USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=18 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 73:sc= 0.466 USER MOD Set 1.2: A 91 ASN : amide:sc= -1.06! C(o=-0.6!,f=-6.2!) USER MOD Set 2.1: A 57 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 98 HIS : no HE2:sc= 0.166 X(o=0.17,f=-0.16) USER MOD Set 3.1: A 43 GLN : amide:sc=-0.00144 X(o=-0.42,f=-0.42) USER MOD Set 3.2: A 69 ASN : amide:sc= -0.419 X(o=-0.42,f=-0.44) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.0637 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.201 USER MOD Single : A 45 HIS : no HD1:sc= -3.63! C(o=-3.6!,f=-6.2!) 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 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.236 K(o=-0.24,f=-0.81) USER MOD Single : A 70 MET CE :methyl -170:sc= -0.0152 (180deg=-0.194) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 CYS SG : rot 63:sc= -0.0682 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl -146:sc= -0.232 (180deg=-1.27!) USER MOD Single : A 79 ASN : amide:sc= -0.0132 X(o=-0.013,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 146:sc= 0.209 (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 66:sc= 0.111 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 64:sc= 0.354 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 459 N ILE A 33 66.032 38.017 -6.457 1.00 0.00 N ATOM 460 CA ILE A 33 67.231 38.012 -7.287 1.00 0.00 C ATOM 461 C ILE A 33 67.106 39.004 -8.438 1.00 0.00 C ATOM 462 O ILE A 33 68.098 39.579 -8.887 1.00 0.00 O ATOM 463 CB ILE A 33 67.513 36.611 -7.860 1.00 0.00 C ATOM 464 CG1 ILE A 33 68.844 36.602 -8.613 1.00 0.00 C ATOM 465 CG2 ILE A 33 66.378 36.174 -8.774 1.00 0.00 C ATOM 466 CD1 ILE A 33 69.502 35.241 -8.663 1.00 0.00 C ATOM 0 HA ILE A 33 68.061 38.307 -6.645 1.00 0.00 H new ATOM 0 HB ILE A 33 67.580 35.904 -7.033 1.00 0.00 H new ATOM 0 HG12 ILE A 33 68.678 36.954 -9.631 1.00 0.00 H new ATOM 0 HG13 ILE A 33 69.525 37.308 -8.139 1.00 0.00 H new ATOM 0 HG21 ILE A 33 66.592 35.182 -9.171 1.00 0.00 H new ATOM 0 HG22 ILE A 33 65.446 36.145 -8.209 1.00 0.00 H new ATOM 0 HG23 ILE A 33 66.281 36.881 -9.598 1.00 0.00 H new ATOM 0 HD11 ILE A 33 70.441 35.311 -9.212 1.00 0.00 H new ATOM 0 HD12 ILE A 33 69.700 34.895 -7.648 1.00 0.00 H new ATOM 0 HD13 ILE A 33 68.840 34.535 -9.164 1.00 0.00 H new ATOM 478 N VAL A 34 65.880 39.202 -8.912 1.00 0.00 N ATOM 479 CA VAL A 34 65.624 40.127 -10.009 1.00 0.00 C ATOM 480 C VAL A 34 64.190 40.643 -9.971 1.00 0.00 C ATOM 481 O VAL A 34 63.242 39.896 -9.728 1.00 0.00 O ATOM 482 CB VAL A 34 65.883 39.463 -11.375 1.00 0.00 C ATOM 483 CG1 VAL A 34 64.940 40.024 -12.429 1.00 0.00 C ATOM 484 CG2 VAL A 34 67.334 39.650 -11.792 1.00 0.00 C ATOM 0 H VAL A 34 65.048 38.734 -8.553 1.00 0.00 H new ATOM 0 HA VAL A 34 66.311 40.964 -9.883 1.00 0.00 H new ATOM 0 HB VAL A 34 65.691 38.394 -11.282 1.00 0.00 H new ATOM 0 HG11 VAL A 34 65.138 39.543 -13.387 1.00 0.00 H new ATOM 0 HG12 VAL A 34 63.908 39.833 -12.133 1.00 0.00 H new ATOM 0 HG13 VAL A 34 65.097 41.098 -12.523 1.00 0.00 H new ATOM 0 HG21 VAL A 34 67.499 39.175 -12.759 1.00 0.00 H new ATOM 0 HG22 VAL A 34 67.556 40.714 -11.868 1.00 0.00 H new ATOM 0 HG23 VAL A 34 67.988 39.195 -11.048 1.00 0.00 H new ATOM 494 N PRO A 35 64.025 41.951 -10.217 1.00 0.00 N ATOM 495 CA PRO A 35 62.709 42.596 -10.217 1.00 0.00 C ATOM 496 C PRO A 35 61.852 42.165 -11.402 1.00 0.00 C ATOM 497 O PRO A 35 60.686 41.807 -11.240 1.00 0.00 O ATOM 498 CB PRO A 35 63.044 44.087 -10.313 1.00 0.00 C ATOM 499 CG PRO A 35 64.380 44.132 -10.973 1.00 0.00 C ATOM 500 CD PRO A 35 65.110 42.901 -10.514 1.00 0.00 C ATOM 0 HA PRO A 35 62.126 42.332 -9.334 1.00 0.00 H new ATOM 0 HB2 PRO A 35 62.296 44.624 -10.896 1.00 0.00 H new ATOM 0 HB3 PRO A 35 63.073 44.551 -9.327 1.00 0.00 H new ATOM 0 HG2 PRO A 35 64.279 44.144 -12.058 1.00 0.00 H new ATOM 0 HG3 PRO A 35 64.923 45.035 -10.694 1.00 0.00 H new ATOM 0 HD2 PRO A 35 65.778 42.519 -11.286 1.00 0.00 H new ATOM 0 HD3 PRO A 35 65.721 43.101 -9.634 1.00 0.00 H new ATOM 508 N ALA A 36 62.438 42.202 -12.595 1.00 0.00 N ATOM 509 CA ALA A 36 61.728 41.813 -13.807 1.00 0.00 C ATOM 510 C ALA A 36 62.637 41.906 -15.028 1.00 0.00 C ATOM 511 O ALA A 36 63.080 40.890 -15.563 1.00 0.00 O ATOM 512 CB ALA A 36 60.494 42.682 -13.998 1.00 0.00 C ATOM 0 H ALA A 36 63.402 42.497 -12.747 1.00 0.00 H new ATOM 0 HA ALA A 36 61.414 40.775 -13.698 1.00 0.00 H new ATOM 0 HB1 ALA A 36 59.974 42.380 -14.907 1.00 0.00 H new ATOM 0 HB2 ALA A 36 59.829 42.563 -13.143 1.00 0.00 H new ATOM 0 HB3 ALA A 36 60.794 43.727 -14.081 1.00 0.00 H new ATOM 518 N ASP A 37 62.909 43.131 -15.465 1.00 0.00 N ATOM 519 CA ASP A 37 63.765 43.356 -16.624 1.00 0.00 C ATOM 520 C ASP A 37 65.015 44.139 -16.232 1.00 0.00 C ATOM 521 O ASP A 37 65.064 44.798 -15.194 1.00 0.00 O ATOM 522 CB ASP A 37 62.998 44.108 -17.713 1.00 0.00 C ATOM 523 CG ASP A 37 62.287 43.172 -18.671 1.00 0.00 C ATOM 524 OD1 ASP A 37 62.954 42.278 -19.231 1.00 0.00 O ATOM 525 OD2 ASP A 37 61.063 43.335 -18.861 1.00 0.00 O ATOM 0 H ASP A 37 62.549 43.983 -15.034 1.00 0.00 H new ATOM 0 HA ASP A 37 64.073 42.385 -17.012 1.00 0.00 H new ATOM 0 HB2 ASP A 37 62.268 44.770 -17.248 1.00 0.00 H new ATOM 0 HB3 ASP A 37 63.690 44.738 -18.272 1.00 0.00 H new ATOM 530 N PRO A 38 66.050 44.065 -17.082 1.00 0.00 N ATOM 531 CA PRO A 38 67.319 44.760 -16.846 1.00 0.00 C ATOM 532 C PRO A 38 67.186 46.273 -16.985 1.00 0.00 C ATOM 533 O PRO A 38 68.057 47.026 -16.549 1.00 0.00 O ATOM 534 CB PRO A 38 68.237 44.202 -17.936 1.00 0.00 C ATOM 535 CG PRO A 38 67.315 43.769 -19.023 1.00 0.00 C ATOM 536 CD PRO A 38 66.061 43.299 -18.339 1.00 0.00 C ATOM 0 HA PRO A 38 67.690 44.599 -15.834 1.00 0.00 H new ATOM 0 HB2 PRO A 38 68.938 44.959 -18.289 1.00 0.00 H new ATOM 0 HB3 PRO A 38 68.831 43.367 -17.564 1.00 0.00 H new ATOM 0 HG2 PRO A 38 67.102 44.592 -19.705 1.00 0.00 H new ATOM 0 HG3 PRO A 38 67.759 42.970 -19.616 1.00 0.00 H new ATOM 0 HD2 PRO A 38 65.175 43.502 -18.941 1.00 0.00 H new ATOM 0 HD3 PRO A 38 66.082 42.225 -18.155 1.00 0.00 H new ATOM 544 N THR A 39 66.089 46.713 -17.594 1.00 0.00 N ATOM 545 CA THR A 39 65.843 48.136 -17.791 1.00 0.00 C ATOM 546 C THR A 39 65.335 48.788 -16.511 1.00 0.00 C ATOM 547 O THR A 39 65.612 49.959 -16.246 1.00 0.00 O ATOM 548 CB THR A 39 64.821 48.378 -18.918 1.00 0.00 C ATOM 549 OG1 THR A 39 63.518 47.957 -18.497 1.00 0.00 O ATOM 550 CG2 THR A 39 65.218 47.628 -20.180 1.00 0.00 C ATOM 0 H THR A 39 65.357 46.104 -17.959 1.00 0.00 H new ATOM 0 HA THR A 39 66.795 48.586 -18.071 1.00 0.00 H new ATOM 0 HB THR A 39 64.804 49.445 -19.139 1.00 0.00 H new ATOM 0 HG1 THR A 39 62.874 48.116 -19.218 1.00 0.00 H new ATOM 0 HG21 THR A 39 64.481 47.815 -20.961 1.00 0.00 H new ATOM 0 HG22 THR A 39 66.197 47.972 -20.515 1.00 0.00 H new ATOM 0 HG23 THR A 39 65.261 46.559 -19.970 1.00 0.00 H new ATOM 558 N LEU A 40 64.590 48.025 -15.718 1.00 0.00 N ATOM 559 CA LEU A 40 64.044 48.529 -14.463 1.00 0.00 C ATOM 560 C LEU A 40 64.847 48.013 -13.273 1.00 0.00 C ATOM 561 O LEU A 40 64.287 47.454 -12.330 1.00 0.00 O ATOM 562 CB LEU A 40 62.577 48.117 -14.321 1.00 0.00 C ATOM 563 CG LEU A 40 61.735 48.183 -15.595 1.00 0.00 C ATOM 564 CD1 LEU A 40 60.381 47.527 -15.374 1.00 0.00 C ATOM 565 CD2 LEU A 40 61.564 49.625 -16.047 1.00 0.00 C ATOM 0 H LEU A 40 64.350 47.055 -15.922 1.00 0.00 H new ATOM 0 HA LEU A 40 64.110 49.617 -14.477 1.00 0.00 H new ATOM 0 HB2 LEU A 40 62.542 47.097 -13.939 1.00 0.00 H new ATOM 0 HB3 LEU A 40 62.112 48.755 -13.569 1.00 0.00 H new ATOM 0 HG LEU A 40 62.256 47.637 -16.381 1.00 0.00 H new ATOM 0 HD11 LEU A 40 59.795 47.583 -16.292 1.00 0.00 H new ATOM 0 HD12 LEU A 40 60.524 46.482 -15.098 1.00 0.00 H new ATOM 0 HD13 LEU A 40 59.852 48.045 -14.574 1.00 0.00 H new ATOM 0 HD21 LEU A 40 60.962 49.653 -16.955 1.00 0.00 H new ATOM 0 HD22 LEU A 40 61.065 50.195 -15.263 1.00 0.00 H new ATOM 0 HD23 LEU A 40 62.542 50.062 -16.247 1.00 0.00 H new ATOM 577 N TRP A 41 66.160 48.205 -13.324 1.00 0.00 N ATOM 578 CA TRP A 41 67.039 47.761 -12.249 1.00 0.00 C ATOM 579 C TRP A 41 67.447 48.932 -11.361 1.00 0.00 C ATOM 580 O TRP A 41 67.281 50.094 -11.732 1.00 0.00 O ATOM 581 CB TRP A 41 68.284 47.086 -12.827 1.00 0.00 C ATOM 582 CG TRP A 41 68.169 45.593 -12.901 1.00 0.00 C ATOM 583 CD1 TRP A 41 67.019 44.864 -13.010 1.00 0.00 C ATOM 584 CD2 TRP A 41 69.244 44.648 -12.870 1.00 0.00 C ATOM 585 NE1 TRP A 41 67.315 43.523 -13.049 1.00 0.00 