USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=16 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 57:sc= -0.42 USER MOD Set 1.2: A 91 ASN : amide:sc= -1.39! C(o=-1.8!,f=-6.1!) USER MOD Set 2.1: A 57 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 98 HIS : no HD1:sc= -0.202 K(o=-0.2,f=-0.96) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0446 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.155 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 45 HIS : no HD1:sc= -4.32! C(o=-4.3!,f=-6.6!) USER MOD Single : A 48 GLN : amide:sc= -0.0776 K(o=-0.078,f=-1.5!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -28:sc= 0.253 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -1.3 K(o=-1.3,f=-2.7) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.0034) USER MOD Single : A 70 MET CE :methyl -175:sc= -0.0638 (180deg=-0.0984) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 CYS SG : rot 180:sc= -0.247 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl -158:sc= -0.416 (180deg=-1.24) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0.014) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 74:sc= 1.27 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 459 N ILE A 33 66.132 38.158 -5.916 1.00 0.00 N ATOM 460 CA ILE A 33 67.368 38.193 -6.687 1.00 0.00 C ATOM 461 C ILE A 33 67.248 39.140 -7.876 1.00 0.00 C ATOM 462 O ILE A 33 68.233 39.739 -8.308 1.00 0.00 O ATOM 463 CB ILE A 33 67.752 36.791 -7.198 1.00 0.00 C ATOM 464 CG1 ILE A 33 69.145 36.819 -7.830 1.00 0.00 C ATOM 465 CG2 ILE A 33 66.720 36.291 -8.198 1.00 0.00 C ATOM 466 CD1 ILE A 33 70.037 35.683 -7.379 1.00 0.00 C ATOM 0 HA ILE A 33 68.148 38.553 -6.017 1.00 0.00 H new ATOM 0 HB ILE A 33 67.771 36.104 -6.352 1.00 0.00 H new ATOM 0 HG12 ILE A 33 69.044 36.782 -8.915 1.00 0.00 H new ATOM 0 HG13 ILE A 33 69.626 37.766 -7.587 1.00 0.00 H new ATOM 0 HG21 ILE A 33 67.005 35.300 -8.550 1.00 0.00 H new ATOM 0 HG22 ILE A 33 65.743 36.238 -7.717 1.00 0.00 H new ATOM 0 HG23 ILE A 33 66.671 36.976 -9.044 1.00 0.00 H new ATOM 0 HD11 ILE A 33 71.008 35.767 -7.867 1.00 0.00 H new ATOM 0 HD12 ILE A 33 70.169 35.731 -6.298 1.00 0.00 H new ATOM 0 HD13 ILE A 33 69.577 34.731 -7.646 1.00 0.00 H new ATOM 478 N VAL A 34 66.034 39.272 -8.400 1.00 0.00 N ATOM 479 CA VAL A 34 65.783 40.149 -9.538 1.00 0.00 C ATOM 480 C VAL A 34 64.339 40.636 -9.549 1.00 0.00 C ATOM 481 O VAL A 34 63.401 39.880 -9.297 1.00 0.00 O ATOM 482 CB VAL A 34 66.084 39.438 -10.871 1.00 0.00 C ATOM 483 CG1 VAL A 34 65.154 39.939 -11.965 1.00 0.00 C ATOM 484 CG2 VAL A 34 67.540 39.637 -11.265 1.00 0.00 C ATOM 0 H VAL A 34 65.208 38.783 -8.055 1.00 0.00 H new ATOM 0 HA VAL A 34 66.450 41.004 -9.432 1.00 0.00 H new ATOM 0 HB VAL A 34 65.910 38.370 -10.740 1.00 0.00 H new ATOM 0 HG11 VAL A 34 65.381 39.426 -12.899 1.00 0.00 H new ATOM 0 HG12 VAL A 34 64.120 39.739 -11.683 1.00 0.00 H new ATOM 0 HG13 VAL A 34 65.293 41.012 -12.098 1.00 0.00 H new ATOM 0 HG21 VAL A 34 67.734 39.128 -12.209 1.00 0.00 H new ATOM 0 HG22 VAL A 34 67.744 40.702 -11.378 1.00 0.00 H new ATOM 0 HG23 VAL A 34 68.186 39.224 -10.490 1.00 0.00 H new ATOM 494 N PRO A 35 64.153 41.930 -9.849 1.00 0.00 N ATOM 495 CA PRO A 35 62.825 42.548 -9.901 1.00 0.00 C ATOM 496 C PRO A 35 62.002 42.054 -11.086 1.00 0.00 C ATOM 497 O PRO A 35 60.841 41.679 -10.934 1.00 0.00 O ATOM 498 CB PRO A 35 63.134 44.040 -10.049 1.00 0.00 C ATOM 499 CG PRO A 35 64.481 44.087 -10.682 1.00 0.00 C ATOM 500 CD PRO A 35 65.226 42.890 -10.160 1.00 0.00 C ATOM 0 HA PRO A 35 62.228 42.308 -9.021 1.00 0.00 H new ATOM 0 HB2 PRO A 35 62.388 44.539 -10.668 1.00 0.00 H new ATOM 0 HB3 PRO A 35 63.133 44.542 -9.082 1.00 0.00 H new ATOM 0 HG2 PRO A 35 64.403 44.054 -11.769 1.00 0.00 H new ATOM 0 HG3 PRO A 35 65.000 45.011 -10.427 1.00 0.00 H new ATOM 0 HD2 PRO A 35 65.918 42.492 -10.902 1.00 0.00 H new ATOM 0 HD3 PRO A 35 65.814 43.136 -9.276 1.00 0.00 H new ATOM 508 N ALA A 36 62.613 42.058 -12.267 1.00 0.00 N ATOM 509 CA ALA A 36 61.937 41.608 -13.477 1.00 0.00 C ATOM 510 C ALA A 36 62.869 41.672 -14.682 1.00 0.00 C ATOM 511 O ALA A 36 63.365 40.647 -15.151 1.00 0.00 O ATOM 512 CB ALA A 36 60.690 42.443 -13.727 1.00 0.00 C ATOM 0 H ALA A 36 63.574 42.368 -12.411 1.00 0.00 H new ATOM 0 HA ALA A 36 61.642 40.569 -13.333 1.00 0.00 H new ATOM 0 HB1 ALA A 36 60.195 42.096 -14.634 1.00 0.00 H new ATOM 0 HB2 ALA A 36 60.010 42.343 -12.881 1.00 0.00 H new ATOM 0 HB3 ALA A 36 60.971 43.490 -13.845 1.00 0.00 H new ATOM 518 N ASP A 37 63.101 42.881 -15.180 1.00 0.00 N ATOM 519 CA ASP A 37 63.974 43.079 -16.332 1.00 0.00 C ATOM 520 C ASP A 37 65.184 43.930 -15.957 1.00 0.00 C ATOM 521 O ASP A 37 65.185 44.644 -14.954 1.00 0.00 O ATOM 522 CB ASP A 37 63.204 43.742 -17.475 1.00 0.00 C ATOM 523 CG ASP A 37 62.735 42.742 -18.513 1.00 0.00 C ATOM 524 OD1 ASP A 37 62.336 41.624 -18.123 1.00 0.00 O ATOM 525 OD2 ASP A 37 62.766 43.077 -19.716 1.00 0.00 O ATOM 0 H ASP A 37 62.697 43.739 -14.805 1.00 0.00 H new ATOM 0 HA ASP A 37 64.327 42.102 -16.661 1.00 0.00 H new ATOM 0 HB2 ASP A 37 62.342 44.272 -17.069 1.00 0.00 H new ATOM 0 HB3 ASP A 37 63.840 44.487 -17.954 1.00 0.00 H new ATOM 530 N PRO A 38 66.240 43.853 -16.780 1.00 0.00 N ATOM 531 CA PRO A 38 67.476 44.608 -16.555 1.00 0.00 C ATOM 532 C PRO A 38 67.289 46.105 -16.777 1.00 0.00 C ATOM 533 O PRO A 38 68.113 46.915 -16.350 1.00 0.00 O ATOM 534 CB PRO A 38 68.439 44.030 -17.594 1.00 0.00 C ATOM 535 CG PRO A 38 67.560 43.504 -18.676 1.00 0.00 C ATOM 536 CD PRO A 38 66.309 43.022 -17.994 1.00 0.00 C ATOM 0 HA PRO A 38 67.829 44.515 -15.528 1.00 0.00 H new ATOM 0 HB2 PRO A 38 69.118 44.794 -17.972 1.00 0.00 H new ATOM 0 HB3 PRO A 38 69.055 43.240 -17.166 1.00 0.00 H new ATOM 0 HG2 PRO A 38 67.332 44.281 -19.406 1.00 0.00 H new ATOM 0 HG3 PRO A 38 68.048 42.692 -19.216 1.00 0.00 H new ATOM 0 HD2 PRO A 38 65.430 43.158 -18.624 1.00 0.00 H new ATOM 0 HD3 PRO A 38 66.367 41.961 -17.752 1.00 0.00 H new ATOM 544 N THR A 39 66.200 46.468 -17.448 1.00 0.00 N ATOM 545 CA THR A 39 65.905 47.867 -17.727 1.00 0.00 C ATOM 546 C THR A 39 65.385 48.578 -16.483 1.00 0.00 C ATOM 547 O THR A 39 65.681 49.752 -16.256 1.00 0.00 O ATOM 548 CB THR A 39 64.867 48.008 -18.857 1.00 0.00 C ATOM 549 OG1 THR A 39 63.886 46.971 -18.753 1.00 0.00 O ATOM 550 CG2 THR A 39 65.540 47.943 -20.220 1.00 0.00 C ATOM 0 H THR A 39 65.508 45.811 -17.808 1.00 0.00 H new ATOM 0 HA THR A 39 66.840 48.330 -18.043 1.00 0.00 H new ATOM 0 HB THR A 39 64.381 48.978 -18.756 1.00 0.00 H new ATOM 0 HG1 THR A 39 63.229 47.069 -19.474 1.00 0.00 H new ATOM 0 HG21 THR A 39 64.788 48.045 -21.002 1.00 0.00 H new ATOM 0 HG22 THR A 39 66.265 48.752 -20.307 1.00 0.00 H new ATOM 0 HG23 THR A 39 66.050 46.986 -20.329 1.00 0.00 H new ATOM 558 N LEU A 40 64.608 47.861 -15.679 1.00 0.00 N ATOM 559 CA LEU A 40 64.046 48.424 -14.456 1.00 0.00 C ATOM 560 C LEU A 40 64.834 47.964 -13.233 1.00 0.00 C ATOM 561 O LEU A 40 64.264 47.436 -12.278 1.00 0.00 O ATOM 562 CB LEU A 40 62.578 48.019 -14.312 1.00 0.00 C ATOM 563 CG LEU A 40 61.691 48.268 -15.532 1.00 0.00 C ATOM 564 CD1 LEU A 40 60.273 47.786 -15.269 1.00 0.00 C ATOM 565 CD2 LEU A 40 61.694 49.744 -15.902 1.00 0.00 C ATOM 0 H LEU A 40 64.353 46.889 -15.852 1.00 0.00 H new ATOM 0 HA LEU A 40 64.112 49.510 -14.521 1.00 0.00 H new ATOM 0 HB2 LEU A 40 62.537 46.957 -14.068 1.00 0.00 H new ATOM 0 HB3 LEU A 40 62.155 48.557 -13.464 1.00 0.00 H new ATOM 0 HG LEU A 40 62.095 47.703 -16.372 1.00 0.00 H new ATOM 0 HD11 LEU A 40 59.657 47.972 -16.149 1.00 0.00 H new ATOM 0 HD12 LEU A 40 60.286 46.718 -15.054 1.00 0.00 H new ATOM 0 HD13 LEU A 40 59.859 48.323 -14.416 1.00 0.00 H new ATOM 0 HD21 LEU A 40 61.057 49.902 -16.772 1.00 0.00 H new ATOM 0 HD22 LEU A 40 61.316 50.330 -15.064 1.00 0.00 H new ATOM 0 HD23 LEU A 40 62.711 50.059 -16.135 1.00 0.00 H new ATOM 577 N TRP A 41 66.145 48.171 -13.269 1.00 0.00 N ATOM 578 CA TRP A 41 67.011 47.779 -12.162 1.00 0.00 C ATOM 579 C TRP A 41 67.369 48.984 -11.299 1.00 0.00 C ATOM 580 O TRP A 41 67.151 50.131 -11.694 1.00 0.00 O ATOM 581 CB TRP A 41 68.285 47.120 -12.693 1.00 0.00 C ATOM 582 CG TRP A 41 68.236 45.622 -12.662 1.00 0.00 C ATOM 583 CD1 TRP A 41 67.121 44.837 -12.733 1.00 0.00 C ATOM 584 CD2 TRP A 41 69.350 44.730 -12.549 1.00 0.00 C ATOM 585 NE1 TRP A 41 67.475 43.511 -12.672 1.00 0.00 N ATOM 586 CE2 TRP A 41 68.837 43.419 -12.559 1.00 0.00 C ATOM 587 CE3 TRP A 41 70.732 