USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 572 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 87 THR OG1 : rot 42:sc= -0.28 USER MOD Set 1.2: A 91 ASN : amide:sc= -3.49! C(o=-3.8!,f=-8.8!) USER MOD Set 2.1: A 57 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 98 HIS : no HD1:sc= -0.167 K(o=-0.17,f=-1.3) USER MOD Set 3.1: A 42 THR OG1 : rot 180:sc= -0.164 USER MOD Set 3.2: A 43 GLN : amide:sc= 0.376 K(o=0.21,f=-4.8!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0187 USER MOD Single : A 45 HIS : no HD1:sc= -4.2! C(o=-4.2!,f=-6.6!) 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= 0.0821 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 ASN : amide:sc= -0.0106 K(o=-0.011,f=-1.9!) USER MOD Single : A 70 MET CE :methyl -171:sc= -0.0324 (180deg=-0.214) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 CYS SG : rot 180:sc= -0.193 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl -151:sc= -0.281 (180deg=-1.29!) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 80 LYS NZ :NH3+ 167:sc= -0.433 (180deg=-0.918) 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 64:sc= 1.2 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot -57:sc= 1.23 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 459 N ILE A 33 67.003 38.445 -5.104 1.00 0.00 N ATOM 460 CA ILE A 33 68.134 38.445 -6.024 1.00 0.00 C ATOM 461 C ILE A 33 67.851 39.314 -7.244 1.00 0.00 C ATOM 462 O ILE A 33 68.756 39.938 -7.799 1.00 0.00 O ATOM 463 CB ILE A 33 68.479 37.019 -6.492 1.00 0.00 C ATOM 464 CG1 ILE A 33 69.738 37.034 -7.361 1.00 0.00 C ATOM 465 CG2 ILE A 33 67.309 36.415 -7.256 1.00 0.00 C ATOM 466 CD1 ILE A 33 70.575 35.780 -7.235 1.00 0.00 C ATOM 0 HA ILE A 33 68.984 38.855 -5.479 1.00 0.00 H new ATOM 0 HB ILE A 33 68.673 36.402 -5.615 1.00 0.00 H new ATOM 0 HG12 ILE A 33 69.448 37.164 -8.404 1.00 0.00 H new ATOM 0 HG13 ILE A 33 70.347 37.896 -7.089 1.00 0.00 H new ATOM 0 HG21 ILE A 33 67.568 35.407 -7.580 1.00 0.00 H new ATOM 0 HG22 ILE A 33 66.434 36.374 -6.608 1.00 0.00 H new ATOM 0 HG23 ILE A 33 67.087 37.031 -8.128 1.00 0.00 H new ATOM 0 HD11 ILE A 33 71.451 35.861 -7.879 1.00 0.00 H new ATOM 0 HD12 ILE A 33 70.895 35.659 -6.200 1.00 0.00 H new ATOM 0 HD13 ILE A 33 69.983 34.916 -7.535 1.00 0.00 H new ATOM 478 N VAL A 34 66.588 39.352 -7.657 1.00 0.00 N ATOM 479 CA VAL A 34 66.184 40.147 -8.810 1.00 0.00 C ATOM 480 C VAL A 34 64.716 40.547 -8.714 1.00 0.00 C ATOM 481 O VAL A 34 63.853 39.753 -8.340 1.00 0.00 O ATOM 482 CB VAL A 34 66.411 39.382 -10.127 1.00 0.00 C ATOM 483 CG1 VAL A 34 65.359 39.765 -11.156 1.00 0.00 C ATOM 484 CG2 VAL A 34 67.811 39.645 -10.661 1.00 0.00 C ATOM 0 H VAL A 34 65.827 38.841 -7.210 1.00 0.00 H new ATOM 0 HA VAL A 34 66.803 41.044 -8.809 1.00 0.00 H new ATOM 0 HB VAL A 34 66.317 38.315 -9.927 1.00 0.00 H new ATOM 0 HG11 VAL A 34 65.536 39.214 -12.080 1.00 0.00 H new ATOM 0 HG12 VAL A 34 64.369 39.521 -10.772 1.00 0.00 H new ATOM 0 HG13 VAL A 34 65.417 40.835 -11.355 1.00 0.00 H new ATOM 0 HG21 VAL A 34 67.954 39.097 -11.592 1.00 0.00 H new ATOM 0 HG22 VAL A 34 67.936 40.712 -10.845 1.00 0.00 H new ATOM 0 HG23 VAL A 34 68.548 39.315 -9.929 1.00 0.00 H new ATOM 494 N PRO A 35 64.423 41.809 -9.061 1.00 0.00 N ATOM 495 CA PRO A 35 63.058 42.344 -9.023 1.00 0.00 C ATOM 496 C PRO A 35 62.168 41.737 -10.102 1.00 0.00 C ATOM 497 O PRO A 35 61.051 41.302 -9.826 1.00 0.00 O ATOM 498 CB PRO A 35 63.257 43.841 -9.274 1.00 0.00 C ATOM 499 CG PRO A 35 64.538 43.932 -10.029 1.00 0.00 C ATOM 500 CD PRO A 35 65.401 42.811 -9.517 1.00 0.00 C ATOM 0 HA PRO A 35 62.558 42.118 -8.081 1.00 0.00 H new ATOM 0 HB2 PRO A 35 62.429 44.260 -9.847 1.00 0.00 H new ATOM 0 HB3 PRO A 35 63.309 44.396 -8.337 1.00 0.00 H new ATOM 0 HG2 PRO A 35 64.367 43.834 -11.101 1.00 0.00 H new ATOM 0 HG3 PRO A 35 65.017 44.898 -9.869 1.00 0.00 H new ATOM 0 HD2 PRO A 35 66.049 42.414 -10.298 1.00 0.00 H new ATOM 0 HD3 PRO A 35 66.048 43.141 -8.704 1.00 0.00 H new ATOM 508 N ALA A 36 62.670 41.711 -11.332 1.00 0.00 N ATOM 509 CA ALA A 36 61.921 41.155 -12.452 1.00 0.00 C ATOM 510 C ALA A 36 62.736 41.210 -13.740 1.00 0.00 C ATOM 511 O ALA A 36 63.179 40.181 -14.249 1.00 0.00 O ATOM 512 CB ALA A 36 60.605 41.898 -12.627 1.00 0.00 C ATOM 0 H ALA A 36 63.593 42.069 -11.578 1.00 0.00 H new ATOM 0 HA ALA A 36 61.709 40.109 -12.231 1.00 0.00 H new ATOM 0 HB1 ALA A 36 60.056 41.472 -13.467 1.00 0.00 H new ATOM 0 HB2 ALA A 36 60.010 41.803 -11.719 1.00 0.00 H new ATOM 0 HB3 ALA A 36 60.805 42.952 -12.821 1.00 0.00 H new ATOM 518 N ASP A 37 62.930 42.416 -14.261 1.00 0.00 N ATOM 519 CA ASP A 37 63.693 42.605 -15.489 1.00 0.00 C ATOM 520 C ASP A 37 64.893 43.515 -15.249 1.00 0.00 C ATOM 521 O ASP A 37 64.950 44.265 -14.274 1.00 0.00 O ATOM 522 CB ASP A 37 62.801 43.195 -16.583 1.00 0.00 C ATOM 523 CG ASP A 37 62.247 42.133 -17.513 1.00 0.00 C ATOM 524 OD1 ASP A 37 61.978 41.010 -17.038 1.00 0.00 O ATOM 525 OD2 ASP A 37 62.080 42.427 -18.715 1.00 0.00 O ATOM 0 H ASP A 37 62.569 43.278 -13.852 1.00 0.00 H new ATOM 0 HA ASP A 37 64.058 41.631 -15.814 1.00 0.00 H new ATOM 0 HB2 ASP A 37 61.975 43.737 -16.122 1.00 0.00 H new ATOM 0 HB3 ASP A 37 63.373 43.919 -17.163 1.00 0.00 H new ATOM 530 N PRO A 38 65.878 43.449 -16.158 1.00 0.00 N ATOM 531 CA PRO A 38 67.096 44.259 -16.066 1.00 0.00 C ATOM 532 C PRO A 38 66.828 45.739 -16.321 1.00 0.00 C ATOM 533 O PRO A 38 67.661 46.593 -16.015 1.00 0.00 O ATOM 534 CB PRO A 38 67.990 43.681 -17.165 1.00 0.00 C ATOM 535 CG PRO A 38 67.044 43.082 -18.148 1.00 0.00 C ATOM 536 CD PRO A 38 65.877 42.577 -17.345 1.00 0.00 C ATOM 0 HA PRO A 38 67.539 44.217 -15.071 1.00 0.00 H new ATOM 0 HB2 PRO A 38 68.602 44.456 -17.626 1.00 0.00 H new ATOM 0 HB3 PRO A 38 68.673 42.931 -16.766 1.00 0.00 H new ATOM 0 HG2 PRO A 38 66.722 43.822 -18.881 1.00 0.00 H new ATOM 0 HG3 PRO A 38 67.518 42.271 -18.701 1.00 0.00 H new ATOM 0 HD2 PRO A 38 64.943 42.656 -17.901 1.00 0.00 H new ATOM 0 HD3 PRO A 38 65.999 41.528 -17.074 1.00 0.00 H new ATOM 544 N THR A 39 65.660 46.036 -16.882 1.00 0.00 N ATOM 545 CA THR A 39 65.283 47.412 -17.178 1.00 0.00 C ATOM 546 C THR A 39 64.830 48.142 -15.918 1.00 0.00 C ATOM 547 O THR A 39 65.049 49.345 -15.772 1.00 0.00 O ATOM 548 CB THR A 39 64.155 47.473 -18.225 1.00 0.00 C ATOM 549 OG1 THR A 39 63.123 46.539 -17.889 1.00 0.00 O ATOM 550 CG2 THR A 39 64.691 47.165 -19.615 1.00 0.00 C ATOM 0 H THR A 39 64.959 45.342 -17.140 1.00 0.00 H new ATOM 0 HA THR A 39 66.170 47.902 -17.580 1.00 0.00 H new ATOM 0 HB THR A 39 63.744 48.483 -18.226 1.00 0.00 H new ATOM 0 HG1 THR A 39 62.409 46.585 -18.559 1.00 0.00 H new ATOM 0 HG21 THR A 39 63.877 47.214 -20.338 1.00 0.00 H new ATOM 0 HG22 THR A 39 65.456 47.895 -19.880 1.00 0.00 H new ATOM 0 HG23 THR A 39 65.125 46.165 -19.624 1.00 0.00 H new ATOM 558 N LEU A 40 64.197 47.407 -15.010 1.00 0.00 N ATOM 559 CA LEU A 40 63.713 47.984 -13.760 1.00 0.00 C ATOM 560 C LEU A 40 64.629 47.612 -12.598 1.00 0.00 C ATOM 561 O LEU A 40 64.176 47.082 -11.584 1.00 0.00 O ATOM 562 CB LEU A 40 62.288 47.508 -13.474 1.00 0.00 C ATOM 563 CG LEU A 40 61.274 47.709 -14.601 1.00 0.00 C ATOM 564 CD1 LEU A 40 60.001 46.926 -14.320 1.00 0.00 C ATOM 565 CD2 LEU A 40 60.963 49.188 -14.780 1.00 0.00 C ATOM 0 H LEU A 40 64.007 