N ATOM 586 CE2 TRP A 41 68.673 43.364 -12.965 1.00 0.00 C ATOM 587 CE3 TRP A 41 70.634 44.762 -12.772 1.00 0.00 C ATOM 588 CZ2 TRP A 41 69.445 42.205 -12.964 1.00 0.00 C ATOM 589 CZ3 TRP A 41 71.398 43.611 -12.771 1.00 0.00 C ATOM 590 CH2 TRP A 41 70.802 42.346 -12.867 1.00 0.00 C ATOM 0 H TRP A 41 66.639 48.665 -14.098 1.00 0.00 H new ATOM 0 HA TRP A 41 66.493 47.040 -11.640 1.00 0.00 H new ATOM 0 HB2 TRP A 41 68.471 47.479 -13.826 1.00 0.00 H new ATOM 0 HB3 TRP A 41 69.147 47.347 -12.215 1.00 0.00 H new ATOM 0 HD1 TRP A 41 66.024 45.280 -13.058 1.00 0.00 H new ATOM 0 HE1 TRP A 41 66.634 42.768 -13.128 1.00 0.00 H new ATOM 0 HE3 TRP A 41 71.102 45.733 -12.698 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 68.988 41.229 -13.037 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 72.473 43.687 -12.695 1.00 0.00 H new ATOM 0 HH2 TRP A 41 71.427 41.465 -12.864 1.00 0.00 H new ATOM 601 N THR A 42 67.983 48.619 -10.185 1.00 0.00 N ATOM 602 CA THR A 42 68.413 49.644 -9.244 1.00 0.00 C ATOM 603 C THR A 42 69.881 49.467 -8.871 1.00 0.00 C ATOM 604 O THR A 42 70.488 48.441 -9.176 1.00 0.00 O ATOM 605 CB THR A 42 67.562 49.622 -7.960 1.00 0.00 C ATOM 606 OG1 THR A 42 67.887 50.747 -7.137 1.00 0.00 O ATOM 607 CG2 THR A 42 67.792 48.335 -7.182 1.00 0.00 C ATOM 0 H THR A 42 68.129 47.663 -9.862 1.00 0.00 H new ATOM 0 HA THR A 42 68.281 50.605 -9.741 1.00 0.00 H new ATOM 0 HB THR A 42 66.511 49.674 -8.246 1.00 0.00 H new ATOM 0 HG1 THR A 42 67.340 50.726 -6.324 1.00 0.00 H new ATOM 0 HG21 THR A 42 67.181 48.341 -6.279 1.00 0.00 H new ATOM 0 HG22 THR A 42 67.516 47.481 -7.801 1.00 0.00 H new ATOM 0 HG23 THR A 42 68.844 48.259 -6.907 1.00 0.00 H new ATOM 615 N GLN A 43 70.443 50.473 -8.209 1.00 0.00 N ATOM 616 CA GLN A 43 71.841 50.427 -7.794 1.00 0.00 C ATOM 617 C GLN A 43 72.114 49.194 -6.938 1.00 0.00 C ATOM 618 O GLN A 43 73.242 48.707 -6.878 1.00 0.00 O ATOM 619 CB GLN A 43 72.206 51.693 -7.017 1.00 0.00 C ATOM 620 CG GLN A 43 71.549 51.779 -5.649 1.00 0.00 C ATOM 621 CD GLN A 43 71.726 53.138 -5.001 1.00 0.00 C ATOM 622 OE1 GLN A 43 72.574 53.315 -4.126 1.00 0.00 O ATOM 623 NE2 GLN A 43 70.924 54.106 -5.428 1.00 0.00 N ATOM 0 H GLN A 43 69.953 51.329 -7.949 1.00 0.00 H new ATOM 0 HA GLN A 43 72.459 50.369 -8.690 1.00 0.00 H new ATOM 0 HB2 GLN A 43 73.288 51.734 -6.894 1.00 0.00 H new ATOM 0 HB3 GLN A 43 71.918 52.565 -7.604 1.00 0.00 H new ATOM 0 HG2 GLN A 43 70.485 51.563 -5.747 1.00 0.00 H new ATOM 0 HG3 GLN A 43 71.971 51.013 -4.999 1.00 0.00 H new ATOM 0 HE21 GLN A 43 70.235 53.914 -6.156 1.00 0.00 H new ATOM 0 HE22 GLN A 43 70.996 55.042 -5.029 1.00 0.00 H new ATOM 632 N GLU A 44 71.074 48.696 -6.277 1.00 0.00 N ATOM 633 CA GLU A 44 71.203 47.521 -5.424 1.00 0.00 C ATOM 634 C GLU A 44 71.277 46.247 -6.260 1.00 0.00 C ATOM 635 O GLU A 44 71.843 45.241 -5.831 1.00 0.00 O ATOM 636 CB GLU A 44 70.026 47.438 -4.450 1.00 0.00 C ATOM 637 CG GLU A 44 70.445 47.270 -3.000 1.00 0.00 C ATOM 638 CD GLU A 44 69.363 46.636 -2.148 1.00 0.00 C ATOM 639 OE1 GLU A 44 69.318 45.390 -2.076 1.00 0.00 O ATOM 640 OE2 GLU A 44 68.560 47.386 -1.555 1.00 0.00 O ATOM 0 H GLU A 44 70.133 49.088 -6.316 1.00 0.00 H new ATOM 0 HA GLU A 44 72.129 47.616 -4.856 1.00 0.00 H new ATOM 0 HB2 GLU A 44 69.424 48.342 -4.543 1.00 0.00 H new ATOM 0 HB3 GLU A 44 69.389 46.601 -4.734 1.00 0.00 H new ATOM 0 HG2 GLU A 44 71.344 46.655 -2.955 1.00 0.00 H new ATOM 0 HG3 GLU A 44 70.704 48.244 -2.586 1.00 0.00 H new ATOM 647 N HIS A 45 70.700 46.297 -7.457 1.00 0.00 N ATOM 648 CA HIS A 45 70.700 45.147 -8.354 1.00 0.00 C ATOM 649 C HIS A 45 71.941 45.152 -9.243 1.00 0.00 C ATOM 650 O HIS A 45 72.409 44.100 -9.678 1.00 0.00 O ATOM 651 CB HIS A 45 69.439 45.148 -9.218 1.00 0.00 C ATOM 652 CG HIS A 45 68.217 44.672 -8.495 1.00 0.00 C ATOM 653 ND1 HIS A 45 67.087 45.446 -8.337 1.00 0.00 N ATOM 654 CD2 HIS A 45 67.951 43.492 -7.888 1.00 0.00 C ATOM 655 CE1 HIS A 45 66.180 44.763 -7.661 1.00 0.00 C ATOM 656 NE2 HIS A 45 66.679 43.574 -7.377 1.00 0.00 N ATOM 0 H HIS A 45 70.227 47.121 -7.828 1.00 0.00 H new ATOM 0 HA HIS A 45 70.714 44.242 -7.746 1.00 0.00 H new ATOM 0 HB2 HIS A 45 69.262 46.158 -9.587 1.00 0.00 H new ATOM 0 HB3 HIS A 45 69.605 44.515 -10.090 1.00 0.00 H new ATOM 0 HD2 HIS A 45 68.616 42.644 -7.818 1.00 0.00 H new ATOM 0 HE1 HIS A 45 65.197 45.117 -7.387 1.00 0.00 H new ATOM 0 HE2 HIS A 45 66.198 42.837 -6.862 1.00 0.00 H new ATOM 664 N VAL A 46 72.467 46.343 -9.510 1.00 0.00 N ATOM 665 CA VAL A 46 73.652 46.484 -10.347 1.00 0.00 C ATOM 666 C VAL A 46 74.914 46.101 -9.582 1.00 0.00 C ATOM 667 O VAL A 46 75.903 45.666 -10.173 1.00 0.00 O ATOM 668 CB VAL A 46 73.800 47.925 -10.871 1.00 0.00 C ATOM 669 CG1 VAL A 46 74.983 48.029 -11.821 1.00 0.00 C ATOM 670 CG2 VAL A 46 72.518 48.379 -11.551 1.00 0.00 C ATOM 0 H VAL A 46 72.091 47.224 -9.159 1.00 0.00 H new ATOM 0 HA VAL A 46 73.525 45.809 -11.193 1.00 0.00 H new ATOM 0 HB VAL A 46 73.987 48.584 -10.023 1.00 0.00 H new ATOM 0 HG11 VAL A 46 75.072 49.054 -12.181 1.00 0.00 H new ATOM 0 HG12 VAL A 46 75.896 47.748 -11.297 1.00 0.00 H new ATOM 0 HG13 VAL A 46 74.830 47.359 -12.667 1.00 0.00 H new ATOM 0 HG21 VAL A 46 72.641 49.399 -11.915 1.00 0.00 H new ATOM 0 HG22 VAL A 46 72.297 47.719 -12.390 1.00 0.00 H new ATOM 0 HG23 VAL A 46 71.696 48.345 -10.837 1.00 0.00 H new ATOM 680 N ARG A 47 74.873 46.265 -8.264 1.00 0.00 N ATOM 681 CA ARG A 47 76.013 45.937 -7.417 1.00 0.00 C ATOM 682 C ARG A 47 75.942 44.487 -6.947 1.00 0.00 C ATOM 683 O ARG A 47 76.916 43.743 -7.052 1.00 0.00 O ATOM 684 CB ARG A 47 76.065 46.874 -6.209 1.00 0.00 C ATOM 685 CG ARG A 47 76.757 48.197 -6.494 1.00 0.00 C ATOM 686 CD ARG A 47 76.188 49.319 -5.639 1.00 0.00 C ATOM 687 NE ARG A 47 77.230 50.220 -5.154 1.00 0.00 N ATOM 688 CZ ARG A 47 77.015 51.176 -4.257 1.00 0.00 C ATOM 689 NH1 ARG A 47 75.803 51.354 -3.750 1.00 0.00 N ATOM 690 NH2 ARG A 47 78.015 51.956 -3.865 1.00 0.00 N ATOM 0 H ARG A 47 74.062 46.623 -7.759 1.00 0.00 H new ATOM 0 HA ARG A 47 76.920 46.066 -8.007 1.00 0.00 H new ATOM 0 HB2 ARG A 47 75.048 47.071 -5.869 1.00 0.00 H new ATOM 0 HB3 ARG A 47 76.583 46.371 -5.392 1.00 0.00 H new ATOM 0 HG2 ARG A 47 77.826 48.099 -6.303 1.00 0.00 H new ATOM 0 HG3 ARG A 47 76.644 48.448 -7.549 1.00 0.00 H new ATOM 0 HD2 ARG A 47 75.461 49.885 -6.221 1.00 0.00 H new ATOM 0 HD3 ARG A 47 75.654 48.893 -4.790 1.00 0.00 H new ATOM 0 HE ARG A 47 78.174 50.109 -5.524 1.00 0.00 H new ATOM 0 HH11 ARG A 47 75.032 50.756 -4.048 1.00 0.00 H new ATOM 0 HH12 ARG A 47 75.641 52.089 -3.061 1.00 0.00 H new ATOM 0 HH21 ARG A 47 78.949 51.821 -4.253 1.00 0.00 H new ATOM 0 HH22 ARG A 47 77.850 52.690 -3.176 1.00 0.00 H new ATOM 704 N GLN A 48 74.783 44.095 -6.427 1.00 0.00 N ATOM 705 CA GLN A 48 74.586 42.735 -5.940 1.00 0.00 C ATOM 706 C GLN A 48 74.835 41.718 -7.049 1.00 0.00 C ATOM 707 O GLN A 48 75.567 40.747 -6.861 1.00 0.00 O ATOM 708 CB GLN A 48 73.169 42.569 -5.388 1.00 0.00 C ATOM 709 CG GLN A 48 72.965 43.222 -4.030 1.00 0.00 C ATOM 710 CD GLN A 48 73.271 42.284 -2.879 1.00 0.00 C ATOM 711 OE1 GLN A 48 72.379 41.617 -2.353 1.00 0.00 O ATOM 712 NE2 GLN A 48 74.536 42.227 -2.482 1.00 0.00 N ATOM 0 H GLN A 48 73.967 44.700 -6.332 1.00 0.00 H new ATOM 0 HA GLN A 48 75.304 42.555 -5.140 1.00 0.00 H new ATOM 0 HB2 GLN A 48 72.459 42.995 -6.097 1.00 0.00 H new ATOM 0 HB3 GLN A 48 72.941 41.506 -5.309 1.00 0.00 H new ATOM 0 HG2 GLN A 48 73.603 44.103 -3.955 1.00 0.00 H new ATOM 0 HG3 GLN A 48 71.934 43.567 -3.948 1.00 0.00 H new ATOM 0 HE21 GLN A 48 75.243 42.797 -2.947 1.00 0.00 H new ATOM 0 HE22 GLN A 48 74.802 41.613 -1.712 1.00 0.00 H new ATOM 721 N TRP A 49 74.220 41.948 -8.204 1.00 0.00 N ATOM 722 CA TRP A 49 74.375 41.051 -9.343 1.00 0.00 C ATOM 723 C TRP A 49 75.849 40.821 -9.659 1.00 0.00 C ATOM 724 O TRP A 49 76.295 39.681 -9.795 1.00 0.00 O ATOM 725 CB TRP A 49 73.661 41.622 -10.569 1.00 0.00 C ATOM 726 CG TRP A 49 73.907 40.835 -11.821 1.00 0.00 C ATOM 727 CD1 TRP A 49 73.513 39.551 -12.072 1.00 0.00 C ATOM 728 CD2 TRP A 49 74.603 41.279 -12.990 1.00 0.00 C ATOM 729 NE1 TRP A 49 73.923 39.171 -13.327 1.00 0.00 N ATOM 730 CE2 TRP A 49 74.593 40.214 -13.911 1.00 0.00 C ATOM 731 CE3 TRP A 49 75.232 42.474 -13.349 1.00 0.00 C ATOM 732 CZ2 TRP A 49 75.189 40.309 -15.166 1.00 0.00 C ATOM 733 CZ3 TRP A 49 75.823 42.568 -14.595 1.00 0.00 C ATOM 734 CH2 TRP A 49 75.798 41.491 -15.491 1.00 0.00 C ATOM 0 H TRP A 49 73.610 42.747 -8.376 1.00 0.00 H