44.912 -12.442 1.00 0.00 C ATOM 588 CZ2 TRP A 41 69.657 42.298 -12.466 1.00 0.00 C ATOM 589 CZ3 TRP A 41 71.545 43.798 -12.349 1.00 0.00 C ATOM 590 CH2 TRP A 41 71.006 42.505 -12.362 1.00 0.00 C ATOM 0 H TRP A 41 66.632 48.608 -14.052 1.00 0.00 H new ATOM 0 HA TRP A 41 66.469 47.062 -11.545 1.00 0.00 H new ATOM 0 HB2 TRP A 41 68.456 47.450 -13.718 1.00 0.00 H new ATOM 0 HB3 TRP A 41 69.135 47.461 -12.102 1.00 0.00 H new ATOM 0 HD1 TRP A 41 66.110 45.205 -12.824 1.00 0.00 H new ATOM 0 HE1 TRP A 41 66.828 42.723 -12.705 1.00 0.00 H new ATOM 0 HE3 TRP A 41 71.157 45.905 -12.432 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 69.243 41.300 -12.476 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 72.614 43.927 -12.265 1.00 0.00 H new ATOM 0 HH2 TRP A 41 71.668 41.655 -12.289 1.00 0.00 H new ATOM 601 N THR A 42 67.920 48.719 -10.119 1.00 0.00 N ATOM 602 CA THR A 42 68.308 49.781 -9.200 1.00 0.00 C ATOM 603 C THR A 42 69.786 49.686 -8.840 1.00 0.00 C ATOM 604 O THR A 42 70.441 48.687 -9.135 1.00 0.00 O ATOM 605 CB THR A 42 67.472 49.738 -7.906 1.00 0.00 C ATOM 606 OG1 THR A 42 67.756 50.887 -7.101 1.00 0.00 O ATOM 607 CG2 THR A 42 67.767 48.472 -7.115 1.00 0.00 C ATOM 0 H THR A 42 68.108 47.777 -9.777 1.00 0.00 H new ATOM 0 HA THR A 42 68.123 50.725 -9.713 1.00 0.00 H new ATOM 0 HB THR A 42 66.417 49.740 -8.180 1.00 0.00 H new ATOM 0 HG1 THR A 42 67.220 50.853 -6.282 1.00 0.00 H new ATOM 0 HG21 THR A 42 67.166 48.463 -6.206 1.00 0.00 H new ATOM 0 HG22 THR A 42 67.522 47.599 -7.721 1.00 0.00 H new ATOM 0 HG23 THR A 42 68.824 48.446 -6.851 1.00 0.00 H new ATOM 615 N GLN A 43 70.304 50.730 -8.201 1.00 0.00 N ATOM 616 CA GLN A 43 71.705 50.762 -7.802 1.00 0.00 C ATOM 617 C GLN A 43 72.047 49.567 -6.918 1.00 0.00 C ATOM 618 O GLN A 43 73.192 49.119 -6.880 1.00 0.00 O ATOM 619 CB GLN A 43 72.017 52.064 -7.062 1.00 0.00 C ATOM 620 CG GLN A 43 71.140 52.295 -5.841 1.00 0.00 C ATOM 621 CD GLN A 43 71.408 53.630 -5.174 1.00 0.00 C ATOM 622 OE1 GLN A 43 71.452 54.669 -5.834 1.00 0.00 O ATOM 623 NE2 GLN A 43 71.589 53.608 -3.859 1.00 0.00 N ATOM 0 H GLN A 43 69.774 51.564 -7.949 1.00 0.00 H new ATOM 0 HA GLN A 43 72.314 50.710 -8.704 1.00 0.00 H new ATOM 0 HB2 GLN A 43 73.062 52.055 -6.752 1.00 0.00 H new ATOM 0 HB3 GLN A 43 71.896 52.901 -7.750 1.00 0.00 H new ATOM 0 HG2 GLN A 43 70.092 52.245 -6.136 1.00 0.00 H new ATOM 0 HG3 GLN A 43 71.307 51.494 -5.121 1.00 0.00 H new ATOM 0 HE21 GLN A 43 71.544 52.724 -3.353 1.00 0.00 H new ATOM 0 HE22 GLN A 43 71.773 54.475 -3.355 1.00 0.00 H new ATOM 632 N GLU A 44 71.045 49.056 -6.209 1.00 0.00 N ATOM 633 CA GLU A 44 71.241 47.913 -5.324 1.00 0.00 C ATOM 634 C GLU A 44 71.364 46.620 -6.125 1.00 0.00 C ATOM 635 O GLU A 44 72.011 45.667 -5.691 1.00 0.00 O ATOM 636 CB GLU A 44 70.082 47.803 -4.332 1.00 0.00 C ATOM 637 CG GLU A 44 70.529 47.623 -2.891 1.00 0.00 C ATOM 638 CD GLU A 44 69.842 48.586 -1.943 1.00 0.00 C ATOM 639 OE1 GLU A 44 68.648 48.882 -2.158 1.00 0.00 O ATOM 640 OE2 GLU A 44 70.499 49.044 -0.985 1.00 0.00 O ATOM 0 H GLU A 44 70.090 49.415 -6.230 1.00 0.00 H new ATOM 0 HA GLU A 44 72.168 48.068 -4.772 1.00 0.00 H new ATOM 0 HB2 GLU A 44 69.467 48.700 -4.403 1.00 0.00 H new ATOM 0 HB3 GLU A 44 69.451 46.961 -4.616 1.00 0.00 H new ATOM 0 HG2 GLU A 44 70.324 46.600 -2.576 1.00 0.00 H new ATOM 0 HG3 GLU A 44 71.608 47.765 -2.829 1.00 0.00 H new ATOM 647 N HIS A 45 70.739 46.595 -7.298 1.00 0.00 N ATOM 648 CA HIS A 45 70.777 45.420 -8.161 1.00 0.00 C ATOM 649 C HIS A 45 72.009 45.448 -9.061 1.00 0.00 C ATOM 650 O HIS A 45 72.504 44.403 -9.485 1.00 0.00 O ATOM 651 CB HIS A 45 69.510 45.344 -9.013 1.00 0.00 C ATOM 652 CG HIS A 45 68.311 44.857 -8.260 1.00 0.00 C ATOM 653 ND1 HIS A 45 67.151 45.593 -8.134 1.00 0.00 N ATOM 654 CD2 HIS A 45 68.094 43.700 -7.592 1.00 0.00 C ATOM 655 CE1 HIS A 45 66.274 44.910 -7.421 1.00 0.00 C ATOM 656 NE2 HIS A 45 66.822 43.757 -7.080 1.00 0.00 N ATOM 0 H HIS A 45 70.200 47.376 -7.673 1.00 0.00 H new ATOM 0 HA HIS A 45 70.831 44.535 -7.527 1.00 0.00 H new ATOM 0 HB2 HIS A 45 69.296 46.332 -9.421 1.00 0.00 H new ATOM 0 HB3 HIS A 45 69.691 44.682 -9.860 1.00 0.00 H new ATOM 0 HD2 HIS A 45 68.792 42.883 -7.482 1.00 0.00 H new ATOM 0 HE1 HIS A 45 65.278 45.238 -7.161 1.00 0.00 H new ATOM 0 HE2 HIS A 45 66.373 43.028 -6.526 1.00 0.00 H new ATOM 664 N VAL A 46 72.498 46.649 -9.350 1.00 0.00 N ATOM 665 CA VAL A 46 73.672 46.813 -10.199 1.00 0.00 C ATOM 666 C VAL A 46 74.948 46.440 -9.452 1.00 0.00 C ATOM 667 O VAL A 46 75.925 45.995 -10.055 1.00 0.00 O ATOM 668 CB VAL A 46 73.795 48.259 -10.713 1.00 0.00 C ATOM 669 CG1 VAL A 46 74.997 48.398 -11.635 1.00 0.00 C ATOM 670 CG2 VAL A 46 72.518 48.683 -11.422 1.00 0.00 C ATOM 0 H VAL A 46 72.099 47.524 -9.009 1.00 0.00 H new ATOM 0 HA VAL A 46 73.544 46.143 -11.049 1.00 0.00 H new ATOM 0 HB VAL A 46 73.945 48.918 -9.858 1.00 0.00 H new ATOM 0 HG11 VAL A 46 75.068 49.427 -11.988 1.00 0.00 H new ATOM 0 HG12 VAL A 46 75.905 48.138 -11.091 1.00 0.00 H new ATOM 0 HG13 VAL A 46 74.881 47.729 -12.488 1.00 0.00 H new ATOM 0 HG21 VAL A 46 72.623 49.708 -11.779 1.00 0.00 H new ATOM 0 HG22 VAL A 46 72.335 48.021 -12.268 1.00 0.00 H new ATOM 0 HG23 VAL A 46 71.680 48.625 -10.728 1.00 0.00 H new ATOM 680 N ARG A 47 74.931 46.624 -8.136 1.00 0.00 N ATOM 681 CA ARG A 47 76.087 46.308 -7.306 1.00 0.00 C ATOM 682 C ARG A 47 76.024 44.866 -6.812 1.00 0.00 C ATOM 683 O ARG A 47 76.991 44.115 -6.936 1.00 0.00 O ATOM 684 CB ARG A 47 76.162 47.264 -6.113 1.00 0.00 C ATOM 685 CG ARG A 47 77.543 47.860 -5.896 1.00 0.00 C ATOM 686 CD ARG A 47 77.521 48.944 -4.831 1.00 0.00 C ATOM 687 NE ARG A 47 78.856 49.468 -4.554 1.00 0.00 N ATOM 688 CZ ARG A 47 79.793 48.785 -3.906 1.00 0.00 C ATOM 689 NH1 ARG A 47 79.542 47.558 -3.470 1.00 0.00 N ATOM 690 NH2 ARG A 47 80.984 49.329 -3.692 1.00 0.00 N ATOM 0 H ARG A 47 74.130 46.990 -7.622 1.00 0.00 H new ATOM 0 HA ARG A 47 76.983 46.427 -7.915 1.00 0.00 H new ATOM 0 HB2 ARG A 47 75.446 48.072 -6.260 1.00 0.00 H new ATOM 0 HB3 ARG A 47 75.860 46.731 -5.212 1.00 0.00 H new ATOM 0 HG2 ARG A 47 78.238 47.073 -5.602 1.00 0.00 H new ATOM 0 HG3 ARG A 47 77.912 48.277 -6.833 1.00 0.00 H new ATOM 0 HD2 ARG A 47 76.873 49.758 -5.156 1.00 0.00 H new ATOM 0 HD3 ARG A 47 77.092 48.542 -3.913 1.00 0.00 H new ATOM 0 HE ARG A 47 79.081 50.409 -4.876 1.00 0.00 H new ATOM 0 HH11 ARG A 47 78.627 47.136 -3.632 1.00 0.00 H new ATOM 0 HH12 ARG A 47 80.263 47.036 -2.973 1.00 0.00 H new ATOM 0 HH21 ARG A 47 81.181 50.273 -4.025 1.00 0.00 H new ATOM 0 HH22 ARG A 47 81.703 48.804 -3.194 1.00 0.00 H new ATOM 704 N GLN A 48 74.880 44.487 -6.253 1.00 0.00 N ATOM 705 CA GLN A 48 74.691 43.135 -5.739 1.00 0.00 C ATOM 706 C GLN A 48 74.965 42.098 -6.824 1.00 0.00 C ATOM 707 O GLN A 48 75.705 41.139 -6.606 1.00 0.00 O ATOM 708 CB GLN A 48 73.270 42.965 -5.201 1.00 0.00 C ATOM 709 CG GLN A 48 73.051 43.615 -3.844 1.00 0.00 C ATOM 710 CD GLN A 48 73.573 42.767 -2.700 1.00 0.00 C ATOM 711 OE1 GLN A 48 73.630 41.541 -2.797 1.00 0.00 O ATOM 712 NE2 GLN A 48 73.958 43.418 -1.609 1.00 0.00 N ATOM 0 H GLN A 48 74.070 45.097 -6.144 1.00 0.00 H new ATOM 0 HA GLN A 48 75.400 42.980 -4.926 1.00 0.00 H new ATOM 0 HB2 GLN A 48 72.566 43.391 -5.916 1.00 0.00 H new ATOM 0 HB3 GLN A 48 73.044 41.901 -5.126 1.00 0.00 H new ATOM 0 HG2 GLN A 48 73.545 44.586 -3.826 1.00 0.00 H new ATOM 0 HG3 GLN A 48 71.986 43.797 -3.700 1.00 0.00 H new ATOM 0 HE21 GLN A 48 73.893 44.435 -1.573 1.00 0.00 H new ATOM 0 HE22 GLN A 48 74.319 42.901 -0.807 1.00 0.00 H new ATOM 721 N TRP A 49 74.363 42.298 -7.991 1.00 0.00 N ATOM 722 CA TRP A 49 74.542 41.379 -9.109 1.00 0.00 C ATOM 723 C TRP A 49 76.022 41.142 -9.388 1.00 0.00 C ATOM 724 O TRP A 49 76.465 40.000 -9.517 1.00 0.00 O ATOM 725 CB TRP A 49 73.856 41.928 -10.361 1.00 0.00 C ATOM 726 CG TRP A 49 74.140 41.125 -11.595 1.00 0.00 C ATOM 727 CD1 TRP A 49 73.758 39.837 -11.840 1.00 0.00 C ATOM 728 CD2 TRP A 49 74.869 41.557 -12.749 1.00 0.00 C ATOM 729 NE1 TRP A 49 74.205 39.442 -13.078 1.00 0.00 N ATOM 730 CE2 TRP A 49 74.889 40.479 -13.656 1.00 0.00 C ATOM 731 CE3 TRP A 49 75.504 42.749 -13.106 1.00 0.00 C ATOM 732 CZ2 TRP A 49 75.520 40.560 -14.894 1.00 0.00 C ATOM 733 CZ3 TRP A 49 76.131 42.828 -14.335 1.00 0.00 C ATOM 734 CH2 TRP A 49 76.134 41.739 -15.218 1.00 0.00 C ATOM 0 H TRP A 49 73.747 43.087 -8.187 1.00 0.00 H new ATOM 0 HA TRP A 49 74.085 40.426 -8.841 1.00 0.00 H new ATOM 0 HB2 TRP A 49 