USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 572 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 87 THR OG1 : rot 71:sc= -0.0488 USER MOD Set 1.2: A 91 ASN : amide:sc= -1.65! C(o=-1.7!,f=-6.4!) USER MOD Set 2.1: A 68 GLN : amide:sc= -2.83 K(o=-4.7,f=-8.2!) USER MOD Set 2.2: A 69 ASN : amide:sc= -1.86 K(o=-4.7,f=-7.9!) USER MOD Set 3.1: A 57 TYR OH : rot 150:sc= 0 USER MOD Set 3.2: A 98 HIS : no HD1:sc= 0.126 K(o=0.13,f=-0.84) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0576 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.151 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 HIS : no HD1:sc= -4.32! C(o=-4.3!,f=-7.2!) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.00394 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl 154:sc= -0.269 (180deg=-1.06) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 CYS SG : rot -27:sc= 0.616 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl -158:sc= -0.922 (180deg=-1.9) USER MOD Single : A 79 ASN : amide:sc= -0.0291 K(o=-0.029,f=-1.1) USER MOD Single : A 80 LYS NZ :NH3+ -154:sc= -0.0329 (180deg=-0.349) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 61:sc= 1.23 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 86:sc= 0.167 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 459 N ILE A 33 66.311 37.889 -6.014 1.00 0.00 N ATOM 460 CA ILE A 33 67.528 37.930 -6.816 1.00 0.00 C ATOM 461 C ILE A 33 67.383 38.897 -7.986 1.00 0.00 C ATOM 462 O ILE A 33 68.357 39.510 -8.423 1.00 0.00 O ATOM 463 CB ILE A 33 67.890 36.535 -7.359 1.00 0.00 C ATOM 464 CG1 ILE A 33 69.271 36.564 -8.019 1.00 0.00 C ATOM 465 CG2 ILE A 33 66.835 36.061 -8.347 1.00 0.00 C ATOM 466 CD1 ILE A 33 70.090 35.319 -7.762 1.00 0.00 C ATOM 0 HA ILE A 33 68.327 38.275 -6.160 1.00 0.00 H new ATOM 0 HB ILE A 33 67.920 35.833 -6.526 1.00 0.00 H new ATOM 0 HG12 ILE A 33 69.148 36.693 -9.094 1.00 0.00 H new ATOM 0 HG13 ILE A 33 69.821 37.432 -7.655 1.00 0.00 H new ATOM 0 HG21 ILE A 33 67.105 35.074 -8.722 1.00 0.00 H new ATOM 0 HG22 ILE A 33 65.867 36.008 -7.848 1.00 0.00 H new ATOM 0 HG23 ILE A 33 66.776 36.762 -9.180 1.00 0.00 H new ATOM 0 HD11 ILE A 33 71.056 35.410 -8.260 1.00 0.00 H new ATOM 0 HD12 ILE A 33 70.244 35.200 -6.690 1.00 0.00 H new ATOM 0 HD13 ILE A 33 69.561 34.449 -8.151 1.00 0.00 H new ATOM 478 N VAL A 34 66.159 39.031 -8.488 1.00 0.00 N ATOM 479 CA VAL A 34 65.885 39.927 -9.606 1.00 0.00 C ATOM 480 C VAL A 34 64.435 40.397 -9.591 1.00 0.00 C ATOM 481 O VAL A 34 63.509 39.625 -9.342 1.00 0.00 O ATOM 482 CB VAL A 34 66.179 39.245 -10.955 1.00 0.00 C ATOM 483 CG1 VAL A 34 65.230 39.756 -12.029 1.00 0.00 C ATOM 484 CG2 VAL A 34 67.627 39.470 -11.362 1.00 0.00 C ATOM 0 H VAL A 34 65.342 38.531 -8.138 1.00 0.00 H new ATOM 0 HA VAL A 34 66.543 40.788 -9.491 1.00 0.00 H new ATOM 0 HB VAL A 34 66.020 38.173 -10.842 1.00 0.00 H new ATOM 0 HG11 VAL A 34 65.452 39.263 -12.975 1.00 0.00 H new ATOM 0 HG12 VAL A 34 64.202 39.539 -11.739 1.00 0.00 H new ATOM 0 HG13 VAL A 34 65.355 40.833 -12.143 1.00 0.00 H new ATOM 0 HG21 VAL A 34 67.817 38.981 -12.318 1.00 0.00 H new ATOM 0 HG22 VAL A 34 67.816 40.539 -11.458 1.00 0.00 H new ATOM 0 HG23 VAL A 34 68.288 39.051 -10.603 1.00 0.00 H new ATOM 494 N PRO A 35 64.231 41.694 -9.863 1.00 0.00 N ATOM 495 CA PRO A 35 62.895 42.297 -9.889 1.00 0.00 C ATOM 496 C PRO A 35 62.064 41.816 -11.073 1.00 0.00 C ATOM 497 O PRO A 35 60.909 41.423 -10.915 1.00 0.00 O ATOM 498 CB PRO A 35 63.184 43.795 -10.011 1.00 0.00 C ATOM 499 CG PRO A 35 64.523 43.870 -10.659 1.00 0.00 C ATOM 500 CD PRO A 35 65.288 42.672 -10.169 1.00 0.00 C ATOM 0 HA PRO A 35 62.311 42.032 -9.007 1.00 0.00 H new ATOM 0 HB2 PRO A 35 62.425 44.297 -10.611 1.00 0.00 H new ATOM 0 HB3 PRO A 35 63.189 44.278 -9.034 1.00 0.00 H new ATOM 0 HG2 PRO A 35 64.432 43.857 -11.745 1.00 0.00 H new ATOM 0 HG3 PRO A 35 65.034 44.795 -10.393 1.00 0.00 H new ATOM 0 HD2 PRO A 35 65.975 42.297 -10.927 1.00 0.00 H new ATOM 0 HD3 PRO A 35 65.884 42.909 -9.287 1.00 0.00 H new ATOM 508 N ALA A 36 62.660 41.849 -12.261 1.00 0.00 N ATOM 509 CA ALA A 36 61.976 41.414 -13.472 1.00 0.00 C ATOM 510 C ALA A 36 62.893 41.513 -14.686 1.00 0.00 C ATOM 511 O ALA A 36 63.346 40.499 -15.217 1.00 0.00 O ATOM 512 CB ALA A 36 60.716 42.238 -13.691 1.00 0.00 C ATOM 0 H ALA A 36 63.616 42.173 -12.410 1.00 0.00 H new ATOM 0 HA ALA A 36 61.696 40.368 -13.346 1.00 0.00 H new ATOM 0 HB1 ALA A 36 60.215 41.902 -14.599 1.00 0.00 H new ATOM 0 HB2 ALA A 36 60.047 42.113 -12.840 1.00 0.00 H new ATOM 0 HB3 ALA A 36 60.982 43.290 -13.791 1.00 0.00 H new ATOM 518 N ASP A 37 63.161 42.739 -15.121 1.00 0.00 N ATOM 519 CA ASP A 37 64.024 42.970 -16.273 1.00 0.00 C ATOM 520 C ASP A 37 65.220 43.837 -15.891 1.00 0.00 C ATOM 521 O ASP A 37 65.213 44.536 -14.878 1.00 0.00 O ATOM 522 CB ASP A 37 63.236 43.635 -17.402 1.00 0.00 C ATOM 523 CG ASP A 37 62.847 42.656 -18.492 1.00 0.00 C ATOM 524 OD1 ASP A 37 62.294 41.586 -18.159 1.00 0.00 O ATOM 525 OD2 ASP A 37 63.094 42.959 -19.678 1.00 0.00 O ATOM 0 H ASP A 37 62.793 43.588 -14.693 1.00 0.00 H new ATOM 0 HA ASP A 37 64.394 42.005 -16.618 1.00 0.00 H new ATOM 0 HB2 ASP A 37 62.336 44.094 -16.992 1.00 0.00 H new ATOM 0 HB3 ASP A 37 63.834 44.437 -17.835 1.00 0.00 H new ATOM 530 N PRO A 38 66.274 43.791 -16.720 1.00 0.00 N ATOM 531 CA PRO A 38 67.497 44.566 -16.490 1.00 0.00 C ATOM 532 C PRO A 38 67.281 46.062 -16.688 1.00 0.00 C ATOM 533 O PRO A 38 68.092 46.880 -16.252 1.00 0.00 O ATOM 534 CB PRO A 38 68.465 44.020 -17.542 1.00 0.00 C ATOM 535 CG PRO A 38 67.590 43.495 -18.627 1.00 0.00 C ATOM 536 CD PRO A 38 66.352 42.980 -17.947 1.00 0.00 C ATOM 0 HA PRO A 38 67.858 44.465 -15.466 1.00 0.00 H new ATOM 0 HB2 PRO A 38 69.129 44.801 -17.912 1.00 0.00 H new ATOM 0 HB3 PRO A 38 69.097 43.234 -17.128 1.00 0.00 H new ATOM 0 HG2 PRO A 38 67.344 44.279 -19.344 1.00 0.00 H new ATOM 0 HG3 PRO A 38 68.090 42.701 -19.182 1.00 0.00 H new ATOM 0 HD2 PRO A 38 65.468 43.109 -18.571 1.00 0.00 H new ATOM 0 HD3 PRO A 38 66.430 41.916 -17.721 1.00 0.00 H new ATOM 544 N THR A 39 66.183 46.415 -17.349 1.00 0.00 N ATOM 545 CA THR A 39 65.861 47.813 -17.606 1.00 0.00 C ATOM 546 C THR A 39 65.341 48.498 -16.348 1.00 0.00 C ATOM 547 O THR A 39 65.579 49.687 -16.132 1.00 0.00 O ATOM 548 CB THR A 39 64.810 47.951 -18.724 1.00 0.00 C ATOM 549 OG1 THR A 39 63.905 46.842 -18.685 1.00 0.00 O ATOM 550 CG2 THR A 39 65.478 48.020 -20.089 1.00 0.00 C ATOM 0 H THR A 39 65.501 45.751 -17.716 1.00 0.00 H new ATOM 0 HA THR A 39 66.785 48.297 -17.924 1.00 0.00 H new ATOM 0 HB THR A 39 64.257 48.876 -18.561 1.00 0.00 H new ATOM 0 HG1 THR A 39 63.239 46.938 -19.398 1.00 0.00 H new ATOM 0 HG21 THR A 39 64.716 48.117 -20.862 1.00 0.00 H new ATOM 0 HG22 THR A 39 66.144 48.882 -20.125 1.00 0.00 H new ATOM 0 HG23 THR A 39 66.053 47.110 -20.259 1.00 0.00 H new ATOM 558 N LEU A 40 64.631 47.741 -15.518 1.00 0.00 N ATOM 559 CA LEU A 40 64.078 48.275 -14.279 1.00 0.00 C ATOM 560 C LEU A 40 64.865 47.777 -13.071 1.00 0.00 C ATOM 561 O LEU A 40 64.303 47.175 -12.156 1.00 0.00 O ATOM 562 CB LEU A 40 62.607 47.879 -14.142 1.00 0.00 C ATOM 563 CG LEU A 40 61.755 48.013 -15.404 1.00 0.00 C ATOM 564 CD1 LEU A 40 60.348 47.493 -15.156 1.00 0.00 C ATOM 565 CD2 LEU A 40 61.716 49.461 -15.870 1.00 0.00 C ATOM 0 H LEU A 40 64.425 46.755 -15.681 1.00 0.00 H new ATOM 0 HA LEU A 40 64.154 49.362 -14.315 1.00 0.00 H new ATOM 0 HB2 LEU A 40 62.560 46.844 -13.805 1.00 0.00 H new ATOM 0 HB3 LEU A 40 62.159 48.490 -13.359 1.00 0.00 H new ATOM 0 HG LEU A 40 62.209 47.411 -16.191 1.00 0.00 H new ATOM 0 HD11 LEU A 40 59.756 47.597 -16.066 1.00 0.00 H new ATOM 0 HD12 LEU A 40 60.394 46.442 -14.870 1.00 0.00 H new ATOM 0 HD13 LEU A 40 59.884 48.067 -14.354 1.00 0.00 H new ATOM 0 HD21 LEU A 40 61.105 49.537 -16.769 1.00 0.00 H new ATOM 0 HD22 LEU A 40 61.287 50.084 -15.086 1.00 0.00 H new ATOM 0 HD23 LEU A 40 62.728 49.800 -16.089 1.00 0.00 H new ATOM 577 N TRP A 41 66.168 48.033 -13.075 1.00 0.00 N ATOM 578 CA TRP A 41 67.033 47.612 -11.978 1.00 0.00 C ATOM 579 C TRP A 41 67.373 48.789 -11.070 1.00 0.00 C ATOM 580 O TRP A 41 67.158 49.947 -11.431 1.00 0.00 O ATOM 581 CB TRP A 41 68.317 46.986 -12.525 1.00 0.00 C ATOM 582 CG TRP A 41 68.286 45.488 -12.544 1.00 0.00 C ATOM 583 CD1 TRP A 41 67.181 44.692 -12.646 1.00 0.00 C ATOM 584 CD2 TRP A 41 69.411 44.607 -12.456 1.00 0.00 C ATOM 585 NE1 TRP A 41 67.551 43.369 -12.627 1.00 0.00 N ATOM 586 CE2 TRP A 