new ATOM 0 HA TRP A 49 73.925 40.093 -9.083 1.00 0.00 H new ATOM 0 HB2 TRP A 49 72.589 41.654 -10.374 1.00 0.00 H new ATOM 0 HB3 TRP A 49 73.988 42.650 -10.725 1.00 0.00 H new ATOM 0 HD1 TRP A 49 72.961 38.927 -11.385 1.00 0.00 H new ATOM 0 HE1 TRP A 49 73.756 38.260 -13.755 1.00 0.00 H new ATOM 0 HE3 TRP A 49 75.256 43.309 -12.665 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 75.171 39.480 -15.858 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 76.312 43.487 -14.883 1.00 0.00 H new ATOM 0 HH2 TRP A 49 76.269 41.596 -16.457 1.00 0.00 H new ATOM 745 N LEU A 50 76.601 41.910 -9.776 1.00 0.00 N ATOM 746 CA LEU A 50 78.026 41.827 -10.076 1.00 0.00 C ATOM 747 C LEU A 50 78.760 41.014 -9.014 1.00 0.00 C ATOM 748 O LEU A 50 79.432 40.032 -9.325 1.00 0.00 O ATOM 749 CB LEU A 50 78.630 43.229 -10.169 1.00 0.00 C ATOM 750 CG LEU A 50 79.852 43.374 -11.077 1.00 0.00 C ATOM 751 CD1 LEU A 50 79.423 43.540 -12.526 1.00 0.00 C ATOM 752 CD2 LEU A 50 80.708 44.552 -10.634 1.00 0.00 C ATOM 0 H LEU A 50 76.248 42.861 -9.668 1.00 0.00 H new ATOM 0 HA LEU A 50 78.141 41.324 -11.036 1.00 0.00 H new ATOM 0 HB2 LEU A 50 77.858 43.913 -10.521 1.00 0.00 H new ATOM 0 HB3 LEU A 50 78.908 43.551 -9.165 1.00 0.00 H new ATOM 0 HG LEU A 50 80.450 42.466 -10.998 1.00 0.00 H new ATOM 0 HD11 LEU A 50 80.306 43.642 -13.157 1.00 0.00 H new ATOM 0 HD12 LEU A 50 78.852 42.666 -12.839 1.00 0.00 H new ATOM 0 HD13 LEU A 50 78.803 44.432 -12.622 1.00 0.00 H new ATOM 0 HD21 LEU A 50 81.573 44.640 -11.291 1.00 0.00 H new ATOM 0 HD22 LEU A 50 80.120 45.468 -10.683 1.00 0.00 H new ATOM 0 HD23 LEU A 50 81.045 44.392 -9.610 1.00 0.00 H new ATOM 764 N GLU A 51 78.623 41.430 -7.758 1.00 0.00 N ATOM 765 CA GLU A 51 79.272 40.739 -6.651 1.00 0.00 C ATOM 766 C GLU A 51 78.944 39.249 -6.672 1.00 0.00 C ATOM 767 O GLU A 51 79.833 38.405 -6.553 1.00 0.00 O ATOM 768 CB GLU A 51 78.839 41.349 -5.316 1.00 0.00 C ATOM 769 CG GLU A 51 79.439 42.718 -5.048 1.00 0.00 C ATOM 770 CD GLU A 51 79.864 42.897 -3.604 1.00 0.00 C ATOM 771 OE1 GLU A 51 79.012 42.721 -2.708 1.00 0.00 O ATOM 772 OE2 GLU A 51 81.049 43.213 -3.369 1.00 0.00 O ATOM 0 H GLU A 51 78.069 42.241 -7.483 1.00 0.00 H new ATOM 0 HA GLU A 51 80.350 40.858 -6.764 1.00 0.00 H new ATOM 0 HB2 GLU A 51 77.752 41.429 -5.298 1.00 0.00 H new ATOM 0 HB3 GLU A 51 79.122 40.673 -4.509 1.00 0.00 H new ATOM 0 HG2 GLU A 51 80.302 42.866 -5.698 1.00 0.00 H new ATOM 0 HG3 GLU A 51 78.710 43.487 -5.306 1.00 0.00 H new ATOM 779 N TRP A 52 77.663 38.933 -6.824 1.00 0.00 N ATOM 780 CA TRP A 52 77.217 37.545 -6.860 1.00 0.00 C ATOM 781 C TRP A 52 77.862 36.797 -8.021 1.00 0.00 C ATOM 782 O TRP A 52 78.351 35.680 -7.857 1.00 0.00 O ATOM 783 CB TRP A 52 75.694 37.480 -6.978 1.00 0.00 C ATOM 784 CG TRP A 52 75.158 36.081 -6.995 1.00 0.00 C ATOM 785 CD1 TRP A 52 74.704 35.364 -5.925 1.00 0.00 C ATOM 786 CD2 TRP A 52 75.023 35.229 -8.138 1.00 0.00 C ATOM 787 NE1 TRP A 52 74.295 34.117 -6.334 1.00 0.00 N ATOM 788 CE2 TRP A 52 74.480 34.010 -7.687 1.00 0.00 C ATOM 789 CE3 TRP A 52 75.307 35.378 -9.498 1.00 0.00 C ATOM 790 CZ2 TRP A 52 74.216 32.949 -8.549 1.00 0.00 C ATOM 791 CZ3 TRP A 52 75.045 34.323 -10.352 1.00 0.00 C ATOM 792 CH2 TRP A 52 74.504 33.122 -9.876 1.00 0.00 C ATOM 0 H TRP A 52 76.915 39.619 -6.924 1.00 0.00 H new ATOM 0 HA TRP A 52 77.522 37.067 -5.929 1.00 0.00 H new ATOM 0 HB2 TRP A 52 75.249 38.022 -6.143 1.00 0.00 H new ATOM 0 HB3 TRP A 52 75.385 37.991 -7.890 1.00 0.00 H new ATOM 0 HD1 TRP A 52 74.671 35.724 -4.907 1.00 0.00 H new ATOM 0 HE1 TRP A 52 73.915 33.389 -5.728 1.00 0.00 H new ATOM 0 HE3 TRP A 52 75.724 36.300 -9.875 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 73.799 32.022 -8.184 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 75.261 34.427 -11.405 1.00 0.00 H new ATOM 0 HH2 TRP A 52 74.310 32.317 -10.569 1.00 0.00 H new ATOM 803 N ALA A 53 77.858 37.419 -9.196 1.00 0.00 N ATOM 804 CA ALA A 53 78.444 36.812 -10.384 1.00 0.00 C ATOM 805 C ALA A 53 79.926 36.518 -10.176 1.00 0.00 C ATOM 806 O ALA A 53 80.377 35.388 -10.365 1.00 0.00 O ATOM 807 CB ALA A 53 78.247 37.717 -11.591 1.00 0.00 C ATOM 0 H ALA A 53 77.455 38.343 -9.350 1.00 0.00 H new ATOM 0 HA ALA A 53 77.935 35.866 -10.567 1.00 0.00 H new ATOM 0 HB1 ALA A 53 78.690 37.251 -12.471 1.00 0.00 H new ATOM 0 HB2 ALA A 53 77.181 37.872 -11.760 1.00 0.00 H new ATOM 0 HB3 ALA A 53 78.729 38.678 -11.408 1.00 0.00 H new ATOM 813 N ILE A 54 80.678 37.543 -9.788 1.00 0.00 N ATOM 814 CA ILE A 54 82.109 37.394 -9.554 1.00 0.00 C ATOM 815 C ILE A 54 82.387 36.310 -8.518 1.00 0.00 C ATOM 816 O ILE A 54 83.459 35.703 -8.510 1.00 0.00 O ATOM 817 CB ILE A 54 82.743 38.715 -9.082 1.00 0.00 C ATOM 818 CG1 ILE A 54 82.503 39.819 -10.114 1.00 0.00 C ATOM 819 CG2 ILE A 54 84.233 38.529 -8.834 1.00 0.00 C ATOM 820 CD1 ILE A 54 82.720 41.213 -9.568 1.00 0.00 C ATOM 0 H ILE A 54 80.320 38.485 -9.629 1.00 0.00 H new ATOM 0 HA ILE A 54 82.556 37.106 -10.506 1.00 0.00 H new ATOM 0 HB ILE A 54 82.273 39.012 -8.144 1.00 0.00 H new ATOM 0 HG12 ILE A 54 83.168 39.662 -10.963 1.00 0.00 H new ATOM 0 HG13 ILE A 54 81.483 39.739 -10.489 1.00 0.00 H new ATOM 0 HG21 ILE A 54 84.667 39.472 -8.501 1.00 0.00 H new ATOM 0 HG22 ILE A 54 84.382 37.770 -8.066 1.00 0.00 H new ATOM 0 HG23 ILE A 54 84.719 38.212 -9.757 1.00 0.00 H new ATOM 0 HD11 ILE A 54 82.532 41.945 -10.354 1.00 0.00 H new ATOM 0 HD12 ILE A 54 82.036 41.389 -8.737 1.00 0.00 H new ATOM 0 HD13 ILE A 54 83.748 41.311 -9.219 1.00 0.00 H new ATOM 832 N LYS A 55 81.415 36.070 -7.645 1.00 0.00 N ATOM 833 CA LYS A 55 81.552 35.058 -6.605 1.00 0.00 C ATOM 834 C LYS A 55 81.298 33.663 -7.167 1.00 0.00 C ATOM 835 O LYS A 55 82.174 32.800 -7.130 1.00 0.00 O ATOM 836 CB LYS A 55 80.580 35.341 -5.457 1.00 0.00 C ATOM 837 CG LYS A 55 81.253 35.895 -4.214 1.00 0.00 C ATOM 838 CD LYS A 55 80.586 35.389 -2.946 1.00 0.00 C ATOM 839 CE LYS A 55 81.547 34.569 -2.099 1.00 0.00 C ATOM 840 NZ LYS A 55 80.827 33.649 -1.175 1.00 0.00 N ATOM 0 H LYS A 55 80.522 36.564 -7.637 1.00 0.00 H new ATOM 0 HA LYS A 55 82.573 35.098 -6.226 1.00 0.00 H new ATOM 0 HB2 LYS A 55 79.825 36.049 -5.798 1.00 0.00 H new ATOM 0 HB3 LYS A 55 80.059 34.420 -5.198 1.00 0.00 H new ATOM 0 HG2 LYS A 55 82.305 35.610 -4.211 1.00 0.00 H new ATOM 0 HG3 LYS A 55 81.218 36.984 -4.235 1.00 0.00 H new ATOM 0 HD2 LYS A 55 80.218 36.235 -2.365 1.00 0.00 H new ATOM 0 HD3 LYS A 55 79.720 34.781 -3.207 1.00 0.00 H new ATOM 0 HE2 LYS A 55 82.202 33.990 -2.750 1.00 0.00 H new ATOM 0 HE3 LYS A 55 82.184 35.239 -1.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 81.517 33.108 -0.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 80.221 34.203 -0.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 80.239 32.993 -1.727 1.00 0.00 H new ATOM 854 N GLU A 56 80.094 33.450 -7.689 1.00 0.00 N ATOM 855 CA GLU A 56 79.726 32.159 -8.260 1.00 0.00 C ATOM 856 C GLU A 56 80.659 31.787 -9.408 1.00 0.00 C ATOM 857 O GLU A 56 81.349 30.768 -9.356 1.00 0.00 O ATOM 858 CB GLU A 56 78.278 32.188 -8.753 1.00 0.00 C ATOM 859 CG GLU A 56 77.640 30.813 -8.848 1.00 0.00 C ATOM 860 CD GLU A 56 78.331 29.917 -9.857 1.00 0.00 C ATOM 861 OE1 GLU A 56 78.671 30.409 -10.953 1.00 0.00 O ATOM 862 OE2 GLU A 56 78.532 28.723 -9.550 1.00 0.00 O ATOM 0 H GLU A 56 79.357 34.154 -7.728 1.00 0.00 H new ATOM 0 HA GLU A 56 79.820 31.405 -7.479 1.00 0.00 H new ATOM 0 HB2 GLU A 56 77.686 32.808 -8.080 1.00 0.00 H new ATOM 0 HB3 GLU A 56 78.246 32.662 -9.734 1.00 0.00 H new ATOM 0 HG2 GLU A 56 77.665 30.337 -7.868 1.00 0.00 H new ATOM 0 HG3 GLU A 56 76.591 30.922 -9.123 1.00 0.00 H new ATOM 869 N TYR A 57 80.674 32.618 -10.444 1.00 0.00 N ATOM 870 CA TYR A 57 81.520 32.376 -11.607 1.00 0.00 C ATOM 871 C TYR A 57 82.995 32.380 -11.218 1.00 0.00 C ATOM 872 O TYR A 57 83.824 31.751 -11.876 1.00 0.00 O ATOM 873 CB TYR A 57 81.261 33.434 -12.681 1.00 0.00 C ATOM 874 CG TYR A 57 79.908 33.306 -13.343 1.00 0.00 C ATOM 875 CD1 TYR A 57 78.758 33.766 -12.713 1.00 0.00 C ATOM 876 CD2 TYR A 57 79.780 32.727 -14.599 1.00 0.00 C ATOM 877 CE1 TYR A 57 77.520 33.651 -13.315 1.00 0.00 C ATOM 878 CE2 TYR A 57 78.546 32.609 -15.209 1.00 0.00 C ATOM 879 CZ TYR A 57 77.419 33.072 -14.562 1.00 0.00 C ATOM 880 OH TYR A 57 76.187 32.957 -15.165 1.00 0.00 O ATOM 0 H TYR A 57 80.110 33.466 -10.502 1.00 0.00 H new ATOM 0 HA TYR A 57 81.271 31.393 -12.007 1.00 0.00 H new ATOM 0 HB2 TYR A 57 81.344 34.424 -12.232 1.00 0.00 H new ATOM 0 