72.779 41.956 -10.194 1.00 0.00 H new ATOM 0 HB3 TRP A 49 74.180 42.956 -10.523 1.00 0.00 H new ATOM 0 HD1 TRP A 49 73.189 39.220 -11.161 1.00 0.00 H new ATOM 0 HE1 TRP A 49 74.052 38.525 -13.498 1.00 0.00 H new ATOM 0 HE3 TRP A 49 75.505 43.594 -12.433 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 75.525 39.722 -15.575 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 76.627 43.744 -14.620 1.00 0.00 H new ATOM 0 HH2 TRP A 49 76.631 41.833 -16.172 1.00 0.00 H new ATOM 745 N LEU A 50 76.783 42.227 -9.480 1.00 0.00 N ATOM 746 CA LEU A 50 78.215 42.136 -9.743 1.00 0.00 C ATOM 747 C LEU A 50 78.908 41.271 -8.695 1.00 0.00 C ATOM 748 O LEU A 50 79.675 40.369 -9.030 1.00 0.00 O ATOM 749 CB LEU A 50 78.840 43.533 -9.762 1.00 0.00 C ATOM 750 CG LEU A 50 80.023 43.726 -10.711 1.00 0.00 C ATOM 751 CD1 LEU A 50 79.534 44.026 -12.120 1.00 0.00 C ATOM 752 CD2 LEU A 50 80.931 44.840 -10.211 1.00 0.00 C ATOM 0 H LEU A 50 76.433 43.179 -9.376 1.00 0.00 H new ATOM 0 HA LEU A 50 78.351 41.670 -10.719 1.00 0.00 H new ATOM 0 HB2 LEU A 50 78.065 44.252 -10.028 1.00 0.00 H new ATOM 0 HB3 LEU A 50 79.167 43.777 -8.751 1.00 0.00 H new ATOM 0 HG LEU A 50 80.598 42.800 -10.738 1.00 0.00 H new ATOM 0 HD11 LEU A 50 80.390 44.160 -12.781 1.00 0.00 H new ATOM 0 HD12 LEU A 50 78.925 43.196 -12.478 1.00 0.00 H new ATOM 0 HD13 LEU A 50 78.936 44.937 -12.111 1.00 0.00 H new ATOM 0 HD21 LEU A 50 81.768 44.964 -10.899 1.00 0.00 H new ATOM 0 HD22 LEU A 50 80.367 45.771 -10.154 1.00 0.00 H new ATOM 0 HD23 LEU A 50 81.309 44.584 -9.221 1.00 0.00 H new ATOM 764 N GLU A 51 78.631 41.552 -7.426 1.00 0.00 N ATOM 765 CA GLU A 51 79.227 40.798 -6.329 1.00 0.00 C ATOM 766 C GLU A 51 78.799 39.334 -6.380 1.00 0.00 C ATOM 767 O GLU A 51 79.513 38.452 -5.902 1.00 0.00 O ATOM 768 CB GLU A 51 78.829 41.410 -4.984 1.00 0.00 C ATOM 769 CG GLU A 51 79.873 42.355 -4.413 1.00 0.00 C ATOM 770 CD GLU A 51 79.954 42.289 -2.900 1.00 0.00 C ATOM 771 OE1 GLU A 51 79.075 42.872 -2.232 1.00 0.00 O ATOM 772 OE2 GLU A 51 80.897 41.652 -2.385 1.00 0.00 O ATOM 0 H GLU A 51 77.998 42.296 -7.132 1.00 0.00 H new ATOM 0 HA GLU A 51 80.311 40.846 -6.436 1.00 0.00 H new ATOM 0 HB2 GLU A 51 77.889 41.949 -5.104 1.00 0.00 H new ATOM 0 HB3 GLU A 51 78.647 40.608 -4.269 1.00 0.00 H new ATOM 0 HG2 GLU A 51 80.848 42.112 -4.836 1.00 0.00 H new ATOM 0 HG3 GLU A 51 79.639 43.375 -4.716 1.00 0.00 H new ATOM 779 N TRP A 52 77.632 39.085 -6.962 1.00 0.00 N ATOM 780 CA TRP A 52 77.108 37.728 -7.075 1.00 0.00 C ATOM 781 C TRP A 52 77.801 36.970 -8.201 1.00 0.00 C ATOM 782 O TRP A 52 78.400 35.918 -7.977 1.00 0.00 O ATOM 783 CB TRP A 52 75.599 37.761 -7.318 1.00 0.00 C ATOM 784 CG TRP A 52 74.979 36.398 -7.385 1.00 0.00 C ATOM 785 CD1 TRP A 52 74.560 35.635 -6.332 1.00 0.00 C ATOM 786 CD2 TRP A 52 74.709 35.636 -8.567 1.00 0.00 C ATOM 787 NE1 TRP A 52 74.047 34.445 -6.788 1.00 0.00 N ATOM 788 CE2 TRP A 52 74.126 34.421 -8.156 1.00 0.00 C ATOM 789 CE3 TRP A 52 74.902 35.862 -9.932 1.00 0.00 C ATOM 790 CZ2 TRP A 52 73.737 33.439 -9.062 1.00 0.00 C ATOM 791 CZ3 TRP A 52 74.515 34.886 -10.830 1.00 0.00 C ATOM 792 CH2 TRP A 52 73.937 33.687 -10.393 1.00 0.00 C ATOM 0 H TRP A 52 77.030 39.804 -7.363 1.00 0.00 H new ATOM 0 HA TRP A 52 77.306 37.209 -6.137 1.00 0.00 H new ATOM 0 HB2 TRP A 52 75.122 38.331 -6.520 1.00 0.00 H new ATOM 0 HB3 TRP A 52 75.400 38.289 -8.250 1.00 0.00 H new ATOM 0 HD1 TRP A 52 74.623 35.925 -5.294 1.00 0.00 H new ATOM 0 HE1 TRP A 52 73.669 33.700 -6.203 1.00 0.00 H new ATOM 0 HE3 TRP A 52 75.346 36.783 -10.279 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 73.293 32.514 -8.727 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 74.661 35.050 -11.887 1.00 0.00 H new ATOM 0 HH2 TRP A 52 73.644 32.944 -11.120 1.00 0.00 H new ATOM 803 N ALA A 53 77.716 37.510 -9.412 1.00 0.00 N ATOM 804 CA ALA A 53 78.337 36.884 -10.573 1.00 0.00 C ATOM 805 C ALA A 53 79.809 36.585 -10.313 1.00 0.00 C ATOM 806 O ALA A 53 80.263 35.454 -10.490 1.00 0.00 O ATOM 807 CB ALA A 53 78.185 37.775 -11.797 1.00 0.00 C ATOM 0 H ALA A 53 77.223 38.380 -9.615 1.00 0.00 H new ATOM 0 HA ALA A 53 77.829 35.938 -10.761 1.00 0.00 H new ATOM 0 HB1 ALA A 53 78.653 37.295 -12.657 1.00 0.00 H new ATOM 0 HB2 ALA A 53 77.126 37.934 -12.002 1.00 0.00 H new ATOM 0 HB3 ALA A 53 78.666 38.735 -11.610 1.00 0.00 H new ATOM 813 N ILE A 54 80.551 37.605 -9.894 1.00 0.00 N ATOM 814 CA ILE A 54 81.972 37.450 -9.610 1.00 0.00 C ATOM 815 C ILE A 54 82.211 36.341 -8.591 1.00 0.00 C ATOM 816 O ILE A 54 83.282 35.734 -8.556 1.00 0.00 O ATOM 817 CB ILE A 54 82.586 38.759 -9.080 1.00 0.00 C ATOM 818 CG1 ILE A 54 82.392 39.887 -10.096 1.00 0.00 C ATOM 819 CG2 ILE A 54 84.063 38.565 -8.773 1.00 0.00 C ATOM 820 CD1 ILE A 54 82.610 41.267 -9.517 1.00 0.00 C ATOM 0 H ILE A 54 80.191 38.548 -9.744 1.00 0.00 H new ATOM 0 HA ILE A 54 82.455 37.186 -10.551 1.00 0.00 H new ATOM 0 HB ILE A 54 82.076 39.034 -8.157 1.00 0.00 H new ATOM 0 HG12 ILE A 54 83.081 39.738 -10.928 1.00 0.00 H new ATOM 0 HG13 ILE A 54 81.383 39.828 -10.503 1.00 0.00 H new ATOM 0 HG21 ILE A 54 84.483 39.499 -8.399 1.00 0.00 H new ATOM 0 HG22 ILE A 54 84.179 37.787 -8.018 1.00 0.00 H new ATOM 0 HG23 ILE A 54 84.588 38.269 -9.681 1.00 0.00 H new ATOM 0 HD11 ILE A 54 82.456 42.016 -10.294 1.00 0.00 H new ATOM 0 HD12 ILE A 54 81.904 41.436 -8.704 1.00 0.00 H new ATOM 0 HD13 ILE A 54 83.628 41.345 -9.135 1.00 0.00 H new ATOM 832 N LYS A 55 81.205 36.079 -7.763 1.00 0.00 N ATOM 833 CA LYS A 55 81.303 35.041 -6.744 1.00 0.00 C ATOM 834 C LYS A 55 80.981 33.670 -7.331 1.00 0.00 C ATOM 835 O LYS A 55 81.815 32.765 -7.310 1.00 0.00 O ATOM 836 CB LYS A 55 80.354 35.345 -5.583 1.00 0.00 C ATOM 837 CG LYS A 55 81.058 35.862 -4.340 1.00 0.00 C ATOM 838 CD LYS A 55 81.829 34.758 -3.637 1.00 0.00 C ATOM 839 CE LYS A 55 80.893 33.757 -2.978 1.00 0.00 C ATOM 840 NZ LYS A 55 81.610 32.879 -2.012 1.00 0.00 N ATOM 0 H LYS A 55 80.312 36.572 -7.778 1.00 0.00 H new ATOM 0 HA LYS A 55 82.328 35.027 -6.373 1.00 0.00 H new ATOM 0 HB2 LYS A 55 79.621 36.083 -5.908 1.00 0.00 H new ATOM 0 HB3 LYS A 55 79.804 34.439 -5.328 1.00 0.00 H new ATOM 0 HG2 LYS A 55 81.741 36.666 -4.615 1.00 0.00 H new ATOM 0 HG3 LYS A 55 80.324 36.288 -3.655 1.00 0.00 H new ATOM 0 HD2 LYS A 55 82.466 34.243 -4.356 1.00 0.00 H new ATOM 0 HD3 LYS A 55 82.486 35.194 -2.884 1.00 0.00 H new ATOM 0 HE2 LYS A 55 80.096 34.291 -2.461 1.00 0.00 H new ATOM 0 HE3 LYS A 55 80.420 33.143 -3.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 80.937 32.211 -1.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 82.354 32.350 -2.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 82.040 33.462 -1.266 1.00 0.00 H new ATOM 854 N GLU A 56 79.769 33.526 -7.856 1.00 0.00 N ATOM 855 CA GLU A 56 79.339 32.266 -8.450 1.00 0.00 C ATOM 856 C GLU A 56 80.256 31.867 -9.603 1.00 0.00 C ATOM 857 O GLU A 56 80.925 30.835 -9.549 1.00 0.00 O ATOM 858 CB GLU A 56 77.896 32.376 -8.947 1.00 0.00 C ATOM 859 CG GLU A 56 77.150 31.052 -8.949 1.00 0.00 C ATOM 860 CD GLU A 56 77.914 29.953 -9.661 1.00 0.00 C ATOM 861 OE1 GLU A 56 78.742 29.287 -9.005 1.00 0.00 O ATOM 862 OE2 GLU A 56 77.685 29.759 -10.873 1.00 0.00 O ATOM 0 H GLU A 56 79.067 34.266 -7.882 1.00 0.00 H new ATOM 0 HA GLU A 56 79.393 31.495 -7.681 1.00 0.00 H new ATOM 0 HB2 GLU A 56 77.358 33.086 -8.319 1.00 0.00 H new ATOM 0 HB3 GLU A 56 77.899 32.783 -9.958 1.00 0.00 H new ATOM 0 HG2 GLU A 56 76.956 30.747 -7.921 1.00 0.00 H new ATOM 0 HG3 GLU A 56 76.181 31.186 -9.430 1.00 0.00 H new ATOM 869 N TYR A 57 80.281 32.691 -10.644 1.00 0.00 N ATOM 870 CA TYR A 57 81.113 32.424 -11.811 1.00 0.00 C ATOM 871 C TYR A 57 82.589 32.383 -11.430 1.00 0.00 C ATOM 872 O TYR A 57 83.395 31.729 -12.092 1.00 0.00 O ATOM 873 CB TYR A 57 80.881 33.490 -12.883 1.00 0.00 C ATOM 874 CG TYR A 57 79.513 33.419 -13.523 1.00 0.00 C ATOM 875 CD1 TYR A 57 78.403 33.974 -12.899 1.00 0.00 C ATOM 876 CD2 TYR A 57 79.331 32.796 -14.752 1.00 0.00 C ATOM 877 CE1 TYR A 57 77.151 33.910 -13.480 1.00 0.00 C ATOM 878 CE2 TYR A 57 78.083 32.729 -15.341 1.00 0.00 C ATOM 879 CZ TYR A 57 76.996 33.287 -14.700 1.00 0.00 C ATOM 880 OH TYR A 57 75.751 33.223 -15.283 1.00 0.00 O ATOM 0 H TYR A 57 79.734 33.550 -10.704 1.00 0.00 H new ATOM 0 HA TYR A 57 80.833 31.449 -12.210 1.00 0.00 H new ATOM 0 HB2 TYR A 57 81.013 34.476 -12.437 1.00 0.00 H new ATOM 0 HB3 TYR A 57 81.641 33.386 -13.657 1.00 0.00 H new ATOM 0 HD1 TYR