41 68.914 43.290 -12.512 1.00 0.00 C ATOM 587 CE3 TRP A 41 70.790 44.801 -12.338 1.00 0.00 C ATOM 588 CZ2 TRP A 41 69.748 42.176 -12.453 1.00 0.00 C ATOM 589 CZ3 TRP A 41 71.616 43.695 -12.278 1.00 0.00 C ATOM 590 CH2 TRP A 41 71.093 42.396 -12.337 1.00 0.00 C ATOM 0 H TRP A 41 66.649 48.530 -13.825 1.00 0.00 H new ATOM 0 HA TRP A 41 66.496 46.867 -11.390 1.00 0.00 H new ATOM 0 HB2 TRP A 41 68.488 47.352 -13.537 1.00 0.00 H new ATOM 0 HB3 TRP A 41 69.161 47.317 -11.920 1.00 0.00 H new ATOM 0 HD1 TRP A 41 66.165 45.050 -12.729 1.00 0.00 H new ATOM 0 HE1 TRP A 41 66.914 42.575 -12.689 1.00 0.00 H new ATOM 0 HE3 TRP A 41 71.203 45.798 -12.294 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 69.347 41.174 -12.497 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 72.683 43.834 -12.184 1.00 0.00 H new ATOM 0 HH2 TRP A 41 71.765 41.552 -12.290 1.00 0.00 H new ATOM 601 N THR A 42 67.905 48.487 -9.890 1.00 0.00 N ATOM 602 CA THR A 42 68.273 49.520 -8.931 1.00 0.00 C ATOM 603 C THR A 42 69.747 49.419 -8.553 1.00 0.00 C ATOM 604 O THR A 42 70.405 48.423 -8.848 1.00 0.00 O ATOM 605 CB THR A 42 67.420 49.429 -7.651 1.00 0.00 C ATOM 606 OG1 THR A 42 67.668 50.565 -6.815 1.00 0.00 O ATOM 607 CG2 THR A 42 67.728 48.152 -6.885 1.00 0.00 C ATOM 0 H THR A 42 68.091 47.535 -9.576 1.00 0.00 H new ATOM 0 HA THR A 42 68.089 50.479 -9.414 1.00 0.00 H new ATOM 0 HB THR A 42 66.369 49.415 -7.941 1.00 0.00 H new ATOM 0 HG1 THR A 42 67.121 50.500 -6.005 1.00 0.00 H new ATOM 0 HG21 THR A 42 67.114 48.110 -5.985 1.00 0.00 H new ATOM 0 HG22 THR A 42 67.510 47.289 -7.514 1.00 0.00 H new ATOM 0 HG23 THR A 42 68.782 48.140 -6.606 1.00 0.00 H new ATOM 615 N GLN A 43 70.258 50.457 -7.899 1.00 0.00 N ATOM 616 CA GLN A 43 71.654 50.485 -7.481 1.00 0.00 C ATOM 617 C GLN A 43 71.994 49.260 -6.637 1.00 0.00 C ATOM 618 O GLN A 43 73.139 48.811 -6.613 1.00 0.00 O ATOM 619 CB GLN A 43 71.948 51.761 -6.691 1.00 0.00 C ATOM 620 CG GLN A 43 71.764 53.034 -7.501 1.00 0.00 C ATOM 621 CD GLN A 43 71.441 54.235 -6.634 1.00 0.00 C ATOM 622 OE1 GLN A 43 70.315 54.734 -6.639 1.00 0.00 O ATOM 623 NE2 GLN A 43 72.430 54.707 -5.884 1.00 0.00 N ATOM 0 H GLN A 43 69.726 51.290 -7.647 1.00 0.00 H new ATOM 0 HA GLN A 43 72.275 50.471 -8.377 1.00 0.00 H new ATOM 0 HB2 GLN A 43 71.295 51.797 -5.819 1.00 0.00 H new ATOM 0 HB3 GLN A 43 72.972 51.721 -6.320 1.00 0.00 H new ATOM 0 HG2 GLN A 43 72.673 53.234 -8.068 1.00 0.00 H new ATOM 0 HG3 GLN A 43 70.962 52.887 -8.225 1.00 0.00 H new ATOM 0 HE21 GLN A 43 73.348 54.262 -5.911 1.00 0.00 H new ATOM 0 HE22 GLN A 43 72.272 55.514 -5.281 1.00 0.00 H new ATOM 632 N GLU A 44 70.991 48.726 -5.947 1.00 0.00 N ATOM 633 CA GLU A 44 71.185 47.555 -5.101 1.00 0.00 C ATOM 634 C GLU A 44 71.329 46.292 -5.946 1.00 0.00 C ATOM 635 O GLU A 44 71.980 45.329 -5.539 1.00 0.00 O ATOM 636 CB GLU A 44 70.014 47.400 -4.129 1.00 0.00 C ATOM 637 CG GLU A 44 70.413 46.820 -2.782 1.00 0.00 C ATOM 638 CD GLU A 44 70.274 47.821 -1.652 1.00 0.00 C ATOM 639 OE1 GLU A 44 70.447 49.031 -1.907 1.00 0.00 O ATOM 640 OE2 GLU A 44 69.993 47.395 -0.512 1.00 0.00 O ATOM 0 H GLU A 44 70.037 49.086 -5.957 1.00 0.00 H new ATOM 0 HA GLU A 44 72.103 47.698 -4.532 1.00 0.00 H new ATOM 0 HB2 GLU A 44 69.551 48.374 -3.973 1.00 0.00 H new ATOM 0 HB3 GLU A 44 69.259 46.758 -4.582 1.00 0.00 H new ATOM 0 HG2 GLU A 44 69.794 45.948 -2.568 1.00 0.00 H new ATOM 0 HG3 GLU A 44 71.445 46.474 -2.831 1.00 0.00 H new ATOM 647 N HIS A 45 70.715 46.303 -7.125 1.00 0.00 N ATOM 648 CA HIS A 45 70.774 45.159 -8.028 1.00 0.00 C ATOM 649 C HIS A 45 72.012 45.231 -8.917 1.00 0.00 C ATOM 650 O HIS A 45 72.537 44.206 -9.353 1.00 0.00 O ATOM 651 CB HIS A 45 69.514 45.099 -8.893 1.00 0.00 C ATOM 652 CG HIS A 45 68.312 44.581 -8.165 1.00 0.00 C ATOM 653 ND1 HIS A 45 67.149 45.308 -8.020 1.00 0.00 N ATOM 654 CD2 HIS A 45 68.096 43.400 -7.541 1.00 0.00 C ATOM 655 CE1 HIS A 45 66.271 44.596 -7.337 1.00 0.00 C ATOM 656 NE2 HIS A 45 66.820 43.434 -7.034 1.00 0.00 N ATOM 0 H HIS A 45 70.171 47.091 -7.477 1.00 0.00 H new ATOM 0 HA HIS A 45 70.834 44.254 -7.424 1.00 0.00 H new ATOM 0 HB2 HIS A 45 69.296 46.097 -9.273 1.00 0.00 H new ATOM 0 HB3 HIS A 45 69.707 44.464 -9.758 1.00 0.00 H new ATOM 0 HD2 HIS A 45 68.797 42.582 -7.457 1.00 0.00 H new ATOM 0 HE1 HIS A 45 65.273 44.911 -7.071 1.00 0.00 H new ATOM 0 HE2 HIS A 45 66.370 42.684 -6.509 1.00 0.00 H new ATOM 664 N VAL A 46 72.474 46.449 -9.181 1.00 0.00 N ATOM 665 CA VAL A 46 73.651 46.655 -10.018 1.00 0.00 C ATOM 666 C VAL A 46 74.926 46.266 -9.278 1.00 0.00 C ATOM 667 O VAL A 46 75.916 45.869 -9.893 1.00 0.00 O ATOM 668 CB VAL A 46 73.763 48.122 -10.476 1.00 0.00 C ATOM 669 CG1 VAL A 46 74.983 48.311 -11.365 1.00 0.00 C ATOM 670 CG2 VAL A 46 72.495 48.553 -11.197 1.00 0.00 C ATOM 0 H VAL A 46 72.052 47.308 -8.828 1.00 0.00 H new ATOM 0 HA VAL A 46 73.534 46.016 -10.894 1.00 0.00 H new ATOM 0 HB VAL A 46 73.884 48.752 -9.595 1.00 0.00 H new ATOM 0 HG11 VAL A 46 75.046 49.353 -11.679 1.00 0.00 H new ATOM 0 HG12 VAL A 46 75.882 48.044 -10.810 1.00 0.00 H new ATOM 0 HG13 VAL A 46 74.896 47.672 -12.244 1.00 0.00 H new ATOM 0 HG21 VAL A 46 72.592 49.592 -11.513 1.00 0.00 H new ATOM 0 HG22 VAL A 46 72.340 47.920 -12.071 1.00 0.00 H new ATOM 0 HG23 VAL A 46 71.643 48.456 -10.524 1.00 0.00 H new ATOM 680 N ARG A 47 74.894 46.382 -7.954 1.00 0.00 N ATOM 681 CA ARG A 47 76.048 46.043 -7.130 1.00 0.00 C ATOM 682 C ARG A 47 76.002 44.578 -6.707 1.00 0.00 C ATOM 683 O ARG A 47 76.970 43.840 -6.886 1.00 0.00 O ATOM 684 CB ARG A 47 76.099 46.941 -5.893 1.00 0.00 C ATOM 685 CG ARG A 47 77.503 47.149 -5.349 1.00 0.00 C ATOM 686 CD ARG A 47 77.507 47.218 -3.830 1.00 0.00 C ATOM 687 NE ARG A 47 78.863 47.265 -3.287 1.00 0.00 N ATOM 688 CZ ARG A 47 79.134 47.465 -2.003 1.00 0.00 C ATOM 689 NH1 ARG A 47 78.148 47.636 -1.133 1.00 0.00 N ATOM 690 NH2 ARG A 47 80.393 47.495 -1.586 1.00 0.00 N ATOM 0 H ARG A 47 74.082 46.708 -7.430 1.00 0.00 H new ATOM 0 HA ARG A 47 76.947 46.203 -7.724 1.00 0.00 H new ATOM 0 HB2 ARG A 47 75.667 47.911 -6.140 1.00 0.00 H new ATOM 0 HB3 ARG A 47 75.477 46.505 -5.112 1.00 0.00 H new ATOM 0 HG2 ARG A 47 78.147 46.334 -5.679 1.00 0.00 H new ATOM 0 HG3 ARG A 47 77.920 48.070 -5.757 1.00 0.00 H new ATOM 0 HD2 ARG A 47 76.956 48.101 -3.506 1.00 0.00 H new ATOM 0 HD3 ARG A 47 76.985 46.350 -3.426 1.00 0.00 H new ATOM 0 HE ARG A 47 79.644 47.137 -3.930 1.00 0.00 H new ATOM 0 HH11 ARG A 47 77.179 47.614 -1.450 1.00 0.00 H new ATOM 0 HH12 ARG A 47 78.359 47.789 -0.147 1.00 0.00 H new ATOM 0 HH21 ARG A 47 81.154 47.364 -2.252 1.00 0.00 H new ATOM 0 HH22 ARG A 47 80.600 47.649 -0.599 1.00 0.00 H new ATOM 704 N GLN A 48 74.871 44.165 -6.144 1.00 0.00 N ATOM 705 CA GLN A 48 74.700 42.789 -5.694 1.00 0.00 C ATOM 706 C GLN A 48 74.999 41.807 -6.821 1.00 0.00 C ATOM 707 O GLN A 48 75.734 40.837 -6.634 1.00 0.00 O ATOM 708 CB GLN A 48 73.277 42.573 -5.176 1.00 0.00 C ATOM 709 CG GLN A 48 73.071 43.045 -3.746 1.00 0.00 C ATOM 710 CD GLN A 48 72.410 41.995 -2.875 1.00 0.00 C ATOM 711 OE1 GLN A 48 71.265 41.608 -3.110 1.00 0.00 O ATOM 712 NE2 GLN A 48 73.129 41.528 -1.861 1.00 0.00 N ATOM 0 H GLN A 48 74.060 44.764 -5.989 1.00 0.00 H new ATOM 0 HA GLN A 48 75.405 42.608 -4.883 1.00 0.00 H new ATOM 0 HB2 GLN A 48 72.579 43.099 -5.827 1.00 0.00 H new ATOM 0 HB3 GLN A 48 73.034 41.512 -5.238 1.00 0.00 H new ATOM 0 HG2 GLN A 48 74.035 43.316 -3.314 1.00 0.00 H new ATOM 0 HG3 GLN A 48 72.459 43.947 -3.750 1.00 0.00 H new ATOM 0 HE21 GLN A 48 74.074 41.877 -1.703 1.00 0.00 H new ATOM 0 HE22 GLN A 48 72.736 40.820 -1.240 1.00 0.00 H new ATOM 721 N TRP A 49 74.424 42.063 -7.990 1.00 0.00 N ATOM 722 CA TRP A 49 74.629 41.201 -9.148 1.00 0.00 C ATOM 723 C TRP A 49 76.115 41.014 -9.432 1.00 0.00 C ATOM 724 O TRP A 49 76.580 39.894 -9.650 1.00 0.00 O ATOM 725 CB TRP A 49 73.932 41.788 -10.377 1.00 0.00 C ATOM 726 CG TRP A 49 74.240 41.049 -11.644 1.00 0.00 C ATOM 727 CD1 TRP A 49 73.868 39.774 -11.961 1.00 0.00 C ATOM 728 CD2 TRP A 49 74.986 41.541 -12.763 1.00 0.00 C ATOM 729 NE1 TRP A 49 74.338 39.443 -13.209 1.00 0.00 N ATOM 730 CE2 TRP A 49 75.026 40.510 -13.723 1.00 0.00 C ATOM 731 CE3 TRP A 49 75.622 42.751 -13.049 1.00 0.00 C ATOM 732 CZ2 TRP A 49 75.677 40.655 -14.944 1.00 0.00 C ATOM 733 CZ3 TRP A 49 76.269 42.894 -14.262 1.00 0.00 C ATOM 734 CH2 TRP A 49 76.292 41.852 -15.198 1.00 0.00 C ATOM 0 H TRP A 49 73.812 42.861 -8.161 1.00 0.00 H new ATOM 0 HA TRP A 49 