HB3 TYR A 57 82.037 33.364 -13.443 1.00 0.00 H new ATOM 0 HD1 TYR A 57 78.833 34.221 -11.736 1.00 0.00 H new ATOM 0 HD2 TYR A 57 80.660 32.363 -15.108 1.00 0.00 H new ATOM 0 HE1 TYR A 57 76.636 34.013 -12.811 1.00 0.00 H new ATOM 0 HE2 TYR A 57 78.464 32.157 -16.186 1.00 0.00 H new ATOM 0 HH TYR A 57 76.290 32.528 -16.040 1.00 0.00 H new ATOM 890 N SER A 58 83.315 33.093 -10.143 1.00 0.00 N ATOM 891 CA SER A 58 84.690 33.182 -9.666 1.00 0.00 C ATOM 892 C SER A 58 85.582 33.856 -10.705 1.00 0.00 C ATOM 893 O SER A 58 86.556 33.269 -11.179 1.00 0.00 O ATOM 894 CB SER A 58 85.231 31.788 -9.340 1.00 0.00 C ATOM 895 OG SER A 58 86.279 31.858 -8.389 1.00 0.00 O ATOM 0 H SER A 58 82.641 33.618 -9.586 1.00 0.00 H new ATOM 0 HA SER A 58 84.696 33.787 -8.759 1.00 0.00 H new ATOM 0 HB2 SER A 58 84.426 31.163 -8.953 1.00 0.00 H new ATOM 0 HB3 SER A 58 85.594 31.313 -10.251 1.00 0.00 H new ATOM 0 HG SER A 58 86.607 30.955 -8.196 1.00 0.00 H new ATOM 901 N LEU A 59 85.243 35.092 -11.054 1.00 0.00 N ATOM 902 CA LEU A 59 86.012 35.848 -12.036 1.00 0.00 C ATOM 903 C LEU A 59 87.182 36.569 -11.374 1.00 0.00 C ATOM 904 O LEU A 59 87.423 36.414 -10.178 1.00 0.00 O ATOM 905 CB LEU A 59 85.112 36.859 -12.749 1.00 0.00 C ATOM 906 CG LEU A 59 83.780 36.320 -13.272 1.00 0.00 C ATOM 907 CD1 LEU A 59 82.856 37.464 -13.658 1.00 0.00 C ATOM 908 CD2 LEU A 59 84.009 35.393 -14.458 1.00 0.00 C ATOM 0 H LEU A 59 84.440 35.592 -10.671 1.00 0.00 H new ATOM 0 HA LEU A 59 86.410 35.146 -12.768 1.00 0.00 H new ATOM 0 HB2 LEU A 59 84.904 37.679 -12.061 1.00 0.00 H new ATOM 0 HB3 LEU A 59 85.666 37.280 -13.588 1.00 0.00 H new ATOM 0 HG LEU A 59 83.303 35.748 -12.476 1.00 0.00 H new ATOM 0 HD11 LEU A 59 81.913 37.061 -14.028 1.00 0.00 H new ATOM 0 HD12 LEU A 59 82.666 38.089 -12.785 1.00 0.00 H new ATOM 0 HD13 LEU A 59 83.325 38.063 -14.438 1.00 0.00 H new ATOM 0 HD21 LEU A 59 83.051 35.019 -14.818 1.00 0.00 H new ATOM 0 HD22 LEU A 59 84.507 35.941 -15.257 1.00 0.00 H new ATOM 0 HD23 LEU A 59 84.633 34.555 -14.149 1.00 0.00 H new ATOM 920 N MET A 60 87.904 37.360 -12.161 1.00 0.00 N ATOM 921 CA MET A 60 89.047 38.109 -11.650 1.00 0.00 C ATOM 922 C MET A 60 89.398 39.266 -12.579 1.00 0.00 C ATOM 923 O MET A 60 89.060 39.248 -13.762 1.00 0.00 O ATOM 924 CB MET A 60 90.256 37.186 -11.486 1.00 0.00 C ATOM 925 CG MET A 60 90.752 36.595 -12.796 1.00 0.00 C ATOM 926 SD MET A 60 92.028 35.345 -12.555 1.00 0.00 S ATOM 927 CE MET A 60 91.247 33.916 -13.301 1.00 0.00 C ATOM 0 H MET A 60 87.718 37.499 -13.154 1.00 0.00 H new ATOM 0 HA MET A 60 88.776 38.518 -10.676 1.00 0.00 H new ATOM 0 HB2 MET A 60 91.067 37.743 -11.018 1.00 0.00 H new ATOM 0 HB3 MET A 60 89.994 36.375 -10.807 1.00 0.00 H new ATOM 0 HG2 MET A 60 89.912 36.153 -13.332 1.00 0.00 H new ATOM 0 HG3 MET A 60 91.146 37.394 -13.425 1.00 0.00 H new ATOM 0 HE1 MET A 60 91.915 33.058 -13.230 1.00 0.00 H new ATOM 0 HE2 MET A 60 90.316 33.695 -12.778 1.00 0.00 H new ATOM 0 HE3 MET A 60 91.033 34.124 -14.349 1.00 0.00 H new ATOM 937 N GLU A 61 90.077 40.271 -12.035 1.00 0.00 N ATOM 938 CA GLU A 61 90.472 41.437 -12.816 1.00 0.00 C ATOM 939 C GLU A 61 89.264 42.065 -13.505 1.00 0.00 C ATOM 940 O GLU A 61 89.174 42.079 -14.733 1.00 0.00 O ATOM 941 CB GLU A 61 91.522 41.048 -13.858 1.00 0.00 C ATOM 942 CG GLU A 61 92.821 40.542 -13.254 1.00 0.00 C ATOM 943 CD GLU A 61 93.994 40.664 -14.207 1.00 0.00 C ATOM 944 OE1 GLU A 61 94.051 41.665 -14.952 1.00 0.00 O ATOM 945 OE2 GLU A 61 94.855 39.759 -14.209 1.00 0.00 O ATOM 0 H GLU A 61 90.365 40.301 -11.057 1.00 0.00 H new ATOM 0 HA GLU A 61 90.902 42.171 -12.134 1.00 0.00 H new ATOM 0 HB2 GLU A 61 91.108 40.277 -14.508 1.00 0.00 H new ATOM 0 HB3 GLU A 61 91.736 41.913 -14.486 1.00 0.00 H new ATOM 0 HG2 GLU A 61 93.037 41.102 -12.344 1.00 0.00 H new ATOM 0 HG3 GLU A 61 92.700 39.498 -12.964 1.00 0.00 H new ATOM 952 N ILE A 62 88.337 42.583 -12.706 1.00 0.00 N ATOM 953 CA ILE A 62 87.135 43.213 -13.238 1.00 0.00 C ATOM 954 C ILE A 62 86.901 44.577 -12.600 1.00 0.00 C ATOM 955 O ILE A 62 87.272 44.808 -11.449 1.00 0.00 O ATOM 956 CB ILE A 62 85.891 42.333 -13.013 1.00 0.00 C ATOM 957 CG1 ILE A 62 84.692 42.902 -13.773 1.00 0.00 C ATOM 958 CG2 ILE A 62 85.581 42.225 -11.527 1.00 0.00 C ATOM 959 CD1 ILE A 62 83.469 42.012 -13.727 1.00 0.00 C ATOM 0 H ILE A 62 88.395 42.579 -11.688 1.00 0.00 H new ATOM 0 HA ILE A 62 87.292 43.338 -14.309 1.00 0.00 H new ATOM 0 HB ILE A 62 86.097 41.333 -13.395 1.00 0.00 H new ATOM 0 HG12 ILE A 62 84.438 43.877 -13.357 1.00 0.00 H new ATOM 0 HG13 ILE A 62 84.975 43.063 -14.813 1.00 0.00 H new ATOM 0 HG21 ILE A 62 84.699 41.600 -11.384 1.00 0.00 H new ATOM 0 HG22 ILE A 62 86.430 41.779 -11.010 1.00 0.00 H new ATOM 0 HG23 ILE A 62 85.391 43.219 -11.122 1.00 0.00 H new ATOM 0 HD11 ILE A 62 82.658 42.479 -14.287 1.00 0.00 H new ATOM 0 HD12 ILE A 62 83.706 41.045 -14.170 1.00 0.00 H new ATOM 0 HD13 ILE A 62 83.161 41.871 -12.691 1.00 0.00 H new ATOM 971 N ASP A 63 86.281 45.478 -13.355 1.00 0.00 N ATOM 972 CA ASP A 63 85.994 46.821 -12.862 1.00 0.00 C ATOM 973 C ASP A 63 84.737 46.825 -11.997 1.00 0.00 C ATOM 974 O ASP A 63 83.717 46.239 -12.362 1.00 0.00 O ATOM 975 CB ASP A 63 85.826 47.791 -14.032 1.00 0.00 C ATOM 976 CG ASP A 63 87.153 48.194 -14.645 1.00 0.00 C ATOM 977 OD1 ASP A 63 88.025 47.314 -14.802 1.00 0.00 O ATOM 978 OD2 ASP A 63 87.318 49.389 -14.968 1.00 0.00 O ATOM 0 H ASP A 63 85.968 45.303 -14.310 1.00 0.00 H new ATOM 0 HA ASP A 63 86.836 47.145 -12.250 1.00 0.00 H new ATOM 0 HB2 ASP A 63 85.201 47.329 -14.796 1.00 0.00 H new ATOM 0 HB3 ASP A 63 85.302 48.683 -13.688 1.00 0.00 H new ATOM 983 N THR A 64 84.817 47.488 -10.848 1.00 0.00 N ATOM 984 CA THR A 64 83.688 47.566 -9.930 1.00 0.00 C ATOM 985 C THR A 64 83.146 48.988 -9.845 1.00 0.00 C ATOM 986 O THR A 64 81.944 49.195 -9.681 1.00 0.00 O ATOM 987 CB THR A 64 84.079 47.092 -8.517 1.00 0.00 C ATOM 988 OG1 THR A 64 85.500 47.163 -8.352 1.00 0.00 O ATOM 989 CG2 THR A 64 83.605 45.667 -8.273 1.00 0.00 C ATOM 0 H THR A 64 85.653 47.979 -10.531 1.00 0.00 H new ATOM 0 HA THR A 64 82.914 46.908 -10.324 1.00 0.00 H new ATOM 0 HB THR A 64 83.596 47.747 -7.792 1.00 0.00 H new ATOM 0 HG1 THR A 64 85.740 46.862 -7.451 1.00 0.00 H new ATOM 0 HG21 THR A 64 83.893 45.355 -7.269 1.00 0.00 H new ATOM 0 HG22 THR A 64 82.520 45.623 -8.370 1.00 0.00 H new ATOM 0 HG23 THR A 64 84.062 45.001 -9.005 1.00 0.00 H new ATOM 997 N SER A 65 84.040 49.965 -9.958 1.00 0.00 N ATOM 998 CA SER A 65 83.651 51.369 -9.891 1.00 0.00 C ATOM 999 C SER A 65 82.667 51.713 -11.005 1.00 0.00 C ATOM 1000 O SER A 65 81.816 52.589 -10.848 1.00 0.00 O ATOM 1001 CB SER A 65 84.885 52.267 -9.990 1.00 0.00 C ATOM 1002 OG SER A 65 84.697 53.473 -9.270 1.00 0.00 O ATOM 0 H SER A 65 85.039 49.810 -10.096 1.00 0.00 H new ATOM 0 HA SER A 65 83.162 51.540 -8.932 1.00 0.00 H new ATOM 0 HB2 SER A 65 85.755 51.739 -9.600 1.00 0.00 H new ATOM 0 HB3 SER A 65 85.091 52.493 -11.036 1.00 0.00 H new ATOM 0 HG SER A 65 85.500 54.029 -9.347 1.00 0.00 H new ATOM 1008 N PHE A 66 82.789 51.018 -12.131 1.00 0.00 N ATOM 1009 CA PHE A 66 81.912 51.250 -13.272 1.00 0.00 C ATOM 1010 C PHE A 66 80.478 50.843 -12.947 1.00 0.00 C ATOM 1011 O PHE A 66 79.525 51.387 -13.505 1.00 0.00 O ATOM 1012 CB PHE A 66 82.411 50.472 -14.492 1.00 0.00 C ATOM 1013 CG PHE A 66 82.474 51.298 -15.745 1.00 0.00 C ATOM 1014 CD1 PHE A 66 83.593 52.064 -16.029 1.00 0.00 C ATOM 1015 CD2 PHE A 66 81.415 51.308 -16.638 1.00 0.00 C ATOM 1016 CE1 PHE A 66 83.653 52.826 -17.181 1.00 0.00 C ATOM 1017 CE2 PHE A 66 81.469 52.067 -17.792 1.00 0.00 C ATOM 1018 CZ PHE A 66 82.590 52.826 -18.064 1.00 0.00 C ATOM 0 H PHE A 66 83.487 50.289 -12.278 1.00 0.00 H new ATOM 0 HA PHE A 66 81.926 52.316 -13.499 1.00 0.00 H new ATOM 0 HB2 PHE A 66 83.403 50.074 -14.278 1.00 0.00 H new ATOM 0 HB3 PHE A 66 81.755 49.618 -14.662 1.00 0.00 H new ATOM 0 HD1 PHE A 66 84.427 52.066 -15.343 1.00 0.00 H new ATOM 0 HD2 PHE A 66 80.536 50.715 -16.430 1.00 0.00 H new ATOM 0 HE1 PHE A 66 84.530 53.421 -17.391 1.00 0.00 H new ATOM 0 HE2 PHE A 66 80.636 52.066 -18.480 1.00 0.00 H new ATOM 0 HZ PHE A 66 82.636 53.419 -18.966 1.00 0.00 H new ATOM 1028 N PHE A 67 80.332 49.882 -12.041 1.00 0.00 N ATOM 1029 CA PHE A 67 79.015 49.401 -11.641 1.00 0.00 C ATOM 1030 C PHE A 67 78.678 49.850 -10.223 1.00 0.00 C ATOM 1031 O PHE A 67 77.964 49.161 -9.496 1.00 0.00 O ATOM 1032 CB PHE A 67 78.958 47.874 -11.732 1.00 0.00 C ATOM 1033 