A 57 78.521 34.464 -11.944 1.00 0.00 H new ATOM 0 HD2 TYR A 57 80.180 32.357 -15.255 1.00 0.00 H new ATOM 0 HE1 TYR A 57 76.298 34.346 -12.981 1.00 0.00 H new ATOM 0 HE2 TYR A 57 77.959 32.243 -16.297 1.00 0.00 H new ATOM 0 HH TYR A 57 75.815 32.752 -16.140 1.00 0.00 H new ATOM 890 N SER A 58 82.936 33.085 -10.356 1.00 0.00 N ATOM 891 CA SER A 58 84.316 33.132 -9.886 1.00 0.00 C ATOM 892 C SER A 58 85.223 33.776 -10.930 1.00 0.00 C ATOM 893 O SER A 58 86.212 33.182 -11.361 1.00 0.00 O ATOM 894 CB SER A 58 84.814 31.723 -9.560 1.00 0.00 C ATOM 895 OG SER A 58 83.837 30.990 -8.842 1.00 0.00 O ATOM 0 H SER A 58 82.281 33.629 -9.795 1.00 0.00 H new ATOM 0 HA SER A 58 84.346 33.738 -8.981 1.00 0.00 H new ATOM 0 HB2 SER A 58 85.061 31.199 -10.483 1.00 0.00 H new ATOM 0 HB3 SER A 58 85.731 31.785 -8.973 1.00 0.00 H new ATOM 0 HG SER A 58 83.274 31.608 -8.331 1.00 0.00 H new ATOM 901 N LEU A 59 84.880 34.994 -11.333 1.00 0.00 N ATOM 902 CA LEU A 59 85.662 35.721 -12.326 1.00 0.00 C ATOM 903 C LEU A 59 86.883 36.375 -11.687 1.00 0.00 C ATOM 904 O LEU A 59 87.185 36.138 -10.517 1.00 0.00 O ATOM 905 CB LEU A 59 84.798 36.784 -13.007 1.00 0.00 C ATOM 906 CG LEU A 59 83.396 36.342 -13.426 1.00 0.00 C ATOM 907 CD1 LEU A 59 82.516 37.550 -13.704 1.00 0.00 C ATOM 908 CD2 LEU A 59 83.465 35.437 -14.648 1.00 0.00 C ATOM 0 H LEU A 59 84.064 35.499 -10.987 1.00 0.00 H new ATOM 0 HA LEU A 59 86.006 35.007 -13.074 1.00 0.00 H new ATOM 0 HB2 LEU A 59 84.702 37.634 -12.331 1.00 0.00 H new ATOM 0 HB3 LEU A 59 85.325 37.139 -13.893 1.00 0.00 H new ATOM 0 HG LEU A 59 82.953 35.778 -12.605 1.00 0.00 H new ATOM 0 HD11 LEU A 59 81.522 37.215 -14.001 1.00 0.00 H new ATOM 0 HD12 LEU A 59 82.440 38.160 -12.804 1.00 0.00 H new ATOM 0 HD13 LEU A 59 82.954 38.142 -14.507 1.00 0.00 H new ATOM 0 HD21 LEU A 59 82.458 35.132 -14.932 1.00 0.00 H new ATOM 0 HD22 LEU A 59 83.928 35.976 -15.475 1.00 0.00 H new ATOM 0 HD23 LEU A 59 84.059 34.554 -14.414 1.00 0.00 H new ATOM 920 N MET A 60 87.580 37.200 -12.461 1.00 0.00 N ATOM 921 CA MET A 60 88.766 37.890 -11.968 1.00 0.00 C ATOM 922 C MET A 60 89.133 39.058 -12.879 1.00 0.00 C ATOM 923 O MET A 60 88.910 39.007 -14.088 1.00 0.00 O ATOM 924 CB MET A 60 89.943 36.919 -11.867 1.00 0.00 C ATOM 925 CG MET A 60 90.379 36.349 -13.207 1.00 0.00 C ATOM 926 SD MET A 60 92.043 35.658 -13.161 1.00 0.00 S ATOM 927 CE MET A 60 92.069 34.734 -14.695 1.00 0.00 C ATOM 0 H MET A 60 87.344 37.407 -13.432 1.00 0.00 H new ATOM 0 HA MET A 60 88.541 38.281 -10.976 1.00 0.00 H new ATOM 0 HB2 MET A 60 90.788 37.432 -11.408 1.00 0.00 H new ATOM 0 HB3 MET A 60 89.670 36.098 -11.204 1.00 0.00 H new ATOM 0 HG2 MET A 60 89.677 35.574 -13.513 1.00 0.00 H new ATOM 0 HG3 MET A 60 90.337 37.134 -13.962 1.00 0.00 H new ATOM 0 HE1 MET A 60 93.037 34.247 -14.810 1.00 0.00 H new ATOM 0 HE2 MET A 60 91.283 33.979 -14.678 1.00 0.00 H new ATOM 0 HE3 MET A 60 91.902 35.413 -15.531 1.00 0.00 H new ATOM 937 N GLU A 61 89.695 40.109 -12.289 1.00 0.00 N ATOM 938 CA GLU A 61 90.091 41.289 -13.049 1.00 0.00 C ATOM 939 C GLU A 61 88.876 41.961 -13.682 1.00 0.00 C ATOM 940 O GLU A 61 88.723 41.967 -14.903 1.00 0.00 O ATOM 941 CB GLU A 61 91.100 40.910 -14.134 1.00 0.00 C ATOM 942 CG GLU A 61 92.239 40.040 -13.628 1.00 0.00 C ATOM 943 CD GLU A 61 93.330 39.847 -14.664 1.00 0.00 C ATOM 944 OE1 GLU A 61 93.187 38.943 -15.514 1.00 0.00 O ATOM 945 OE2 GLU A 61 94.326 40.599 -14.624 1.00 0.00 O ATOM 0 H GLU A 61 89.886 40.167 -11.289 1.00 0.00 H new ATOM 0 HA GLU A 61 90.557 41.993 -12.360 1.00 0.00 H new ATOM 0 HB2 GLU A 61 90.580 40.384 -14.934 1.00 0.00 H new ATOM 0 HB3 GLU A 61 91.514 41.820 -14.567 1.00 0.00 H new ATOM 0 HG2 GLU A 61 92.668 40.493 -12.734 1.00 0.00 H new ATOM 0 HG3 GLU A 61 91.845 39.067 -13.335 1.00 0.00 H new ATOM 952 N ILE A 62 88.014 42.525 -12.842 1.00 0.00 N ATOM 953 CA ILE A 62 86.813 43.200 -13.318 1.00 0.00 C ATOM 954 C ILE A 62 86.643 44.558 -12.647 1.00 0.00 C ATOM 955 O ILE A 62 86.997 44.735 -11.481 1.00 0.00 O ATOM 956 CB ILE A 62 85.553 42.352 -13.064 1.00 0.00 C ATOM 957 CG1 ILE A 62 84.345 42.969 -13.773 1.00 0.00 C ATOM 958 CG2 ILE A 62 85.290 42.229 -11.570 1.00 0.00 C ATOM 959 CD1 ILE A 62 83.227 41.984 -14.029 1.00 0.00 C ATOM 0 H ILE A 62 88.125 42.528 -11.828 1.00 0.00 H new ATOM 0 HA ILE A 62 86.935 43.342 -14.392 1.00 0.00 H new ATOM 0 HB ILE A 62 85.718 41.353 -13.468 1.00 0.00 H new ATOM 0 HG12 ILE A 62 83.962 43.793 -13.170 1.00 0.00 H new ATOM 0 HG13 ILE A 62 84.669 43.393 -14.723 1.00 0.00 H new ATOM 0 HG21 ILE A 62 84.396 41.627 -11.406 1.00 0.00 H new ATOM 0 HG22 ILE A 62 86.143 41.751 -11.089 1.00 0.00 H new ATOM 0 HG23 ILE A 62 85.142 43.221 -11.144 1.00 0.00 H new ATOM 0 HD11 ILE A 62 82.404 42.490 -14.534 1.00 0.00 H new ATOM 0 HD12 ILE A 62 83.594 41.172 -14.657 1.00 0.00 H new ATOM 0 HD13 ILE A 62 82.876 41.578 -13.080 1.00 0.00 H new ATOM 971 N ASP A 63 86.098 45.515 -13.391 1.00 0.00 N ATOM 972 CA ASP A 63 85.877 46.858 -12.867 1.00 0.00 C ATOM 973 C ASP A 63 84.657 46.891 -11.952 1.00 0.00 C ATOM 974 O ASP A 63 83.618 46.308 -12.263 1.00 0.00 O ATOM 975 CB ASP A 63 85.697 47.852 -14.015 1.00 0.00 C ATOM 976 CG ASP A 63 86.946 48.672 -14.273 1.00 0.00 C ATOM 977 OD1 ASP A 63 87.851 48.170 -14.972 1.00 0.00 O ATOM 978 OD2 ASP A 63 87.018 49.815 -13.776 1.00 0.00 O ATOM 0 H ASP A 63 85.801 45.386 -14.358 1.00 0.00 H new ATOM 0 HA ASP A 63 86.753 47.143 -12.284 1.00 0.00 H new ATOM 0 HB2 ASP A 63 85.428 47.310 -14.922 1.00 0.00 H new ATOM 0 HB3 ASP A 63 84.868 48.521 -13.786 1.00 0.00 H new ATOM 983 N THR A 64 84.791 47.576 -10.821 1.00 0.00 N ATOM 984 CA THR A 64 83.701 47.684 -9.859 1.00 0.00 C ATOM 985 C THR A 64 83.184 49.115 -9.771 1.00 0.00 C ATOM 986 O THR A 64 81.992 49.343 -9.566 1.00 0.00 O ATOM 987 CB THR A 64 84.141 47.221 -8.457 1.00 0.00 C ATOM 988 OG1 THR A 64 85.521 47.542 -8.246 1.00 0.00 O ATOM 989 CG2 THR A 64 83.932 45.724 -8.291 1.00 0.00 C ATOM 0 H THR A 64 85.644 48.065 -10.548 1.00 0.00 H new ATOM 0 HA THR A 64 82.901 47.034 -10.214 1.00 0.00 H new ATOM 0 HB THR A 64 83.530 47.741 -7.719 1.00 0.00 H new ATOM 0 HG1 THR A 64 85.793 47.246 -7.352 1.00 0.00 H new ATOM 0 HG21 THR A 64 84.250 45.421 -7.293 1.00 0.00 H new ATOM 0 HG22 THR A 64 82.876 45.487 -8.423 1.00 0.00 H new ATOM 0 HG23 THR A 64 84.520 45.190 -9.037 1.00 0.00 H new ATOM 997 N SER A 65 84.089 50.076 -9.927 1.00 0.00 N ATOM 998 CA SER A 65 83.725 51.487 -9.862 1.00 0.00 C ATOM 999 C SER A 65 82.717 51.839 -10.952 1.00 0.00 C ATOM 1000 O SER A 65 81.929 52.773 -10.807 1.00 0.00 O ATOM 1001 CB SER A 65 84.970 52.364 -10.000 1.00 0.00 C ATOM 1002 OG SER A 65 85.897 52.102 -8.960 1.00 0.00 O ATOM 0 H SER A 65 85.079 49.903 -10.099 1.00 0.00 H new ATOM 0 HA SER A 65 83.264 51.673 -8.892 1.00 0.00 H new ATOM 0 HB2 SER A 65 85.441 52.182 -10.966 1.00 0.00 H new ATOM 0 HB3 SER A 65 84.682 53.415 -9.979 1.00 0.00 H new ATOM 0 HG SER A 65 86.685 52.674 -9.072 1.00 0.00 H new ATOM 1008 N PHE A 66 82.749 51.083 -12.045 1.00 0.00 N ATOM 1009 CA PHE A 66 81.840 51.314 -13.161 1.00 0.00 C ATOM 1010 C PHE A 66 80.421 50.880 -12.806 1.00 0.00 C ATOM 1011 O PHE A 66 79.446 51.406 -13.343 1.00 0.00 O ATOM 1012 CB PHE A 66 82.321 50.560 -14.403 1.00 0.00 C ATOM 1013 CG PHE A 66 82.554 51.448 -15.591 1.00 0.00 C ATOM 1014 CD1 PHE A 66 83.520 52.441 -15.552 1.00 0.00 C ATOM 1015 CD2 PHE A 66 81.808 51.290 -16.748 1.00 0.00 C ATOM 1016 CE1 PHE A 66 83.735 53.261 -16.644 1.00 0.00 C ATOM 1017 CE2 PHE A 66 82.019 52.106 -17.843 1.00 0.00 C ATOM 1018 CZ PHE A 66 82.985 53.092 -17.791 1.00 0.00 C ATOM 0 H PHE A 66 83.395 50.305 -12.181 1.00 0.00 H new ATOM 0 HA PHE A 66 81.831 52.383 -13.374 1.00 0.00 H new ATOM 0 HB2 PHE A 66 83.246 50.036 -14.164 1.00 0.00 H new ATOM 0 HB3 PHE A 66 81.584 49.801 -14.666 1.00 0.00 H new ATOM 0 HD1 PHE A 66 84.111 52.576 -14.658 1.00 0.00 H new ATOM 0 HD2 PHE A 66 81.052 50.520 -16.794 1.00 0.00 H new ATOM 0 HE1 PHE A 66 84.489 54.033 -16.600 1.00 0.00 H new ATOM 0 HE2 PHE A 66 81.430 51.973 -18.738 1.00 0.00 H new ATOM 0 HZ PHE A 66 83.153 53.730 -18.646 1.00 0.00 H new ATOM 1028 N PHE A 67 80.314 49.915 -11.899 1.00 0.00 N ATOM 1029 CA PHE A 67 79.015 49.408 -11.473 1.00 0.00 C ATOM 1030 C PHE A 67 78.734 49.783 -10.020 1.00 0.00 C ATOM 1031 O PHE A 67 77.988 49.095 -9.325 1.00 0.00 O ATOM 1032 CB PHE A 67 78.957 47.888 -11.638 1.00 0.00 C ATOM 1033 CG PHE A 67 79.472 47.410 -12.966 1.00 0.00 C ATOM 