 1111 CA SER A 71 4.279 -10.536 -6.850 1.00 0.00 C ATOM 1112 C SER A 71 3.574 -9.255 -6.416 1.00 0.00 C ATOM 1113 O SER A 71 4.147 -8.169 -6.502 1.00 0.00 O ATOM 1114 CB SER A 71 3.585 -11.111 -8.085 1.00 0.00 C ATOM 1115 OG SER A 71 2.231 -11.426 -7.807 1.00 0.00 O ATOM 0 H SER A 71 3.975 -12.451 -6.044 1.00 0.00 H new ATOM 0 HA SER A 71 5.312 -10.291 -7.095 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.634 -10.391 -8.902 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.110 -12.007 -8.417 1.00 0.00 H new ATOM 0 HG SER A 71 2.158 -12.373 -7.566 1.00 0.00 H new ATOM 1121 N GLY A 72 2.335 -9.392 -5.950 1.00 0.00 N ATOM 1122 CA GLY A 72 1.562 -8.240 -5.516 1.00 0.00 C ATOM 1123 C GLY A 72 2.355 -7.287 -4.643 1.00 0.00 C ATOM 1124 O GLY A 72 2.131 -6.077 -4.670 1.00 0.00 O ATOM 0 H GLY A 72 1.850 -10.285 -5.865 1.00 0.00 H new ATOM 0 HA2 GLY A 72 1.198 -7.703 -6.392 1.00 0.00 H new ATOM 0 HA3 GLY A 72 0.686 -8.584 -4.966 1.00 0.00 H new ATOM 1128 N ALA A 73 3.283 -7.834 -3.866 1.00 0.00 N ATOM 1129 CA ALA A 73 4.112 -7.027 -2.983 1.00 0.00 C ATOM 1130 C ALA A 73 5.090 -6.168 -3.778 1.00 0.00 C ATOM 1131 O ALA A 73 5.204 -4.965 -3.542 1.00 0.00 O ATOM 1132 CB ALA A 73 4.865 -7.919 -2.013 1.00 0.00 C ATOM 0 H ALA A 73 3.479 -8.834 -3.831 1.00 0.00 H new ATOM 0 HA ALA A 73 3.458 -6.360 -2.420 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.482 -7.304 -1.357 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.153 -8.487 -1.414 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.501 -8.607 -2.570 1.00 0.00 H new ATOM 1138 N ALA A 74 5.790 -6.794 -4.721 1.00 0.00 N ATOM 1139 CA ALA A 74 6.765 -6.090 -5.547 1.00 0.00 C ATOM 1140 C ALA A 74 6.132 -4.899 -6.256 1.00 0.00 C ATOM 1141 O ALA A 74 6.769 -3.861 -6.438 1.00 0.00 O ATOM 1142 CB ALA A 74 7.382 -7.041 -6.561 1.00 0.00 C ATOM 0 H ALA A 74 5.699 -7.788 -4.931 1.00 0.00 H new ATOM 0 HA ALA A 74 7.550 -5.712 -4.892 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.108 -6.502 -7.170 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.882 -7.856 -6.038 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.600 -7.447 -7.202 1.00 0.00 H new ATOM 1148 N ARG A 75 4.876 -5.057 -6.656 1.00 0.00 N ATOM 1149 CA ARG A 75 4.154 -3.993 -7.344 1.00 0.00 C ATOM 1150 C ARG A 75 3.759 -2.900 -6.360 1.00 0.00 C ATOM 1151 O ARG A 75 3.734 -1.718 -6.700 1.00 0.00 O ATOM 1152 CB ARG A 75 2.896 -4.550 -8.017 1.00 0.00 C ATOM 1153 CG ARG A 75 2.997 -6.019 -8.383 1.00 0.00 C ATOM 1154 CD ARG A 75 1.715 -6.520 -9.024 1.00 0.00 C ATOM 1155 NE ARG A 75 1.537 -5.986 -10.371 1.00 0.00 N ATOM 1156 CZ ARG A 75 1.575 -6.731 -11.471 1.00 0.00 C ATOM 1157 NH1 ARG A 75 1.776 -8.040 -11.385 1.00 0.00 N ATOM 1158 NH2 ARG A 75 1.412 -6.167 -12.660 1.00 0.00 N ATOM 0 H ARG A 75 4.336 -5.911 -6.516 1.00 0.00 H new ATOM 0 HA ARG A 75 4.811 -3.572 -8.105 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.046 -4.409 -7.350 1.00 0.00 H new ATOM 0 HB3 ARG A 75 2.692 -3.973 -8.919 1.00 0.00 H new ATOM 0 HG2 ARG A 75 3.831 -6.168 -9.069 1.00 0.00 H new ATOM 0 HG3 ARG A 75 3.211 -6.604 -7.489 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.730 -7.609 -9.064 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.864 -6.236 -8.405 1.00 0.00 H new ATOM 0 HE ARG A 75 1.374 -4.984 -10.474 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.902 -8.478 -10.472 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.804 -8.608 -12.232 1.00 0.00 H new ATOM 0 HH21 ARG A 75 1.257 -5.161 -12.731 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.441 -6.739 -13.504 1.00 0.00 H new ATOM 1172 N SER A 76 3.460 -3.312 -5.135 1.00 0.00 N ATOM 1173 CA SER A 76 3.050 -2.385 -4.088 1.00 0.00 C ATOM 1174 C SER A 76 4.141 -1.366 -3.778 1.00 0.00 C ATOM 1175 O SER A 76 3.848 -0.202 -3.501 1.00 0.00 O ATOM 1176 CB SER A 76 2.677 -3.159 -2.825 1.00 0.00 C ATOM 1177 OG SER A 76 2.386 -2.280 -1.754 1.00 0.00 O ATOM 0 H SER A 76 3.494 -4.288 -4.841 1.00 0.00 H new ATOM 0 HA SER A 76 2.180 -1.836 -4.448 1.00 0.00 H new ATOM 0 HB2 SER A 76 1.812 -3.792 -3.025 1.00 0.00 H new ATOM 0 HB3 SER A 76 3.497 -3.820 -2.544 1.00 0.00 H new ATOM 0 HG SER A 76 1.562 -2.568 -1.309 1.00 0.00 H new ATOM 1183 N LEU A 77 5.396 -1.803 -3.818 1.00 0.00 N ATOM 1184 CA LEU A 77 6.516 -0.911 -3.539 1.00 0.00 C ATOM 1185 C LEU A 77 6.546 0.255 -4.521 1.00 0.00 C ATOM 