CG PHE A 67 79.513 47.328 -13.016 1.00 0.00 C ATOM 1034 CD1 PHE A 67 78.748 47.329 -14.172 1.00 0.00 C ATOM 1035 CD2 PHE A 67 80.798 46.814 -13.068 1.00 0.00 C ATOM 1036 CE1 PHE A 67 79.256 46.828 -15.356 1.00 0.00 C ATOM 1037 CE2 PHE A 67 81.311 46.312 -14.249 1.00 0.00 C ATOM 1038 CZ PHE A 67 80.539 46.318 -15.394 1.00 0.00 C ATOM 0 H PHE A 67 81.110 49.421 -11.570 1.00 0.00 H new ATOM 0 HA PHE A 67 78.278 49.827 -12.322 1.00 0.00 H new ATOM 0 HB2 PHE A 67 79.512 47.447 -10.896 1.00 0.00 H new ATOM 0 HB3 PHE A 67 77.923 47.550 -11.627 1.00 0.00 H new ATOM 0 HD1 PHE A 67 77.744 47.726 -14.147 1.00 0.00 H new ATOM 0 HD2 PHE A 67 81.406 46.805 -12.175 1.00 0.00 H new ATOM 0 HE1 PHE A 67 78.650 46.835 -16.250 1.00 0.00 H new ATOM 0 HE2 PHE A 67 82.315 45.915 -14.276 1.00 0.00 H new ATOM 0 HZ PHE A 67 80.938 45.925 -16.317 1.00 0.00 H new ATOM 1048 N GLN A 68 79.199 51.011 -9.837 1.00 0.00 N ATOM 1049 CA GLN A 68 78.954 51.552 -8.506 1.00 0.00 C ATOM 1050 C GLN A 68 77.514 52.035 -8.370 1.00 0.00 C ATOM 1051 O GLN A 68 76.693 51.394 -7.716 1.00 0.00 O ATOM 1052 CB GLN A 68 79.920 52.703 -8.215 1.00 0.00 C ATOM 1053 CG GLN A 68 81.098 52.302 -7.342 1.00 0.00 C ATOM 1054 CD GLN A 68 80.860 52.588 -5.872 1.00 0.00 C ATOM 1055 OE1 GLN A 68 80.294 53.621 -5.513 1.00 0.00 O ATOM 1056 NE2 GLN A 68 81.292 51.673 -5.013 1.00 0.00 N ATOM 0 H GLN A 68 79.793 51.594 -10.427 1.00 0.00 H new ATOM 0 HA GLN A 68 79.120 50.755 -7.781 1.00 0.00 H new ATOM 0 HB2 GLN A 68 80.296 53.098 -9.159 1.00 0.00 H new ATOM 0 HB3 GLN A 68 79.374 53.510 -7.726 1.00 0.00 H new ATOM 0 HG2 GLN A 68 81.297 51.238 -7.474 1.00 0.00 H new ATOM 0 HG3 GLN A 68 81.989 52.836 -7.673 1.00 0.00 H new ATOM 0 HE21 GLN A 68 81.756 50.831 -5.355 1.00 0.00 H new ATOM 0 HE22 GLN A 68 81.160 51.811 -4.011 1.00 0.00 H new ATOM 1065 N ASN A 69 77.215 53.171 -8.993 1.00 0.00 N ATOM 1066 CA ASN A 69 75.873 53.740 -8.941 1.00 0.00 C ATOM 1067 C ASN A 69 75.316 53.950 -10.346 1.00 0.00 C ATOM 1068 O ASN A 69 74.560 54.889 -10.590 1.00 0.00 O ATOM 1069 CB ASN A 69 75.890 55.070 -8.183 1.00 0.00 C ATOM 1070 CG ASN A 69 74.495 55.570 -7.862 1.00 0.00 C ATOM 1071 OD1 ASN A 69 74.075 56.622 -8.345 1.00 0.00 O ATOM 1072 ND2 ASN A 69 73.770 54.816 -7.044 1.00 0.00 N ATOM 0 H ASN A 69 77.883 53.715 -9.539 1.00 0.00 H new ATOM 0 HA ASN A 69 75.227 53.037 -8.415 1.00 0.00 H new ATOM 0 HB2 ASN A 69 76.452 54.950 -7.257 1.00 0.00 H new ATOM 0 HB3 ASN A 69 76.413 55.818 -8.779 1.00 0.00 H new ATOM 0 HD21 ASN A 69 72.824 55.101 -6.792 1.00 0.00 H new ATOM 0 HD22 ASN A 69 74.159 53.952 -6.668 1.00 0.00 H new ATOM 1079 N MET A 70 75.695 53.067 -11.264 1.00 0.00 N ATOM 1080 CA MET A 70 75.232 53.154 -12.644 1.00 0.00 C ATOM 1081 C MET A 70 73.776 52.713 -12.758 1.00 0.00 C ATOM 1082 O MET A 70 73.385 51.683 -12.207 1.00 0.00 O ATOM 1083 CB MET A 70 76.110 52.294 -13.555 1.00 0.00 C ATOM 1084 CG MET A 70 75.686 52.325 -15.014 1.00 0.00 C ATOM 1085 SD MET A 70 77.070 52.612 -16.134 1.00 0.00 S ATOM 1086 CE MET A 70 77.560 50.929 -16.504 1.00 0.00 C ATOM 0 H MET A 70 76.321 52.284 -11.077 1.00 0.00 H new ATOM 0 HA MET A 70 75.304 54.195 -12.960 1.00 0.00 H new ATOM 0 HB2 MET A 70 77.142 52.635 -13.478 1.00 0.00 H new ATOM 0 HB3 MET A 70 76.087 51.264 -13.200 1.00 0.00 H new ATOM 0 HG2 MET A 70 75.207 51.380 -15.269 1.00 0.00 H new ATOM 0 HG3 MET A 70 74.941 53.108 -15.155 1.00 0.00 H new ATOM 0 HE1 MET A 70 78.509 50.936 -17.040 1.00 0.00 H new ATOM 0 HE2 MET A 70 77.672 50.370 -15.575 1.00 0.00 H new ATOM 0 HE3 MET A 70 76.797 50.456 -17.123 1.00 0.00 H new ATOM 1096 N ASP A 71 72.979 53.498 -13.474 1.00 0.00 N ATOM 1097 CA ASP A 71 71.566 53.187 -13.660 1.00 0.00 C ATOM 1098 C ASP A 71 71.394 51.907 -14.470 1.00 0.00 C ATOM 1099 O ASP A 71 72.099 51.682 -15.453 1.00 0.00 O ATOM 1100 CB ASP A 71 70.855 54.347 -14.358 1.00 0.00 C ATOM 1101 CG ASP A 71 71.649 54.894 -15.527 1.00 0.00 C ATOM 1102 OD1 ASP A 71 72.641 55.614 -15.287 1.00 0.00 O ATOM 1103 OD2 ASP A 71 71.279 54.602 -16.684 1.00 0.00 O ATOM 0 H ASP A 71 73.287 54.354 -13.935 1.00 0.00 H new ATOM 0 HA ASP A 71 71.119 53.036 -12.677 1.00 0.00 H new ATOM 0 HB2 ASP A 71 69.879 54.012 -14.710 1.00 0.00 H new ATOM 0 HB3 ASP A 71 70.677 55.146 -13.638 1.00 0.00 H new ATOM 1108 N GLY A 72 70.450 51.069 -14.050 1.00 0.00 N ATOM 1109 CA GLY A 72 70.203 49.820 -14.747 1.00 0.00 C ATOM 1110 C GLY A 72 69.974 50.021 -16.232 1.00 0.00 C ATOM 1111 O GLY A 72 70.360 49.182 -17.047 1.00 0.00 O ATOM 0 H GLY A 72 69.852 51.233 -13.240 1.00 0.00 H new ATOM 0 HA2 GLY A 72 71.051 49.152 -14.600 1.00 0.00 H new ATOM 0 HA3 GLY A 72 69.332 49.330 -14.311 1.00 0.00 H new ATOM 1115 N LYS A 73 69.344 51.136 -16.587 1.00 0.00 N ATOM 1116 CA LYS A 73 69.064 51.446 -17.984 1.00 0.00 C ATOM 1117 C LYS A 73 70.353 51.511 -18.796 1.00 0.00 C ATOM 1118 O LYS A 73 70.354 51.244 -19.997 1.00 0.00 O ATOM 1119 CB LYS A 73 68.312 52.774 -18.092 1.00 0.00 C ATOM 1120 CG LYS A 73 66.811 52.612 -18.257 1.00 0.00 C ATOM 1121 CD LYS A 73 66.417 52.522 -19.722 1.00 0.00 C ATOM 1122 CE LYS A 73 65.036 53.109 -19.965 1.00 0.00 C ATOM 1123 NZ LYS A 73 65.035 54.074 -21.100 1.00 0.00 N ATOM 0 H LYS A 73 69.017 51.841 -15.926 1.00 0.00 H new ATOM 0 HA LYS A 73 68.441 50.649 -18.389 1.00 0.00 H new ATOM 0 HB2 LYS A 73 68.509 53.367 -17.199 1.00 0.00 H new ATOM 0 HB3 LYS A 73 68.704 53.336 -18.940 1.00 0.00 H new ATOM 0 HG2 LYS A 73 66.482 51.714 -17.735 1.00 0.00 H new ATOM 0 HG3 LYS A 73 66.300 53.456 -17.793 1.00 0.00 H new ATOM 0 HD2 LYS A 73 67.151 53.051 -20.330 1.00 0.00 H new ATOM 0 HD3 LYS A 73 66.432 51.480 -20.040 1.00 0.00 H new ATOM 0 HE2 LYS A 73 64.331 52.304 -20.172 1.00 0.00 H new ATOM 0 HE3 LYS A 73 64.691 53.611 -19.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 64.075 54.452 -21.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 65.689 54.855 -20.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 65.340 53.589 -21.968 1.00 0.00 H new ATOM 1137 N GLU A 74 71.448 51.867 -18.132 1.00 0.00 N ATOM 1138 CA GLU A 74 72.744 51.967 -18.794 1.00 0.00 C ATOM 1139 C GLU A 74 73.311 50.581 -19.089 1.00 0.00 C ATOM 1140 O GLU A 74 73.944 50.365 -20.124 1.00 0.00 O ATOM 1141 CB GLU A 74 73.725 52.758 -17.927 1.00 0.00 C ATOM 1142 CG GLU A 74 74.191 54.056 -18.564 1.00 0.00 C ATOM 1143 CD GLU A 74 75.330 53.849 -19.543 1.00 0.00 C ATOM 1144 OE1 GLU A 74 75.187 53.004 -20.451 1.00 0.00 O ATOM 1145 OE2 GLU A 74 76.365 54.534 -19.401 1.00 0.00 O ATOM 0 H GLU A 74 71.464 52.091 -17.137 1.00 0.00 H new ATOM 0 HA GLU A 74 72.602 52.492 -19.739 1.00 0.00 H new ATOM 0 HB2 GLU A 74 73.253 52.982 -16.971 1.00 0.00 H new ATOM 0 HB3 GLU A 74 74.594 52.135 -17.715 1.00 0.00 H new ATOM 0 HG2 GLU A 74 73.353 54.524 -19.081 1.00 0.00 H new ATOM 0 HG3 GLU A 74 74.509 54.746 -17.783 1.00 0.00 H new ATOM 1152 N LEU A 75 73.082 49.647 -18.174 1.00 0.00 N ATOM 1153 CA LEU A 75 73.570 48.282 -18.334 1.00 0.00 C ATOM 1154 C LEU A 75 73.093 47.684 -19.654 1.00 0.00 C ATOM 1155 O LEU A 75 73.737 46.796 -20.214 1.00 0.00 O ATOM 1156 CB LEU A 75 73.101 47.411 -17.168 1.00 0.00 C ATOM 1157 CG LEU A 75 74.173 47.017 -16.151 1.00 0.00 C ATOM 1158 CD1 LEU A 75 74.873 48.253 -15.607 1.00 0.00 C ATOM 1159 CD2 LEU A 75 73.561 46.207 -15.017 1.00 0.00 C ATOM 0 H LEU A 75 72.561 49.810 -17.312 1.00 0.00 H new ATOM 0 HA LEU A 75 74.660 48.311 -18.342 1.00 0.00 H new ATOM 0 HB2 LEU A 75 72.307 47.940 -16.642 1.00 0.00 H new ATOM 0 HB3 LEU A 75 72.662 46.500 -17.575 1.00 0.00 H new ATOM 0 HG LEU A 75 74.914 46.397 -16.655 1.00 0.00 H new ATOM 0 HD11 LEU A 75 75.632 47.953 -14.885 1.00 0.00 H new ATOM 0 HD12 LEU A 75 75.346 48.794 -16.427 1.00 0.00 H new ATOM 0 HD13 LEU A 75 74.143 48.899 -15.119 1.00 0.00 H new ATOM 0 HD21 LEU A 75 74.339 45.935 -14.303 1.00 0.00 H new ATOM 0 HD22 LEU A 75 72.799 46.803 -14.515 1.00 0.00 H new ATOM 0 HD23 LEU A 75 73.107 45.302 -15.420 1.00 0.00 H new ATOM 1171 N CYS A 76 71.962 48.179 -20.146 1.00 0.00 N ATOM 1172 CA CYS A 76 71.399 47.695 -21.402 1.00 0.00 C ATOM 1173 C CYS A 76 72.048 48.392 -22.593 1.00 0.00 C ATOM 1174 O CYS A 76 72.455 47.745 -23.559 1.00 0.00 O ATOM 1175 CB CYS A 76 69.886 47.918 -21.426 1.00 0.00 C ATOM 1176 SG CYS A 76 69.028 47.322 -19.950 1.00 0.00 S ATOM 0 H CYS A 76 71.418 48.914 -19.695 1.00 0.00 H new ATOM 0 HA CYS A 76 71.602 46.627 -21.475 1.00 0.00 H new ATOM 0 HB2 CYS A 76 69.688 48.984 -21.542 1.00 0.00 H new ATOM 0 HB3 CYS A 76 69.470 47.419 -22.301 1.00 0.00 H new ATOM 0 HG CYS A 76 69.439 47.986 -18.911 1.00 0.00 H new ATOM 1182 N LYS A 77 72.139 49.715 -22.520 1.00 0.00 N ATOM 1183 CA LYS A 77 72.738 50.502 -23.591 1.00 0.00 C ATOM 1184 C LYS A 77 74.170 50.053 -23.862 1.00 0.00 C ATOM 1185 O LYS A 77 74.671 50.184 -24.978 1.00 0.00 O ATOM 1186 CB LYS A 77 72.717 51.990 -23.233 1.00 0.00 C ATOM 1187 CG LYS A 77 71.318 52.559 -23.080 1.00 0.00 C ATOM 1188 CD LYS A 77 71.336 53.899 -22.363 1.00 0.00 C ATOM 1189 CE LYS A 77 70.536 54.948 -23.120 1.00 0.00 C ATOM 1190 NZ LYS A 77 70.720 56.308 -22.544 1.00 0.00 N ATOM 0 H LYS A 77 71.805 50.266 -21.729 1.00 0.00 H new ATOM 0 HA LYS A 77 72.150 50.344 -24.495 1.00 0.00 H new ATOM 0 HB2 LYS A 77 73.264 52.139 -22.302 1.00 0.00 H new ATOM 0 HB3 LYS A 77 73.245 52.549 -24.006 1.00 0.00 H new ATOM 0 HG2 LYS A 77 70.863 52.678 -24.063 1.00 0.00 H new ATOM 0 HG3 LYS A 77 70.697 51.856 -22.524 1.00 0.00 H new ATOM 0 HD2 LYS A 77 70.926 53.781 -21.360 1.00 0.00 H new ATOM 0 HD3 LYS A 77 72.366 54.238 -22.249 1.00 0.00 H new ATOM 0 HE2 LYS A 77 70.841 54.952 -24.166 1.00 0.00 H new ATOM 0 HE3 LYS A 77 69.479 54.684 -23.