1034 CD1 PHE A 67 78.698 47.532 -14.109 1.00 0.00 C ATOM 1035 CD2 PHE A 67 80.730 46.838 -13.071 1.00 0.00 C ATOM 1036 CE1 PHE A 67 79.169 47.094 -15.332 1.00 0.00 C ATOM 1037 CE2 PHE A 67 81.206 46.398 -14.292 1.00 0.00 C ATOM 1038 CZ PHE A 67 80.424 46.525 -15.423 1.00 0.00 C ATOM 0 H PHE A 67 81.111 49.469 -11.445 1.00 0.00 H new ATOM 0 HA PHE A 67 78.251 49.865 -12.103 1.00 0.00 H new ATOM 0 HB2 PHE A 67 79.538 47.422 -10.842 1.00 0.00 H new ATOM 0 HB3 PHE A 67 77.926 47.556 -11.516 1.00 0.00 H new ATOM 0 HD1 PHE A 67 77.715 47.975 -14.043 1.00 0.00 H new ATOM 0 HD2 PHE A 67 81.345 46.735 -12.189 1.00 0.00 H new ATOM 0 HE1 PHE A 67 78.556 47.197 -16.216 1.00 0.00 H new ATOM 0 HE2 PHE A 67 82.189 45.955 -14.361 1.00 0.00 H new ATOM 0 HZ PHE A 67 80.793 46.180 -16.377 1.00 0.00 H new ATOM 1048 N GLN A 68 79.338 50.879 -9.571 1.00 0.00 N ATOM 1049 CA GLN A 68 79.154 51.345 -8.202 1.00 0.00 C ATOM 1050 C GLN A 68 77.929 52.246 -8.094 1.00 0.00 C ATOM 1051 O GLN A 68 77.302 52.333 -7.039 1.00 0.00 O ATOM 1052 CB GLN A 68 80.399 52.096 -7.725 1.00 0.00 C ATOM 1053 CG GLN A 68 80.544 53.481 -8.336 1.00 0.00 C ATOM 1054 CD GLN A 68 81.963 54.009 -8.254 1.00 0.00 C ATOM 1055 OE1 GLN A 68 82.785 53.497 -7.493 1.00 0.00 O ATOM 1056 NE2 GLN A 68 82.258 55.038 -9.038 1.00 0.00 N ATOM 0 H GLN A 68 79.958 51.460 -10.135 1.00 0.00 H new ATOM 0 HA GLN A 68 78.998 50.474 -7.566 1.00 0.00 H new ATOM 0 HB2 GLN A 68 80.364 52.188 -6.639 1.00 0.00 H new ATOM 0 HB3 GLN A 68 81.284 51.507 -7.966 1.00 0.00 H new ATOM 0 HG2 GLN A 68 80.232 53.448 -9.380 1.00 0.00 H new ATOM 0 HG3 GLN A 68 79.873 54.172 -7.825 1.00 0.00 H new ATOM 0 HE21 GLN A 68 81.546 55.431 -9.653 1.00 0.00 H new ATOM 0 HE22 GLN A 68 83.197 55.436 -9.025 1.00 0.00 H new ATOM 1065 N ASN A 69 77.593 52.915 -9.192 1.00 0.00 N ATOM 1066 CA ASN A 69 76.443 53.811 -9.220 1.00 0.00 C ATOM 1067 C ASN A 69 75.952 54.022 -10.649 1.00 0.00 C ATOM 1068 O ASN A 69 75.745 55.155 -11.084 1.00 0.00 O ATOM 1069 CB ASN A 69 76.803 55.157 -8.588 1.00 0.00 C ATOM 1070 CG ASN A 69 75.602 55.845 -7.968 1.00 0.00 C ATOM 1071 OD1 ASN A 69 75.044 55.371 -6.979 1.00 0.00 O ATOM 1072 ND2 ASN A 69 75.199 56.969 -8.550 1.00 0.00 N ATOM 0 H ASN A 69 78.101 52.853 -10.074 1.00 0.00 H new ATOM 0 HA ASN A 69 75.641 53.350 -8.644 1.00 0.00 H new ATOM 0 HB2 ASN A 69 77.565 55.004 -7.824 1.00 0.00 H new ATOM 0 HB3 ASN A 69 77.239 55.807 -9.347 1.00 0.00 H new ATOM 0 HD21 ASN A 69 74.396 57.476 -8.178 1.00 0.00 H new ATOM 0 HD22 ASN A 69 75.693 57.325 -9.369 1.00 0.00 H new ATOM 1079 N MET A 70 75.769 52.924 -11.374 1.00 0.00 N ATOM 1080 CA MET A 70 75.301 52.989 -12.754 1.00 0.00 C ATOM 1081 C MET A 70 73.818 52.642 -12.841 1.00 0.00 C ATOM 1082 O MET A 70 73.331 51.769 -12.122 1.00 0.00 O ATOM 1083 CB MET A 70 76.112 52.037 -13.635 1.00 0.00 C ATOM 1084 CG MET A 70 75.787 52.155 -15.116 1.00 0.00 C ATOM 1085 SD MET A 70 77.218 52.632 -16.105 1.00 0.00 S ATOM 1086 CE MET A 70 78.012 51.043 -16.339 1.00 0.00 C ATOM 0 H MET A 70 75.937 51.979 -11.030 1.00 0.00 H new ATOM 0 HA MET A 70 75.439 54.009 -13.111 1.00 0.00 H new ATOM 0 HB2 MET A 70 77.174 52.234 -13.487 1.00 0.00 H new ATOM 0 HB3 MET A 70 75.930 51.012 -13.312 1.00 0.00 H new ATOM 0 HG2 MET A 70 75.402 51.201 -15.477 1.00 0.00 H new ATOM 0 HG3 MET A 70 74.994 52.890 -15.253 1.00 0.00 H new ATOM 0 HE1 MET A 70 78.961 51.183 -16.857 1.00 0.00 H new ATOM 0 HE2 MET A 70 78.194 50.581 -15.369 1.00 0.00 H new ATOM 0 HE3 MET A 70 77.366 50.397 -16.933 1.00 0.00 H new ATOM 1096 N ASP A 71 73.105 53.330 -13.726 1.00 0.00 N ATOM 1097 CA ASP A 71 71.678 53.094 -13.908 1.00 0.00 C ATOM 1098 C ASP A 71 71.430 51.732 -14.550 1.00 0.00 C ATOM 1099 O ASP A 71 72.127 51.339 -15.484 1.00 0.00 O ATOM 1100 CB ASP A 71 71.062 54.198 -14.770 1.00 0.00 C ATOM 1101 CG ASP A 71 71.594 55.573 -14.415 1.00 0.00 C ATOM 1102 OD1 ASP A 71 71.015 56.220 -13.517 1.00 0.00 O ATOM 1103 OD2 ASP A 71 72.589 56.001 -15.036 1.00 0.00 O ATOM 0 H ASP A 71 73.492 54.056 -14.329 1.00 0.00 H new ATOM 0 HA ASP A 71 71.205 53.104 -12.926 1.00 0.00 H new ATOM 0 HB2 ASP A 71 71.267 53.992 -15.821 1.00 0.00 H new ATOM 0 HB3 ASP A 71 69.979 54.188 -14.649 1.00 0.00 H new ATOM 1108 N GLY A 72 70.431 51.017 -14.042 1.00 0.00 N ATOM 1109 CA GLY A 72 70.110 49.707 -14.577 1.00 0.00 C ATOM 1110 C GLY A 72 69.900 49.729 -16.078 1.00 0.00 C ATOM 1111 O GLY A 72 70.258 48.781 -16.777 1.00 0.00 O ATOM 0 H GLY A 72 69.838 51.322 -13.270 1.00 0.00 H new ATOM 0 HA2 GLY A 72 70.915 49.012 -14.336 1.00 0.00 H new ATOM 0 HA3 GLY A 72 69.209 49.331 -14.093 1.00 0.00 H new ATOM 1115 N LYS A 73 69.316 50.814 -16.576 1.00 0.00 N ATOM 1116 CA LYS A 73 69.058 50.957 -18.004 1.00 0.00 C ATOM 1117 C LYS A 73 70.364 51.055 -18.786 1.00 0.00 C ATOM 1118 O LYS A 73 70.433 50.652 -19.947 1.00 0.00 O ATOM 1119 CB LYS A 73 68.201 52.198 -18.266 1.00 0.00 C ATOM 1120 CG LYS A 73 66.739 51.882 -18.532 1.00 0.00 C ATOM 1121 CD LYS A 73 66.099 52.923 -19.435 1.00 0.00 C ATOM 1122 CE LYS A 73 64.639 53.152 -19.074 1.00 0.00 C ATOM 1123 NZ LYS A 73 63.804 53.409 -20.280 1.00 0.00 N ATOM 0 H LYS A 73 69.012 51.607 -16.011 1.00 0.00 H new ATOM 0 HA LYS A 73 68.519 50.072 -18.341 1.00 0.00 H new ATOM 0 HB2 LYS A 73 68.269 52.865 -17.406 1.00 0.00 H new ATOM 0 HB3 LYS A 73 68.609 52.737 -19.121 1.00 0.00 H new ATOM 0 HG2 LYS A 73 66.657 50.898 -18.994 1.00 0.00 H new ATOM 0 HG3 LYS A 73 66.198 51.837 -17.587 1.00 0.00 H new ATOM 0 HD2 LYS A 73 66.646 53.862 -19.354 1.00 0.00 H new ATOM 0 HD3 LYS A 73 66.172 52.600 -20.473 1.00 0.00 H new ATOM 0 HE2 LYS A 73 64.254 52.280 -18.545 1.00 0.00 H new ATOM 0 HE3 LYS A 73 64.562 53.998 -18.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 62.816 53.560 -19.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 64.155 54.256 -20.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 63.857 52.591 -20.920 1.00 0.00 H new ATOM 1137 N GLU A 74 71.396 51.589 -18.141 1.00 0.00 N ATOM 1138 CA GLU A 74 72.699 51.738 -18.778 1.00 0.00 C ATOM 1139 C GLU A 74 73.351 50.377 -19.008 1.00 0.00 C ATOM 1140 O GLU A 74 74.054 50.172 -19.998 1.00 0.00 O ATOM 1141 CB GLU A 74 73.614 52.615 -17.920 1.00 0.00 C ATOM 1142 CG GLU A 74 74.133 53.845 -18.646 1.00 0.00 C ATOM 1143 CD GLU A 74 75.144 53.503 -19.723 1.00 0.00 C ATOM 1144 OE1 GLU A 74 76.185 52.899 -19.389 1.00 0.00 O ATOM 1145 OE2 GLU A 74 74.895 53.839 -20.899 1.00 0.00 O ATOM 0 H GLU A 74 71.355 51.925 -17.179 1.00 0.00 H new ATOM 0 HA GLU A 74 72.549 52.218 -19.745 1.00 0.00 H new ATOM 0 HB2 GLU A 74 73.070 52.931 -17.030 1.00 0.00 H new ATOM 0 HB3 GLU A 74 74.461 52.019 -17.581 1.00 0.00 H new ATOM 0 HG2 GLU A 74 73.295 54.378 -19.096 1.00 0.00 H new ATOM 0 HG3 GLU A 74 74.591 54.522 -17.925 1.00 0.00 H new ATOM 1152 N LEU A 75 73.113 49.451 -18.085 1.00 0.00 N ATOM 1153 CA LEU A 75 73.677 48.109 -18.186 1.00 0.00 C ATOM 1154 C LEU A 75 73.353 47.482 -19.538 1.00 0.00 C ATOM 1155 O LEU A 75 74.215 46.872 -20.173 1.00 0.00 O ATOM 1156 CB LEU A 75 73.140 47.224 -17.059 1.00 0.00 C ATOM 1157 CG LEU A 75 74.130 46.882 -15.945 1.00 0.00 C ATOM 1158 CD1 LEU A 75 74.720 48.150 -15.347 1.00 0.00 C ATOM 1159 CD2 LEU A 75 73.453 46.047 -14.868 1.00 0.00 C ATOM 0 H LEU A 75 72.534 49.605 -17.259 1.00 0.00 H new ATOM 0 HA LEU A 75 74.760 48.189 -18.094 1.00 0.00 H new ATOM 0 HB2 LEU A 75 72.279 47.721 -16.613 1.00 0.00 H new ATOM 0 HB3 LEU A 75 72.779 46.293 -17.496 1.00 0.00 H new ATOM 0 HG LEU A 75 74.942 46.296 -16.374 1.00 0.00 H new ATOM 0 HD11 LEU A 75 75.422 47.887 -14.556 1.00 0.00 H new ATOM 0 HD12 LEU A 75 75.241 48.710 -16.123 1.00 0.00 H new ATOM 0 HD13 LEU A 75 73.920 48.763 -14.933 1.00 0.00 H new ATOM 0 HD21 LEU A 75 74.172 45.813 -14.083 1.00 0.00 H new ATOM 0 HD22 LEU A 75 72.621 46.608 -14.442 1.00 0.00 H new ATOM 0 HD23 LEU A 75 73.080 45.121 -15.306 1.00 0.00 H new ATOM 1171 N CYS A 76 72.109 47.639 -19.974 1.00 0.00 N ATOM 1172 CA CYS A 76 71.672 47.090 -21.253 1.00 0.00 C ATOM 1173 C CYS A 76 72.283 47.865 -22.415 1.00 0.00 C ATOM 1174 O CYS A 76 72.730 47.278 -23.401 1.00 0.00 O ATOM 1175 CB CYS A 76 70.146 47.120 -21.350 1.00 0.00 C ATOM 1176 SG CYS A 76 69.346 45.563 -20.898 1.00 0.00 S ATOM 0 H CYS A 76 71.385 48.142 -19.461 1.00 0.00 H new ATOM 0 HA CYS A 76 72.012 46.056 -21.311 1.00 0.00 H new ATOM 0 HB2 CYS A 76 69.767 47.912 -20.703 1.00 0.00 H new ATOM 0 HB3 CYS A 76 69.863 47.379 -22.370 1.00 0.00 H new ATOM 0 HG CYS A 76 68.057 45.689 -21.010 1.00 0.00 H new ATOM 1182 N LYS A 77 72.299 49.188 -22.294 1.00 0.00 N ATOM 1183 CA LYS A 77 72.854 50.046 -23.334 1.00 0.00 C ATOM 1184 C LYS A 77 74.304 49.675 -23.628 1.00 0.00 C ATOM 1185 O LYS A 77 74.767 49.790 -24.762 1.00 0.00 O ATOM 1186 CB LYS A 77 72.768 51.514 -22.913 1.00 0.00 C ATOM 1187 CG LYS A 77 71.345 52.037 -22.818 1.00 0.00 C ATOM 1188 CD LYS A 77 71.291 53.385 -22.118 1.00 0.00 C ATOM 1189 CE LYS A 77 70.236 54.291 -22.734 1.00 0.00 C ATOM 1190 NZ LYS A 77 69.308 54.840 -21.707 1.00 0.00 N ATOM 0 H LYS A 77 71.933 49.690 -21.485 1.00 0.00 H new ATOM 0 HA LYS A 77 72.268 49.900 -24.241 1.00 0.00 H new ATOM 0 HB2 LYS A 77 73.256 51.635 -21.946 1.00 0.00 H new ATOM 0 HB3 LYS A 77 73.323 52.122 -23.628 1.00 0.00 H new ATOM 0 HG2 LYS A 77 70.923 52.129 -23.819 1.00 0.00 H new ATOM 0 HG3 LYS A 77 70.728 51.320 -22.276 1.00 0.00 H new ATOM 0 HD2 LYS A 77 71.073 53.238 -21.060 1.00 0.00 H new ATOM 0 HD3 LYS A 77 72.267 53.867 -22.179 1.00 0.00 H new ATOM 0 HE2 LYS A 77 70.724 55.112 -23.258 1.00 0.00 H new ATOM 0 HE3 LYS A 77 69.666 53.732 -23.