1186 O LEU A 77 6.452 1.414 -4.121 1.00 0.00 O ATOM 1187 CB LEU A 77 7.837 -1.678 -3.595 1.00 0.00 C ATOM 1188 CG LEU A 77 8.148 -2.512 -2.352 1.00 0.00 C ATOM 1189 CD1 LEU A 77 8.133 -3.995 -2.683 1.00 0.00 C ATOM 1190 CD2 LEU A 77 9.489 -2.108 -1.762 1.00 0.00 C ATOM 0 H LEU A 77 5.662 -2.763 -4.039 1.00 0.00 H new ATOM 0 HA LEU A 77 6.382 -0.509 -2.535 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.822 -2.337 -4.463 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.648 -0.966 -3.750 1.00 0.00 H new ATOM 0 HG LEU A 77 7.374 -2.322 -1.609 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.357 -4.571 -1.785 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.148 -4.274 -3.057 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.884 -4.205 -3.445 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.694 -2.712 -0.878 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.274 -2.267 -2.501 1.00 0.00 H new ATOM 0 HD23 LEU A 77 9.461 -1.055 -1.483 1.00 0.00 H new ATOM 1202 N GLU A 78 6.673 -0.055 -5.805 1.00 0.00 N ATOM 1203 CA GLU A 78 6.703 0.975 -6.841 1.00 0.00 C ATOM 1204 C GLU A 78 5.423 1.808 -6.831 1.00 0.00 C ATOM 1205 O GLU A 78 5.436 2.983 -7.200 1.00 0.00 O ATOM 1206 CB GLU A 78 6.905 0.341 -8.217 1.00 0.00 C ATOM 1207 CG GLU A 78 5.871 -0.717 -8.551 1.00 0.00 C ATOM 1208 CD GLU A 78 6.159 -1.419 -9.861 1.00 0.00 C ATOM 1209 OE1 GLU A 78 5.702 -0.925 -10.913 1.00 0.00 O ATOM 1210 OE2 GLU A 78 6.843 -2.466 -9.837 1.00 0.00 O ATOM 0 H GLU A 78 6.757 -1.009 -6.156 1.00 0.00 H new ATOM 0 HA GLU A 78 7.542 1.638 -6.628 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.873 1.122 -8.977 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.898 -0.106 -8.261 1.00 0.00 H new ATOM 0 HG2 GLU A 78 5.838 -1.453 -7.748 1.00 0.00 H new ATOM 0 HG3 GLU A 78 4.885 -0.254 -8.600 1.00 0.00 H new ATOM 1217 N GLN A 79 4.317 1.196 -6.412 1.00 0.00 N ATOM 1218 CA GLN A 79 3.036 1.894 -6.352 1.00 0.00 C ATOM 1219 C GLN A 79 3.035 2.927 -5.229 1.00 0.00 C ATOM 1220 O GLN A 79 2.467 4.009 -5.370 1.00 0.00 O ATOM 1221 CB GLN A 79 1.885 0.902 -6.143 1.00 0.00 C ATOM 1222 CG GLN A 79 1.498 0.129 -7.395 1.00 0.00 C ATOM 1223 CD GLN A 79 0.451 -0.939 -7.127 1.00 0.00 C ATOM 1224 OE1 GLN A 79 -0.380 -1.237 -7.983 1.00 0.00 O ATOM 1225 NE2 GLN A 79 0.492 -1.525 -5.936 1.00 0.00 N ATOM 0 H GLN A 79 4.283 0.222 -6.110 1.00 0.00 H new ATOM 0 HA GLN A 79 2.891 2.406 -7.303 1.00 0.00 H new ATOM 0 HB2 GLN A 79 2.167 0.194 -5.364 1.00 0.00 H new ATOM 0 HB3 GLN A 79 1.013 1.445 -5.780 1.00 0.00 H new ATOM 0 HG2 GLN A 79 1.118 0.825 -8.143 1.00 0.00 H new ATOM 0 HG3 GLN A 79 2.387 -0.338 -7.817 1.00 0.00 H new ATOM 0 HE21 GLN A 79 1.199 -1.247 -5.255 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -0.183 -2.253 -5.702 1.00 0.00 H new ATOM 1234 N ILE A 80 3.683 2.587 -4.116 1.00 0.00 N ATOM 1235 CA ILE A 80 3.751 3.484 -2.965 1.00 0.00 C ATOM 1236 C ILE A 80 4.822 4.557 -3.153 1.00 0.00 C ATOM 1237 O ILE A 80 4.517 5.750 -3.183 1.00 0.00 O ATOM 1238 CB ILE A 80 4.042 2.701 -1.667 1.00 0.00 C ATOM 1239 CG1 ILE A 80 2.869 1.778 -1.327 1.00 0.00 C ATOM 1240 CG2 ILE A 80 4.319 3.658 -0.515 1.00 0.00 C ATOM 1241 CD1 ILE A 80 3.193 0.754 -0.260 1.00 0.00 C ATOM 0 H ILE A 80 4.167 1.699 -3.987 1.00 0.00 H new ATOM 0 HA ILE A 80 2.778 3.968 -2.884 1.00 0.00 H new ATOM 0 HB ILE A 80 4.930 2.089 -1.825 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.026 2.383 -0.994 1.00 0.00 H new ATOM 0 HG13 ILE A 80 2.551 1.260 -2.232 1.00 0.00 H new ATOM 0 HG21 ILE A 80 4.522 3.087 0.391 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.184 4.276 -0.756 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.450 4.296 -0.355 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.316 0.136 -0.071 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.015 0.124 -0.598 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.482 1.265 0.659 1.00 0.00 H new ATOM 1253 N GLY A 81 6.074 4.126 -3.287 1.00 0.00 N ATOM 1254 CA GLY A 81 7.172 5.062 -3.468 1.00 0.00 C ATOM 1255 C GLY A 81 7.395 5.945 -2.252 1.00 0.00 C ATOM 1256 O GLY A 81 6.490 6.659 -1.820 1.00 0.00 O ATOM 0 H GLY A 81 6.348 3.144 -3.273 1.00 0.00 H new ATOM 0 HA2 GLY A 81 8.086 4.507 -3.682 1.00 0.00 H new ATOM 0 HA3 GLY A 81 6.970 5.690 -4.336 1.00 0.00 H new ATOM 1260 N GLY A 82 8.606 5.901 -1.704 1.00 0.00 N ATOM 1261 CA