46.410 -15.116 1.00 0.00 H new ATOM 0 HA LEU A 40 63.713 49.069 -13.865 1.00 0.00 H new ATOM 0 HB2 LEU A 40 62.323 46.446 -13.229 1.00 0.00 H new ATOM 0 HB3 LEU A 40 61.924 48.028 -12.588 1.00 0.00 H new ATOM 0 HG LEU A 40 61.710 47.334 -15.527 1.00 0.00 H new ATOM 0 HD11 LEU A 40 59.291 47.081 -15.133 1.00 0.00 H new ATOM 0 HD12 LEU A 40 60.236 45.865 -14.242 1.00 0.00 H new ATOM 0 HD13 LEU A 40 59.561 47.270 -13.384 1.00 0.00 H new ATOM 0 HD21 LEU A 40 60.240 49.313 -15.586 1.00 0.00 H new ATOM 0 HD22 LEU A 40 60.548 49.587 -13.855 1.00 0.00 H new ATOM 0 HD23 LEU A 40 61.879 49.725 -15.028 1.00 0.00 H new ATOM 577 N TRP A 41 65.917 47.895 -12.753 1.00 0.00 N ATOM 578 CA TRP A 41 66.896 47.592 -11.715 1.00 0.00 C ATOM 579 C TRP A 41 67.274 48.850 -10.940 1.00 0.00 C ATOM 580 O TRP A 41 67.104 49.968 -11.428 1.00 0.00 O ATOM 581 CB TRP A 41 68.147 46.965 -12.333 1.00 0.00 C ATOM 582 CG TRP A 41 68.146 45.467 -12.283 1.00 0.00 C ATOM 583 CD1 TRP A 41 67.053 44.649 -12.237 1.00 0.00 C ATOM 584 CD2 TRP A 41 69.292 44.609 -12.273 1.00 0.00 C ATOM 585 NE1 TRP A 41 67.451 43.334 -12.199 1.00 0.00 N ATOM 586 CE2 TRP A 41 68.820 43.283 -12.220 1.00 0.00 C ATOM 587 CE3 TRP A 41 70.671 44.832 -12.304 1.00 0.00 C ATOM 588 CZ2 TRP A 41 69.679 42.187 -12.198 1.00 0.00 C ATOM 589 CZ3 TRP A 41 71.523 43.743 -12.281 1.00 0.00 C ATOM 590 CH2 TRP A 41 71.024 42.435 -12.229 1.00 0.00 C ATOM 0 H TRP A 41 66.308 48.334 -13.587 1.00 0.00 H new ATOM 0 HA TRP A 41 66.446 46.881 -11.022 1.00 0.00 H new ATOM 0 HB2 TRP A 41 68.231 47.287 -13.371 1.00 0.00 H new ATOM 0 HB3 TRP A 41 69.028 47.338 -11.811 1.00 0.00 H new ATOM 0 HD1 TRP A 41 66.027 44.986 -12.231 1.00 0.00 H new ATOM 0 HE1 TRP A 41 66.828 42.527 -12.161 1.00 0.00 H new ATOM 0 HE3 TRP A 41 71.064 45.837 -12.345 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 69.297 41.178 -12.158 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 72.591 43.904 -12.303 1.00 0.00 H new ATOM 0 HH2 TRP A 41 71.715 41.605 -12.213 1.00 0.00 H new ATOM 601 N THR A 42 67.787 48.660 -9.728 1.00 0.00 N ATOM 602 CA THR A 42 68.187 49.779 -8.884 1.00 0.00 C ATOM 603 C THR A 42 69.686 49.749 -8.605 1.00 0.00 C ATOM 604 O THR A 42 70.358 48.757 -8.886 1.00 0.00 O ATOM 605 CB THR A 42 67.426 49.774 -7.545 1.00 0.00 C ATOM 606 OG1 THR A 42 67.690 50.984 -6.827 1.00 0.00 O ATOM 607 CG2 THR A 42 67.831 48.577 -6.698 1.00 0.00 C ATOM 0 H THR A 42 