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 68.604 55.452 -22.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 68.823 54.057 -21.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 69.848 55.395 -21.012 1.00 0.00 H new ATOM 1204 N MET A 78 75.016 49.228 -22.598 1.00 0.00 N ATOM 1205 CA MET A 78 76.414 48.838 -22.748 1.00 0.00 C ATOM 1206 C MET A 78 76.544 47.622 -23.660 1.00 0.00 C ATOM 1207 O MET A 78 75.895 46.599 -23.442 1.00 0.00 O ATOM 1208 CB MET A 78 77.029 48.533 -21.381 1.00 0.00 C ATOM 1209 CG MET A 78 77.090 49.740 -20.459 1.00 0.00 C ATOM 1210 SD MET A 78 78.781 50.246 -20.089 1.00 0.00 S ATOM 1211 CE MET A 78 79.447 48.730 -19.407 1.00 0.00 C ATOM 0 H MET A 78 74.649 49.127 -21.652 1.00 0.00 H new ATOM 0 HA MET A 78 76.951 49.670 -23.203 1.00 0.00 H new ATOM 0 HB2 MET A 78 76.449 47.746 -20.898 1.00 0.00 H new ATOM 0 HB3 MET A 78 78.037 48.144 -21.524 1.00 0.00 H new ATOM 0 HG2 MET A 78 76.559 50.572 -20.921 1.00 0.00 H new ATOM 0 HG3 MET A 78 76.572 49.508 -19.528 1.00 0.00 H new ATOM 0 HE1 MET A 78 80.314 48.960 -18.787 1.00 0.00 H new ATOM 0 HE2 MET A 78 78.686 48.239 -18.800 1.00 0.00 H new ATOM 0 HE3 MET A 78 79.747 48.067 -20.218 1.00 0.00 H new ATOM 1221 N ASN A 79 77.385 47.741 -24.681 1.00 0.00 N ATOM 1222 CA ASN A 79 77.599 46.651 -25.627 1.00 0.00 C ATOM 1223 C ASN A 79 78.925 45.947 -25.354 1.00 0.00 C ATOM 1224 O ASN A 79 79.602 46.234 -24.366 1.00 0.00 O ATOM 1225 CB ASN A 79 77.577 47.181 -27.062 1.00 0.00 C ATOM 1226 CG ASN A 79 76.328 47.989 -27.360 1.00 0.00 C ATOM 1227 OD1 ASN A 79 76.340 49.218 -27.295 1.00 0.00 O ATOM 1228 ND2 ASN A 79 75.242 47.299 -27.689 1.00 0.00 N ATOM 0 H ASN A 79 77.930 48.581 -24.875 1.00 0.00 H new ATOM 0 HA ASN A 79 76.791 45.930 -25.501 1.00 0.00 H new ATOM 0 HB2 ASN A 79 78.457 47.802 -27.231 1.00 0.00 H new ATOM 0 HB3 ASN A 79 77.639 46.344 -27.757 1.00 0.00 H new ATOM 0 HD21 ASN A 79 74.372 47.788 -27.900 1.00 0.00 H new ATOM 0 HD22 ASN A 79 75.278 46.280 -27.730 1.00 0.00 H new ATOM 1235 N LYS A 80 79.290 45.022 -26.236 1.00 0.00 N ATOM 1236 CA LYS A 80 80.535 44.277 -26.093 1.00 0.00 C ATOM 1237 C LYS A 80 81.716 45.223 -25.901 1.00 0.00 C ATOM 1238 O LYS A 80 82.593 44.974 -25.074 1.00 0.00 O ATOM 1239 CB LYS A 80 80.769 43.395 -27.321 1.00 0.00 C ATOM 1240 CG LYS A 80 81.816 42.317 -27.105 1.00 0.00 C ATOM 1241 CD LYS A 80 81.177 40.964 -26.837 1.00 0.00 C ATOM 1242 CE LYS A 80 81.286 40.047 -28.046 1.00 0.00 C ATOM 1243 NZ LYS A 80 80.224 40.327 -29.051 1.00 0.00 N ATOM 0 H LYS A 80 78.741 44.771 -27.058 1.00 0.00 H new ATOM 0 HA LYS A 80 80.451 43.644 -25.209 1.00 0.00 H new ATOM 0 HB2 LYS A 80 79.828 42.924 -27.604 1.00 0.00 H new ATOM 0 HB3 LYS A 80 81.075 44.024 -28.157 1.00 0.00 H new ATOM 0 HG2 LYS A 80 82.457 42.250 -27.984 1.00 0.00 H new ATOM 0 HG3 LYS A 80 82.454 42.592 -26.265 1.00 0.00 H new ATOM 0 HD2 LYS A 80 81.660 40.496 -25.979 1.00 0.00 H new ATOM 0 HD3 LYS A 80 80.128 41.101 -26.576 1.00 0.00 H new ATOM 0 HE2 LYS A 80 82.265 40.170 -28.508 1.00 0.00 H new ATOM 0 HE3 LYS A 80 81.215 39.009 -27.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 80.332 39.682 -29.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 79.289 40.185 -28.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 80.307 41.310 -29.379 1.00 0.00 H new ATOM 1257 N GLU A 81 81.731 46.308 -26.668 1.00 0.00 N ATOM 1258 CA GLU A 81 82.805 47.291 -26.581 1.00 0.00 C ATOM 1259 C GLU A 81 82.756 48.032 -25.248 1.00 0.00 C ATOM 1260 O GLU A 81 83.757 48.117 -24.536 1.00 0.00 O ATOM 1261 CB GLU A 81 82.708 48.289 -27.736 1.00 0.00 C ATOM 1262 CG GLU A 81 82.583 47.631 -29.100 1.00 0.00 C ATOM 1263 CD GLU A 81 83.048 48.533 -30.227 1.00 0.00 C ATOM 1264 OE1 GLU A 81 84.266 48.795 -30.314 1.00 0.00 O ATOM 1265 OE2 GLU A 81 82.194 48.976 -31.023 1.00 0.00 O ATOM 0 H GLU A 81 81.012 46.529 -27.357 1.00 0.00 H new ATOM 0 HA GLU A 81 83.755 46.761 -26.648 1.00 0.00 H new ATOM 0 HB2 GLU A 81 81.846 48.937 -27.574 1.00 0.00 H new ATOM 0 HB3 GLU A 81 83.592 48.927 -27.729 1.00 0.00 H new ATOM 0 HG2 GLU A 81 83.168 46.711 -29.111 1.00 0.00 H new ATOM 0 HG3 GLU A 81 81.544 47.350 -29.270 1.00 0.00 H new ATOM 1272 N ASP A 82 81.586 48.567 -24.918 1.00 0.00 N ATOM 1273 CA ASP A 82 81.405 49.301 -23.671 1.00 0.00 C ATOM 1274 C ASP A 82 81.805 48.445 -22.473 1.00 0.00 C ATOM 1275 O ASP A 82 82.431 48.930 -21.531 1.00 0.00 O ATOM 1276 CB ASP A 82 79.952 49.755 -23.527 1.00 0.00 C ATOM 1277 CG ASP A 82 79.457 50.509 -24.745 1.00 0.00 C ATOM 1278 OD1 ASP A 82 80.270 51.221 -25.372 1.00 0.00 O ATOM 1279 OD2 ASP A 82 78.258 50.389 -25.072 1.00 0.00 O ATOM 0 H ASP A 82 80.748 48.506 -25.497 1.00 0.00 H new ATOM 0 HA ASP A 82 82.050 50.179 -23.699 1.00 0.00 H new ATOM 0 HB2 ASP A 82 79.318 48.885 -23.360 1.00 0.00 H new ATOM 0 HB3 ASP A 82 79.859 50.391 -22.647 1.00 0.00 H new ATOM 1284 N PHE A 83 81.438 47.168 -22.516 1.00 0.00 N ATOM 1285 CA PHE A 83 81.756 46.244 -21.434 1.00 0.00 C ATOM 1286 C PHE A 83 83.226 45.837 -21.481 1.00 0.00 C ATOM 1287 O PHE A 83 83.830 45.528 -20.453 1.00 0.00 O ATOM 1288 CB PHE A 83 80.868 45.001 -21.519 1.00 0.00 C ATOM 1289 CG PHE A 83 79.646 45.077 -20.649 1.00 0.00 C ATOM 1290 CD1 PHE A 83 79.764 45.240 -19.278 1.00 0.00 C ATOM 1291 CD2 PHE A 83 78.379 44.986 -21.202 1.00 0.00 C ATOM 1292 CE1 PHE A 83 78.641 45.311 -18.475 1.00 0.00 C ATOM 1293 CE2 PHE A 83 77.253 45.057 -20.404 1.00 0.00 C ATOM 1294 CZ PHE A 83 77.384 45.218 -19.038 1.00 0.00 C ATOM 0 H PHE A 83 80.920 46.750 -23.289 1.00 0.00 H new ATOM 0 HA PHE A 83 81.568 46.752 -20.488 1.00 0.00 H new ATOM 0 HB2 PHE A 83 80.559 44.855 -22.554 1.00 0.00 H new ATOM 0 HB3 PHE A 83 81.453 44.126 -21.235 1.00 0.00 H new ATOM 0 HD1 PHE A 83 80.745 45.312 -18.832 1.00 0.00 H new ATOM 0 HD2 PHE A 83 78.270 44.858 -22.269 1.00 0.00 H new ATOM 0 HE1 PHE A 83 78.747 45.439 -17.408 1.00 0.00 H new ATOM 0 HE2 PHE A 83 76.271 44.987 -20.848 1.00 0.00 H new ATOM 0 HZ PHE A 83 76.505 45.271 -18.412 1.00 0.00 H new ATOM 1304 N LEU A 84 83.795 45.838 -22.682 1.00 0.00 N ATOM 1305 CA LEU A 84 85.195 45.468 -22.865 1.00 0.00 C ATOM 1306 C LEU A 84 86.114 46.425 -22.112 1.00 0.00 C ATOM 1307 O LEU A 84 87.224 46.060 -21.726 1.00 0.00 O ATOM 1308 CB LEU A 84 85.551 45.465 -24.352 1.00 0.00 C ATOM 1309 CG LEU A 84 85.568 44.097 -25.036 1.00 0.00 C ATOM 1310 CD1 LEU A 84 85.547 44.255 -26.548 1.00 0.00 C ATOM 1311 CD2 LEU A 84 86.786 43.297 -24.598 1.00 0.00 C ATOM 0 H LEU A 84 83.309 46.091 -23.543 1.00 0.00 H new ATOM 0 HA LEU A 84 85.336 44.465 -22.462 1.00 0.00 H new ATOM 0 HB2 LEU A 84 84.839 46.102 -24.877 1.00 0.00 H new ATOM 0 HB3 LEU A 84 86.534 45.920 -24.471 1.00 0.00 H new ATOM 0 HG LEU A 84 84.673 43.552 -24.737 1.00 0.00 H new ATOM 0 HD11 LEU A 84 85.560 43.271 -27.017 1.00 0.00 H new ATOM 0 HD12 LEU A 84 84.644 44.787 -26.846 1.00 0.00 H new ATOM 0 HD13 LEU A 84 86.423 44.820 -26.867 1.00 0.00 H new ATOM 0 HD21 LEU A 84 86.782 42.327 -25.094 1.00 0.00 H new ATOM 0 HD22 LEU A 84 87.693 43.838 -24.867 1.00 0.00 H new ATOM 0 HD23 LEU A 84 86.757 43.152 -23.518 1.00 0.00 H new ATOM 1323 N ARG A 85 85.642 47.650 -21.904 1.00 0.00 N ATOM 1324 CA ARG A 85 86.421 48.659 -21.197 1.00 0.00 C ATOM 1325 C ARG A 85 86.431 48.384 -19.696 1.00 0.00 C ATOM 1326 O ARG A 85 87.359 48.774 -18.989 1.00 0.00 O