GLY A 82 8.924 6.706 -0.538 1.00 0.00 C ATOM 1262 C GLY A 82 9.897 6.016 0.400 1.00 0.00 C ATOM 1263 O GLY A 82 10.202 4.836 0.228 1.00 0.00 O ATOM 0 H GLY A 82 9.373 5.322 -2.047 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.349 7.656 -0.862 1.00 0.00 H new ATOM 0 HA3 GLY A 82 8.005 6.936 0.002 1.00 0.00 H new ATOM 1267 N GLU A 83 10.384 6.753 1.395 1.00 0.00 N ATOM 1268 CA GLU A 83 11.332 6.205 2.360 1.00 0.00 C ATOM 1269 C GLU A 83 10.715 5.059 3.157 1.00 0.00 C ATOM 1270 O GLU A 83 11.425 4.173 3.635 1.00 0.00 O ATOM 1271 CB GLU A 83 11.816 7.301 3.310 1.00 0.00 C ATOM 1272 CG GLU A 83 12.886 6.834 4.285 1.00 0.00 C ATOM 1273 CD GLU A 83 13.316 7.924 5.246 1.00 0.00 C ATOM 1274 OE1 GLU A 83 14.165 8.754 4.860 1.00 0.00 O ATOM 1275 OE2 GLU A 83 12.805 7.947 6.386 1.00 0.00 O ATOM 0 H GLU A 83 10.138 7.730 1.554 1.00 0.00 H new ATOM 0 HA GLU A 83 12.183 5.811 1.804 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.209 8.131 2.723 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.965 7.683 3.874 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.509 5.983 4.852 1.00 0.00 H new ATOM 0 HG3 GLU A 83 13.754 6.485 3.726 1.00 0.00 H new ATOM 1282 N ARG A 84 9.395 5.081 3.301 1.00 0.00 N ATOM 1283 CA ARG A 84 8.692 4.036 4.039 1.00 0.00 C ATOM 1284 C ARG A 84 8.890 2.686 3.361 1.00 0.00 C ATOM 1285 O ARG A 84 9.238 1.697 4.006 1.00 0.00 O ATOM 1286 CB ARG A 84 7.192 4.357 4.162 1.00 0.00 C ATOM 1287 CG ARG A 84 6.420 4.333 2.844 1.00 0.00 C ATOM 1288 CD ARG A 84 6.807 5.495 1.943 1.00 0.00 C ATOM 1289 NE ARG A 84 6.750 6.773 2.647 1.00 0.00 N ATOM 1290 CZ ARG A 84 6.233 7.881 2.125 1.00 0.00 C ATOM 1291 NH1 ARG A 84 5.722 7.868 0.902 1.00 0.00 N ATOM 1292 NH2 ARG A 84 6.226 9.004 2.829 1.00 0.00 N ATOM 0 H ARG A 84 8.791 5.808 2.918 1.00 0.00 H new ATOM 0 HA ARG A 84 9.111 3.992 5.044 1.00 0.00 H new ATOM 0 HB2 ARG A 84 6.737 3.641 4.846 1.00 0.00 H new ATOM 0 HB3 ARG A 84 7.082 5.343 4.613 1.00 0.00 H new ATOM 0 HG2 ARG A 84 6.612 3.393 2.327 1.00 0.00 H new ATOM 0 HG3 ARG A 84 5.350 4.372 3.048 1.00 0.00 H new ATOM 0 HD2 ARG A 84 7.815 5.337 1.559 1.00 0.00 H new ATOM 0 HD3 ARG A 84 6.139 5.525 1.082 1.00 0.00 H new ATOM 0 HE ARG A 84 7.128 6.818 3.593 1.00 0.00 H new ATOM 0 HH11 ARG A 84 5.724 7.006 0.357 1.00 0.00 H new ATOM 0 HH12 ARG A 84 5.326 8.720 0.505 1.00 0.00 H new ATOM 0 HH21 ARG A 84 6.617 9.018 3.771 1.00 0.00 H new ATOM 0 HH22 ARG A 84 5.829 9.854 2.429 1.00 0.00 H new ATOM 1306 N VAL A 85 8.663 2.658 2.054 1.00 0.00 N ATOM 1307 CA VAL A 85 8.814 1.437 1.277 1.00 0.00 C ATOM 1308 C VAL A 85 10.284 1.050 1.139 1.00 0.00 C ATOM 1309 O VAL A 85 10.607 -0.117 0.917 1.00 0.00 O ATOM 1310 CB VAL A 85 8.174 1.558 -0.124 1.00 0.00 C ATOM 1311 CG1 VAL A 85 7.037 0.559 -0.270 1.00 0.00 C ATOM 1312 CG2 VAL A 85 7.672 2.972 -0.379 1.00 0.00 C ATOM 0 H VAL A 85 8.373 3.470 1.509 1.00 0.00 H new ATOM 0 HA VAL A 85 8.289 0.654 1.824 1.00 0.00 H new ATOM 0 HB VAL A 85 8.940 1.334 -0.867 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.594 0.654 -1.261 1.00 0.00 H new ATOM 0 HG12 VAL A 85 7.422 -0.452 -0.140 1.00 0.00 H new ATOM 0 HG13 VAL A 85 6.278 0.758 0.487 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.227 3.026 -1.372 1.00 0.00 H new ATOM 0 HG22 VAL A 85 6.923 3.233 0.369 1.00 0.00 H new ATOM 0 HG23 VAL A 85 8.506 3.671 -0.316 1.00 0.00 H new ATOM 1322 N ARG A 86 11.174 2.036 1.270 1.00 0.00 N ATOM 1323 CA ARG A 86 12.610 1.780 1.167 1.00 0.00 C ATOM 1324 C ARG A 86 13.049 0.760 2.214 1.00 0.00 C ATOM 1325 O ARG A 86 14.022 0.033 2.018 1.00 0.00 O ATOM 1326 CB ARG A 86 13.412 3.077 1.327 1.00 0.00 C ATOM 1327 CG ARG A 86 13.301 4.016 0.135 1.00 0.00 C ATOM 1328 CD ARG A 86 14.211 5.226 0.286 1.00 0.00 C ATOM 1329 NE ARG A 86 14.004 6.203 -0.781 1.00 0.00 N ATOM 1330 CZ ARG A 86 14.661 7.357 -0.867 1.00 0.00 C ATOM 1331 NH1 ARG A 86 15.591 7.665 0.028 1.00 0.00 N ATOM 1332 NH2 ARG A 86 14.393 8.204 -1.853 1.00 0.00 N ATOM 0 H ARG A 86 10.928 3.010 1.446 1.00 0.00 H new ATOM 0 HA ARG A 86 12.807 1.374 0.175 1.00 0.00 H new ATOM 0 HB2 ARG A 86 13.069 3.597 2.221 1.00 0.00 H new ATOM 0 HB3 ARG A 86 14.461 2.828 1.485 1.00 0.00 H new ATOM 0 HG2 ARG A 86 13.559 3.478 -0.777 1.00 0.00 H new ATOM 0 HG3 ARG A 86 12.268 4.348 0.028 1.00 0.00 H new ATOM 0 HD2 ARG A 86 14.028 5.699 1.251 1.00 0.00 H new ATOM 0 HD3 ARG A 86 15.251 