74.196 40.226 -8.924 1.00 0.00 H new ATOM 0 HB2 TRP A 49 72.854 41.780 -10.213 1.00 0.00 H new ATOM 0 HB3 TRP A 49 74.229 42.830 -10.491 1.00 0.00 H new ATOM 0 HD1 TRP A 49 73.289 39.121 -11.324 1.00 0.00 H new ATOM 0 HE1 TRP A 49 74.197 38.548 -13.677 1.00 0.00 H new ATOM 0 HE3 TRP A 49 75.609 43.561 -12.335 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 75.697 39.852 -15.666 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 76.765 43.825 -14.492 1.00 0.00 H new ATOM 0 HH2 TRP A 49 76.804 41.995 -16.138 1.00 0.00 H new ATOM 745 N LEU A 50 76.857 42.116 -9.428 1.00 0.00 N ATOM 746 CA LEU A 50 78.292 42.073 -9.685 1.00 0.00 C ATOM 747 C LEU A 50 79.008 41.229 -8.636 1.00 0.00 C ATOM 748 O LEU A 50 79.661 40.239 -8.963 1.00 0.00 O ATOM 749 CB LEU A 50 78.870 43.490 -9.698 1.00 0.00 C ATOM 750 CG LEU A 50 80.063 43.719 -10.626 1.00 0.00 C ATOM 751 CD1 LEU A 50 79.589 44.018 -12.040 1.00 0.00 C ATOM 752 CD2 LEU A 50 80.936 44.851 -10.104 1.00 0.00 C ATOM 0 H LEU A 50 76.488 43.050 -9.250 1.00 0.00 H new ATOM 0 HA LEU A 50 78.448 41.614 -10.661 1.00 0.00 H new ATOM 0 HB2 LEU A 50 78.077 44.182 -9.981 1.00 0.00 H new ATOM 0 HB3 LEU A 50 79.170 43.748 -8.682 1.00 0.00 H new ATOM 0 HG LEU A 50 80.661 42.808 -10.650 1.00 0.00 H new ATOM 0 HD11 LEU A 50 80.452 44.178 -12.687 1.00 0.00 H new ATOM 0 HD12 LEU A 50 79.006 43.176 -12.414 1.00 0.00 H new ATOM 0 HD13 LEU A 50 78.969 44.914 -12.034 1.00 0.00 H new ATOM 0 HD21 LEU A 50 81.780 45.000 -10.777 1.00 0.00 H new ATOM 0 HD22 LEU A 50 80.349 45.768 -10.050 1.00 0.00 H new ATOM 0 HD23 LEU A 50 81.305 44.597 -9.110 1.00 0.00 H new ATOM 764 N GLU A 51 78.879 41.628 -7.374 1.00 0.00 N ATOM 765 CA GLU A 51 79.513 40.906 -6.277 1.00 0.00 C ATOM 766 C GLU A 51 79.128 39.429 -6.303 1.00 0.00 C ATOM 767 O GLU A 51 79.917 38.565 -5.920 1.00 0.00 O ATOM 768 CB GLU A 51 79.116 41.524 -4.934 1.00 0.00 C ATOM 769 CG GLU A 51 79.936 42.748 -4.562 1.00 0.00 C ATOM 770 CD GLU A 51 79.822 43.101 -3.092 1.00 0.00 C ATOM 771 OE1 GLU A 51 78.711 42.978 -2.536 1.00 0.00 O ATOM 772 OE2 GLU A 51 80.846 43.500 -2.498 1.00 0.00 O ATOM 0 H GLU A 51 78.342 42.446 -7.087 1.00 0.00 H new ATOM 0 HA GLU A 51 80.593 40.984 -6.400 1.00 0.00 H new ATOM 0 HB2 GLU A 51 78.062 41.800 -4.968 1.00 0.00 H new ATOM 0 HB3 GLU A 51 79.224 40.773 -4.152 1.00 0.00 H new ATOM 0 HG2 GLU A 51 80.982 42.568 -4.809 1.00 0.00 H new ATOM 0 HG3 GLU A 51 79.608 43.597 -5.162 1.00 0.00 H new ATOM 779 N TRP A 52 77.912 39.149 -6.757 1.00 0.00 N ATOM 780 CA TRP A 52 77.422 37.777 -6.832 1.00 0.00 C ATOM 781 C TRP A 52 78.096 37.020 -7.971 1.00 0.00 C ATOM 782 O TRP A 52 78.579 35.904 -7.787 1.00 0.00 O ATOM 783 CB TRP A 52 75.905 37.766 -7.023 1.00 0.00 C ATOM 784 CG TRP A 52 75.339 36.390 -7.206 1.00 0.00 C ATOM 785 CD1 TRP A 52 74.940 35.530 -6.223 1.00 0.00 C ATOM 786 CD2 TRP A 52 75.113 35.714 -8.448 1.00 0.00 C ATOM 787 NE1 TRP A 52 74.479 34.361 -6.778 1.00 0.00 N ATOM 788 CE2 TRP A 52 74.573 34.449 -8.142 1.00 0.00 C ATOM 789 CE3 TRP A 52 75.311 36.056 -9.788 1.00 0.00 C ATOM 790 CZ2 TRP A 52 74.232 33.528 -9.128 1.00 0.00 C ATOM 791 CZ3 TRP A 52 74.972 35.139 -10.766 1.00 0.00 C ATOM 792 CH2 TRP A 52 74.437 33.888 -10.432 1.00 0.00 C ATOM 0 H TRP A 52 77.247 39.853 -7.079 1.00 0.00 H new ATOM 0 HA TRP A 52 77.667 37.278 -5.894 1.00 0.00 H new ATOM 0 HB2 TRP A 52 75.434 38.233 -6.158 1.00 0.00 H new ATOM 0 HB3 TRP A 52 75.651 38.374 -7.891 1.00 0.00 H new ATOM 0 HD1 TRP A 52 74.981 35.738 -5.164 1.00 0.00 H new ATOM 0 HE1 TRP A 52 74.124 33.558 -6.259 1.00 0.00 H new ATOM 0 HE3 TRP A 52 75.721 37.019 -10.055 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 73.820 32.563 -8.873 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 75.122 35.392 -11.805 1.00 0.00 H new ATOM 0 HH2 TRP A 52 74.181 33.194 -11.219 1.00 0.00 H new ATOM 803 N ALA A 53 78.125 37.635 -9.149 1.00 0.00 N ATOM 804 CA ALA A 53 78.742 37.020 -10.318 1.00 0.00 C ATOM 805 C ALA A 53 80.230 36.775 -10.088 1.00 0.00 C ATOM 806 O ALA A 53 80.730 35.674 -10.319 1.00 0.00 O ATOM 807 CB ALA A 53 78.533 37.892 -11.546 1.00 0.00 C ATOM 0 H ALA A 53 77.728 38.559 -9.319 1.00 0.00 H new ATOM 0 HA ALA A 53 78.263 36.055 -10.486 1.00 0.00 H new ATOM 0 HB1 ALA A 53 78.999 37.420 -12.411 1.00 0.00 H new ATOM 0 HB2 ALA A 53 77.465 38.012 -11.730 1.00 0.00 H new ATOM 0 HB3 ALA A 53 78.985 38.870 -11.379 1.00 0.00 H new ATOM 813 N ILE A 54 80.931 37.808 -9.633 1.00 0.00 N ATOM 814 CA ILE A 54 82.361 37.703 -9.371 1.00 0.00 C ATOM 815 C ILE A 54 82.660 36.573 -8.392 1.00 0.00 C ATOM 816 O ILE A 54 83.755 36.010 -8.392 1.00 0.00 O ATOM 817 CB ILE A 54 82.928 39.019 -8.807 1.00 0.00 C ATOM 818 CG1 ILE A 54 82.671 40.170 -9.782 1.00 0.00 C ATOM 819 CG2 ILE A 54 84.417 38.878 -8.527 1.00 0.00 C ATOM 820 CD1 ILE A 54 82.824 41.539 -9.156 1.00 0.00 C ATOM 0 H ILE A 54 80.532 38.726 -9.438 1.00 0.00 H new ATOM 0 HA ILE A 54 82.841 37.489 -10.326 1.00 0.00 H new ATOM 0 HB ILE A 54 82.421 39.242 -7.868 1.00 0.00 H new ATOM 0 HG12 ILE A 54 83.360 40.085 -10.622 1.00 0.00 H new ATOM 0 HG13 ILE A 54 81.663 40.075 -10.186 1.00 0.00 H new ATOM 0 HG21 ILE A 54 84.803 39.816 -8.129 1.00 0.00 H new ATOM 0 HG22 ILE A 54 84.577 38.082 -7.799 1.00 0.00 H new ATOM 0 HG23 ILE A 54 84.940 38.634 -9.452 1.00 0.00 H new ATOM 0 HD11 ILE A 54 82.627 42.306 -9.905 1.00 0.00 H new ATOM 0 HD12 ILE A 54 82.116 41.644 -8.334 1.00 0.00 H new ATOM 0 HD13 ILE A 54 83.839 41.654 -8.777 1.00 0.00 H new ATOM 832 N LYS A 55 81.679 36.244 -7.559 1.00 0.00 N ATOM 833 CA LYS A 55 81.834 35.179 -6.576 1.00 0.00 C ATOM 834 C LYS A 55 81.479 33.824 -7.181 1.00 0.00 C ATOM 835 O LYS A 55 82.322 32.933 -7.265 1.00 0.00 O ATOM 836 CB LYS A 55 80.952 35.451 -5.355 1.00 0.00 C ATOM 837 CG LYS A 55 81.720 35.984 -4.157 1.00 0.00 C ATOM 838 CD LYS A 55 81.053 35.592 -2.849 1.00 0.00 C ATOM 839 CE LYS A 55 81.188 34.101 -2.580 1.00 0.00 C ATOM 840 NZ LYS A 55 79.970 33.542 -1.931 1.00 0.00 N ATOM 0 H LYS A 55 80.767 36.700 -7.545 1.00 0.00 H new ATOM 0 HA LYS A 55 82.878 35.156 -6.264 1.00 0.00 H new ATOM 0 HB2 LYS A 55 80.178 36.168 -5.629 1.00 0.00 H new ATOM 0 HB3 LYS A 55 80.445 34.529 -5.070 1.00 0.00 H new ATOM 0 HG2 LYS A 55 82.740 35.599 -4.176 1.00 0.00 H new ATOM 0 HG3 LYS A 55 81.788 37.070 -4.221 1.00 0.00 H new ATOM 0 HD2 LYS A 55 81.501 36.153 -2.029 1.00 0.00 H new ATOM 0 HD3 LYS A 55 79.998 35.863 -2.882 1.00 0.00 H new ATOM 0 HE2 LYS A 55 81.372 33.578 -3.518 1.00 0.00 H new ATOM 0 HE3 LYS A 55 82.053 33.924 -1.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 80.102 32.524 -1.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 79.808 34.023 -1.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 79.148 33.688 -2.551 1.00 0.00 H new ATOM 854 N GLU A 56 80.226 33.679 -7.601 1.00 0.00 N ATOM 855 CA GLU A 56 79.761 32.433 -8.198 1.00 0.00 C ATOM 856 C GLU A 56 80.657 32.021 -9.363 1.00 0.00 C ATOM 857 O GLU A 56 81.330 30.991 -9.307 1.00 0.00 O ATOM 858 CB GLU A 56 78.316 32.581 -8.680 1.00 0.00 C ATOM 859 CG GLU A 56 77.697 31.277 -9.155 1.00 0.00 C ATOM 860 CD GLU A 56 77.873 30.149 -8.157 1.00 0.00 C ATOM 861 OE1 GLU A 56 77.428 30.307 -7.000 1.00 0.00 O ATOM 862 OE2 GLU A 56 78.455 29.110 -8.531 1.00 0.00 O ATOM 0 H GLU A 56 79.516 34.408 -7.539 1.00 0.00 H new ATOM 0 HA GLU A 56 79.805 31.656 -7.435 1.00 0.00 H new ATOM 0 HB2 GLU A 56 77.711 32.987 -7.869 1.00 0.00 H new ATOM 0 HB3 GLU A 56 78.286 33.306 -9.494 1.00 0.00 H new ATOM 0 HG2 GLU A 56 76.634 31.430 -9.340 1.00 0.00 H new ATOM 0 HG3 GLU A 56 78.148 30.990 -10.105 1.00 0.00 H new ATOM 869 N TYR A 57 80.659 32.830 -10.416 1.00 0.00 N ATOM 870 CA TYR A 57 81.469 32.549 -11.595 1.00 0.00 C ATOM 871 C TYR A 57 82.954 32.541 -11.246 1.00 0.00 C ATOM 872 O TYR A 57 83.755 31.883 -11.909 1.00 0.00 O ATOM 873 CB TYR A 57 81.195 33.585 -12.686 1.00 0.00 C ATOM 874 CG TYR A 57 79.824 33.459 -13.310 1.00 0.00 C ATOM 875 CD1 TYR A 57 79.604 32.605 -14.384 1.00 0.00 C ATOM 876 CD2 TYR A 57 78.749 34.195 -12.828 1.00 0.00 C ATOM 877 CE1 TYR A 57 78.352 32.488 -14.958 1.00 0.00 C ATOM 878 CE2 TYR A 57 77.494 34.083 -13.394 1.00 0.00 C ATOM 879 CZ TYR A 57 77.301 33.228 -14.459 1.00 0.00 C ATOM 880 OH TYR A 57 76.053 33.114 -15.028 1.00 0.00 O ATOM 0 H TYR A 57 80.108 33.686 -10.477 1.00 0.00 H new ATOM 0 HA TYR A 57 81.196 31.561 -11.965 1.00 0.00 H new ATOM 0 HB2 TYR A 57 81.302 34.584 -12.262 1.00 0.00 H new ATOM 0 HB3 TYR A 57 81.950 