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 70.159 56.994 -23.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 70.405 56.311 -21.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 71.725 56.571 -22.588 1.00 0.00 H new ATOM 1204 N MET A 78 74.823 49.522 -22.833 1.00 0.00 N ATOM 1205 CA MET A 78 76.197 49.051 -22.961 1.00 0.00 C ATOM 1206 C MET A 78 76.277 47.859 -23.910 1.00 0.00 C ATOM 1207 O MET A 78 75.541 46.885 -23.761 1.00 0.00 O ATOM 1208 CB MET A 78 76.757 48.665 -21.591 1.00 0.00 C ATOM 1209 CG MET A 78 76.835 49.830 -20.617 1.00 0.00 C ATOM 1210 SD MET A 78 78.529 50.368 -20.313 1.00 0.00 S ATOM 1211 CE MET A 78 79.257 48.858 -19.683 1.00 0.00 C ATOM 0 H MET A 78 74.423 49.407 -21.902 1.00 0.00 H new ATOM 0 HA MET A 78 76.795 49.863 -23.374 1.00 0.00 H new ATOM 0 HB2 MET A 78 76.133 47.882 -21.160 1.00 0.00 H new ATOM 0 HB3 MET A 78 77.754 48.243 -21.721 1.00 0.00 H new ATOM 0 HG2 MET A 78 76.257 50.667 -21.010 1.00 0.00 H new ATOM 0 HG3 MET A 78 76.375 49.540 -19.672 1.00 0.00 H new ATOM 0 HE1 MET A 78 80.008 49.102 -18.932 1.00 0.00 H new ATOM 0 HE2 MET A 78 78.480 48.240 -19.232 1.00 0.00 H new ATOM 0 HE3 MET A 78 79.726 48.311 -20.501 1.00 0.00 H new ATOM 1221 N ASN A 79 77.176 47.944 -24.886 1.00 0.00 N ATOM 1222 CA ASN A 79 77.350 46.872 -25.859 1.00 0.00 C ATOM 1223 C ASN A 79 78.598 46.052 -25.547 1.00 0.00 C ATOM 1224 O ASN A 79 79.247 46.253 -24.520 1.00 0.00 O ATOM 1225 CB ASN A 79 77.447 47.450 -27.273 1.00 0.00 C ATOM 1226 CG ASN A 79 76.263 48.332 -27.618 1.00 0.00 C ATOM 1227 OD1 ASN A 79 76.428 49.492 -27.997 1.00 0.00 O ATOM 1228 ND2 ASN A 79 75.060 47.785 -27.489 1.00 0.00 N ATOM 0 H ASN A 79 77.794 48.743 -25.024 1.00 0.00 H new ATOM 0 HA ASN A 79 76.481 46.216 -25.800 1.00 0.00 H new ATOM 0 HB2 ASN A 79 78.366 48.028 -27.364 1.00 0.00 H new ATOM 0 HB3 ASN A 79 77.511 46.634 -27.993 1.00 0.00 H new ATOM 0 HD21 ASN A 79 74.226 48.330 -27.707 1.00 0.00 H new ATOM 0 HD22 ASN A 79 74.970 46.820 -27.172 1.00 0.00 H new ATOM 1235 N LYS A 80 78.930 45.127 -26.441 1.00 0.00 N ATOM 1236 CA LYS A 80 80.101 44.276 -26.263 1.00 0.00 C ATOM 1237 C LYS A 80 81.378 45.110 -26.223 1.00 0.00 C ATOM 1238 O LYS A 80 82.330 44.769 -25.522 1.00 0.00 O ATOM 1239 CB LYS A 80 80.186 43.248 -27.394 1.00 0.00 C ATOM 1240 CG LYS A 80 81.138 42.101 -27.102 1.00 0.00 C ATOM 1241 CD LYS A 80 80.398 40.780 -26.973 1.00 0.00 C ATOM 1242 CE LYS A 80 81.308 39.599 -27.274 1.00 0.00 C ATOM 1243 NZ LYS A 80 80.558 38.461 -27.874 1.00 0.00 N ATOM 0 H LYS A 80 78.405 44.947 -27.297 1.00 0.00 H new ATOM 0 HA LYS A 80 79.999 43.753 -25.312 1.00 0.00 H new ATOM 0 HB2 LYS A 80 79.191 42.845 -27.583 1.00 0.00 H new ATOM 0 HB3 LYS A 80 80.505 43.750 -28.307 1.00 0.00 H new ATOM 0 HG2 LYS A 80 81.877 42.028 -27.900 1.00 0.00 H new ATOM 0 HG3 LYS A 80 81.683 42.305 -26.180 1.00 0.00 H new ATOM 0 HD2 LYS A 80 79.997 40.684 -25.964 1.00 0.00 H new ATOM 0 HD3 LYS A 80 79.549 40.769 -27.656 1.00 0.00 H new ATOM 0 HE2 LYS A 80 82.098 39.914 -27.956 1.00 0.00 H new ATOM 0 HE3 LYS A 80 81.793 39.270 -26.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 81.166 37.966 -28.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 80.271 37.801 -27.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 79.712 38.821 -28.361 1.00 0.00 H new ATOM 1257 N GLU A 81 81.390 46.203 -26.979 1.00 0.00 N ATOM 1258 CA GLU A 81 82.550 47.085 -27.028 1.00 0.00 C ATOM 1259 C GLU A 81 82.684 47.880 -25.732 1.00 0.00 C ATOM 1260 O GLU A 81 83.786 48.059 -25.213 1.00 0.00 O ATOM 1261 CB GLU A 81 82.442 48.042 -28.217 1.00 0.00 C ATOM 1262 CG GLU A 81 82.149 47.344 -29.535 1.00 0.00 C ATOM 1263 CD GLU A 81 82.814 48.024 -30.715 1.00 0.00 C ATOM 1264 OE1 GLU A 81 82.715 49.265 -30.817 1.00 0.00 O ATOM 1265 OE2 GLU A 81 83.432 47.317 -31.538 1.00 0.00 O ATOM 0 H GLU A 81 80.610 46.499 -27.566 1.00 0.00 H new ATOM 0 HA GLU A 81 83.439 46.466 -27.149 1.00 0.00 H new ATOM 0 HB2 GLU A 81 81.655 48.769 -28.017 1.00 0.00 H new ATOM 0 HB3 GLU A 81 83.374 48.599 -28.310 1.00 0.00 H new ATOM 0 HG2 GLU A 81 82.489 46.310 -29.478 1.00 0.00 H new ATOM 0 HG3 GLU A 81 81.071 47.317 -29.696 1.00 0.00 H new ATOM 1272 N ASP A 82 81.556 48.354 -25.216 1.00 0.00 N ATOM 1273 CA ASP A 82 81.546 49.130 -23.981 1.00 0.00 C ATOM 1274 C ASP A 82 82.019 48.283 -22.804 1.00 0.00 C ATOM 1275 O ASP A 82 82.913 48.683 -22.058 1.00 0.00 O ATOM 1276 CB ASP A 82 80.142 49.670 -23.705 1.00 0.00 C ATOM 1277 CG ASP A 82 79.746 50.773 -24.667 1.00 0.00 C ATOM 1278 OD1 ASP A 82 80.568 51.687 -24.892 1.00 0.00 O ATOM 1279 OD2 ASP A 82 78.615 50.724 -25.194 1.00 0.00 O ATOM 0 H ASP A 82 80.636 48.215 -25.634 1.00 0.00 H new ATOM 0 HA ASP A 82 82.232 49.968 -24.101 1.00 0.00 H new ATOM 0 HB2 ASP A 82 79.422 48.855 -23.776 1.00 0.00 H new ATOM 0 HB3 ASP A 82 80.096 50.049 -22.684 1.00 0.00 H new ATOM 1284 N PHE A 83 81.414 47.111 -22.644 1.00 0.00 N ATOM 1285 CA PHE A 83 81.772 46.208 -21.556 1.00 0.00 C ATOM 1286 C PHE A 83 83.238 45.796 -21.652 1.00 0.00 C ATOM 1287 O PHE A 83 83.895 45.557 -20.638 1.00 0.00 O ATOM 1288 CB PHE A 83 80.878 44.966 -21.580 1.00 0.00 C ATOM 1289 CG PHE A 83 79.623 45.115 -20.769 1.00 0.00 C ATOM 1290 CD1 PHE A 83 79.674 45.125 -19.385 1.00 0.00 C ATOM 1291 CD2 PHE A 83 78.392 45.245 -21.392 1.00 0.00 C ATOM 1292 CE1 PHE A 83 78.520 45.262 -18.636 1.00 0.00 C ATOM 1293 CE2 PHE A 83 77.235 45.382 -20.648 1.00 0.00 C ATOM 1294 CZ PHE A 83 77.299 45.390 -19.268 1.00 0.00 C ATOM 0 H PHE A 83 80.674 46.764 -23.254 1.00 0.00 H new ATOM 0 HA PHE A 83 81.622 46.736 -20.614 1.00 0.00 H new ATOM 0 HB2 PHE A 83 80.609 44.741 -22.612 1.00 0.00 H new ATOM 0 HB3 PHE A 83 81.444 44.113 -21.205 1.00 0.00 H new ATOM 0 HD1 PHE A 83 80.626 45.025 -18.885 1.00 0.00 H new ATOM 0 HD2 PHE A 83 78.336 45.239 -22.471 1.00 0.00 H new ATOM 0 HE1 PHE A 83 78.574 45.269 -17.557 1.00 0.00 H new ATOM 0 HE2 PHE A 83 76.282 45.483 -21.145 1.00 0.00 H new ATOM 0 HZ PHE A 83 76.396 45.496 -18.685 1.00 0.00 H new ATOM 1304 N LEU A 84 83.744 45.714 -22.877 1.00 0.00 N ATOM 1305 CA LEU A 84 85.132 45.330 -23.107 1.00 0.00 C ATOM 1306 C LEU A 84 86.087 46.311 -22.436 1.00 0.00 C ATOM 1307 O LEU A 84 87.213 45.957 -22.086 1.00 0.00 O ATOM 1308 CB LEU A 84 85.422 45.265 -24.608 1.00 0.00 C ATOM 1309 CG LEU A 84 85.200 43.908 -25.276 1.00 0.00 C ATOM 1310 CD1 LEU A 84 84.990 44.078 -26.773 1.00 0.00 C ATOM 1311 CD2 LEU A 84 86.374 42.980 -25.003 1.00 0.00 C ATOM 0 H LEU A 84 83.214 45.908 -23.727 1.00 0.00 H new ATOM 0 HA LEU A 84 85.287 44.344 -22.670 1.00 0.00 H new ATOM 0 HB2 LEU A 84 84.796 46.002 -25.111 1.00 0.00 H new ATOM 0 HB3 LEU A 84 86.458 45.563 -24.771 1.00 0.00 H new ATOM 0 HG LEU A 84 84.302 43.459 -24.852 1.00 0.00 H new ATOM 0 HD11 LEU A 84 84.834 43.102 -27.232 1.00 0.00 H new ATOM 0 HD12 LEU A 84 84.116 44.706 -26.949 1.00 0.00 H new ATOM 0 HD13 LEU A 84 85.869 44.549 -27.213 1.00 0.00 H new ATOM 0 HD21 LEU A 84 86.198 42.019 -25.486 1.00 0.00 H new ATOM 0 HD22 LEU A 84 87.288 43.423 -25.399 1.00 0.00 H new ATOM 0 HD23 LEU A 84 86.478 42.832 -23.928 1.00 0.00 H new ATOM 1323 N ARG A 85 85.629 47.546 -22.256 1.00 0.00 N ATOM 1324 CA ARG A 85 86.442 48.578 -21.625 1.00 0.00 C ATOM 1325 C ARG A 85 86.477 48.394 -20.111 1.00 0.00 C ATOM 1326 O ARG A 85 87.461 