4.900 0.282 1.00 0.00 H new ATOM 0 HE ARG A 86 13.316 5.988 -1.502 1.00 0.00 H new ATOM 0 HH11 ARG A 86 15.805 7.016 0.785 1.00 0.00 H new ATOM 0 HH12 ARG A 86 16.092 8.551 -0.042 1.00 0.00 H new ATOM 0 HH21 ARG A 86 13.682 7.971 -2.547 1.00 0.00 H new ATOM 0 HH22 ARG A 86 14.898 9.088 -1.917 1.00 0.00 H new ATOM 1346 N ALA A 87 12.324 0.713 3.326 1.00 0.00 N ATOM 1347 CA ALA A 87 12.632 -0.222 4.399 1.00 0.00 C ATOM 1348 C ALA A 87 12.260 -1.636 3.984 1.00 0.00 C ATOM 1349 O ALA A 87 12.866 -2.609 4.431 1.00 0.00 O ATOM 1350 CB ALA A 87 11.894 0.168 5.672 1.00 0.00 C ATOM 0 H ALA A 87 11.519 1.312 3.507 1.00 0.00 H new ATOM 0 HA ALA A 87 13.703 -0.186 4.597 1.00 0.00 H new ATOM 0 HB1 ALA A 87 12.135 -0.541 6.464 1.00 0.00 H new ATOM 0 HB2 ALA A 87 12.198 1.169 5.976 1.00 0.00 H new ATOM 0 HB3 ALA A 87 10.820 0.155 5.488 1.00 0.00 H new ATOM 1356 N ALA A 88 11.255 -1.734 3.120 1.00 0.00 N ATOM 1357 CA ALA A 88 10.790 -3.021 2.627 1.00 0.00 C ATOM 1358 C ALA A 88 11.805 -3.634 1.671 1.00 0.00 C ATOM 1359 O ALA A 88 12.119 -4.822 1.766 1.00 0.00 O ATOM 1360 CB ALA A 88 9.440 -2.864 1.943 1.00 0.00 C ATOM 0 H ALA A 88 10.746 -0.932 2.747 1.00 0.00 H new ATOM 0 HA ALA A 88 10.676 -3.695 3.476 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.102 -3.834 1.578 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.715 -2.472 2.656 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.535 -2.174 1.105 1.00 0.00 H new ATOM 1366 N MET A 89 12.317 -2.821 0.752 1.00 0.00 N ATOM 1367 CA MET A 89 13.303 -3.292 -0.210 1.00 0.00 C ATOM 1368 C MET A 89 14.630 -3.566 0.486 1.00 0.00 C ATOM 1369 O MET A 89 15.369 -4.473 0.103 1.00 0.00 O ATOM 1370 CB MET A 89 13.484 -2.284 -1.351 1.00 0.00 C ATOM 1371 CG MET A 89 13.904 -0.893 -0.906 1.00 0.00 C ATOM 1372 SD MET A 89 15.668 -0.770 -0.554 1.00 0.00 S ATOM 1373 CE MET A 89 15.830 0.990 -0.259 1.00 0.00 C ATOM 0 H MET A 89 12.066 -1.837 0.655 1.00 0.00 H new ATOM 0 HA MET A 89 12.940 -4.224 -0.644 1.00 0.00 H new ATOM 0 HB2 MET A 89 14.231 -2.670 -2.044 1.00 0.00 H new ATOM 0 HB3 MET A 89 12.547 -2.207 -1.902 1.00 0.00 H new ATOM 0 HG2 MET A 89 13.643 -0.174 -1.683 1.00 0.00 H new ATOM 0 HG3 MET A 89 13.341 -0.617 -0.014 1.00 0.00 H new ATOM 0 HE1 MET A 89 16.834 1.314 -0.533 1.00 0.00 H new ATOM 0 HE2 MET A 89 15.098 1.529 -0.861 1.00 0.00 H new ATOM 0 HE3 MET A 89 15.657 1.199 0.797 1.00 0.00 H new ATOM 1383 N GLU A 90 14.924 -2.779 1.514 1.00 0.00 N ATOM 1384 CA GLU A 90 16.152 -2.956 2.275 1.00 0.00 C ATOM 1385 C GLU A 90 16.163 -4.329 2.929 1.00 0.00 C ATOM 1386 O GLU A 90 17.212 -4.959 3.061 1.00 0.00 O ATOM 1387 CB GLU A 90 16.287 -1.863 3.336 1.00 0.00 C ATOM 1388 CG GLU A 90 16.936 -0.590 2.818 1.00 0.00 C ATOM 1389 CD GLU A 90 18.381 -0.798 2.409 1.00 0.00 C ATOM 1390 OE1 GLU A 90 18.617 -1.225 1.260 1.00 0.00 O ATOM 1391 OE2 GLU A 90 19.277 -0.536 3.240 1.00 0.00 O ATOM 0 H GLU A 90 14.331 -2.015 1.838 1.00 0.00 H new ATOM 0 HA GLU A 90 17.000 -2.881 1.594 1.00 0.00 H new ATOM 0 HB2 GLU A 90 15.298 -1.624 3.727 1.00 0.00 H new ATOM 0 HB3 GLU A 90 16.875 -2.248 4.169 1.00 0.00 H new ATOM 0 HG2 GLU A 90 16.370 -0.220 1.963 1.00 0.00 H new ATOM 0 HG3 GLU A 90 16.887 0.178 3.590 1.00 0.00 H new ATOM 1398 N LYS A 91 14.981 -4.786 3.335 1.00 0.00 N ATOM 1399 CA LYS A 91 14.844 -6.097 3.964 1.00 0.00 C ATOM 1400 C LYS A 91 15.289 -7.208 3.015 1.00 0.00 C ATOM 1401 O LYS A 91 15.947 -8.163 3.431 1.00 0.00 O ATOM 1402 CB LYS A 91 13.395 -6.334 4.399 1.00 0.00 C ATOM 1403 CG LYS A 91 12.985 -5.530 5.624 1.00 0.00 C ATOM 1404 CD LYS A 91 13.719 -5.989 6.875 1.00 0.00 C ATOM 1405 CE LYS A 91 13.322 -7.403 7.272 1.00 0.00 C ATOM 1406 NZ LYS A 91 13.864 -7.778 8.607 1.00 0.00 N ATOM 0 H LYS A 91 14.107 -4.270 3.240 1.00 0.00 H new ATOM 0 HA LYS A 91 15.487 -6.115 4.844 1.00 0.00 H new ATOM 0 HB2 LYS A 91 12.731 -6.083 3.572 1.00 0.00 H new ATOM 0 HB3 LYS A 91 13.257 -7.395 4.608 1.00 0.00 H new ATOM 0 HG2 LYS A 91 13.189 -4.474 5.450 1.00 0.00 H new ATOM 0 HG3 LYS A 91 11.910 -5.626 5.778 1.00 0.00 H new ATOM 0 HD2 LYS A 91 14.794 -5.948 6.702 1.00 0.00 H new ATOM 0 HD3 LYS A 91 13.502 -5.306 7.696 1.00 0.00 H new ATOM 0 HE2 LYS A 91 12.235 -7.485 7.286 1.00 0.00 H new ATOM 0 HE3 LYS A 91 13.685 -8.106 6.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.571 -8.748 8.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 14.902 -7.725 8.