33.487 -13.466 1.00 0.00 H new ATOM 0 HD1 TYR A 57 80.425 32.023 -14.777 1.00 0.00 H new ATOM 0 HD2 TYR A 57 78.897 34.867 -11.996 1.00 0.00 H new ATOM 0 HE1 TYR A 57 78.198 31.821 -15.793 1.00 0.00 H new ATOM 0 HE2 TYR A 57 76.669 34.661 -13.005 1.00 0.00 H new ATOM 0 HH TYR A 57 75.367 33.278 -14.348 1.00 0.00 H new ATOM 890 N SER A 58 83.313 33.278 -10.200 1.00 0.00 N ATOM 891 CA SER A 58 84.702 33.360 -9.763 1.00 0.00 C ATOM 892 C SER A 58 85.575 33.992 -10.843 1.00 0.00 C ATOM 893 O SER A 58 86.579 33.415 -11.263 1.00 0.00 O ATOM 894 CB SER A 58 85.232 31.968 -9.413 1.00 0.00 C ATOM 895 OG SER A 58 86.336 32.049 -8.529 1.00 0.00 O ATOM 0 H SER A 58 82.661 33.827 -9.639 1.00 0.00 H new ATOM 0 HA SER A 58 84.741 33.990 -8.874 1.00 0.00 H new ATOM 0 HB2 SER A 58 84.438 31.378 -8.955 1.00 0.00 H new ATOM 0 HB3 SER A 58 85.529 31.449 -10.324 1.00 0.00 H new ATOM 0 HG SER A 58 86.655 31.146 -8.320 1.00 0.00 H new ATOM 901 N LEU A 59 85.185 35.181 -11.289 1.00 0.00 N ATOM 902 CA LEU A 59 85.931 35.894 -12.320 1.00 0.00 C ATOM 903 C LEU A 59 87.249 36.427 -11.769 1.00 0.00 C ATOM 904 O LEU A 59 87.634 36.113 -10.643 1.00 0.00 O ATOM 905 CB LEU A 59 85.094 37.047 -12.878 1.00 0.00 C ATOM 906 CG LEU A 59 83.666 36.698 -13.297 1.00 0.00 C ATOM 907 CD1 LEU A 59 82.842 37.962 -13.488 1.00 0.00 C ATOM 908 CD2 LEU A 59 83.672 35.866 -14.571 1.00 0.00 C ATOM 0 H LEU A 59 84.356 35.672 -10.953 1.00 0.00 H new ATOM 0 HA LEU A 59 86.153 35.192 -13.124 1.00 0.00 H new ATOM 0 HB2 LEU A 59 85.048 37.834 -12.125 1.00 0.00 H new ATOM 0 HB3 LEU A 59 85.614 37.462 -13.742 1.00 0.00 H new ATOM 0 HG LEU A 59 83.209 36.107 -12.503 1.00 0.00 H new ATOM 0 HD11 LEU A 59 81.828 37.694 -13.786 1.00 0.00 H new ATOM 0 HD12 LEU A 59 82.809 38.520 -12.552 1.00 0.00 H new ATOM 0 HD13 LEU A 59 83.297 38.579 -14.263 1.00 0.00 H new ATOM 0 HD21 LEU A 59 82.647 35.627 -14.854 1.00 0.00 H new ATOM 0 HD22 LEU A 59 84.147 36.431 -15.373 1.00 0.00 H new ATOM 0 HD23 LEU A 59 84.226 34.943 -14.400 1.00 0.00 H new ATOM 920 N MET A 60 87.935 37.237 -12.569 1.00 0.00 N ATOM 921 CA MET A 60 89.208 37.817 -12.159 1.00 0.00 C ATOM 922 C MET A 60 89.514 39.079 -12.959 1.00 0.00 C ATOM 923 O MET A 60 89.357 39.104 -14.180 1.00 0.00 O ATOM 924 CB MET A 60 90.338 36.800 -12.339 1.00 0.00 C ATOM 925 CG MET A 60 90.318 36.102 -13.689 1.00 0.00 C ATOM 926 SD MET A 60 91.649 34.899 -13.868 1.00 0.00 S ATOM 927 CE MET A 60 91.173 34.092 -15.395 1.00 0.00 C ATOM 0 H MET A 60 87.630 37.506 -13.504 1.00 0.00 H new ATOM 0 HA MET A 60 89.133 38.085 -11.105 1.00 0.00 H new ATOM 0 HB2 MET A 60 91.295 37.307 -12.215 1.00 0.00 H new ATOM 0 HB3 MET A 60 90.270 36.050 -11.551 1.00 0.00 H new ATOM 0 HG2 MET A 60 89.359 35.600 -13.820 1.00 0.00 H new ATOM 0 HG3 MET A 60 90.398 36.847 -14.480 1.00 0.00 H new ATOM 0 HE1 MET A 60 91.901 33.319 -15.640 1.00 0.00 H new ATOM 0 HE2 MET A 60 90.189 33.639 -15.276 1.00 0.00 H new ATOM 0 HE3 MET A 60 91.139 34.827 -16.199 1.00 0.00 H new ATOM 937 N GLU A 61 89.949 40.125 -12.264 1.00 0.00 N ATOM 938 CA GLU A 61 90.274 41.390 -12.911 1.00 0.00 C ATOM 939 C GLU A 61 89.037 42.003 -13.561 1.00 0.00 C ATOM 940 O GLU A 61 88.786 41.805 -14.750 1.00 0.00 O ATOM 941 CB GLU A 61 91.367 41.185 -13.962 1.00 0.00 C ATOM 942 CG GLU A 61 92.529 40.336 -13.474 1.00 0.00 C ATOM 943 CD GLU A 61 93.742 40.431 -14.378 1.00 0.00 C ATOM 944 OE1 GLU A 61 94.107 41.562 -14.762 1.00 0.00 O ATOM 945 OE2 GLU A 61 94.326 39.376 -14.703 1.00 0.00 O ATOM 0 H GLU A 61 90.084 40.121 -11.253 1.00 0.00 H new ATOM 0 HA GLU A 61 90.639 42.076 -12.146 1.00 0.00 H new ATOM 0 HB2 GLU A 61 90.929 40.715 -14.842 1.00 0.00 H new ATOM 0 HB3 GLU A 61 91.745 42.158 -14.275 1.00 0.00 H new ATOM 0 HG2 GLU A 61 92.805 40.650 -12.467 1.00 0.00 H new ATOM 0 HG3 GLU A 61 92.211 39.296 -13.408 1.00 0.00 H new ATOM 952 N ILE A 62 88.269 42.747 -12.772 1.00 0.00 N ATOM 953 CA ILE A 62 87.059 43.389 -13.271 1.00 0.00 C ATOM 954 C ILE A 62 86.817 44.723 -12.573 1.00 0.00 C ATOM 955 O ILE A 62 87.018 44.849 -11.365 1.00 0.00 O ATOM 956 CB ILE A 62 85.824 42.489 -13.076 1.00 0.00 C ATOM 957 CG1 ILE A 62 84.616 43.079 -13.808 1.00 0.00 C ATOM 958 CG2 ILE A 62 85.521 42.319 -11.595 1.00 0.00 C ATOM 959 CD1 ILE A 62 83.479 42.098 -13.986 1.00 0.00 C ATOM 0 H ILE A 62 88.463 42.920 -11.786 1.00 0.00 H new ATOM 0 HA ILE A 62 87.209 43.561 -14.337 1.00 0.00 H new ATOM 0 HB ILE A 62 86.038 41.507 -13.498 1.00 0.00 H new ATOM 0 HG12 ILE A 62 84.254 43.946 -13.255 1.00 0.00 H new ATOM 0 HG13 ILE A 62 84.934 43.436 -14.788 1.00 0.00 H new ATOM 0 HG21 ILE A 62 84.646 41.681 -11.474 1.00 0.00 H new ATOM 0 HG22 ILE A 62 86.376 41.860 -11.099 1.00 0.00 H new ATOM 0 HG23 ILE A 62 85.323 43.294 -11.150 1.00 0.00 H new ATOM 0 HD11 ILE A 62 82.658 42.585 -14.512 1.00 0.00 H new ATOM 0 HD12 ILE A 62 83.824 41.242 -14.565 1.00 0.00 H new ATOM 0 HD13 ILE A 62 83.134 41.760 -13.009 1.00 0.00 H new ATOM 971 N ASP A 63 86.383 45.716 -13.342 1.00 0.00 N ATOM 972 CA ASP A 63 86.111 47.041 -12.797 1.00 0.00 C ATOM 973 C ASP A 63 84.878 47.016 -11.899 1.00 0.00 C ATOM 974 O ASP A 63 83.849 46.440 -12.253 1.00 0.00 O ATOM 975 CB ASP A 63 85.912 48.050 -13.930 1.00 0.00 C ATOM 976 CG ASP A 63 86.532 49.398 -13.620 1.00 0.00 C ATOM 977 OD1 ASP A 63 86.872 49.637 -12.442 1.00 0.00 O ATOM 978 OD2 ASP A 63 86.677 50.213 -14.554 1.00 0.00 O ATOM 0 H ASP A 63 86.212 45.628 -14.344 1.00 0.00 H new ATOM 0 HA ASP A 63 86.969 47.344 -12.197 1.00 0.00 H new ATOM 0 HB2 ASP A 63 86.350 47.654 -14.846 1.00 0.00 H new ATOM 0 HB3 ASP A 63 84.846 48.178 -14.116 1.00 0.00 H new ATOM 983 N THR A 64 84.989 47.644 -10.732 1.00 0.00 N ATOM 984 CA THR A 64 83.886 47.692 -9.782 1.00 0.00 C ATOM 985 C THR A 64 83.350 49.112 -9.633 1.00 0.00 C ATOM 986 O THR A 64 82.166 49.313 -9.362 1.00 0.00 O ATOM 987 CB THR A 64 84.313 47.170 -8.397 1.00 0.00 C ATOM 988 OG1 THR A 64 85.733 47.284 -8.247 1.00 0.00 O ATOM 989 CG2 THR A 64 83.895 45.719 -8.213 1.00 0.00 C ATOM 0 H THR A 64 85.833 48.126 -10.423 1.00 0.00 H new ATOM 0 HA THR A 64 83.100 47.049 -10.178 1.00 0.00 H new ATOM 0 HB THR A 64 83.817 47.774 -7.637 1.00 0.00 H new ATOM 0 HG1 THR A 64 85.996 46.952 -7.363 1.00 0.00 H new ATOM 0 HG21 THR A 64 84.207 45.373 -7.228 1.00 0.00 H new ATOM 0 HG22 THR A 64 82.811 45.639 -8.299 1.00 0.00 H new ATOM 0 HG23 THR A 64 84.366 45.104 -8.980 1.00 0.00 H new ATOM 997 N SER A 65 84.228 50.093 -9.813 1.00 0.00 N ATOM 998 CA SER A 65 83.843 51.494 -9.696 1.00 0.00 C ATOM 999 C SER A 65 82.849 51.878 -10.788 1.00 0.00 C ATOM 1000 O SER A 65 82.046 52.795 -10.618 1.00 0.00 O ATOM 1001 CB SER A 65 85.078 52.393 -9.775 1.00 0.00 C ATOM 1002 OG SER A 65 85.261 53.117 -8.571 1.00 0.00 O ATOM 0 H SER A 65 85.211 49.943 -10.040 1.00 0.00 H new ATOM 0 HA SER A 65 83.363 51.633 -8.727 1.00 0.00 H new ATOM 0 HB2 SER A 65 85.961 51.786 -9.976 1.00 0.00 H new ATOM 0 HB3 SER A 65 84.973 53.088 -10.608 1.00 0.00 H new ATOM 0 HG SER A 65 86.058 53.682 -8.647 1.00 0.00 H new ATOM 1008 N PHE A 66 82.911 51.169 -11.910 1.00 0.00 N ATOM 1009 CA PHE A 66 82.018 51.435 -13.032 1.00 0.00 C ATOM 1010 C PHE A 66 80.585 51.036 -12.693 1.00 0.00 C ATOM 1011 O PHE A 66 79.629 51.602 -13.225 1.00 0.00 O ATOM 1012 CB PHE A 66 82.489 50.679 -14.277 1.00 0.00 C ATOM 1013 CG PHE A 66 82.620 51.550 -15.493 1.00 0.00 C ATOM 1014 CD1 PHE A 66 83.582 52.546 -15.549 1.00 0.00 C ATOM 1015 CD2 PHE A 66 81.782 51.372 -16.582 1.00 0.00 C ATOM 1016 CE1 PHE A 66 83.703 53.349 -16.667 1.00 0.00 C ATOM 1017 CE2 PHE A 66 81.899 52.172 -17.703 1.00 0.00 C ATOM 1018 CZ PHE A 66 82.862 53.161 -17.746 1.00 0.00 C ATOM 0 H PHE A 66 83.570 50.406 -12.067 1.00 0.00 H new ATOM 0 HA PHE A 66 82.040 52.506 -13.235 1.00 0.00 H new ATOM 0 HB2 PHE A 66 83.452 50.214 -14.067 1.00 0.00 H new ATOM 0 HB3 PHE A 66 81.786 49.874 -14.491 1.00 0.00 H new ATOM 0 HD1 PHE A 66 84.245 52.696 -14.709 1.00 0.00 H new ATOM 0 HD2 PHE A 66 81.028 50.599 -16.555 1.00 0.00 H new ATOM 0 HE1 PHE A 66 84.455 54.123 -16.697 1.00 0.00 H new ATOM 0 HE2 PHE A 66 81.238 52.024 -18.544 1.00 0.00 H new ATOM 0 HZ PHE A 66 82.957 53.786 -18.622 1.00 0.00 H new ATOM 1028 N PHE A 67 80.444 50.058 -11.805 1.00 0.00 N ATOM 1029 CA PHE A 67 79.128 49.581 -11.396 1.00 0.00 C ATOM 1030 C PHE A 67 78.822 49.996 -9.959 1.00 0.00 C ATOM 1031 O PHE A 67 78.131 49.285 -9.231 1.00 0.00 O ATOM 1032 CB PHE A 67 79.050 48.059 -11.526 1.00 0.00 C ATOM 1033 CG PHE A 67 