48.738 -19.456 1.00 0.00 O ATOM 1327 CB ARG A 85 85.898 49.967 -21.968 1.00 0.00 C ATOM 1328 CG ARG A 85 85.638 50.170 -23.452 1.00 0.00 C ATOM 1329 CD ARG A 85 85.475 51.643 -23.792 1.00 0.00 C ATOM 1330 NE ARG A 85 84.347 51.876 -24.690 1.00 0.00 N ATOM 1331 CZ ARG A 85 84.351 51.545 -25.976 1.00 0.00 C ATOM 1332 NH1 ARG A 85 85.418 50.970 -26.513 1.00 0.00 N ATOM 1333 NH2 ARG A 85 83.285 51.789 -26.728 1.00 0.00 N ATOM 0 H ARG A 85 84.699 47.856 -22.538 1.00 0.00 H new ATOM 0 HA ARG A 85 87.459 48.488 -22.008 1.00 0.00 H new ATOM 0 HB2 ARG A 85 84.970 50.130 -21.420 1.00 0.00 H new ATOM 0 HB3 ARG A 85 86.607 50.720 -21.626 1.00 0.00 H new ATOM 0 HG2 ARG A 85 86.464 49.752 -24.028 1.00 0.00 H new ATOM 0 HG3 ARG A 85 84.739 49.627 -23.743 1.00 0.00 H new ATOM 0 HD2 ARG A 85 85.331 52.213 -22.874 1.00 0.00 H new ATOM 0 HD3 ARG A 85 86.390 52.011 -24.256 1.00 0.00 H new ATOM 0 HE ARG A 85 83.510 52.317 -24.308 1.00 0.00 H new ATOM 0 HH11 ARG A 85 86.239 50.781 -25.938 1.00 0.00 H new ATOM 0 HH12 ARG A 85 85.418 50.717 -27.501 1.00 0.00 H new ATOM 0 HH21 ARG A 85 82.462 52.231 -26.318 1.00 0.00 H new ATOM 0 HH22 ARG A 85 83.289 51.535 -27.716 1.00 0.00 H new ATOM 1347 N ALA A 86 85.397 47.849 -19.562 1.00 0.00 N ATOM 1348 CA ALA A 86 85.304 47.617 -18.126 1.00 0.00 C ATOM 1349 C ALA A 86 85.965 46.298 -17.739 1.00 0.00 C ATOM 1350 O ALA A 86 86.444 46.136 -16.616 1.00 0.00 O ATOM 1351 CB ALA A 86 83.849 47.631 -17.681 1.00 0.00 C ATOM 0 H ALA A 86 84.574 47.560 -20.090 1.00 0.00 H new ATOM 0 HA ALA A 86 85.835 48.422 -17.618 1.00 0.00 H new ATOM 0 HB1 ALA A 86 83.795 47.456 -16.606 1.00 0.00 H new ATOM 0 HB2 ALA A 86 83.407 48.600 -17.914 1.00 0.00 H new ATOM 0 HB3 ALA A 86 83.301 46.847 -18.204 1.00 0.00 H new ATOM 1357 N THR A 87 85.986 45.355 -18.676 1.00 0.00 N ATOM 1358 CA THR A 87 86.586 44.049 -18.432 1.00 0.00 C ATOM 1359 C THR A 87 86.903 43.337 -19.742 1.00 0.00 C ATOM 1360 O THR A 87 86.520 43.795 -20.819 1.00 0.00 O ATOM 1361 CB THR A 87 85.660 43.155 -17.586 1.00 0.00 C ATOM 1362 OG1 THR A 87 86.356 41.968 -17.187 1.00 0.00 O ATOM 1363 CG2 THR A 87 84.410 42.777 -18.367 1.00 0.00 C ATOM 0 H THR A 87 85.594 45.471 -19.611 1.00 0.00 H new ATOM 0 HA THR A 87 87.511 44.223 -17.883 1.00 0.00 H new ATOM 0 HB THR A 87 85.360 43.716 -16.701 1.00 0.00 H new ATOM 0 HG1 THR A 87 87.012 42.191 -16.494 1.00 0.00 H new ATOM 0 HG21 THR A 87 83.772 42.146 -17.749 1.00 0.00 H new ATOM 0 HG22 THR A 87 83.867 43.681 -18.644 1.00 0.00 H new ATOM 0 HG23 THR A 87 84.694 42.234 -19.268 1.00 0.00 H new ATOM 1371 N THR A 88 87.604 42.212 -19.644 1.00 0.00 N ATOM 1372 CA THR A 88 87.973 41.436 -20.822 1.00 0.00 C ATOM 1373 C THR A 88 86.749 40.792 -21.462 1.00 0.00 C ATOM 1374 O THR A 88 85.709 40.638 -20.820 1.00 0.00 O ATOM 1375 CB THR A 88 88.994 40.336 -20.473 1.00 0.00 C ATOM 1376 OG1 THR A 88 88.406 39.389 -19.575 1.00 0.00 O ATOM 1377 CG2 THR A 88 90.240 40.936 -19.839 1.00 0.00 C ATOM 0 H THR A 88 87.928 41.818 -18.761 1.00 0.00 H new ATOM 0 HA THR A 88 88.426 42.131 -21.529 1.00 0.00 H new ATOM 0 HB THR A 88 89.281 39.832 -21.396 1.00 0.00 H new ATOM 0 HG1 THR A 88 89.061 38.692 -19.360 1.00 0.00 H new ATOM 0 HG21 THR A 88 90.946 40.141 -19.601 1.00 0.00 H new ATOM 0 HG22 THR A 88 90.702 41.635 -20.536 1.00 0.00 H new ATOM 0 HG23 THR A 88 89.966 41.463 -18.925 1.00 0.00 H new ATOM 1385 N LEU A 89 86.878 40.417 -22.730 1.00 0.00 N ATOM 1386 CA LEU A 89 85.781 39.788 -23.457 1.00 0.00 C ATOM 1387 C LEU A 89 85.268 38.560 -22.713 1.00 0.00 C ATOM 1388 O LEU A 89 84.062 38.321 -22.645 1.00 0.00 O ATOM 1389 CB LEU A 89 86.236 39.393 -24.863 1.00 0.00 C ATOM 1390 CG LEU A 89 85.156 38.823 -25.783 1.00 0.00 C ATOM 1391 CD1 LEU A 89 84.571 39.917 -26.662 1.00 0.00 C ATOM 1392 CD2 LEU A 89 85.721 37.696 -26.635 1.00 0.00 C ATOM 0 H LEU A 89 87.731 40.538 -23.276 1.00 0.00 H new ATOM 0 HA LEU A 89 84.968 40.509 -23.534 1.00 0.00 H new ATOM 0 HB2 LEU A 89 86.668 40.271 -25.343 1.00 0.00 H new ATOM 0 HB3 LEU A 89 87.033 38.655 -24.771 1.00 0.00 H new ATOM 0 HG LEU A 89 84.356 38.417 -25.164 1.00 0.00 H new ATOM 0 HD11 LEU A 89 83.804 39.492 -27.310 1.00 0.00 H new ATOM 0 HD12 LEU A 89 84.128 40.690 -26.034 1.00 0.00 H new ATOM 0 HD13 LEU A 89 85.361 40.354 -27.273 1.00 0.00 H new ATOM 0 HD21 LEU A 89 84.938 37.303 -27.283 1.00 0.00 H new ATOM 0 HD22 LEU A 89 86.540 38.077 -27.245 1.00 0.00 H new ATOM 0 HD23 LEU A 89 86.090 36.900 -25.988 1.00 0.00 H new ATOM 1404 N TYR A 90 86.191 37.784 -22.154 1.00 0.00 N ATOM 1405 CA TYR A 90 85.832 36.580 -21.415 1.00 0.00 C ATOM 1406 C TYR A 90 84.794 36.890 -20.340 1.00 0.00 C ATOM 1407 O TYR A 90 83.929 36.068 -20.042 1.00 0.00 O ATOM 1408 CB TYR A 90 87.075 35.959 -20.775 1.00 0.00 C ATOM 1409 CG TYR A 90 86.768 34.797 -19.858 1.00 0.00 C ATOM 1410 CD1 TYR A 90 86.485 35.004 -18.513 1.00 0.00 C ATOM 1411 CD2 TYR A 90 86.761 33.493 -20.336 1.00 0.00 C ATOM 1412 CE1 TYR A 90 86.205 33.945 -17.671 1.00 0.00 C ATOM 1413 CE2 TYR A 90 86.480 32.428 -19.502 1.00 0.00 C ATOM 1414 CZ TYR A 90 86.203 32.659 -18.170 1.00 0.00 C ATOM 1415 OH TYR A 90 85.924 31.601 -17.336 1.00 0.00 O ATOM 0 H TYR A 90 87.193 37.968 -22.199 1.00 0.00 H new ATOM 0 HA TYR A 90 85.400 35.868 -22.118 1.00 0.00 H new ATOM 0 HB2 TYR A 90 87.748 35.621 -21.563 1.00 0.00 H new ATOM 0 HB3 TYR A 90 87.604 36.726 -20.210 1.00 0.00 H new ATOM 0 HD1 TYR A 90 86.484 36.010 -18.119 1.00 0.00 H new ATOM 0 HD2 TYR A 90 86.979 33.308 -21.378 1.00 0.00 H new ATOM 0 HE1 TYR A 90 85.989 34.123 -16.628 1.00 0.00 H new ATOM 0 HE2 TYR A 90 86.477 31.420 -19.890 1.00 0.00 H new ATOM 0 HH TYR A 90 85.963 30.764 -17.845 1.00 0.00 H new ATOM 1425 N ASN A 91 84.888 38.083 -19.763 1.00 0.00 N ATOM 1426 CA ASN A 91 83.958 38.503 -18.721 1.00 0.00 C ATOM 1427 C ASN A 91 82.722 39.161 -19.328 1.00 0.00 C ATOM 1428 O ASN A 91 81.611 39.013 -18.817 1.00 0.00 O ATOM 1429 CB ASN A 91 84.644 39.473 -17.757 1.00 0.00 C ATOM 1430 CG ASN A 91 85.407 38.755 -16.660 1.00 0.00 C ATOM 1431 OD1 ASN A 91 85.094 37.616 -16.315 1.00 0.00 O ATOM 1432 ND2 ASN A 91 86.414 39.421 -16.107 1.00 0.00 N ATOM 0 H ASN A 91 85.598 38.776 -19.999 1.00 0.00 H new ATOM 0 HA ASN A 91 83.643 37.616 -18.171 1.00 0.00 H new ATOM 0 HB2 ASN A 91 85.329 40.111 -18.315 1.00 0.00 H new ATOM 0 HB3 ASN A 91 83.895 40.125 -17.308 1.00 0.00 H new ATOM 0 HD21 ASN A 91 86.964 38.990 -15.364 1.00 0.00 H new ATOM 0 HD22 ASN A 91 86.638 40.364 -16.425 1.00 0.00 H new ATOM 1439 N THR A 92 82.923 39.887 -20.423 1.00 0.00 N ATOM 1440 CA THR A 92 81.826 40.568 -21.100 1.00 0.00 C ATOM 1441 C THR A 92 80.792 39.572 -21.610 1.00 0.00 C ATOM 1442 O THR A 92 79.588 39.796 -21.489 1.00 0.00 O ATOM 1443 CB THR A 92 82.335 41.414 -22.282 1.00 0.00 C ATOM 1444 OG1 THR A 92 83.252 42.409 -21.814 1.00 0.00 O ATOM 1445 CG2 THR A 92 81.177 42.085 -23.005 1.00 0.00 C ATOM 0 H THR A 92 83.835 40.019 -20.860 1.00 0.00 H new ATOM 0 HA THR A 92 81.361 41.226 -20.366 1.00 0.00 H new ATOM 0 HB THR A 92 82.845 40.751 -22.981 1.00 0.00 H new ATOM 0 HG1 THR A 92 84.056 41.973 -21.461 1.00 0.00 H new ATOM 0 HG21 THR A 92 81.561 42.677 -23.836 1.00 0.00 H new ATOM 0 HG22 THR A 92 80.496 41.324 -23.386 1.00 0.00 H new ATOM 0 HG23 THR A 92 80.643 42.736 -22.312 1.00 0.00 H new ATOM 1453 N GLU A 93 81.269 38.470 -22.182 1.00 0.00 N ATOM 1454 CA GLU A 93 80.384 37.440 -22.711 1.00 0.00 C ATOM 1455 C GLU A 93 79.571 36.794 -21.592 1.00 0.00 C ATOM 1456 O GLU A 93 78.439 36.359 -21.804 1.00 0.00 O ATOM 1457 CB GLU A 93 81.193 36.372 -23.450 1.00 0.00 C ATOM 1458 CG GLU A 93 81.813 36.866 -24.746 1.00 0.00 C ATOM 1459 CD GLU A 93 81.606 35.901 -25.897 1.00 0.00 C ATOM 1460 OE1 GLU A 93 80.467 35.812 -26.401 1.00 0.00 O ATOM 1461 OE2 GLU A 93 82.585 35.234 -26.295 1.00 0.00 O ATOM 0 H GLU A 93 82.263 38.269 -22.290 1.00 0.00 H new ATOM 0 HA GLU A 93 79.695 37.913 -23.411 1.00 0.00 H new ATOM 0 HB2 GLU A 93 81.984 36.009 -22.794 1.00 0.00 H new ATOM 0 HB3 GLU A 93 80.545 35.523 -23.668 1.00 0.00 H new ATOM 0 HG2 GLU A 93 81.382 37.833 -25.005 1.00 0.00 H new ATOM 0 HG3 GLU A 93 82.881 37.023 -24.596 1.00 0.00 H new ATOM 1468 N VAL A 94 80.158 36.735 -20.401 1.00 0.00 N ATOM 1469 CA VAL A 94 79.489 36.143 -19.248 1.00 0.00 C ATOM 1470 C VAL A 94 78.479 37.111 -18.642 1.00 0.00 C ATOM 1471 O VAL A 94 77.368 36.720 -18.280 1.00 0.00 O ATOM 1472 CB VAL A 94 80.501 35.729 -18.164 1.00 0.00 C ATOM 1473 CG1 VAL A 94 79.784 35.126 -16.965 1.00 0.00 