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 13.498 -7.123 9.327 1.00 0.00 H new ATOM 1420 N LEU A 92 14.927 -7.079 1.740 1.00 0.00 N ATOM 1421 CA LEU A 92 15.295 -8.074 0.735 1.00 0.00 C ATOM 1422 C LEU A 92 16.780 -8.013 0.428 1.00 0.00 C ATOM 1423 O LEU A 92 17.419 -9.038 0.225 1.00 0.00 O ATOM 1424 CB LEU A 92 14.498 -7.866 -0.552 1.00 0.00 C ATOM 1425 CG LEU A 92 12.983 -7.850 -0.387 1.00 0.00 C ATOM 1426 CD1 LEU A 92 12.316 -7.527 -1.713 1.00 0.00 C ATOM 1427 CD2 LEU A 92 12.490 -9.188 0.149 1.00 0.00 C ATOM 0 H LEU A 92 14.380 -6.297 1.379 1.00 0.00 H new ATOM 0 HA LEU A 92 15.060 -9.057 1.144 1.00 0.00 H new ATOM 0 HB2 LEU A 92 14.807 -6.923 -1.003 1.00 0.00 H new ATOM 0 HB3 LEU A 92 14.762 -8.657 -1.254 1.00 0.00 H new ATOM 0 HG LEU A 92 12.718 -7.076 0.333 1.00 0.00 H new ATOM 0 HD11 LEU A 92 11.234 -7.518 -1.583 1.00 0.00 H new ATOM 0 HD12 LEU A 92 12.648 -6.548 -2.058 1.00 0.00 H new ATOM 0 HD13 LEU A 92 12.587 -8.283 -2.450 1.00 0.00 H new ATOM 0 HD21 LEU A 92 11.406 -9.158 0.260 1.00 0.00 H new ATOM 0 HD22 LEU A 92 12.761 -9.981 -0.547 1.00 0.00 H new ATOM 0 HD23 LEU A 92 12.949 -9.383 1.118 1.00 0.00 H new ATOM 1439 N ALA A 93 17.323 -6.806 0.385 1.00 0.00 N ATOM 1440 CA ALA A 93 18.739 -6.625 0.103 1.00 0.00 C ATOM 1441 C ALA A 93 19.607 -7.472 1.034 1.00 0.00 C ATOM 1442 O ALA A 93 20.718 -7.862 0.676 1.00 0.00 O ATOM 1443 CB ALA A 93 19.117 -5.155 0.219 1.00 0.00 C ATOM 0 H ALA A 93 16.807 -5.940 0.541 1.00 0.00 H new ATOM 0 HA ALA A 93 18.922 -6.959 -0.918 1.00 0.00 H new ATOM 0 HB1 ALA A 93 20.179 -5.034 0.005 1.00 0.00 H new ATOM 0 HB2 ALA A 93 18.535 -4.572 -0.495 1.00 0.00 H new ATOM 0 HB3 ALA A 93 18.908 -4.804 1.230 1.00 0.00 H new ATOM 1449 N GLU A 94 19.094 -7.753 2.231 1.00 0.00 N ATOM 1450 CA GLU A 94 19.830 -8.544 3.218 1.00 0.00 C ATOM 1451 C GLU A 94 19.415 -10.018 3.210 1.00 0.00 C ATOM 1452 O GLU A 94 20.071 -10.849 3.841 1.00 0.00 O ATOM 1453 CB GLU A 94 19.619 -7.966 4.619 1.00 0.00 C ATOM 1454 CG GLU A 94 20.042 -6.512 4.754 1.00 0.00 C ATOM 1455 CD GLU A 94 21.498 -6.291 4.394 1.00 0.00 C ATOM 1456 OE1 GLU A 94 22.367 -6.561 5.248 1.00 0.00 O ATOM 1457 OE2 GLU A 94 21.768 -5.848 3.258 1.00 0.00 O ATOM 0 H GLU A 94 18.172 -7.445 2.541 1.00 0.00 H new ATOM 0 HA GLU A 94 20.884 -8.493 2.945 1.00 0.00 H new ATOM 0 HB2 GLU A 94 18.565 -8.054 4.883 1.00 0.00 H new ATOM 0 HB3 GLU A 94 20.179 -8.565 5.337 1.00 0.00 H new ATOM 0 HG2 GLU A 94 19.415 -5.894 4.111 1.00 0.00 H new ATOM 0 HG3 GLU A 94 19.871 -6.182 5.779 1.00 0.00 H new ATOM 1464 N THR A 95 18.336 -10.343 2.503 1.00 0.00 N ATOM 1465 CA THR A 95 17.850 -11.724 2.461 1.00 0.00 C ATOM 1466 C THR A 95 18.144 -12.405 1.128 1.00 0.00 C ATOM 1467 O THR A 95 18.365 -13.615 1.080 1.00 0.00 O ATOM 1468 CB THR A 95 16.333 -11.788 2.725 1.00 0.00 C ATOM 1469 OG1 THR A 95 15.641 -10.948 1.796 1.00 0.00 O ATOM 1470 CG2 THR A 95 16.009 -11.355 4.146 1.00 0.00 C ATOM 0 H THR A 95 17.786 -9.680 1.957 1.00 0.00 H new ATOM 0 HA THR A 95 18.387 -12.255 3.247 1.00 0.00 H new ATOM 0 HB THR A 95 16.008 -12.820 2.596 1.00 0.00 H new ATOM 0 HG1 THR A 95 14.677 -10.994 1.968 1.00 0.00 H new ATOM 0 HG21 THR A 95 14.932 -11.409 4.306 1.00 0.00 H new ATOM 0 HG22 THR A 95 16.515 -12.014 4.851 1.00 0.00 H new ATOM 0 HG23 THR A 95 16.348 -10.330 4.300 1.00 0.00 H new ATOM 1478 N GLY A 96 18.159 -11.622 0.054 1.00 0.00 N ATOM 1479 CA GLY A 96 18.425 -12.165 -1.264 1.00 0.00 C ATOM 1480 C GLY A 96 17.529 -13.338 -1.610 1.00 0.00 C ATOM 1481 O GLY A 96 17.848 -14.484 -1.296 1.00 0.00 O ATOM 0 H GLY A 96 17.991 -10.616 0.074 1.00 0.00 H new ATOM 0 HA2 GLY A 96 18.292 -11.380 -2.009 1.00 0.00 H new ATOM 0 HA3 GLY A 96 19.467 -12.482 -1.318 1.00 0.00 H new ATOM 1485 N THR A 97 16.410 -13.052 -2.267 1.00 0.00 N ATOM 1486 CA THR A 97 15.472 -14.100 -2.654 1.00 0.00 C ATOM 1487 C THR A 97 14.899 -13.854 -4.048 1.00 0.00 C ATOM 1488 O THR A 97 14.400 -12.769 -4.344 1.00 0.00 O ATOM 1489 CB THR A 97 14.310 -14.208 -1.645 1.00 0.00 C ATOM 1490 OG1 THR A 97 14.825 -14.450 -0.330 1.00 0.00 O ATOM 1491 CG2 THR A 97 13.353 -15.326 -2.031 1.00 0.00 C ATOM 0 H THR A 97 16.131 -12.110 -2.541 1.00 0.00 H new ATOM 0 HA THR A 97 16.033 -15.035 -2.662 1.00 0.00 H new ATOM 0 HB THR A 97 13.763 -13.265 -1.656 1.00 0.00 H new ATOM 0 HG1 THR A 97 14.253 -15.099 0.131 1.00 0.00 H new ATOM 