ATOM 1327 CB ARG A 85 85.854 50.053 -21.467 1.00 0.00 C ATOM 1328 CG ARG A 85 85.603 50.334 -22.940 1.00 0.00 C ATOM 1329 CD ARG A 85 86.105 51.713 -23.338 1.00 0.00 C ATOM 1330 NE ARG A 85 87.542 51.856 -23.122 1.00 0.00 N ATOM 1331 CZ ARG A 85 88.462 51.348 -23.935 1.00 0.00 C ATOM 1332 NH1 ARG A 85 88.095 50.669 -25.013 1.00 0.00 N ATOM 1333 NH2 ARG A 85 89.750 51.521 -23.671 1.00 0.00 N ATOM 0 H ARG A 85 84.724 47.967 -22.215 1.00 0.00 H new ATOM 0 HA ARG A 85 87.446 48.614 -21.564 1.00 0.00 H new ATOM 0 HB2 ARG A 85 84.919 50.168 -20.919 1.00 0.00 H new ATOM 0 HB3 ARG A 85 86.546 50.799 -21.076 1.00 0.00 H new ATOM 0 HG2 ARG A 85 86.100 49.576 -23.546 1.00 0.00 H new ATOM 0 HG3 ARG A 85 84.536 50.260 -23.149 1.00 0.00 H new ATOM 0 HD2 ARG A 85 85.877 51.892 -24.389 1.00 0.00 H new ATOM 0 HD3 ARG A 85 85.575 52.472 -22.763 1.00 0.00 H new ATOM 0 HE ARG A 85 87.857 52.374 -22.302 1.00 0.00 H new ATOM 0 HH11 ARG A 85 87.105 50.536 -25.219 1.00 0.00 H new ATOM 0 HH12 ARG A 85 88.803 50.280 -25.636 1.00 0.00 H new ATOM 0 HH21 ARG A 85 90.035 52.044 -22.843 1.00 0.00 H new ATOM 0 HH22 ARG A 85 90.456 51.131 -24.296 1.00 0.00 H new ATOM 1347 N ALA A 86 85.391 47.710 -19.216 1.00 0.00 N ATOM 1348 CA ALA A 86 85.280 47.382 -17.800 1.00 0.00 C ATOM 1349 C ALA A 86 85.895 46.018 -17.503 1.00 0.00 C ATOM 1350 O ALA A 86 86.579 45.840 -16.495 1.00 0.00 O ATOM 1351 CB ALA A 86 83.823 47.412 -17.363 1.00 0.00 C ATOM 0 H ALA A 86 84.613 47.380 -19.787 1.00 0.00 H new ATOM 0 HA ALA A 86 85.833 48.132 -17.235 1.00 0.00 H new ATOM 0 HB1 ALA A 86 83.756 47.165 -16.303 1.00 0.00 H new ATOM 0 HB2 ALA A 86 83.413 48.408 -17.530 1.00 0.00 H new ATOM 0 HB3 ALA A 86 83.254 46.684 -17.942 1.00 0.00 H new ATOM 1357 N THR A 87 85.646 45.056 -18.387 1.00 0.00 N ATOM 1358 CA THR A 87 86.173 43.708 -18.218 1.00 0.00 C ATOM 1359 C THR A 87 86.654 43.136 -19.547 1.00 0.00 C ATOM 1360 O THR A 87 86.459 43.740 -20.602 1.00 0.00 O ATOM 1361 CB THR A 87 85.116 42.763 -17.618 1.00 0.00 C ATOM 1362 OG1 THR A 87 85.720 41.512 -17.267 1.00 0.00 O ATOM 1363 CG2 THR A 87 83.981 42.525 -18.603 1.00 0.00 C ATOM 0 H THR A 87 85.082 45.186 -19.227 1.00 0.00 H new ATOM 0 HA THR A 87 87.016 43.781 -17.530 1.00 0.00 H new ATOM 0 HB THR A 87 84.707 43.233 -16.723 1.00 0.00 H new ATOM 0 HG1 THR A 87 86.460 41.669 -16.644 1.00 0.00 H new ATOM 0 HG21 THR A 87 83.247 41.854 -18.157 1.00 0.00 H new ATOM 0 HG22 THR A 87 83.505 43.475 -18.846 1.00 0.00 H new ATOM 0 HG23 THR A 87 84.377 42.075 -19.513 1.00 0.00 H new ATOM 1371 N THR A 88 87.284 41.967 -19.489 1.00 0.00 N ATOM 1372 CA THR A 88 87.794 41.313 -20.688 1.00 0.00 C ATOM 1373 C THR A 88 86.655 40.772 -21.545 1.00 0.00 C ATOM 1374 O THR A 88 85.494 40.789 -21.136 1.00 0.00 O ATOM 1375 CB THR A 88 88.749 40.157 -20.334 1.00 0.00 C ATOM 1376 OG1 THR A 88 88.032 39.119 -19.657 1.00 0.00 O ATOM 1377 CG2 THR A 88 89.891 40.648 -19.457 1.00 0.00 C ATOM 0 H THR A 88 87.453 41.453 -18.624 1.00 0.00 H new ATOM 0 HA THR A 88 88.342 42.068 -21.251 1.00 0.00 H new ATOM 0 HB THR A 88 89.167 39.764 -21.260 1.00 0.00 H new ATOM 0 HG1 THR A 88 88.646 38.387 -19.437 1.00 0.00 H new ATOM 0 HG21 THR A 88 90.552 39.814 -19.220 1.00 0.00 H new ATOM 0 HG22 THR A 88 90.453 41.417 -19.988 1.00 0.00 H new ATOM 0 HG23 THR A 88 89.488 41.065 -18.534 1.00 0.00 H new ATOM 1385 N LEU A 89 86.995 40.292 -22.736 1.00 0.00 N ATOM 1386 CA LEU A 89 86.000 39.745 -23.653 1.00 0.00 C ATOM 1387 C LEU A 89 85.392 38.463 -23.094 1.00 0.00 C ATOM 1388 O LEU A 89 84.186 38.238 -23.200 1.00 0.00 O ATOM 1389 CB LEU A 89 86.633 39.470 -25.018 1.00 0.00 C ATOM 1390 CG LEU A 89 85.689 39.533 -26.220 1.00 0.00 C ATOM 1391 CD1 LEU A 89 84.589 38.491 -26.090 1.00 0.00 C ATOM 1392 CD2 LEU A 89 85.093 40.926 -26.357 1.00 0.00 C ATOM 0 H LEU A 89 87.951 40.270 -23.090 1.00 0.00 H new ATOM 0 HA LEU A 89 85.205 40.482 -23.770 1.00 0.00 H new ATOM 0 HB2 LEU A 89 87.437 40.189 -25.175 1.00 0.00 H new ATOM 0 HB3 LEU A 89 87.090 38.481 -24.992 1.00 0.00 H new ATOM 0 HG LEU A 89 86.263 39.315 -27.121 1.00 0.00 H new ATOM 0 HD11 LEU A 89 83.927 38.551 -26.954 1.00 0.00 H new ATOM 0 HD12 LEU A 89 85.033 37.497 -26.041 1.00 0.00 H new ATOM 0 HD13 LEU A 89 84.017 38.677 -25.181 1.00 0.00 H new ATOM 0 HD21 LEU A 89 84.424 40.953 -27.217 1.00 0.00 H new ATOM 0 HD22 LEU A 89 84.534 41.173 -25.455 1.00 0.00 H new ATOM 0 HD23 LEU A 89 85.894 41.652 -26.498 1.00 0.00 H new ATOM 1404 N TYR A 90 86.234 37.627 -22.496 1.00 0.00 N ATOM 1405 CA TYR A 90 85.779 36.367 -21.920 1.00 0.00 C ATOM 1406 C TYR A 90 84.695 36.606 -20.874 1.00 0.00 C ATOM 1407 O TYR A 90 83.768 35.809 -20.731 1.00 0.00 O ATOM 1408 CB TYR A 90 86.954 35.616 -21.291 1.00 0.00 C ATOM 1409 CG TYR A 90 86.539 34.399 -20.496 1.00 0.00 C ATOM 1410 CD1 TYR A 90 86.223 34.500 -19.147 1.00 0.00 C ATOM 1411 CD2 TYR A 90 86.464 33.147 -21.094 1.00 0.00 C ATOM 1412 CE1 TYR A 90 85.844 33.391 -18.417 1.00 0.00 C ATOM 1413 CE2 TYR A 90 86.085 32.032 -20.372 1.00 0.00 C ATOM 1414 CZ TYR A 90 85.776 32.159 -19.034 1.00 0.00 C ATOM 1415 OH TYR A 90 85.399 31.050 -18.311 1.00 0.00 O ATOM 0 H TYR A 90 87.235 37.799 -22.398 1.00 0.00 H new ATOM 0 HA TYR A 90 85.357 35.762 -22.722 1.00 0.00 H new ATOM 0 HB2 TYR A 90 87.641 35.308 -22.079 1.00 0.00 H new ATOM 0 HB3 TYR A 90 87.502 36.296 -20.639 1.00 0.00 H new ATOM 0 HD1 TYR A 90 86.275 35.463 -18.661 1.00 0.00 H new ATOM 0 HD2 TYR A 90 86.706 33.044 -22.141 1.00 0.00 H new ATOM 0 HE1 TYR A 90 85.602 33.487 -17.369 1.00 0.00 H new ATOM 0 HE2 TYR A 90 86.031 31.066 -20.853 1.00 0.00 H new ATOM 0 HH TYR A 90 85.401 30.263 -18.895 1.00 0.00 H new ATOM 1425 N ASN A 91 84.819 37.710 -20.144 1.00 0.00 N ATOM 1426 CA ASN A 91 83.850 38.055 -19.110 1.00 0.00 C ATOM 1427 C ASN A 91 82.649 38.780 -19.710 1.00 0.00 C ATOM 1428 O ASN A 91 81.505 38.529 -19.332 1.00 0.00 O ATOM 1429 CB ASN A 91 84.506 38.931 -18.040 1.00 0.00 C ATOM 1430 CG ASN A 91 85.263 38.115 -17.010 1.00 0.00 C ATOM 1431 OD1 ASN A 91 85.130 36.892 -16.950 1.00 0.00 O ATOM 1432 ND2 ASN A 91 86.064 38.789 -16.194 1.00 0.00 N ATOM 0 H ASN A 91 85.580 38.380 -20.249 1.00 0.00 H new ATOM 0 HA ASN A 91 83.501 37.130 -18.650 1.00 0.00 H new ATOM 0 HB2 ASN A 91 85.190 39.633 -18.518 1.00 0.00 H new ATOM 0 HB3 ASN A 91 83.740 39.523 -17.539 1.00 0.00 H new ATOM 0 HD21 ASN A 91 86.600 38.294 -15.481 1.00 0.00 H new ATOM 0 HD22 ASN A 91 86.144 39.802 -16.279 1.00 0.00 H new ATOM 1439 N THR A 92 82.918 39.682 -20.650 1.00 0.00 N ATOM 1440 CA THR A 92 81.861 40.444 -21.302 1.00 0.00 C ATOM 1441 C THR A 92 80.805 39.520 -21.899 1.00 0.00 C ATOM 1442 O THR A 92 79.615 39.831 -21.881 1.00 0.00 O ATOM 1443 CB THR A 92 82.425 41.347 -22.415 1.00 0.00 C ATOM 1444 OG1 THR A 92 83.411 42.234 -21.875 1.00 0.00 O ATOM 1445 CG2 THR A 92 81.315 42.155 -23.071 1.00 0.00 C ATOM 0 H THR A 92 83.859 39.902 -20.976 1.00 0.00 H new ATOM 0 HA THR A 92 81.402 41.068 -20.535 1.00 0.00 H new ATOM 0 HB THR A 92 82.885 40.710 -23.170 1.00 0.00 H new ATOM 0 HG1 THR A 92 84.230 41.733 -21.680 1.00 0.00 H new ATOM 0 HG21 THR A 92 81.737 42.785 -23.854 1.00 0.00 H new ATOM 0 HG22 THR A 92 80.581 41.478 -23.507 1.00 0.00 H new ATOM 0 HG23 THR A 92 80.830 42.782 -22.323 1.00 0.00 H new ATOM 1453 N GLU A 93 81.250 38.384 -22.426 1.00 0.00 N ATOM 1454 CA GLU A 93 80.342 37.415 -23.029 1.00 0.00 C ATOM 1455 C GLU A 93 79.509 36.713 -21.960 1.00 0.00 C ATOM 1456 O GLU A 93 78.396 36.258 -22.224 1.00 0.00 O ATOM 1457 CB GLU A 93 81.127 36.382 -23.840 1.00 0.00 C ATOM 1458 CG GLU A 93 81.772 36.954 -25.091 1.00 0.00 C ATOM 1459 CD GLU A 93 81.357 36.217 -26.350 1.00 0.00 C ATOM 1460 OE1 GLU A 93 80.295 36.557 -26.914 1.00 0.00 O ATOM 1461 OE2 GLU A 93 82.094 35.302 -26.771 1.00 0.00 O ATOM 0 H GLU A 93 82.233 38.112 -22.448 1.00 0.00 H new ATOM 0 HA GLU A 93 79.668 37.953 -23.696 1.00 0.00 H new ATOM 0 HB2 GLU A 93 81.902 35.948 -23.208 1.00 0.00 H new ATOM 0 HB3 GLU A 93 80.457 35.571 -24.125 1.00 0.00 H new ATOM 0 HG2 GLU A 93 81.504 38.006 -25.185 1.00 0.00 H new ATOM 0 HG3 GLU A 93 82.856 36.910 -24.989 1.00 0.00 H new ATOM 1468 N VAL A 94 80.057 36.628 -20.752 1.00 0.00 N ATOM 1469 CA VAL A 94 79.366 35.981 -19.643 1.00 0.00 C ATOM 1470 C VAL A 94 78.333 36.914 -19.021 1.00 0.00 C ATOM 1471 O VAL A 94 77.247 36.484 -18.630 1.00 0.00 O ATOM 1472 CB VAL A 94 80.355 35.528 -18.553 1.00 0.00 C ATOM 1473 CG1 VAL A 94 79.621 34.813 -17.429 1.00 0.00 C ATOM 1474 