79.568 47.542 -12.838 1.00 0.00 C ATOM 1034 CD1 PHE A 67 78.774 47.575 -13.973 1.00 0.00 C ATOM 1035 CD2 PHE A 67 80.849 47.024 -12.936 1.00 0.00 C ATOM 1036 CE1 PHE A 67 79.247 47.100 -15.181 1.00 0.00 C ATOM 1037 CE2 PHE A 67 81.329 46.549 -14.142 1.00 0.00 C ATOM 1038 CZ PHE A 67 80.526 46.586 -15.266 1.00 0.00 C ATOM 0 H PHE A 67 81.225 49.580 -11.355 1.00 0.00 H new ATOM 0 HA PHE A 67 78.385 50.033 -12.053 1.00 0.00 H new ATOM 0 HB2 PHE A 67 79.618 47.603 -10.715 1.00 0.00 H new ATOM 0 HB3 PHE A 67 78.013 47.745 -11.404 1.00 0.00 H new ATOM 0 HD1 PHE A 67 77.773 47.977 -13.913 1.00 0.00 H new ATOM 0 HD2 PHE A 67 81.480 46.991 -12.060 1.00 0.00 H new ATOM 0 HE1 PHE A 67 78.617 47.131 -16.058 1.00 0.00 H new ATOM 0 HE2 PHE A 67 82.330 46.149 -14.206 1.00 0.00 H new ATOM 0 HZ PHE A 67 80.898 46.214 -16.209 1.00 0.00 H new ATOM 1048 N GLN A 68 79.344 51.152 -9.560 1.00 0.00 N ATOM 1049 CA GLN A 68 79.128 51.661 -8.211 1.00 0.00 C ATOM 1050 C GLN A 68 77.853 52.495 -8.141 1.00 0.00 C ATOM 1051 O GLN A 68 77.215 52.585 -7.093 1.00 0.00 O ATOM 1052 CB GLN A 68 80.325 52.500 -7.762 1.00 0.00 C ATOM 1053 CG GLN A 68 80.418 53.848 -8.458 1.00 0.00 C ATOM 1054 CD GLN A 68 79.910 54.987 -7.596 1.00 0.00 C ATOM 1055 OE1 GLN A 68 78.883 54.864 -6.927 1.00 0.00 O ATOM 1056 NE2 GLN A 68 80.628 56.104 -7.607 1.00 0.00 N ATOM 0 H GLN A 68 79.919 51.753 -10.151 1.00 0.00 H new ATOM 0 HA GLN A 68 79.019 50.808 -7.541 1.00 0.00 H new ATOM 0 HB2 GLN A 68 80.263 52.660 -6.686 1.00 0.00 H new ATOM 0 HB3 GLN A 68 81.241 51.940 -7.949 1.00 0.00 H new ATOM 0 HG2 GLN A 68 81.455 54.040 -8.732 1.00 0.00 H new ATOM 0 HG3 GLN A 68 79.844 53.815 -9.384 1.00 0.00 H new ATOM 0 HE21 GLN A 68 81.472 56.162 -8.176 1.00 0.00 H new ATOM 0 HE22 GLN A 68 80.335 56.904 -7.046 1.00 0.00 H new ATOM 1065 N ASN A 69 77.487 53.102 -9.265 1.00 0.00 N ATOM 1066 CA ASN A 69 76.288 53.930 -9.331 1.00 0.00 C ATOM 1067 C ASN A 69 75.709 53.938 -10.742 1.00 0.00 C ATOM 1068 O ASN A 69 75.046 54.893 -11.147 1.00 0.00 O ATOM 1069 CB ASN A 69 76.605 55.360 -8.889 1.00 0.00 C ATOM 1070 CG ASN A 69 77.791 55.945 -9.632 1.00 0.00 C ATOM 1071 OD1 ASN A 69 78.265 55.374 -10.614 1.00 0.00 O ATOM 1072 ND2 ASN A 69 78.275 57.089 -9.164 1.00 0.00 N ATOM 0 H ASN A 69 78.003 53.036 -10.142 1.00 0.00 H new ATOM 0 HA ASN A 69 75.546 53.505 -8.656 1.00 0.00 H new ATOM 0 HB2 ASN A 69 75.731 55.990 -9.052 1.00 0.00 H new ATOM 0 HB3 ASN A 69 76.810 55.370 -7.818 1.00 0.00 H new ATOM 0 HD21 ASN A 69 79.072 57.531 -9.622 1.00 0.00 H new ATOM 0 HD22 ASN A 69 77.850 57.526 -8.347 1.00 0.00 H new ATOM 1079 N MET A 70 75.964 52.867 -11.487 1.00 0.00 N ATOM 1080 CA MET A 70 75.467 52.750 -12.853 1.00 0.00 C ATOM 1081 C MET A 70 73.983 52.400 -12.863 1.00 0.00 C ATOM 1082 O MET A 70 73.536 51.528 -12.117 1.00 0.00 O ATOM 1083 CB MET A 70 76.259 51.687 -13.617 1.00 0.00 C ATOM 1084 CG MET A 70 75.975 51.674 -15.110 1.00 0.00 C ATOM 1085 SD MET A 70 77.179 52.629 -16.055 1.00 0.00 S ATOM 1086 CE MET A 70 78.298 51.334 -16.582 1.00 0.00 C ATOM 0 H MET A 70 76.512 52.068 -11.168 1.00 0.00 H new ATOM 0 HA MET A 70 75.598 53.714 -13.345 1.00 0.00 H new ATOM 0 HB2 MET A 70 77.324 51.856 -13.460 1.00 0.00 H new ATOM 0 HB3 MET A 70 76.028 50.706 -13.203 1.00 0.00 H new ATOM 0 HG2 MET A 70 75.974 50.644 -15.467 1.00 0.00 H new ATOM 0 HG3 MET A 70 74.977 52.075 -15.290 1.00 0.00 H new ATOM 0 HE1 MET A 70 78.797 51.637 -17.503 1.00 0.00 H new ATOM 0 HE2 MET A 70 79.043 51.159 -15.806 1.00 0.00 H new ATOM 0 HE3 MET A 70 77.736 50.417 -16.759 1.00 0.00 H new ATOM 1096 N ASP A 71 73.224 53.085 -13.711 1.00 0.00 N ATOM 1097 CA ASP A 71 71.789 52.845 -13.819 1.00 0.00 C ATOM 1098 C ASP A 71 71.510 51.553 -14.580 1.00 0.00 C ATOM 1099 O ASP A 71 72.146 51.267 -15.593 1.00 0.00 O ATOM 1100 CB ASP A 71 71.105 54.021 -14.517 1.00 0.00 C ATOM 1101 CG ASP A 71 71.650 55.361 -14.063 1.00 0.00 C ATOM 1102 OD1 ASP A 71 71.736 55.582 -12.836 1.00 0.00 O ATOM 1103 OD2 ASP A 71 71.992 56.188 -14.933 1.00 0.00 O ATOM 0 H ASP A 71 73.578 53.811 -14.334 1.00 0.00 H new ATOM 0 HA ASP A 71 71.385 52.746 -12.811 1.00 0.00 H new ATOM 0 HB2 ASP A 71 71.235 53.926 -15.595 1.00 0.00 H new ATOM 0 HB3 ASP A 71 70.033 53.983 -14.321 1.00 0.00 H new ATOM 1108 N GLY A 72 70.553 50.774 -14.083 1.00 0.00 N ATOM 1109 CA GLY A 72 70.207 49.521 -14.728 1.00 0.00 C ATOM 1110 C GLY A 72 69.899 49.694 -16.202 1.00 0.00 C ATOM 1111 O GLY A 72 70.187 48.812 -17.012 1.00 0.00 O ATOM 0 H GLY A 72 70.012 50.989 -13.246 1.00 0.00 H new ATOM 0 HA2 GLY A 72 71.031 48.817 -14.612 1.00 0.00 H new ATOM 0 HA3 GLY A 72 69.342 49.085 -14.228 1.00 0.00 H new ATOM 1115 N LYS A 73 69.310 50.832 -16.552 1.00 0.00 N ATOM 1116 CA LYS A 73 68.961 51.118 -17.939 1.00 0.00 C ATOM 1117 C LYS A 73 70.206 51.139 -18.820 1.00 0.00 C ATOM 1118 O LYS A 73 70.134 50.865 -20.017 1.00 0.00 O ATOM 1119 CB LYS A 73 68.232 52.460 -18.036 1.00 0.00 C ATOM 1120 CG LYS A 73 66.760 52.329 -18.387 1.00 0.00 C ATOM 1121 CD LYS A 73 66.311 53.431 -19.332 1.00 0.00 C ATOM 1122 CE LYS A 73 64.963 53.113 -19.959 1.00 0.00 C ATOM 1123 NZ LYS A 73 64.846 53.671 -21.335 1.00 0.00 N ATOM 0 H LYS A 73 69.064 51.572 -15.894 1.00 0.00 H new ATOM 0 HA LYS A 73 68.301 50.326 -18.292 1.00 0.00 H new ATOM 0 HB2 LYS A 73 68.325 52.984 -17.085 1.00 0.00 H new ATOM 0 HB3 LYS A 73 68.723 53.077 -18.789 1.00 0.00 H new ATOM 0 HG2 LYS A 73 66.580 51.358 -18.848 1.00 0.00 H new ATOM 0 HG3 LYS A 73 66.163 52.365 -17.476 1.00 0.00 H new ATOM 0 HD2 LYS A 73 66.247 54.374 -18.789 1.00 0.00 H new ATOM 0 HD3 LYS A 73 67.056 53.565 -20.117 1.00 0.00 H new ATOM 0 HE2 LYS A 73 64.824 52.032 -19.992 1.00 0.00 H new ATOM 0 HE3 LYS A 73 64.167 53.518 -19.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 63.913 53.433 -21.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 64.954 54.705 -21.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 65.590 53.265 -21.938 1.00 0.00 H new ATOM 1137 N GLU A 74 71.346 51.464 -18.218 1.00 0.00 N ATOM 1138 CA GLU A 74 72.606 51.519 -18.950 1.00 0.00 C ATOM 1139 C GLU A 74 73.254 50.139 -19.022 1.00 0.00 C ATOM 1140 O GLU A 74 73.882 49.788 -20.022 1.00 0.00 O ATOM 1141 CB GLU A 74 73.564 52.510 -18.285 1.00 0.00 C ATOM 1142 CG GLU A 74 73.665 53.840 -19.012 1.00 0.00 C ATOM 1143 CD GLU A 74 74.537 54.841 -18.278 1.00 0.00 C ATOM 1144 OE1 GLU A 74 74.451 54.902 -17.034 1.00 0.00 O ATOM 1145 OE2 GLU A 74 75.303 55.564 -18.948 1.00 0.00 O ATOM 0 H GLU A 74 71.423 51.693 -17.227 1.00 0.00 H new ATOM 0 HA GLU A 74 72.393 51.855 -19.965 1.00 0.00 H new ATOM 0 HB2 GLU A 74 73.235 52.689 -17.261 1.00 0.00 H new ATOM 0 HB3 GLU A 74 74.555 52.061 -18.227 1.00 0.00 H new ATOM 0 HG2 GLU A 74 74.070 53.674 -20.010 1.00 0.00 H new ATOM 0 HG3 GLU A 74 72.666 54.258 -19.138 1.00 0.00 H new ATOM 1152 N LEU A 75 73.096 49.362 -17.957 1.00 0.00 N ATOM 1153 CA LEU A 75 73.666 48.020 -17.898 1.00 0.00 C ATOM 1154 C LEU A 75 73.260 47.202 -19.121 1.00 0.00 C ATOM 1155 O LEU A 75 74.099 46.571 -19.764 1.00 0.00 O ATOM 1156 CB LEU A 75 73.214 47.308 -16.622 1.00 0.00 C ATOM 1157 CG LEU A 75 74.328 46.847 -15.681 1.00 0.00 C ATOM 1158 CD1 LEU A 75 74.831 48.009 -14.839 1.00 0.00 C ATOM 1159 CD2 LEU A 75 73.839 45.713 -14.791 1.00 0.00 C ATOM 0 H LEU A 75 72.578 49.637 -17.122 1.00 0.00 H new ATOM 0 HA LEU A 75 74.752 48.113 -17.890 1.00 0.00 H new ATOM 0 HB2 LEU A 75 72.554 47.977 -16.071 1.00 0.00 H new ATOM 0 HB3 LEU A 75 72.622 46.438 -16.905 1.00 0.00 H new ATOM 0 HG LEU A 75 75.157 46.477 -16.284 1.00 0.00 H new ATOM 0 HD11 LEU A 75 75.623 47.662 -14.176 1.00 0.00 H new ATOM 0 HD12 LEU A 75 75.221 48.790 -15.492 1.00 0.00 H new ATOM 0 HD13 LEU A 75 74.010 48.410 -14.245 1.00 0.00 H new ATOM 0 HD21 LEU A 75 74.645 45.398 -14.128 1.00 0.00 H new ATOM 0 HD22 LEU A 75 72.993 46.056 -14.196 1.00 0.00 H new ATOM 0 HD23 LEU A 75 73.529 44.872 -15.411 1.00 0.00 H new ATOM 1171 N CYS A 76 71.970 47.220 -19.436 1.00 0.00 N ATOM 1172 CA CYS A 76 71.453 46.481 -20.582 1.00 0.00 C ATOM 1173 C CYS A 76 71.892 47.130 -21.891 1.00 0.00 C ATOM 1174 O CYS A 76 72.023 46.460 -22.915 1.00 0.00 O ATOM 1175 CB CYS A 76 69.926 46.409 -20.522 1.00 0.00 C ATOM 1176 SG CYS A 76 69.104 48.010 -20.699 1.00 0.00 S ATOM 0 H CYS A 76 71.263 47.738 -18.914 1.00 0.00 H new ATOM 0 HA CYS A 76 71.859 45.470 -20.544 1.00 0.00 H new ATOM 0 HB2 CYS A 76 69.573 45.743 -21.309 1.00 0.00 H new ATOM 0 HB3 CYS A 76 69.631 45.964 -19.572 1.00 0.00 H new ATOM 0 HG CYS A 76 69.899 48.954 -20.290 1.00 0.00 H new ATOM 1182 N LYS A 77 72.118 48.439 -21.849 1.00 0.00 N ATOM 1183 CA LYS A 77 72.543 49.180 -23.031 1.00 0.00 C ATOM 1184 C LYS A 77 73.986 48.844 -23.394 1.00 0.00 C ATOM 1185 O LYS A 77 74.352 48.829 -24.569 1.00 0.00 O ATOM 1186 CB LYS A 77 72.404 50.685 -22.791 1.00 0.00 C ATOM 1187 CG LYS A 77 71.174 51.293 -23.443 1.00 0.00 C ATOM 1188 CD LYS A 77 70.986 52.744 -23.033 1.00 0.00 C ATOM 1189 CE LYS A 77 69.687 53.314 -23.581 1.00 0.00 C ATOM 1190 NZ LYS A 77 69.930 54.305 -24.667 1.00 0.00 N ATOM 0 H LYS A 77 72.014 49.008 -21.009 1.00 0.00 H new ATOM 0 HA LYS A 77 71.901 48.889 -23.862 1.00 0.00 H new ATOM 0 HB2 LYS A 77 72.366 50.871 -21.718 1.00 0.00 H new ATOM 0 HB3 LYS A 77 73.293 51.189 -23.171 1.00 0.00 H new ATOM 0 HG2 LYS A 77 71.267 51.229 -24.527 1.00 0.00 H new ATOM 0 HG3 LYS A 77 70.291 50.718 -23.164 1.00 0.00 H new ATOM 0 HD2 LYS A 77 70.987 52.819 -21.946 1.00 0.00 H new ATOM 0 HD3 LYS A 77 71.826 53.337 -23.395 1.00 0.00 H new ATOM 0 HE2 LYS A 77 69.067 52.503 -23.962 1.00 0.00 H new ATOM 0 HE3 LYS A 77 69.130 53.789 -22.