0 HG21 THR A 97 12.544 -15.380 -1.303 1.00 0.00 H new ATOM 0 HG22 THR A 97 12.939 -15.126 -3.019 1.00 0.00 H new ATOM 0 HG23 THR A 97 13.890 -16.275 -2.048 1.00 0.00 H new ATOM 1499 N GLY A 98 14.970 -14.887 -4.890 1.00 0.00 N ATOM 1500 CA GLY A 98 14.455 -14.806 -6.250 1.00 0.00 C ATOM 1501 C GLY A 98 14.708 -13.469 -6.921 1.00 0.00 C ATOM 1502 O GLY A 98 15.840 -12.986 -6.961 1.00 0.00 O ATOM 0 H GLY A 98 15.381 -15.789 -4.649 1.00 0.00 H new ATOM 0 HA2 GLY A 98 14.911 -15.595 -6.849 1.00 0.00 H new ATOM 0 HA3 GLY A 98 13.382 -14.997 -6.234 1.00 0.00 H new ATOM 1506 N PHE A 99 13.644 -12.874 -7.454 1.00 0.00 N ATOM 1507 CA PHE A 99 13.738 -11.589 -8.136 1.00 0.00 C ATOM 1508 C PHE A 99 13.463 -10.438 -7.173 1.00 0.00 C ATOM 1509 O PHE A 99 13.866 -9.307 -7.424 1.00 0.00 O ATOM 1510 CB PHE A 99 12.756 -11.537 -9.311 1.00 0.00 C ATOM 1511 CG PHE A 99 11.332 -11.238 -8.916 1.00 0.00 C ATOM 1512 CD1 PHE A 99 10.695 -11.963 -7.915 1.00 0.00 C ATOM 1513 CD2 PHE A 99 10.630 -10.227 -9.550 1.00 0.00 C ATOM 1514 CE1 PHE A 99 9.389 -11.679 -7.560 1.00 0.00 C ATOM 1515 CE2 PHE A 99 9.325 -9.941 -9.200 1.00 0.00 C ATOM 1516 CZ PHE A 99 8.704 -10.669 -8.203 1.00 0.00 C ATOM 0 H PHE A 99 12.702 -13.265 -7.426 1.00 0.00 H new ATOM 0 HA PHE A 99 14.754 -11.482 -8.517 1.00 0.00 H new ATOM 0 HB2 PHE A 99 13.092 -10.778 -10.017 1.00 0.00 H new ATOM 0 HB3 PHE A 99 12.783 -12.493 -9.834 1.00 0.00 H new ATOM 0 HD1 PHE A 99 11.226 -12.756 -7.409 1.00 0.00 H new ATOM 0 HD2 PHE A 99 11.110 -9.654 -10.329 1.00 0.00 H new ATOM 0 HE1 PHE A 99 8.905 -12.248 -6.780 1.00 0.00 H new ATOM 0 HE2 PHE A 99 8.791 -9.150 -9.705 1.00 0.00 H new ATOM 0 HZ PHE A 99 7.683 -10.447 -7.928 1.00 0.00 H new ATOM 1526 N ALA A 100 12.770 -10.737 -6.075 1.00 0.00 N ATOM 1527 CA ALA A 100 12.446 -9.725 -5.075 1.00 0.00 C ATOM 1528 C ALA A 100 13.689 -8.942 -4.682 1.00 0.00 C ATOM 1529 O ALA A 100 13.641 -7.726 -4.500 1.00 0.00 O ATOM 1530 CB ALA A 100 11.822 -10.374 -3.850 1.00 0.00 C ATOM 0 H ALA A 100 12.423 -11.671 -5.857 1.00 0.00 H new ATOM 0 HA ALA A 100 11.726 -9.031 -5.509 1.00 0.00 H new ATOM 0 HB1 ALA A 100 11.586 -9.607 -3.113 1.00 0.00 H new ATOM 0 HB2 ALA A 100 10.908 -10.893 -4.139 1.00 0.00 H new ATOM 0 HB3 ALA A 100 12.524 -11.088 -3.419 1.00 0.00 H new ATOM 1536 N ARG A 101 14.801 -9.655 -4.555 1.00 0.00 N ATOM 1537 CA ARG A 101 16.071 -9.041 -4.194 1.00 0.00 C ATOM 1538 C ARG A 101 16.442 -7.949 -5.190 1.00 0.00 C ATOM 1539 O ARG A 101 16.572 -6.780 -4.827 1.00 0.00 O ATOM 1540 CB ARG A 101 17.164 -10.105 -4.168 1.00 0.00 C ATOM 1541 CG ARG A 101 18.548 -9.555 -3.866 1.00 0.00 C ATOM 1542 CD ARG A 101 18.610 -8.931 -2.483 1.00 0.00 C ATOM 1543 NE ARG A 101 19.973 -8.555 -2.113 1.00 0.00 N ATOM 1544 CZ ARG A 101 20.694 -7.647 -2.764 1.00 0.00 C ATOM 1545 NH1 ARG A 101 20.193 -7.029 -3.826 1.00 0.00 N ATOM 1546 NH2 ARG A 101 21.922 -7.359 -2.355 1.00 0.00 N ATOM 0 H ARG A 101 14.848 -10.664 -4.698 1.00 0.00 H new ATOM 0 HA ARG A 101 15.973 -8.591 -3.206 1.00 0.00 H new ATOM 0 HB2 ARG A 101 16.910 -10.855 -3.419 1.00 0.00 H new ATOM 0 HB3 ARG A 101 17.187 -10.612 -5.132 1.00 0.00 H new ATOM 0 HG2 ARG A 101 19.283 -10.357 -3.938 1.00 0.00 H new ATOM 0 HG3 ARG A 101 18.816 -8.810 -4.615 1.00 0.00 H new ATOM 0 HD2 ARG A 101 17.970 -8.049 -2.454 1.00 0.00 H new ATOM 0 HD3 ARG A 101 18.216 -9.635 -1.750 1.00 0.00 H new ATOM 0 HE ARG A 101 20.396 -9.016 -1.308 1.00 0.00 H new ATOM 0 HH11 ARG A 101 19.250 -7.250 -4.147 1.00 0.00 H new ATOM 0 HH12 ARG A 101 20.751 -6.333 -4.321 1.00 0.00 H new ATOM 0 HH21 ARG A 101 22.313 -7.834 -1.541 1.00 0.00 H new ATOM 0 HH22 ARG A 101 22.476 -6.663 -2.854 1.00 0.00 H new ATOM 1560 N LYS A 102 16.614 -8.346 -6.449 1.00 0.00 N ATOM 1561 CA LYS A 102 16.958 -7.407 -7.509 1.00 0.00 C ATOM 1562 C LYS A 102 15.931 -6.286 -7.570 1.00 0.00 C ATOM 1563 O LYS A 102 16.269 -5.121 -7.777 1.00 0.00 O ATOM 1564 CB LYS A 102 17.011 -8.134 -8.855 1.00 0.00 C ATOM 1565 CG LYS A 102 17.121 -7.200 -10.047 1.00 0.00 C ATOM 1566 CD LYS A 102 17.045 -7.962 -11.360 1.00 0.00 C ATOM 1567 CE LYS A 102 17.041 -7.018 -12.550 1.00 0.00 C ATOM 1568 NZ LYS A 102 18.255 -6.158 -12.577 1.00 0.00 N ATOM 0 H LYS A 102 16.520 -9.313 -6.758 1.00 0.00 H new ATOM 0 HA LYS A 102 17.937 -6.979 -7.294 1.00 0.00 H new ATOM 0 HB2 LYS A 102 17.863 -8.814 -8.858 1.00 0.00 H new ATOM 0 HB3 LYS A 102 16.115 -8.745 -8.964 1.00 0.00 H new ATOM 0 HG2 LYS A 102 16.321 -6.461 -10.007 1.00 0.00 H new ATOM 0 HG3 LYS A 102 18.062 -6.653 -9.996 1.00 0.00 H new ATOM 0 HD2 LYS A 102 17.893 -8.643 -11.437 1.00 0.00 H new ATOM 0 HD3 LYS A 102 16.143 -8.573 -11.376 1.00 0.00 H new ATOM 0 HE2 LYS A 102 16.984 -7.596 -13.472 1.00 0.00 H new ATOM 0 HE3 LYS A 102 16.151 -6.390 -12.