C ATOM 1474 CG2 VAL A 94 81.520 34.753 -18.732 1.00 0.00 C ATOM 0 H VAL A 94 81.095 37.090 -20.209 1.00 0.00 H new ATOM 0 HA VAL A 94 78.967 35.255 -19.606 1.00 0.00 H new ATOM 0 HB VAL A 94 81.032 36.620 -17.829 1.00 0.00 H new ATOM 0 HG11 VAL A 94 80.516 34.840 -16.210 1.00 0.00 H new ATOM 0 HG12 VAL A 94 79.097 35.861 -16.545 1.00 0.00 H new ATOM 0 HG13 VAL A 94 79.225 34.245 -17.281 1.00 0.00 H new ATOM 0 HG21 VAL A 94 82.228 34.471 -17.952 1.00 0.00 H new ATOM 0 HG22 VAL A 94 81.007 33.863 -19.096 1.00 0.00 H new ATOM 0 HG23 VAL A 94 82.056 35.225 -19.555 1.00 0.00 H new ATOM 1484 N LEU A 95 78.871 38.376 -18.535 1.00 0.00 N ATOM 1485 CA LEU A 95 77.999 39.402 -17.973 1.00 0.00 C ATOM 1486 C LEU A 95 76.784 39.633 -18.866 1.00 0.00 C ATOM 1487 O LEU A 95 75.643 39.466 -18.435 1.00 0.00 O ATOM 1488 CB LEU A 95 78.770 40.711 -17.792 1.00 0.00 C ATOM 1489 CG LEU A 95 79.876 40.698 -16.737 1.00 0.00 C ATOM 1490 CD1 LEU A 95 80.641 42.012 -16.749 1.00 0.00 C ATOM 1491 CD2 LEU A 95 79.293 40.431 -15.357 1.00 0.00 C ATOM 0 H LEU A 95 79.786 38.716 -18.830 1.00 0.00 H new ATOM 0 HA LEU A 95 77.651 39.055 -17.000 1.00 0.00 H new ATOM 0 HB2 LEU A 95 79.212 40.984 -18.750 1.00 0.00 H new ATOM 0 HB3 LEU A 95 78.059 41.496 -17.534 1.00 0.00 H new ATOM 0 HG LEU A 95 80.572 39.894 -16.978 1.00 0.00 H new ATOM 0 HD11 LEU A 95 81.424 41.984 -15.991 1.00 0.00 H new ATOM 0 HD12 LEU A 95 81.091 42.162 -17.730 1.00 0.00 H new ATOM 0 HD13 LEU A 95 79.957 42.833 -16.534 1.00 0.00 H new ATOM 0 HD21 LEU A 95 80.095 40.425 -14.618 1.00 0.00 H new ATOM 0 HD22 LEU A 95 78.575 41.213 -15.108 1.00 0.00 H new ATOM 0 HD23 LEU A 95 78.791 39.464 -15.355 1.00 0.00 H new ATOM 1503 N LEU A 96 77.037 40.016 -20.113 1.00 0.00 N ATOM 1504 CA LEU A 96 75.964 40.269 -21.068 1.00 0.00 C ATOM 1505 C LEU A 96 75.027 39.069 -21.163 1.00 0.00 C ATOM 1506 O LEU A 96 73.805 39.222 -21.172 1.00 0.00 O ATOM 1507 CB LEU A 96 76.546 40.586 -22.447 1.00 0.00 C ATOM 1508 CG LEU A 96 75.543 41.026 -23.514 1.00 0.00 C ATOM 1509 CD1 LEU A 96 74.823 42.293 -23.079 1.00 0.00 C ATOM 1510 CD2 LEU A 96 76.243 41.240 -24.848 1.00 0.00 C ATOM 0 H LEU A 96 77.976 40.158 -20.486 1.00 0.00 H new ATOM 0 HA LEU A 96 75.392 41.127 -20.716 1.00 0.00 H new ATOM 0 HB2 LEU A 96 77.292 41.372 -22.332 1.00 0.00 H new ATOM 0 HB3 LEU A 96 77.068 39.701 -22.811 1.00 0.00 H new ATOM 0 HG LEU A 96 74.803 40.236 -23.637 1.00 0.00 H new ATOM 0 HD11 LEU A 96 74.113 42.591 -23.851 1.00 0.00 H new ATOM 0 HD12 LEU A 96 74.289 42.106 -22.147 1.00 0.00 H new ATOM 0 HD13 LEU A 96 75.550 43.091 -22.927 1.00 0.00 H new ATOM 0 HD21 LEU A 96 75.514 41.553 -25.595 1.00 0.00 H new ATOM 0 HD22 LEU A 96 77.005 42.012 -24.739 1.00 0.00 H new ATOM 0 HD23 LEU A 96 76.712 40.309 -25.166 1.00 0.00 H new ATOM 1522 N SER A 97 75.607 37.875 -21.233 1.00 0.00 N ATOM 1523 CA SER A 97 74.823 36.649 -21.329 1.00 0.00 C ATOM 1524 C SER A 97 73.784 36.580 -20.214 1.00 0.00 C ATOM 1525 O SER A 97 72.581 36.538 -20.473 1.00 0.00 O ATOM 1526 CB SER A 97 75.741 35.426 -21.263 1.00 0.00 C ATOM 1527 OG SER A 97 74.988 34.228 -21.195 1.00 0.00 O ATOM 0 H SER A 97 76.617 37.731 -21.225 1.00 0.00 H new ATOM 0 HA SER A 97 74.303 36.653 -22.287 1.00 0.00 H new ATOM 0 HB2 SER A 97 76.387 35.404 -22.141 1.00 0.00 H new ATOM 0 HB3 SER A 97 76.391 35.501 -20.391 1.00 0.00 H new ATOM 0 HG SER A 97 75.597 33.461 -21.155 1.00 0.00 H new ATOM 1533 N HIS A 98 74.258 36.568 -18.972 1.00 0.00 N ATOM 1534 CA HIS A 98 73.371 36.504 -17.816 1.00 0.00 C ATOM 1535 C HIS A 98 72.363 37.649 -17.841 1.00 0.00 C ATOM 1536 O HIS A 98 71.262 37.533 -17.301 1.00 0.00 O ATOM 1537 CB HIS A 98 74.182 36.552 -16.521 1.00 0.00 C ATOM 1538 CG HIS A 98 73.557 35.788 -15.394 1.00 0.00 C ATOM 1539 ND1 HIS A 98 72.204 35.533 -15.317 1.00 0.00 N ATOM 1540 CD2 HIS A 98 74.108 35.220 -14.296 1.00 0.00 C ATOM 1541 CE1 HIS A 98 71.950 34.843 -14.219 1.00 0.00 C ATOM 1542 NE2 HIS A 98 73.089 34.640 -13.582 1.00 0.00 N ATOM 0 H HIS A 98 75.251 36.602 -18.741 1.00 0.00 H new ATOM 0 HA HIS A 98 72.825 35.561 -17.860 1.00 0.00 H new ATOM 0 HB2 HIS A 98 75.178 36.153 -16.711 1.00 0.00 H new ATOM 0 HB3 HIS A 98 74.307 37.592 -16.219 1.00 0.00 H new ATOM 0 HD1 HIS A 98 71.508 35.830 -16.001 1.00 0.00 H new ATOM 0 HD2 HIS A 98 75.155 35.223 -14.031 1.00 0.00 H new ATOM 0 HE1 HIS A 98 70.977 34.503 -13.897 1.00 0.00 H new ATOM 1550 N LEU A 99 72.746 38.754 -18.470 1.00 0.00 N ATOM 1551 CA LEU A 99 71.876 39.922 -18.565 1.00 0.00 C ATOM 1552 C LEU A 99 70.725 39.665 -19.533 1.00 0.00 C ATOM 1553 O LEU A 99 69.648 40.247 -19.400 1.00 0.00 O ATOM 1554 CB LEU A 99 72.676 41.143 -19.019 1.00 0.00 C ATOM 1555 CG LEU A 99 73.057 42.141 -17.925 1.00 0.00 C ATOM 1556 CD1 LEU A 99 74.423 42.747 -18.206 1.00 0.00 C ATOM 1557 CD2 LEU A 99 72.002 43.231 -17.807 1.00 0.00 C ATOM 0 H LEU A 99 73.653 38.866 -18.922 1.00 0.00 H new ATOM 0 HA LEU A 99 71.460 40.116 -17.577 1.00 0.00 H new ATOM 0 HB2 LEU A 99 73.590 40.795 -19.500 1.00 0.00 H new ATOM 0 HB3 LEU A 99 72.097 41.670 -19.778 1.00 0.00 H new ATOM 0 HG LEU A 99 73.108 41.608 -16.976 1.00 0.00 H new ATOM 0 HD11 LEU A 99 74.677 43.455 -17.417 1.00 0.00 H new ATOM 0 HD12 LEU A 99 75.172 41.956 -18.239 1.00 0.00 H new ATOM 0 HD13 LEU A 99 74.401 43.265 -19.165 1.00 0.00 H new ATOM 0 HD21 LEU A 99 72.289 43.932 -17.024 1.00 0.00 H new ATOM 0 HD22 LEU A 99 71.919 43.761 -18.756 1.00 0.00 H new ATOM 0 HD23 LEU A 99 71.041 42.782 -17.557 1.00 0.00 H new ATOM 1569 N SER A 100 70.960 38.790 -20.505 1.00 0.00 N ATOM 1570 CA SER A 100 69.943 38.458 -21.496 1.00 0.00 C ATOM 1571 C SER A 100 69.113 37.260 -21.043 1.00 0.00 C ATOM 1572 O SER A 100 67.919 37.175 -21.328 1.00 0.00 O ATOM 1573 CB SER A 100 70.596 38.158 -22.847 1.00 0.00 C ATOM 1574 OG SER A 100 71.850 38.807 -22.963 1.00 0.00 O ATOM 0 H SER A 100 71.845 38.298 -20.628 1.00 0.00 H new ATOM 0 HA SER A 100 69.281 39.317 -21.603 1.00 0.00 H new ATOM 0 HB2 SER A 100 70.728 37.082 -22.959 1.00 0.00 H new ATOM 0 HB3 SER A 100 69.938 38.484 -23.653 1.00 0.00 H new ATOM 0 HG SER A 100 72.465 38.454 -22.286 1.00 0.00 H new ATOM 1580 N TYR A 101 69.755 36.338 -20.335 1.00 0.00 N ATOM 1581 CA TYR A 101 69.079 35.144 -19.843 1.00 0.00 C ATOM 1582 C TYR A 101 67.881 35.515 -18.974 1.00 0.00 C ATOM 1583 O TYR A 101 66.873 34.807 -18.949 1.00 0.00 O ATOM 1584 CB TYR A 101 70.051 34.272 -19.046 1.00 0.00 C ATOM 1585 CG TYR A 101 69.405 33.054 -18.427 1.00 0.00 C ATOM 1586 CD1 TYR A 101 68.844 33.111 -17.157 1.00 0.00 C ATOM 1587 CD2 TYR A 101 69.356 31.845 -19.111 1.00 0.00 C ATOM 1588 CE1 TYR A 101 68.253 32.000 -16.587 1.00 0.00 C ATOM 1589 CE2 TYR A 101 68.766 30.730 -18.550 1.00 0.00 C ATOM 1590 CZ TYR A 101 68.216 30.812 -17.287 1.00 0.00 C ATOM 1591 OH TYR A 101 67.628 29.703 -16.724 1.00 0.00 O ATOM 0 H TYR A 101 70.743 36.395 -20.089 1.00 0.00 H new ATOM 0 HA TYR A 101 68.720 34.581 -20.704 1.00 0.00 H new ATOM 0 HB2 TYR A 101 70.859 33.950 -19.703 1.00 0.00 H new ATOM 0 HB3 TYR A 101 70.502 34.874 -18.257 1.00 0.00 H new ATOM 0 HD1 TYR A 101 68.870 34.040 -16.606 1.00 0.00 H new ATOM 0 HD2 TYR A 101 69.787 31.777 -20.099 1.00 0.00 H new ATOM 0 HE1 TYR A 101 67.822 32.061 -15.599 1.00 0.00 H new ATOM 0 HE2 TYR A 101 68.735 29.799 -19.096 1.00 0.00 H new ATOM 0 HH TYR A 101 67.685 28.950 -17.348 1.00 0.00 H new ATOM 1601 N LEU A 102 67.999 36.630 -18.261 1.00 0.00 N ATOM 1602 CA LEU A 102 66.927 37.098 -17.390 1.00 0.00 C ATOM 1603 C LEU A 102 65.748 37.615 -18.207 1.00 0.00 C ATOM 1604 O LEU A 102 64.643 37.078 -18.130 1.00 0.00 O ATOM 1605 CB LEU A 102 67.442 38.199 -16.461 1.00 0.00 C ATOM 1606 CG LEU A 102 68.559 37.797 -15.498 1.00 0.00 C ATOM 1607 CD1 LEU A 102 69.178 39.029 -14.855 1.00 0.00 C ATOM 1608 CD2 LEU A 102 68.030 36.847 -14.434 1.00 0.00 C ATOM 0 H LEU A 102 68.826 37.227 -18.269 1.00 0.00 H new ATOM 0 HA LEU A 102 66.586 36.255 -16.789 1.00 0.00 H new ATOM 0 HB2 LEU A 102 67.799 39.027 -17.074 1.00 0.00 H new ATOM 0 HB3 LEU A 102 66.603 38.575 -15.876 1.00 0.00 H new ATOM 0 HG LEU A 102 69.333 37.280 -16.065 1.00 0.00 H new ATOM 0 HD11 LEU A 102 69.971 38.724 -14.173 1.00 0.00 H new ATOM 0 HD12 LEU A 102 69.594 39.674 -15.629 1.00 0.00 H new ATOM 0 HD13 LEU A 102 68.413 39.574 -14.302 1.00 0.00 H new ATOM 0 HD21 LEU A 102 68.839 36.572 -13.757 1.00 0.00 H new ATOM 0 HD22 LEU A 102 67.237 37.338 -13.870 1.00 0.00 H new ATOM 0 HD23 LEU A 102 67.635 35.950 -14.911 1.00 0.00 H new