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 69.020 54.670 -25.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 70.501 55.092 -24.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 70.439 53.845 -25.449 1.00 0.00 H new ATOM 1204 N MET A 78 74.799 48.573 -22.379 1.00 0.00 N ATOM 1205 CA MET A 78 76.202 48.234 -22.594 1.00 0.00 C ATOM 1206 C MET A 78 76.338 47.098 -23.602 1.00 0.00 C ATOM 1207 O MET A 78 75.871 45.985 -23.364 1.00 0.00 O ATOM 1208 CB MET A 78 76.861 47.839 -21.271 1.00 0.00 C ATOM 1209 CG MET A 78 77.136 49.019 -20.353 1.00 0.00 C ATOM 1210 SD MET A 78 78.077 48.554 -18.887 1.00 0.00 S ATOM 1211 CE MET A 78 79.725 48.409 -19.573 1.00 0.00 C ATOM 0 H MET A 78 74.512 48.581 -21.400 1.00 0.00 H new ATOM 0 HA MET A 78 76.706 49.114 -22.995 1.00 0.00 H new ATOM 0 HB2 MET A 78 76.218 47.128 -20.752 1.00 0.00 H new ATOM 0 HB3 MET A 78 77.800 47.326 -21.481 1.00 0.00 H new ATOM 0 HG2 MET A 78 77.684 49.783 -20.904 1.00 0.00 H new ATOM 0 HG3 MET A 78 76.189 49.464 -20.046 1.00 0.00 H new ATOM 0 HE1 MET A 78 80.332 47.772 -18.929 1.00 0.00 H new ATOM 0 HE2 MET A 78 79.667 47.969 -20.569 1.00 0.00 H new ATOM 0 HE3 MET A 78 80.180 49.397 -19.639 1.00 0.00 H new ATOM 1221 N ASN A 79 76.981 47.387 -24.729 1.00 0.00 N ATOM 1222 CA ASN A 79 77.178 46.389 -25.774 1.00 0.00 C ATOM 1223 C ASN A 79 78.487 45.634 -25.566 1.00 0.00 C ATOM 1224 O ASN A 79 79.140 45.775 -24.532 1.00 0.00 O ATOM 1225 CB ASN A 79 77.174 47.055 -27.152 1.00 0.00 C ATOM 1226 CG ASN A 79 76.240 46.364 -28.126 1.00 0.00 C ATOM 1227 OD1 ASN A 79 76.116 45.139 -28.122 1.00 0.00 O ATOM 1228 ND2 ASN A 79 75.576 47.149 -28.967 1.00 0.00 N ATOM 0 H ASN A 79 77.374 48.304 -24.942 1.00 0.00 H new ATOM 0 HA ASN A 79 76.355 45.676 -25.720 1.00 0.00 H new ATOM 0 HB2 ASN A 79 76.878 48.099 -27.047 1.00 0.00 H new ATOM 0 HB3 ASN A 79 78.186 47.050 -27.558 1.00 0.00 H new ATOM 0 HD21 ASN A 79 74.932 46.741 -29.645 1.00 0.00 H new ATOM 0 HD22 ASN A 79 75.710 48.160 -28.935 1.00 0.00 H new ATOM 1235 N LYS A 80 78.864 44.832 -26.555 1.00 0.00 N ATOM 1236 CA LYS A 80 80.096 44.055 -26.483 1.00 0.00 C ATOM 1237 C LYS A 80 81.311 44.970 -26.375 1.00 0.00 C ATOM 1238 O LYS A 80 82.302 44.628 -25.731 1.00 0.00 O ATOM 1239 CB LYS A 80 80.230 43.156 -27.715 1.00 0.00 C ATOM 1240 CG LYS A 80 81.430 42.227 -27.663 1.00 0.00 C ATOM 1241 CD LYS A 80 81.048 40.852 -27.138 1.00 0.00 C ATOM 1242 CE LYS A 80 81.381 39.760 -28.143 1.00 0.00 C ATOM 1243 NZ LYS A 80 80.673 39.963 -29.437 1.00 0.00 N ATOM 0 H LYS A 80 78.334 44.703 -27.417 1.00 0.00 H new ATOM 0 HA LYS A 80 80.051 43.432 -25.589 1.00 0.00 H new ATOM 0 HB2 LYS A 80 79.324 42.559 -27.819 1.00 0.00 H new ATOM 0 HB3 LYS A 80 80.304 43.782 -28.604 1.00 0.00 H new ATOM 0 HG2 LYS A 80 81.860 42.130 -28.660 1.00 0.00 H new ATOM 0 HG3 LYS A 80 82.200 42.661 -27.024 1.00 0.00 H new ATOM 0 HD2 LYS A 80 81.573 40.660 -26.203 1.00 0.00 H new ATOM 0 HD3 LYS A 80 79.981 40.830 -26.915 1.00 0.00 H new ATOM 0 HE2 LYS A 80 82.457 39.742 -28.317 1.00 0.00 H new ATOM 0 HE3 LYS A 80 81.109 38.789 -27.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 80.553 39.047 -29.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 79.740 40.386 -29.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 81.231 40.598 -30.042 1.00 0.00 H new ATOM 1257 N GLU A 81 81.227 46.136 -27.009 1.00 0.00 N ATOM 1258 CA GLU A 81 82.320 47.101 -26.982 1.00 0.00 C ATOM 1259 C GLU A 81 82.362 47.839 -25.647 1.00 0.00 C ATOM 1260 O GLU A 81 83.431 48.044 -25.072 1.00 0.00 O ATOM 1261 CB GLU A 81 82.173 48.104 -28.128 1.00 0.00 C ATOM 1262 CG GLU A 81 82.145 47.457 -29.503 1.00 0.00 C ATOM 1263 CD GLU A 81 82.911 48.256 -30.539 1.00 0.00 C ATOM 1264 OE1 GLU A 81 83.064 49.481 -30.348 1.00 0.00 O ATOM 1265 OE2 GLU A 81 83.356 47.658 -31.541 1.00 0.00 O ATOM 0 H GLU A 81 80.414 46.435 -27.547 1.00 0.00 H new ATOM 0 HA GLU A 81 83.255 46.555 -27.105 1.00 0.00 H new ATOM 0 HB2 GLU A 81 81.255 48.674 -27.985 1.00 0.00 H new ATOM 0 HB3 GLU A 81 82.999 48.814 -28.086 1.00 0.00 H new ATOM 0 HG2 GLU A 81 82.568 46.454 -29.437 1.00 0.00 H new ATOM 0 HG3 GLU A 81 81.110 47.346 -29.827 1.00 0.00 H new ATOM 1272 N ASP A 82 81.191 48.236 -25.161 1.00 0.00 N ATOM 1273 CA ASP A 82 81.092 48.952 -23.894 1.00 0.00 C ATOM 1274 C ASP A 82 81.625 48.100 -22.746 1.00 0.00 C ATOM 1275 O ASP A 82 82.526 48.516 -22.018 1.00 0.00 O ATOM 1276 CB ASP A 82 79.641 49.349 -23.620 1.00 0.00 C ATOM 1277 CG ASP A 82 79.160 50.456 -24.538 1.00 0.00 C ATOM 1278 OD1 ASP A 82 79.266 50.293 -25.771 1.00 0.00 O ATOM 1279 OD2 ASP A 82 78.678 51.486 -24.022 1.00 0.00 O ATOM 0 H ASP A 82 80.297 48.074 -25.625 1.00 0.00 H new ATOM 0 HA ASP A 82 81.699 49.854 -23.966 1.00 0.00 H new ATOM 0 HB2 ASP A 82 79.000 48.476 -23.741 1.00 0.00 H new ATOM 0 HB3 ASP A 82 79.546 49.673 -22.584 1.00 0.00 H new ATOM 1284 N PHE A 83 81.062 46.907 -22.590 1.00 0.00 N ATOM 1285 CA PHE A 83 81.478 45.998 -21.529 1.00 0.00 C ATOM 1286 C PHE A 83 82.963 45.667 -21.649 1.00 0.00 C ATOM 1287 O PHE A 83 83.647 45.456 -20.646 1.00 0.00 O ATOM 1288 CB PHE A 83 80.652 44.711 -21.578 1.00 0.00 C ATOM 1289 CG PHE A 83 79.396 44.774 -20.757 1.00 0.00 C ATOM 1290 CD1 PHE A 83 79.447 45.102 -19.412 1.00 0.00 C ATOM 1291 CD2 PHE A 83 78.164 44.504 -21.331 1.00 0.00 C ATOM 1292 CE1 PHE A 83 78.292 45.161 -18.654 1.00 0.00 C ATOM 1293 CE2 PHE A 83 77.006 44.563 -20.578 1.00 0.00 C ATOM 1294 CZ PHE A 83 77.070 44.890 -19.238 1.00 0.00 C ATOM 0 H PHE A 83 80.316 46.547 -23.185 1.00 0.00 H new ATOM 0 HA PHE A 83 81.309 46.493 -20.573 1.00 0.00 H new ATOM 0 HB2 PHE A 83 80.389 44.497 -22.614 1.00 0.00 H new ATOM 0 HB3 PHE A 83 81.265 43.881 -21.226 1.00 0.00 H new ATOM 0 HD1 PHE A 83 80.400 45.314 -18.950 1.00 0.00 H new ATOM 0 HD2 PHE A 83 78.108 44.245 -22.378 1.00 0.00 H new ATOM 0 HE1 PHE A 83 78.345 45.419 -17.607 1.00 0.00 H new ATOM 0 HE2 PHE A 83 76.052 44.353 -21.038 1.00 0.00 H new ATOM 0 HZ PHE A 83 76.167 44.934 -18.648 1.00 0.00 H new ATOM 1304 N LEU A 84 83.456 45.623 -22.882 1.00 0.00 N ATOM 1305 CA LEU A 84 84.860 45.317 -23.134 1.00 0.00 C ATOM 1306 C LEU A 84 85.770 46.315 -22.425 1.00 0.00 C ATOM 1307 O LEU A 84 86.882 45.976 -22.020 1.00 0.00 O ATOM 1308 CB LEU A 84 85.143 45.330 -24.638 1.00 0.00 C ATOM 1309 CG LEU A 84 85.135 43.968 -25.334 1.00 0.00 C ATOM 1310 CD1 LEU A 84 85.125 44.141 -26.844 1.00 0.00 C ATOM 1311 CD2 LEU A 84 86.335 43.140 -24.898 1.00 0.00 C ATOM 0 H LEU A 84 82.905 45.795 -23.723 1.00 0.00 H new ATOM 0 HA LEU A 84 85.066 44.322 -22.740 1.00 0.00 H new ATOM 0 HB2 LEU A 84 84.402 45.967 -25.121 1.00 0.00 H new ATOM 0 HB3 LEU A 84 86.116 45.793 -24.800 1.00 0.00 H new ATOM 0 HG LEU A 84 84.228 43.438 -25.044 1.00 0.00 H new ATOM 0 HD11 LEU A 84 85.119 43.162 -27.322 1.00 0.00 H new ATOM 0 HD12 LEU A 84 84.234 44.695 -27.141 1.00 0.00 H new ATOM 0 HD13 LEU A 84 86.014 44.691 -27.153 1.00 0.00 H new ATOM 0 HD21 LEU A 84 86.313 42.174 -25.403 1.00 0.00 H new ATOM 0 HD22 LEU A 84 87.254 43.665 -25.159 1.00 0.00 H new ATOM 0 HD23 LEU A 84 86.299 42.986 -23.819 1.00 0.00 H new ATOM 1323 N ARG A 85 85.290 47.545 -22.278 1.00 0.00 N ATOM 1324 CA ARG A 85 86.060 48.592 -21.617 1.00 0.00 C ATOM 1325 C ARG A 85 86.102 48.366 -20.109 1.00 0.00 C ATOM 1326 O ARG A 85 87.051 48.768 -19.437 1.00 0.00 O ATOM 1327 CB ARG A 85 85.459 49.966 -21.921 1.00 0.00 C ATOM 1328 CG ARG A 85 85.140 50.179 -23.392 1.00 0.00 C ATOM 1329 CD ARG A 85 84.983 51.655 -23.719 1.00 0.00 C ATOM 1330 NE ARG A 85 83.581 52.060 -23.768 1.00 0.00 N ATOM 1331 CZ ARG A 85 83.170 53.233 -24.236 1.00 0.00 C ATOM 1332 NH1 ARG A 85 84.050 54.113 -24.693 1.00 0.00 N ATOM 1333 NH2 ARG A 85 81.876 53.528 -24.247 1.00 0.00 N ATOM 0 H ARG A 85 84.371 47.841 -22.608 1.00 0.00 H new ATOM 0 HA ARG A 85 87.079 48.556 -22.001 1.00 0.00 H new ATOM 0 HB2 ARG A 85 84.546 50.091 -21.338 1.00 0.00 H new ATOM 0 HB3 ARG A 85 86.155 50.738 -21.593 1.00 0.00 H new ATOM 0 HG2 ARG A 85 85.935 49.752 -24.003 1.00 0.00 H new ATOM 0 HG3 ARG A 85 84.222 49.649 -23.647 1.00 0.00 H new ATOM 0 HD2 ARG A 85 85.506 52.250 -22.970 1.00 0.00 H new ATOM 0 HD3 ARG A 85 85.455 51.866 -24.679 1.00 0.00 H new ATOM 0 HE ARG A 85 82.878 51.406 -23.424 1.00 0.00 H new ATOM 0 HH11 ARG A 85 85.045 53.890 -24.686 1.00 0.00 H new ATOM 0 HH12 ARG A 85 83.732 55.013 -25.052 1.00 0.00 H new ATOM 0 HH21 ARG A 85 81.196 52.854 -23.896 1.00 0.00 H new ATOM 0 HH22 ARG A 85 81.561 54.429 -24.607 1.00 0.00 H new ATOM 1347 N ALA A 86 85.067 47.719 -19.583 1.00 0.00 N ATOM 1348 CA ALA A 86 84.986 47.438 -18.155 1.00 0.00 C ATOM 1349 C ALA A 86 85.709 46.141 -17.809 1.00 0.00 C ATOM 1350 O ALA A 86 86.363 46.040 -16.771 1.00 0.00 O ATOM 1351 CB ALA A 86 83.532 47.369 -17.712 1.00 0.00 C ATOM 0 H ALA A 86 84.272 47.379 -20.125 1.00 0.00 H new ATOM 0 HA ALA A 86 85.478 48.251 -17.621 1.00 0.00 H new ATOM 0 HB1 ALA A 86 83.487 47.159 -16.643 1.00 0.00 H new ATOM 0 HB2 ALA A 86 83.044 48.322 -17.915 1.00 0.00 H new ATOM 0 HB3 ALA A 86 83.022 46.577 -18.260 1.00 0.00 H new ATOM 1357 N THR A 87 85.587 45.149 -18.686 1.00 0.00 N ATOM 1358 CA THR A 87 86.227 43.857 -18.473 1.00 0.00 C ATOM 1359 C THR A 87 86.627 43.216 -19.797 1.00 0.00 C ATOM 1360 O THR A 87 86.291 43.719 -20.869 1.00 0.00 O ATOM 1361 CB THR A 87 85.303 42.892 -17.706 1.00 0.00 C ATOM 1362 OG1 THR A 87 86.029 41.718 -17.326 1.00 0.00 O ATOM 1363 CG2 THR A 87 84.105 42.501 -18.557 1.00 0.00 C ATOM 0 H THR A 87 85.050 45.216 -19.551 1.00 0.00 H new ATOM 0 HA THR A 87 87.121 44.042 -17.878 1.00 0.00 H new ATOM 0 HB THR A 87 84.943 43.401 -16.812 1.00 0.00 H new ATOM 0 HG1 THR A 87 86.668 41.943 -16.618 1.00 0.00 H new ATOM 0 HG21 THR A 87 83.467 41.819 -17.995 1.00 0.00 H new ATOM 0 HG22 THR A 87 83.539 43.394 -18.820 1.00 0.00 H new ATOM 0 HG23 THR A 87 84.450 42.009 -19.466 1.00 0.00 H new ATOM 1371 N THR A 88 87.347 42.101 -19.716 1.00 0.00 N ATOM 1372 CA THR A 88 87.793 41.391 -20.908 1.00 0.00 C ATOM 1373 C THR A 88 86.621 40.731 -21.625 1.00 0.00 C ATOM 1374 O THR A 88 85.515 40.655 -21.089 1.00 0.00 O ATOM 1375 CB THR A 88 88.840 40.316 -20.562 1.00 0.00 C ATOM 1376 OG1 THR A 88 88.236 39.275 -19.787 1.00 0.00 O ATOM 1377 CG2 THR A 88 90.002 40.921 -19.790 1.00 0.00 C ATOM 0 H THR A 88 87.634 41.670 -18.837 1.00 0.00 H new ATOM 0 HA THR A 88 88.247 42.132 -21.566 1.00 0.00 H new ATOM 0 HB THR A 88 89.222 39.899 -21.494 1.00 0.00 H new ATOM 0 HG1 THR A 88 88.908 38.595 -19.573 1.00 0.00 H new ATOM 0 HG21 THR A 88 90.729 40.143 -19.557 1.00 0.00 H new ATOM 0 HG22 THR A 88 90.478 41.693 -20.395 1.00 0.00 H new ATOM 0 HG23 THR A 88 89.633 41.362 -18.864 1.00 0.00 H new ATOM 1385 N LEU A 89 86.870 40.255 -22.840 1.00 0.00 N ATOM 1386 CA LEU A 89 85.834 39.600 -23.632 1.00 0.00 C ATOM 1387 C LEU A 89 85.320 38.349 -22.927 1.00 0.00 C ATOM 1388 O LEU A 89 84.118 38.082 -22.912 1.00 0.00 O ATOM 1389 CB LEU A 89 86.377 39.233 -25.014 1.00 0.00 C ATOM 1390 CG LEU A 89 85.349 39.169 -26.144 1.00 0.00 C ATOM 1391 CD1 LEU A 89 84.290 38.120 -25.843 1.00 0.00 C ATOM 1392 CD2 LEU A 89 84.706 40.532 -26.358 1.00 0.00 C ATOM 0 H LEU A 89 87.780 40.310 -23.298 1.00 0.00 H new ATOM 0 HA LEU A 89 85.004 40.297 -23.748 1.00 0.00 H new ATOM 0 HB2 LEU A 89 87.142 39.960 -25.287 1.00 0.00 H new ATOM 0 HB3 LEU A 89 86.870 38.263 -24.943 1.00 0.00 H new ATOM 0 HG LEU A 89 85.863 38.884 -27.062 1.00 0.00 H new ATOM 0 HD11 LEU A 89 83.567 38.089 -26.658 1.00 0.00 H new ATOM 0 HD12 LEU A 89 84.764 37.144 -25.740 1.00 0.00 H new ATOM 0 HD13 LEU A 89 83.779 38.375 -24.914 1.00 0.00 H new ATOM 0 HD21 LEU A 89 83.977 40.468 -27.166 1.00 0.00 H new ATOM 0 HD22 LEU A 89 84.206 40.846 -25.442 1.00 0.00 H new ATOM 0 HD23 LEU A 89 85.474 41.260 -26.620 1.00 0.00 H new ATOM 1404 N TYR A 90 86.236 37.587 -22.341 1.00 0.00 N ATOM 1405 CA TYR A 90 85.875 36.364 -21.634 1.00 0.00 C ATOM 1406 C TYR A 90 84.790 36.635 -20.596 1.00 0.00 C ATOM 1407 O TYR A 90 83.844 35.861 -20.454 1.00 0.00 O ATOM 1408 CB TYR A 90 87.106 35.760 -20.956 1.00 0.00 C ATOM 1409 CG TYR A 90 86.788 34.583 -20.061 1.00 0.00 C ATOM 1410 CD1 TYR A 90 86.761 33.289 -20.565 1.00 0.00 C ATOM 1411 CD2 TYR A 90 86.515 34.766 -18.711 1.00 0.00 C ATOM 1412 CE1 TYR A 90 86.470 32.211 -19.751 1.00 0.00 C ATOM 1413 CE2 TYR A 90 86.224 33.694 -17.889 1.00 0.00 C ATOM 1414 CZ TYR A 90 86.203 32.419 -18.414 1.00 0.00 C ATOM 1415 OH TYR A 90 85.914 31.348 -17.600 1.00 0.00 O ATOM 0 H TYR A 90 87.235 37.795 -22.341 1.00 0.00 H new ATOM 0 HA TYR A 90 85.485 35.654 -22.363 1.00 0.00 H new ATOM 0 HB2 TYR A 90 87.813 35.442 -21.722 1.00 0.00 H new ATOM 0 HB3 TYR A 90 87.601 36.531 -20.366 1.00 0.00 H new ATOM 0 HD1 TYR A 90 86.971 33.123 -21.611 1.00 0.00 H new ATOM 0 HD2 TYR A 90 86.530 35.763 -18.297 1.00 0.00 H new ATOM 0 HE1 TYR A 90 86.452 31.211 -20.159 1.00 0.00 H new ATOM 0 HE2 TYR A 90 86.014 33.854 -16.842 1.00 0.00 H new ATOM 0 HH TYR A 90 85.751 31.665 -16.687 1.00 0.00 H new ATOM 1425 N ASN A 91 84.936 37.740 -19.873 1.00 0.00 N ATOM 1426 CA ASN A 91 83.969 38.115 -18.847 1.00 0.00 C ATOM 1427 C ASN A 91 82.736 38.762 -19.471 1.00 0.00 C ATOM 1428 O ASN A 91 81.608 38.516 -19.044 1.00 0.00 O ATOM 1429 CB ASN A 91 84.608 39.074 -17.841 1.00 0.00 C ATOM 1430 CG ASN A 91 85.527 38.363 -16.867 1.00 0.00 C ATOM 1431 OD1 ASN A 91 85.489 37.139 -16.741 1.00 0.00 O ATOM 1432 ND2 ASN A 91 86.361 39.130 -16.173 1.00 0.00 N ATOM 0 H ASN A 91 85.714 38.391 -19.978 1.00 0.00 H new ATOM 0 HA ASN A 91 83.658 37.208 -18.328 1.00 0.00 H new ATOM 0 HB2 ASN A 91 85.172 39.836 -18.378 1.00 0.00 H new ATOM 0 HB3 ASN A 91 83.824 39.589 -17.286 1.00 0.00 H new ATOM 0 HD21 ASN A 91 87.004 38.708 -15.503 1.00 0.00 H new ATOM 0 HD22 ASN A 91 86.358 40.141 -16.310 1.00 0.00 H new ATOM 1439 N THR A 92 82.960 39.590 -20.487 1.00 0.00 N ATOM 1440 CA THR A 92 81.868 40.272 -21.171 1.00 0.00 C ATOM 1441 C THR A 92 80.798 39.285 -21.620 1.00 0.00 C ATOM 1442 O THR A 92 79.604 39.573 -21.544 1.00 0.00 O ATOM 1443 CB THR A 92 82.376 41.055 -22.397 1.00 0.00 C ATOM 1444 OG1 THR A 92 83.346 42.026 -21.991 1.00 0.00 O ATOM 1445 CG2 THR A 92 81.225 41.748 -23.111 1.00 0.00 C ATOM 0 H THR A 92 83.887 39.804 -20.854 1.00 0.00 H new ATOM 0 HA THR A 92 81.435 40.971 -20.456 1.00 0.00 H new ATOM 0 HB THR A 92 82.838 40.348 -23.086 1.00 0.00 H new ATOM 0 HG1 THR A 92 84.105 41.573 -21.569 1.00 0.00 H new ATOM 0 HG21 THR A 92 81.608 42.294 -23.973 1.00 0.00 H new ATOM 0 HG22 THR A 92 80.503 41.003 -23.445 1.00 0.00 H new ATOM 0 HG23 THR A 92 80.739 42.444 -22.427 1.00 0.00 H new ATOM 1453 N GLU A 93 81.233 38.119 -22.087 1.00 0.00 N ATOM 1454 CA GLU A 93 80.310 37.089 -22.549 1.00 0.00 C ATOM 1455 C GLU A 93 79.534 36.489 -21.379 1.00 0.00 C ATOM 1456 O GLU A 93 78.391 36.059 -21.533 1.00 0.00 O ATOM 1457 CB GLU A 93 81.069 35.986 -23.290 1.00 0.00 C ATOM 1458 CG GLU A 93 81.719 36.457 -24.580 1.00 0.00 C ATOM 1459 CD GLU A 93 81.328 35.607 -25.774 1.00 0.00 C ATOM 1460 OE1 GLU A 93 80.115 35.481 -26.041 1.00 0.00 O ATOM 1461 OE2 GLU A 93 82.236 35.069 -26.441 1.00 0.00 O ATOM 0 H GLU A 93 82.218 37.864 -22.155 1.00 0.00 H new ATOM 0 HA GLU A 93 79.601 37.555 -23.233 1.00 0.00 H new ATOM 0 HB2 GLU A 93 81.838 35.581 -22.632 1.00 0.00 H new ATOM 0 HB3 GLU A 93 80.381 35.171 -23.516 1.00 0.00 H new ATOM 0 HG2 GLU A 93 81.436 37.493 -24.768 1.00 0.00 H new ATOM 0 HG3 GLU A 93 82.803 36.438 -24.464 1.00 0.00 H new ATOM 1468 N VAL A 94 80.165 36.465 -20.209 1.00 0.00 N ATOM 1469 CA VAL A 94 79.536 35.919 -19.013 1.00 0.00 C ATOM 1470 C VAL A 94 78.552 36.914 -18.407 1.00 0.00 C ATOM 1471 O VAL A 94 77.584 36.525 -17.752 1.00 0.00 O ATOM 1472 CB VAL A 94 80.585 35.539 -17.950 1.00 0.00 C ATOM 1473 CG1 VAL A 94 79.915 34.905 -16.741 1.00 0.00 C