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 18.311 -5.664 -13.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 18.203 -5.459 -11.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 19.102 -6.749 -12.451 1.00 0.00 H new ATOM 1582 N VAL A 103 14.675 -6.663 -7.385 1.00 0.00 N ATOM 1583 CA VAL A 103 13.569 -5.722 -7.409 1.00 0.00 C ATOM 1584 C VAL A 103 13.720 -4.670 -6.318 1.00 0.00 C ATOM 1585 O VAL A 103 13.387 -3.505 -6.520 1.00 0.00 O ATOM 1586 CB VAL A 103 12.227 -6.461 -7.226 1.00 0.00 C ATOM 1587 CG1 VAL A 103 11.105 -5.488 -6.890 1.00 0.00 C ATOM 1588 CG2 VAL A 103 11.886 -7.257 -8.475 1.00 0.00 C ATOM 0 H VAL A 103 14.395 -7.629 -7.214 1.00 0.00 H new ATOM 0 HA VAL A 103 13.579 -5.225 -8.379 1.00 0.00 H new ATOM 0 HB VAL A 103 12.333 -7.152 -6.389 1.00 0.00 H new ATOM 0 HG11 VAL A 103 10.172 -6.037 -6.767 1.00 0.00 H new ATOM 0 HG12 VAL A 103 11.343 -4.964 -5.964 1.00 0.00 H new ATOM 0 HG13 VAL A 103 10.996 -4.765 -7.698 1.00 0.00 H new ATOM 0 HG21 VAL A 103 10.937 -7.773 -8.330 1.00 0.00 H new ATOM 0 HG22 VAL A 103 11.806 -6.581 -9.326 1.00 0.00 H new ATOM 0 HG23 VAL A 103 12.671 -7.989 -8.666 1.00 0.00 H new ATOM 1598 N ALA A 104 14.231 -5.088 -5.168 1.00 0.00 N ATOM 1599 CA ALA A 104 14.413 -4.191 -4.036 1.00 0.00 C ATOM 1600 C ALA A 104 15.409 -3.077 -4.348 1.00 0.00 C ATOM 1601 O ALA A 104 15.067 -1.895 -4.314 1.00 0.00 O ATOM 1602 CB ALA A 104 14.877 -4.983 -2.825 1.00 0.00 C ATOM 0 H ALA A 104 14.528 -6.048 -4.994 1.00 0.00 H new ATOM 0 HA ALA A 104 13.453 -3.721 -3.823 1.00 0.00 H new ATOM 0 HB1 ALA A 104 15.012 -4.309 -1.979 1.00 0.00 H new ATOM 0 HB2 ALA A 104 14.129 -5.735 -2.574 1.00 0.00 H new ATOM 0 HB3 ALA A 104 15.823 -5.474 -3.052 1.00 0.00 H new ATOM 1608 N VAL A 105 16.640 -3.468 -4.650 1.00 0.00 N ATOM 1609 CA VAL A 105 17.703 -2.517 -4.954 1.00 0.00 C ATOM 1610 C VAL A 105 17.370 -1.664 -6.177 1.00 0.00 C ATOM 1611 O VAL A 105 17.663 -0.474 -6.213 1.00 0.00 O ATOM 1612 CB VAL A 105 19.044 -3.235 -5.195 1.00 0.00 C ATOM 1613 CG1 VAL A 105 20.148 -2.232 -5.492 1.00 0.00 C ATOM 1614 CG2 VAL A 105 19.405 -4.095 -3.995 1.00 0.00 C ATOM 0 H VAL A 105 16.929 -4.445 -4.691 1.00 0.00 H new ATOM 0 HA VAL A 105 17.791 -1.866 -4.084 1.00 0.00 H new ATOM 0 HB VAL A 105 18.937 -3.883 -6.065 1.00 0.00 H new ATOM 0 HG11 VAL A 105 21.086 -2.762 -5.659 1.00 0.00 H new ATOM 0 HG12 VAL A 105 19.890 -1.661 -6.384 1.00 0.00 H new ATOM 0 HG13 VAL A 105 20.260 -1.553 -4.646 1.00 0.00 H new ATOM 0 HG21 VAL A 105 20.355 -4.597 -4.179 1.00 0.00 H new ATOM 0 HG22 VAL A 105 19.493 -3.466 -3.109 1.00 0.00 H new ATOM 0 HG23 VAL A 105 18.626 -4.841 -3.834 1.00 0.00 H new ATOM 1624 N ASN A 106 16.791 -2.287 -7.192 1.00 0.00 N ATOM 1625 CA ASN A 106 16.421 -1.577 -8.411 1.00 0.00 C ATOM 1626 C ASN A 106 15.234 -0.640 -8.185 1.00 0.00 C ATOM 1627 O ASN A 106 15.100 0.379 -8.863 1.00 0.00 O ATOM 1628 CB ASN A 106 16.087 -2.571 -9.524 1.00 0.00 C ATOM 1629 CG ASN A 106 15.491 -1.892 -10.743 1.00 0.00 C ATOM 1630 OD1 ASN A 106 14.272 -1.762 -10.862 1.00 0.00 O ATOM 1631 ND2 ASN A 106 16.349 -1.453 -11.657 1.00 0.00 N ATOM 0 H ASN A 106 16.566 -3.282 -7.198 1.00 0.00 H new ATOM 0 HA ASN A 106 17.278 -0.971 -8.707 1.00 0.00 H new ATOM 0 HB2 ASN A 106 16.992 -3.105 -9.814 1.00 0.00 H new ATOM 0 HB3 ASN A 106 15.385 -3.314 -9.146 1.00 0.00 H new ATOM 0 HD21 ASN A 106 16.005 -0.988 -12.497 1.00 0.00 H new ATOM 0 HD22 ASN A 106 17.351 -1.581 -11.519 1.00 0.00 H new ATOM 1638 N TYR A 107 14.376 -0.991 -7.232 1.00 0.00 N ATOM 1639 CA TYR A 107 13.181 -0.212 -6.949 1.00 0.00 C ATOM 1640 C TYR A 107 13.509 1.192 -6.455 1.00 0.00 C ATOM 1641 O TYR A 107 12.969 2.176 -6.959 1.00 0.00 O ATOM 1642 CB TYR A 107 12.315 -0.947 -5.926 1.00 0.00 C ATOM 1643 CG TYR A 107 11.378 -0.043 -5.169 1.00 0.00 C ATOM 1644 CD1 TYR A 107 10.449 0.751 -5.825 1.00 0.00 C ATOM 1645 CD2 TYR A 107 11.447 0.027 -3.792 1.00 0.00 C ATOM 1646 CE1 TYR A 107 9.610 1.590 -5.121 1.00 0.00 C ATOM 1647 CE2 TYR A 107 10.616 