67.935 47.742 -9.309 1.00 0.00 H new ATOM 0 HA THR A 42 67.940 50.690 -9.429 1.00 0.00 H new ATOM 0 HB THR A 42 66.359 49.704 -7.758 1.00 0.00 H new ATOM 0 HG1 THR A 42 67.201 50.974 -5.978 1.00 0.00 H new ATOM 0 HG21 THR A 42 67.281 48.594 -5.757 1.00 0.00 H new ATOM 0 HG22 THR A 42 67.602 47.657 -7.235 1.00 0.00 H new ATOM 0 HG23 THR A 42 68.901 48.621 -6.494 1.00 0.00 H new ATOM 615 N GLN A 43 70.202 50.840 -8.049 1.00 0.00 N ATOM 616 CA GLN A 43 71.621 50.937 -7.732 1.00 0.00 C ATOM 617 C GLN A 43 72.056 49.790 -6.825 1.00 0.00 C ATOM 618 O GLN A 43 73.201 49.343 -6.880 1.00 0.00 O ATOM 619 CB GLN A 43 71.925 52.277 -7.060 1.00 0.00 C ATOM 620 CG GLN A 43 71.873 53.461 -8.012 1.00 0.00 C ATOM 621 CD GLN A 43 70.586 54.252 -7.890 1.00 0.00 C ATOM 622 OE1 GLN A 43 69.529 53.696 -7.588 1.00 0.00 O ATOM 623 NE2 GLN A 43 70.667 55.556 -8.125 1.00 0.00 N ATOM 0 H GLN A 43 69.658 51.669 -7.809 1.00 0.00 H new ATOM 0 HA GLN A 43 72.181 50.871 -8.665 1.00 0.00 H new ATOM 0 HB2 GLN A 43 71.211 52.439 -6.252 1.00 0.00 H new ATOM 0 HB3 GLN A 43 72.915 52.230 -6.606 1.00 0.00 H new ATOM 0 HG2 GLN A 43 72.719 54.119 -7.814 1.00 0.00 H new ATOM 0 HG3 GLN A 43 71.980 53.104 -9.036 1.00 0.00 H new ATOM 0 HE21 GLN A 43 71.564 55.975 -8.372 1.00 0.00 H new ATOM 0 HE22 GLN A 43 69.833 56.139 -8.058 1.00 0.00 H new ATOM 632 N GLU A 44 71.133 49.319 -5.992 1.00 0.00 N ATOM 633 CA GLU A 44 71.422 48.224 -5.073 1.00 0.00 C ATOM 634 C GLU A 44 71.535 46.900 -5.823 1.00 0.00 C ATOM 635 O GLU A 44 72.222 45.979 -5.379 1.00 0.00 O ATOM 636 CB GLU A 44 70.333 48.126 -4.003 1.00 0.00 C ATOM 637 CG GLU A 44 70.798 47.455 -2.721 1.00 0.00 C ATOM 638 CD GLU A 44 71.963 48.178 -2.073 1.00 0.00 C ATOM 639 OE1 GLU A 44 71.778 49.336 -1.643 1.00 0.00 O ATOM 640 OE2 GLU A 44 73.059 47.586 -1.997 1.00 0.00 O ATOM 0 H GLU A 44 70.180 49.678 -5.935 1.00 0.00 H new ATOM 0 HA GLU A 44 72.377 48.431 -4.591 1.00 0.00 H new ATOM 0 HB2 GLU A 44 69.974 49.128 -3.769 1.00 0.00 H new ATOM 0 HB3 GLU A 44 69.487 47.571 -4.408 1.00 0.00 H new ATOM 0 HG2 GLU A 44 69.967 47.409 -2.017 1.00 0.00 H new ATOM 0 HG3 GLU A 44 71.089 46.427 -2.938 1.00 0.00 H new ATOM 647 N HIS A 45 70.854 46.811 -6.961 1.00 0.00 N ATOM 648 CA HIS A 45 70.877 45.600 -7.773 1.00 0.00 C ATOM 649 C HIS A 45 72.071 45.605 -8.724 1.00 0.00 C ATOM 650 O HIS A 45 72.558 44.551 -9.131 1.00 0.00 O ATOM 651 CB HIS A 45 69.578 45.469 -8.568 1.00 