CG2 VAL A 94 81.432 34.635 -19.150 1.00 0.00 C ATOM 0 H VAL A 94 80.977 36.999 -20.516 1.00 0.00 H new ATOM 0 HA VAL A 94 78.862 35.105 -20.051 1.00 0.00 H new ATOM 0 HB VAL A 94 80.838 36.411 -18.135 1.00 0.00 H new ATOM 0 HG11 VAL A 94 80.336 34.500 -16.668 1.00 0.00 H new ATOM 0 HG12 VAL A 94 78.890 35.488 -16.984 1.00 0.00 H new ATOM 0 HG13 VAL A 94 79.110 33.937 -17.828 1.00 0.00 H new ATOM 0 HG21 VAL A 94 82.122 34.324 -18.366 1.00 0.00 H new ATOM 0 HG22 VAL A 94 80.969 33.755 -19.596 1.00 0.00 H new ATOM 0 HG23 VAL A 94 81.978 35.186 -19.916 1.00 0.00 H new ATOM 1484 N LEU A 95 78.678 38.194 -18.932 1.00 0.00 N ATOM 1485 CA LEU A 95 77.781 39.190 -18.357 1.00 0.00 C ATOM 1486 C LEU A 95 76.610 39.474 -19.293 1.00 0.00 C ATOM 1487 O LEU A 95 75.449 39.299 -18.923 1.00 0.00 O ATOM 1488 CB LEU A 95 78.542 40.485 -18.067 1.00 0.00 C ATOM 1489 CG LEU A 95 79.725 40.367 -17.106 1.00 0.00 C ATOM 1490 CD1 LEU A 95 80.720 41.493 -17.343 1.00 0.00 C ATOM 1491 CD2 LEU A 95 79.243 40.373 -15.663 1.00 0.00 C ATOM 0 H LEU A 95 79.573 38.566 -19.251 1.00 0.00 H new ATOM 0 HA LEU A 95 77.387 38.790 -17.423 1.00 0.00 H new ATOM 0 HB2 LEU A 95 78.906 40.888 -19.012 1.00 0.00 H new ATOM 0 HB3 LEU A 95 77.840 41.212 -17.659 1.00 0.00 H new ATOM 0 HG LEU A 95 80.229 39.419 -17.295 1.00 0.00 H new ATOM 0 HD11 LEU A 95 81.555 41.392 -16.650 1.00 0.00 H new ATOM 0 HD12 LEU A 95 81.090 41.442 -18.367 1.00 0.00 H new ATOM 0 HD13 LEU A 95 80.229 42.453 -17.182 1.00 0.00 H new ATOM 0 HD21 LEU A 95 80.099 40.288 -14.993 1.00 0.00 H new ATOM 0 HD22 LEU A 95 78.714 41.304 -15.460 1.00 0.00 H new ATOM 0 HD23 LEU A 95 78.570 39.531 -15.501 1.00 0.00 H new ATOM 1503 N LEU A 96 76.924 39.910 -20.508 1.00 0.00 N ATOM 1504 CA LEU A 96 75.898 40.215 -21.500 1.00 0.00 C ATOM 1505 C LEU A 96 74.942 39.040 -21.674 1.00 0.00 C ATOM 1506 O LEU A 96 73.724 39.204 -21.617 1.00 0.00 O ATOM 1507 CB LEU A 96 76.546 40.564 -22.841 1.00 0.00 C ATOM 1508 CG LEU A 96 75.630 41.214 -23.879 1.00 0.00 C ATOM 1509 CD1 LEU A 96 75.092 42.538 -23.362 1.00 0.00 C ATOM 1510 CD2 LEU A 96 76.372 41.413 -25.193 1.00 0.00 C ATOM 0 H LEU A 96 77.880 40.060 -20.830 1.00 0.00 H new ATOM 0 HA LEU A 96 75.327 41.073 -21.145 1.00 0.00 H new ATOM 0 HB2 LEU A 96 77.384 41.236 -22.653 1.00 0.00 H new ATOM 0 HB3 LEU A 96 76.959 39.652 -23.271 1.00 0.00 H new ATOM 0 HG LEU A 96 74.785 40.549 -24.058 1.00 0.00 H new ATOM 0 HD11 LEU A 96 74.442 42.985 -24.114 1.00 0.00 H new ATOM 0 HD12 LEU A 96 74.524 42.368 -22.447 1.00 0.00 H new ATOM 0 HD13 LEU A 96 75.923 43.212 -23.153 1.00 0.00 H new ATOM 0 HD21 LEU A 96 75.706 41.877 -25.921 1.00 0.00 H new ATOM 0 HD22 LEU A 96 77.235 42.058 -25.029 1.00 0.00 H new ATOM 0 HD23 LEU A 96 76.707 40.447 -25.572 1.00 0.00 H new ATOM 1522 N SER A 97 75.503 37.853 -21.886 1.00 0.00 N ATOM 1523 CA SER A 97 74.701 36.650 -22.070 1.00 0.00 C ATOM 1524 C SER A 97 73.744 36.451 -20.899 1.00 0.00 C ATOM 1525 O SER A 97 72.560 36.170 -21.090 1.00 0.00 O ATOM 1526 CB SER A 97 75.606 35.425 -22.218 1.00 0.00 C ATOM 1527 OG SER A 97 74.844 34.232 -22.272 1.00 0.00 O ATOM 0 H SER A 97 76.510 37.700 -21.934 1.00 0.00 H new ATOM 0 HA SER A 97 74.114 36.771 -22.980 1.00 0.00 H new ATOM 0 HB2 SER A 97 76.205 35.519 -23.124 1.00 0.00 H new ATOM 0 HB3 SER A 97 76.301 35.379 -21.379 1.00 0.00 H new ATOM 0 HG SER A 97 75.445 33.464 -22.368 1.00 0.00 H new ATOM 1533 N HIS A 98 74.266 36.598 -19.685 1.00 0.00 N ATOM 1534 CA HIS A 98 73.459 36.434 -18.481 1.00 0.00 C ATOM 1535 C HIS A 98 72.316 37.445 -18.451 1.00 0.00 C ATOM 1536 O HIS A 98 71.155 37.081 -18.260 1.00 0.00 O ATOM 1537 CB HIS A 98 74.328 36.593 -17.233 1.00 0.00 C ATOM 1538 CG HIS A 98 73.719 36.002 -15.999 1.00 0.00 C ATOM 1539 ND1 HIS A 98 72.714 35.058 -16.034 1.00 0.00 N ATOM 1540 CD2 HIS A 98 73.979 36.224 -14.690 1.00 0.00 C ATOM 1541 CE1 HIS A 98 72.381 34.727 -14.799 1.00 0.00 C ATOM 1542 NE2 HIS A 98 73.134 35.420 -13.965 1.00 0.00 N ATOM 0 H HIS A 98 75.244 36.830 -19.509 1.00 0.00 H new ATOM 0 HA HIS A 98 73.033 35.431 -18.493 1.00 0.00 H new ATOM 0 HB2 HIS A 98 75.295 36.123 -17.412 1.00 0.00 H new ATOM 0 HB3 HIS A 98 74.515 37.653 -17.064 1.00 0.00 H new ATOM 0 HD2 HIS A 98 74.714 36.906 -14.290 1.00 0.00 H new ATOM 0 HE1 HIS A 98 71.622 34.011 -14.519 1.00 0.00 H new ATOM 0 HE2 HIS A 98 73.095 35.367 -12.947 1.00 0.00 H new ATOM 1550 N LEU A 99 72.653 38.716 -18.641 1.00 0.00 N ATOM 1551 CA LEU A 99 71.655 39.781 -18.635 1.00 0.00 C ATOM 1552 C LEU A 99 70.556 39.503 -19.656 1.00 0.00 C ATOM 1553 O LEU A 99 69.426 39.966 -19.507 1.00 0.00 O ATOM 1554 CB LEU A 99 72.316 41.128 -18.934 1.00 0.00 C ATOM 1555 CG LEU A 99 72.250 42.170 -17.818 1.00 0.00 C ATOM 1556 CD1 LEU A 99 72.994 41.680 -16.585 1.00 0.00 C ATOM 1557 CD2 LEU A 99 72.821 43.498 -18.294 1.00 0.00 C ATOM 0 H LEU A 99 73.609 39.034 -18.801 1.00 0.00 H new ATOM 0 HA LEU A 99 71.204 39.817 -17.643 1.00 0.00 H new ATOM 0 HB2 LEU A 99 73.364 40.950 -19.176 1.00 0.00 H new ATOM 0 HB3 LEU A 99 71.850 41.549 -19.825 1.00 0.00 H new ATOM 0 HG LEU A 99 71.204 42.321 -17.550 1.00 0.00 H new ATOM 0 HD11 LEU A 99 72.936 42.435 -15.801 1.00 0.00 H new ATOM 0 HD12 LEU A 99 72.541 40.754 -16.231 1.00 0.00 H new ATOM 0 HD13 LEU A 99 74.039 41.499 -16.838 1.00 0.00 H new ATOM 0 HD21 LEU A 99 72.766 44.228 -17.487 1.00 0.00 H new ATOM 0 HD22 LEU A 99 73.861 43.362 -18.590 1.00 0.00 H new ATOM 0 HD23 LEU A 99 72.245 43.857 -19.147 1.00 0.00 H new ATOM 1569 N SER A 100 70.896 38.742 -20.691 1.00 0.00 N ATOM 1570 CA SER A 100 69.939 38.403 -21.738 1.00 0.00 C ATOM 1571 C SER A 100 69.191 37.118 -21.395 1.00 0.00 C ATOM 1572 O SER A 100 68.062 36.906 -21.837 1.00 0.00 O ATOM 1573 CB SER A 100 70.654 38.247 -23.081 1.00 0.00 C ATOM 1574 OG SER A 100 69.762 38.459 -24.161 1.00 0.00 O ATOM 0 H SER A 100 71.827 38.348 -20.827 1.00 0.00 H new ATOM 0 HA SER A 100 69.216 39.215 -21.812 1.00 0.00 H new ATOM 0 HB2 SER A 100 71.479 38.957 -23.142 1.00 0.00 H new ATOM 0 HB3 SER A 100 71.086 37.249 -23.153 1.00 0.00 H new ATOM 0 HG SER A 100 70.244 38.355 -25.008 1.00 0.00 H new ATOM 1580 N TYR A 101 69.830 36.263 -20.603 1.00 0.00 N ATOM 1581 CA TYR A 101 69.228 34.997 -20.202 1.00 0.00 C ATOM 1582 C TYR A 101 68.168 35.214 -19.126 1.00 0.00 C ATOM 1583 O TYR A 101 67.225 34.432 -18.999 1.00 0.00 O ATOM 1584 CB TYR A 101 70.302 34.037 -19.689 1.00 0.00 C ATOM 1585 CG TYR A 101 69.743 32.769 -19.086 1.00 0.00 C ATOM 1586 CD1 TYR A 101 69.435 32.697 -17.732 1.00 0.00 C ATOM 1587 CD2 TYR A 101 69.523 31.641 -19.868 1.00 0.00 C ATOM 1588 CE1 TYR A 101 68.924 31.541 -17.176 1.00 0.00 C ATOM 1589 CE2 TYR A 101 69.011 30.481 -19.320 1.00 0.00 C ATOM 1590 CZ TYR A 101 68.713 30.435 -17.974 1.00 0.00 C ATOM 1591 OH TYR A 101 68.205 29.281 -17.425 1.00 0.00 O ATOM 0 H TYR A 101 70.764 36.424 -20.226 1.00 0.00 H new ATOM 0 HA TYR A 101 68.747 34.560 -21.077 1.00 0.00 H new ATOM 0 HB2 TYR A 101 70.967 33.775 -20.512 1.00 0.00 H new ATOM 0 HB3 TYR A 101 70.907 34.549 -18.941 1.00 0.00 H new ATOM 0 HD1 TYR A 101 69.598 33.560 -17.104 1.00 0.00 H new ATOM 0 HD2 TYR A 101 69.756 31.672 -20.922 1.00 0.00 H new ATOM 0 HE1 TYR A 101 68.691 31.503 -16.122 1.00 0.00 H new ATOM 0 HE2 TYR A 101 68.845 29.614 -19.942 1.00 0.00 H new ATOM 0 HH TYR A 101 68.116 28.598 -18.123 1.00 0.00 H new ATOM 1601 N LEU A 102 68.330 36.283 -18.354 1.00 0.00 N ATOM 1602 CA LEU A 102 67.388 36.606 -17.288 1.00 0.00 C ATOM 1603 C LEU A 102 66.127 37.251 -17.853 1.00 0.00 C ATOM 1604 O LEU A 102 65.013 36.802 -17.582 1.00 0.00 O ATOM 1605 CB LEU A 102 68.041 37.543 -16.270 1.00 0.00 C ATOM 1606 CG LEU A 102 69.310 37.020 -15.595 1.00 0.00 C ATOM 1607 CD1 LEU A 102 70.231 38.173 -15.224 1.00 0.00 C ATOM 1608 CD2 LEU A 102 68.959 36.198 -14.363 1.00 0.00 C ATOM 0 H LEU A 102 69.104 36.940 -18.446 1.00 0.00 H new ATOM 0 HA LEU A 102 67.108 35.677 -16.791 1.00 0.00 H new ATOM 0 HB2 LEU A 102 68.280 38.481 -16.771 1.00 0.00 H new ATOM 0 HB3 LEU A 102 67.309 37.772 -15.495 1.00 0.00 H new ATOM 0 HG LEU A 102 69.834 36.375 -16.300 1.00 0.00 H new ATOM 0 HD11 LEU A 102 71.129 37.782 -14.745 1.00 0.00 H new ATOM 0 HD12 LEU A 102 70.509 38.720 -16.124 1.00 0.00 H new ATOM 0 HD13 LEU A 102 69.716 38.844 -14.536 1.00 0.00 H new ATOM 0 HD21 LEU A 102 69.874 35.834 -13.896 1.00 0.00 H new ATOM 0 HD22 LEU A 102 68.412 36.820 -13.654 1.00 0.00 H new ATOM 0 HD23 LEU A 102 68.339 35.350 -14.656 1.00 0.00 H new