0.863 -3.077 1.00 0.00 C ATOM 1648 CZ TYR A 107 9.697 1.643 -3.746 1.00 0.00 C ATOM 1649 OH TYR A 107 8.867 2.480 -3.040 1.00 0.00 O ATOM 0 H TYR A 107 14.489 -1.815 -6.641 1.00 0.00 H new ATOM 0 HA TYR A 107 12.631 -0.101 -7.883 1.00 0.00 H new ATOM 0 HB2 TYR A 107 11.733 -1.713 -6.439 1.00 0.00 H new ATOM 0 HB3 TYR A 107 12.963 -1.461 -5.216 1.00 0.00 H new ATOM 0 HD1 TYR A 107 10.381 0.712 -6.902 1.00 0.00 H new ATOM 0 HD2 TYR A 107 12.165 -0.584 -3.265 1.00 0.00 H new ATOM 0 HE1 TYR A 107 8.889 2.202 -5.644 1.00 0.00 H new ATOM 0 HE2 TYR A 107 10.685 0.907 -2.000 1.00 0.00 H new ATOM 0 HH TYR A 107 7.934 2.231 -3.205 1.00 0.00 H new ATOM 1659 N LEU A 108 14.385 1.274 -5.458 1.00 0.00 N ATOM 1660 CA LEU A 108 14.764 2.555 -4.868 1.00 0.00 C ATOM 1661 C LEU A 108 15.218 3.568 -5.919 1.00 0.00 C ATOM 1662 O LEU A 108 15.338 4.759 -5.626 1.00 0.00 O ATOM 1663 CB LEU A 108 15.855 2.351 -3.816 1.00 0.00 C ATOM 1664 CG LEU A 108 17.046 1.502 -4.254 1.00 0.00 C ATOM 1665 CD1 LEU A 108 18.068 2.349 -4.997 1.00 0.00 C ATOM 1666 CD2 LEU A 108 17.687 0.826 -3.054 1.00 0.00 C ATOM 0 H LEU A 108 14.847 0.466 -5.040 1.00 0.00 H new ATOM 0 HA LEU A 108 13.875 2.967 -4.390 1.00 0.00 H new ATOM 0 HB2 LEU A 108 16.224 3.329 -3.507 1.00 0.00 H new ATOM 0 HB3 LEU A 108 15.405 1.888 -2.938 1.00 0.00 H new ATOM 0 HG LEU A 108 16.684 0.731 -4.934 1.00 0.00 H new ATOM 0 HD11 LEU A 108 18.908 1.724 -5.300 1.00 0.00 H new ATOM 0 HD12 LEU A 108 17.604 2.786 -5.881 1.00 0.00 H new ATOM 0 HD13 LEU A 108 18.425 3.145 -4.343 1.00 0.00 H new ATOM 0 HD21 LEU A 108 18.534 0.225 -3.384 1.00 0.00 H new ATOM 0 HD22 LEU A 108 18.032 1.584 -2.351 1.00 0.00 H new ATOM 0 HD23 LEU A 108 16.955 0.183 -2.565 1.00 0.00 H new ATOM 1678 N GLU A 109 15.471 3.100 -7.136 1.00 0.00 N ATOM 1679 CA GLU A 109 15.896 3.984 -8.215 1.00 0.00 C ATOM 1680 C GLU A 109 14.706 4.748 -8.787 1.00 0.00 C ATOM 1681 O GLU A 109 14.833 5.470 -9.777 1.00 0.00 O ATOM 1682 CB GLU A 109 16.590 3.183 -9.317 1.00 0.00 C ATOM 1683 CG GLU A 109 17.941 2.626 -8.899 1.00 0.00 C ATOM 1684 CD GLU A 109 18.944 3.717 -8.574 1.00 0.00 C ATOM 1685 OE1 GLU A 109 19.489 4.324 -9.519 1.00 0.00 O ATOM 1686 OE2 GLU A 109 19.182 3.964 -7.373 1.00 0.00 O ATOM 0 H GLU A 109 15.390 2.118 -7.400 1.00 0.00 H new ATOM 0 HA GLU A 109 16.604 4.705 -7.807 1.00 0.00 H new ATOM 0 HB2 GLU A 109 15.943 2.359 -9.619 1.00 0.00 H new ATOM 0 HB3 GLU A 109 16.723 3.821 -10.191 1.00 0.00 H new ATOM 0 HG2 GLU A 109 17.812 1.984 -8.027 1.00 0.00 H new ATOM 0 HG3 GLU A 109 18.336 2.001 -9.700 1.00 0.00 H new ATOM 1693 N THR A 110 13.549 4.584 -8.151 1.00 0.00 N ATOM 1694 CA THR A 110 12.329 5.253 -8.585 1.00 0.00 C ATOM 1695 C THR A 110 11.717 6.069 -7.450 1.00 0.00 C ATOM 1696 O THR A 110 11.547 7.281 -7.573 1.00 0.00 O ATOM 1697 CB THR A 110 11.286 4.239 -9.094 1.00 0.00 C ATOM 1698 OG1 THR A 110 11.861 3.415 -10.114 1.00 0.00 O ATOM 1699 CG2 THR A 110 10.060 4.950 -9.644 1.00 0.00 C ATOM 0 H THR A 110 13.432 3.990 -7.330 1.00 0.00 H new ATOM 0 HA THR A 110 12.605 5.921 -9.401 1.00 0.00 H new ATOM 0 HB THR A 110 10.979 3.617 -8.253 1.00 0.00 H new ATOM 0 HG1 THR A 110 11.192 2.772 -10.431 1.00 0.00 H new ATOM 0 HG21 THR A 110 9.339 4.212 -9.997 1.00 0.00 H new ATOM 0 HG22 THR A 110 9.606 5.554 -8.858 1.00 0.00 H new ATOM 0 HG23 THR A 110 10.354 5.595 -10.472 1.00 0.00 H new ATOM 1707 N HIS A 111 11.378 5.385 -6.355 1.00 0.00 N ATOM 1708 CA HIS A 111 10.783 6.021 -5.176 1.00 0.00 C ATOM 1709 C HIS A 111 9.690 7.015 -5.569 1.00 0.00 C ATOM 1710 O HIS A 111 9.755 8.179 -5.125 1.00 0.00 O ATOM 1711 CB HIS A 111 11.857 6.693 -4.299 1.00 0.00 C ATOM 1712 CG HIS A 111 12.644 7.773 -4.980 1.00 0.00 C ATOM 1713 ND1 HIS A 111 13.685 7.513 -5.848 1.00 0.00 N ATOM 1714 CD2 HIS A 111 12.540 9.122 -4.916 1.00 0.00 C ATOM 1715 CE1 HIS A 111 14.186 8.655 -6.286 1.00 0.00 C ATOM 1716 NE2 HIS A 111 13.509 9.645 -5.736 1.00 0.00 N ATOM 1717 OXT HIS A 111 8.775 6.615 -6.319 1.00 0.00 O ATOM 0 H HIS A 111 11.507 4.378 -6.260 1.00 0.00 H new ATOM 0 HA HIS A 111 10.316 5.235 -4.583 1.00 0.00 H new ATOM 0 HB2 HIS A 111 11.374 7.116 -3.419 1.00 0.00 H new ATOM 0 HB3 HIS A 111 12.548 5.928 -3.946 1.00 0.00 H new ATOM 0 HD1 HIS A 111 14.016 6.585 -6.110 1.00 0.00 H new ATOM 0 HD2 HIS A 111 11.827 9.682 -4.329 1.00 0.00 H new ATOM 0 HE1 HIS A 111 15.010 8.760 -6.977 1.00 0.00 H new