ATOM 1474 CG2 VAL A 94 81.629 34.605 -18.543 1.00 0.00 C ATOM 0 H VAL A 94 81.111 36.817 -20.064 1.00 0.00 H new ATOM 0 HA VAL A 94 78.999 35.021 -19.320 1.00 0.00 H new ATOM 0 HB VAL A 94 81.089 36.448 -17.620 1.00 0.00 H new ATOM 0 HG11 VAL A 94 80.672 34.643 -16.001 1.00 0.00 H new ATOM 0 HG12 VAL A 94 79.209 35.611 -16.304 1.00 0.00 H new ATOM 0 HG13 VAL A 94 79.383 34.005 -17.050 1.00 0.00 H new ATOM 0 HG21 VAL A 94 82.362 34.347 -17.779 1.00 0.00 H new ATOM 0 HG22 VAL A 94 81.143 33.697 -18.902 1.00 0.00 H new ATOM 0 HG23 VAL A 94 82.131 35.101 -19.374 1.00 0.00 H new ATOM 1484 N LEU A 95 78.806 38.198 -18.630 1.00 0.00 N ATOM 1485 CA LEU A 95 77.941 39.251 -18.107 1.00 0.00 C ATOM 1486 C LEU A 95 76.766 39.507 -19.045 1.00 0.00 C ATOM 1487 O LEU A 95 75.607 39.463 -18.631 1.00 0.00 O ATOM 1488 CB LEU A 95 78.739 40.540 -17.906 1.00 0.00 C ATOM 1489 CG LEU A 95 79.887 40.469 -16.899 1.00 0.00 C ATOM 1490 CD1 LEU A 95 80.521 41.840 -16.714 1.00 0.00 C ATOM 1491 CD2 LEU A 95 79.395 39.924 -15.566 1.00 0.00 C ATOM 0 H LEU A 95 79.603 38.536 -19.169 1.00 0.00 H new ATOM 0 HA LEU A 95 77.548 38.921 -17.145 1.00 0.00 H new ATOM 0 HB2 LEU A 95 79.146 40.845 -18.870 1.00 0.00 H new ATOM 0 HB3 LEU A 95 78.051 41.323 -17.588 1.00 0.00 H new ATOM 0 HG LEU A 95 80.645 39.790 -17.289 1.00 0.00 H new ATOM 0 HD11 LEU A 95 81.336 41.770 -15.994 1.00 0.00 H new ATOM 0 HD12 LEU A 95 80.910 42.193 -17.669 1.00 0.00 H new ATOM 0 HD13 LEU A 95 79.771 42.541 -16.346 1.00 0.00 H new ATOM 0 HD21 LEU A 95 80.226 39.881 -14.862 1.00 0.00 H new ATOM 0 HD22 LEU A 95 78.618 40.578 -15.170 1.00 0.00 H new ATOM 0 HD23 LEU A 95 78.989 38.923 -15.710 1.00 0.00 H new ATOM 1503 N LEU A 96 77.073 39.773 -20.310 1.00 0.00 N ATOM 1504 CA LEU A 96 76.042 40.034 -21.308 1.00 0.00 C ATOM 1505 C LEU A 96 75.052 38.876 -21.384 1.00 0.00 C ATOM 1506 O LEU A 96 73.843 39.086 -21.491 1.00 0.00 O ATOM 1507 CB LEU A 96 76.679 40.265 -22.680 1.00 0.00 C ATOM 1508 CG LEU A 96 75.722 40.650 -23.808 1.00 0.00 C ATOM 1509 CD1 LEU A 96 75.100 42.011 -23.539 1.00 0.00 C ATOM 1510 CD2 LEU A 96 76.448 40.649 -25.146 1.00 0.00 C ATOM 0 H LEU A 96 78.027 39.814 -20.669 1.00 0.00 H new ATOM 0 HA LEU A 96 75.501 40.932 -21.009 1.00 0.00 H new ATOM 0 HB2 LEU A 96 77.429 41.050 -22.583 1.00 0.00 H new ATOM 0 HB3 LEU A 96 77.205 39.356 -22.972 1.00 0.00 H new ATOM 0 HG LEU A 96 74.923 39.910 -23.849 1.00 0.00 H new ATOM 0 HD11 LEU A 96 74.422 42.268 -24.353 1.00 0.00 H new ATOM 0 HD12 LEU A 96 74.546 41.979 -22.601 1.00 0.00 H new ATOM 0 HD13 LEU A 96 75.886 42.763 -23.470 1.00 0.00 H new ATOM 0 HD21 LEU A 96 75.752 40.925 -25.938 1.00 0.00 H new ATOM 0 HD22 LEU A 96 77.267 41.367 -25.116 1.00 0.00 H new ATOM 0 HD23 LEU A 96 76.846 39.654 -25.343 1.00 0.00 H new ATOM 1522 N SER A 97 75.571 37.654 -21.325 1.00 0.00 N ATOM 1523 CA SER A 97 74.733 36.463 -21.388 1.00 0.00 C ATOM 1524 C SER A 97 73.745 36.432 -20.226 1.00 0.00 C ATOM 1525 O SER A 97 72.587 36.048 -20.390 1.00 0.00 O ATOM 1526 CB SER A 97 75.599 35.202 -21.370 1.00 0.00 C ATOM 1527 OG SER A 97 74.811 34.039 -21.555 1.00 0.00 O ATOM 0 H SER A 97 76.569 37.463 -21.234 1.00 0.00 H new ATOM 0 HA SER A 97 74.170 36.494 -22.321 1.00 0.00 H new ATOM 0 HB2 SER A 97 76.352 35.263 -22.155 1.00 0.00 H new ATOM 0 HB3 SER A 97 76.132 35.137 -20.421 1.00 0.00 H new ATOM 0 HG SER A 97 75.388 33.247 -21.541 1.00 0.00 H new ATOM 1533 N HIS A 98 74.212 36.838 -19.049 1.00 0.00 N ATOM 1534 CA HIS A 98 73.371 36.858 -17.858 1.00 0.00 C ATOM 1535 C HIS A 98 72.300 37.939 -17.967 1.00 0.00 C ATOM 1536 O HIS A 98 71.132 37.704 -17.652 1.00 0.00 O ATOM 1537 CB HIS A 98 74.223 37.091 -16.610 1.00 0.00 C ATOM 1538 CG HIS A 98 73.622 36.524 -15.360 1.00 0.00 C ATOM 1539 ND1 HIS A 98 72.337 36.805 -14.949 1.00 0.00 N ATOM 1540 CD2 HIS A 98 74.139 35.687 -14.431 1.00 0.00 C ATOM 1541 CE1 HIS A 98 72.089 36.166 -13.819 1.00 0.00 C ATOM 1542 NE2 HIS A 98 73.167 35.480 -13.484 1.00 0.00 N ATOM 0 H HIS A 98 75.168 37.157 -18.895 1.00 0.00 H new ATOM 0 HA HIS A 98 72.877 35.890 -17.776 1.00 0.00 H new ATOM 0 HB2 HIS A 98 75.207 36.648 -16.764 1.00 0.00 H new ATOM 0 HB3 HIS A 98 74.373 38.162 -16.478 1.00 0.00 H new ATOM 0 HD2 HIS A 98 75.131 35.261 -14.434 1.00 0.00 H new ATOM 0 HE1 HIS A 98 71.163 36.199 -13.264 1.00 0.00 H new ATOM 0 HE2 HIS A 98 73.262 34.892 -12.656 1.00 0.00 H new ATOM 1550 N LEU A 99 72.704 39.122 -18.413 1.00 0.00 N ATOM 1551 CA LEU A 99 71.779 40.241 -18.563 1.00 0.00 C ATOM 1552 C LEU A 99 70.782 39.975 -19.686 1.00 0.00 C ATOM 1553 O LEU A 99 69.670 40.504 -19.680 1.00 0.00 O ATOM 1554 CB LEU A 99 72.550 41.532 -18.845 1.00 0.00 C ATOM 1555 CG LEU A 99 72.578 42.558 -17.711 1.00 0.00 C ATOM 1556 CD1 LEU A 99 73.165 41.944 -16.450 1.00 0.00 C ATOM 1557 CD2 LEU A 99 73.369 43.790 -18.126 1.00 0.00 C ATOM 0 H LEU A 99 73.666 39.332 -18.678 1.00 0.00 H new ATOM 0 HA LEU A 99 71.227 40.352 -17.630 1.00 0.00 H new ATOM 0 HB2 LEU A 99 73.578 41.270 -19.097 1.00 0.00 H new ATOM 0 HB3 LEU A 99 72.117 42.005 -19.726 1.00 0.00 H new ATOM 0 HG LEU A 99 71.554 42.864 -17.498 1.00 0.00 H new ATOM 0 HD11 LEU A 99 73.177 42.689 -15.654 1.00 0.00 H new ATOM 0 HD12 LEU A 99 72.557 41.094 -16.142 1.00 0.00 H new ATOM 0 HD13 LEU A 99 74.183 41.609 -16.648 1.00 0.00 H new ATOM 0 HD21 LEU A 99 73.378 44.509 -17.307 1.00 0.00 H new ATOM 0 HD22 LEU A 99 74.392 43.501 -18.367 1.00 0.00 H new ATOM 0 HD23 LEU A 99 72.904 44.243 -19.001 1.00 0.00 H new ATOM 1569 N SER A 100 71.186 39.151 -20.648 1.00 0.00 N ATOM 1570 CA SER A 100 70.328 38.817 -21.778 1.00 0.00 C ATOM 1571 C SER A 100 69.433 37.627 -21.447 1.00 0.00 C ATOM 1572 O SER A 100 68.334 37.494 -21.985 1.00 0.00 O ATOM 1573 CB SER A 100 71.175 38.504 -23.013 1.00 0.00 C ATOM 1574 OG SER A 100 71.750 39.684 -23.549 1.00 0.00 O ATOM 0 H SER A 100 72.102 38.703 -20.667 1.00 0.00 H new ATOM 0 HA SER A 100 69.695 39.679 -21.989 1.00 0.00 H new ATOM 0 HB2 SER A 100 71.963 37.799 -22.748 1.00 0.00 H new ATOM 0 HB3 SER A 100 70.556 38.021 -23.769 1.00 0.00 H new ATOM 0 HG SER A 100 72.596 39.873 -23.091 1.00 0.00 H new ATOM 1580 N TYR A 101 69.912 36.763 -20.559 1.00 0.00 N ATOM 1581 CA TYR A 101 69.157 35.582 -20.157 1.00 0.00 C ATOM 1582 C TYR A 101 67.830 35.976 -19.515 1.00 0.00 C ATOM 1583 O TYR A 101 66.834 35.261 -19.632 1.00 0.00 O ATOM 1584 CB TYR A 101 69.977 34.735 -19.182 1.00 0.00 C ATOM 1585 CG TYR A 101 69.200 33.589 -18.575 1.00 0.00 C ATOM 1586 CD1 TYR A 101 69.021 32.399 -19.271 1.00 0.00 C ATOM 1587 CD2 TYR A 101 68.645 33.695 -17.305 1.00 0.00 C ATOM 1588 CE1 TYR A 101 68.311 31.350 -18.720 1.00 0.00 C ATOM 1589 CE2 TYR A 101 67.935 32.650 -16.746 1.00 0.00 C ATOM 1590 CZ TYR A 101 67.770 31.480 -17.458 1.00 0.00 C ATOM 1591 OH TYR A 101 67.064 30.436 -16.906 1.00 0.00 O ATOM 0 H TYR A 101 70.820 36.858 -20.104 1.00 0.00 H new ATOM 0 HA TYR A 101 68.947 34.994 -21.051 1.00 0.00 H new ATOM 0 HB2 TYR A 101 70.848 34.337 -19.703 1.00 0.00 H new ATOM 0 HB3 TYR A 101 70.349 35.375 -18.382 1.00 0.00 H new ATOM 0 HD1 TYR A 101 69.444 32.293 -20.259 1.00 0.00 H new ATOM 0 HD2 TYR A 101 68.771 34.610 -16.746 1.00 0.00 H new ATOM 0 HE1 TYR A 101 68.180 30.433 -19.275 1.00 0.00 H new ATOM 0 HE2 TYR A 101 67.512 32.748 -15.757 1.00 0.00 H new ATOM 0 HH TYR A 101 66.751 30.689 -16.012 1.00 0.00 H new ATOM 1601 N LEU A 102 67.825 37.118 -18.837 1.00 0.00 N ATOM 1602 CA LEU A 102 66.621 37.609 -18.176 1.00 0.00 C ATOM 1603 C LEU A 102 65.628 38.163 -19.193 1.00 0.00 C ATOM 1604 O LEU A 102 64.419 38.158 -18.962 1.00 0.00 O ATOM 1605 CB LEU A 102 66.980 38.692 -17.156 1.00 0.00 C ATOM 1606 CG LEU A 102 67.957 38.278 -16.055 1.00 0.00 C ATOM 1607 CD1 LEU A 102 68.314 39.471 -15.182 1.00 0.00 C ATOM 1608 CD2 LEU A 102 67.368 37.156 -15.213 1.00 0.00 C ATOM 0 H LEU A 102 68.641 37.721 -18.730 1.00 0.00 H new ATOM 0 HA LEU A 102 66.154 36.771 -17.659 1.00 0.00 H new ATOM 0 HB2 LEU A 102 67.405 39.541 -17.691 1.00 0.00 H new ATOM 0 HB3 LEU A 102 66.060 39.040 -16.686 1.00 0.00 H new ATOM 0 HG LEU A 102 68.870 37.912 -16.525 1.00 0.00 H new ATOM 0 HD11 LEU A 102 69.010 39.157 -14.404 1.00 0.00 H new ATOM 0 HD12 LEU A 102 68.778 40.244 -15.794 1.00 0.00 H new ATOM 0 HD13 LEU A 102 67.410 39.868 -14.721 1.00 0.00 H new ATOM 0 HD21 LEU A 102 68.077 36.874 -14.435 1.00 0.00 H new ATOM 0 HD22 LEU A 102 66.440 37.495 -14.753 1.00 0.00 H new ATOM 0 HD23 LEU A 102 67.164 36.293 -15.847 1.00 0.00 H new