0.00 C ATOM 652 CG HIS A 45 68.432 44.942 -7.761 1.00 0.00 C ATOM 653 ND1 HIS A 45 67.250 45.631 -7.592 1.00 0.00 N ATOM 654 CD2 HIS A 45 68.291 43.783 -7.074 1.00 0.00 C ATOM 655 CE1 HIS A 45 66.432 44.921 -6.835 1.00 0.00 C ATOM 656 NE2 HIS A 45 67.040 43.795 -6.508 1.00 0.00 N ATOM 0 H HIS A 45 70.280 47.563 -7.342 1.00 0.00 H new ATOM 0 HA HIS A 45 70.972 44.745 -7.103 1.00 0.00 H new ATOM 0 HB2 HIS A 45 69.309 46.445 -8.972 1.00 0.00 H new ATOM 0 HB3 HIS A 45 69.747 44.808 -9.418 1.00 0.00 H new ATOM 0 HD2 HIS A 45 69.026 42.996 -6.988 1.00 0.00 H new ATOM 0 HE1 HIS A 45 65.436 45.212 -6.535 1.00 0.00 H new ATOM 0 HE2 HIS A 45 66.644 43.054 -5.929 1.00 0.00 H new ATOM 664 N VAL A 46 72.536 46.800 -9.074 1.00 0.00 N ATOM 665 CA VAL A 46 73.673 46.943 -9.976 1.00 0.00 C ATOM 666 C VAL A 46 74.984 46.641 -9.261 1.00 0.00 C ATOM 667 O VAL A 46 75.970 46.253 -9.887 1.00 0.00 O ATOM 668 CB VAL A 46 73.741 48.362 -10.573 1.00 0.00 C ATOM 669 CG1 VAL A 46 74.941 48.496 -11.497 1.00 0.00 C ATOM 670 CG2 VAL A 46 72.451 48.693 -11.308 1.00 0.00 C ATOM 0 H VAL A 46 72.143 47.683 -8.747 1.00 0.00 H new ATOM 0 HA VAL A 46 73.529 46.224 -10.782 1.00 0.00 H new ATOM 0 HB VAL A 46 73.860 49.075 -9.757 1.00 0.00 H new ATOM 0 HG11 VAL A 46 74.972 49.505 -11.909 1.00 0.00 H new ATOM 0 HG12 VAL A 46 75.856 48.305 -10.936 1.00 0.00 H new ATOM 0 HG13 VAL A 46 74.857 47.775 -12.310 1.00 0.00 H new ATOM 0 HG21 VAL A 46 72.517 49.699 -11.723 1.00 0.00 H new ATOM 0 HG22 VAL A 46 72.298 47.977 -12.115 1.00 0.00 H new ATOM 0 HG23 VAL A 46 71.613 48.641 -10.613 1.00 0.00 H new ATOM 680 N ARG A 47 74.989 46.821 -7.944 1.00 0.00 N ATOM 681 CA ARG A 47 76.180 46.569 -7.142 1.00 0.00 C ATOM 682 C ARG A 47 76.221 45.117 -6.673 1.00 0.00 C ATOM 683 O ARG A 47 77.183 44.397 -6.938 1.00 0.00 O ATOM 684 CB ARG A 47 76.216 47.507 -5.935 1.00 0.00 C ATOM 685 CG ARG A 47 77.522 48.273 -5.798 1.00 0.00 C ATOM 686 CD ARG A 47 77.435 49.333 -4.711 1.00 0.00 C ATOM 687 NE ARG A 47 78.583 49.287 -3.810 1.00 0.00 N ATOM 688 CZ ARG A 47 79.804 49.681 -4.154 1.00 0.00 C ATOM 689 NH1 ARG A 47 80.035 50.147 -5.374 1.00 0.00 N ATOM 690 NH2 ARG A 47 80.798 49.609 -3.278 1.00 0.00 N ATOM 0 H ARG A 47 74.181 47.141 -7.410 1.00 0.00 H new ATOM 0 HA ARG A 47 77.054 46.757 -7.765 1.00 0.00 H new ATOM 0 HB2 ARG A 47 75.394 48.218 -6.014 1.00 0.00 H new ATOM 0 HB3 ARG A 47 76.049 46.925 -5.028 1.00 0.00 H new ATOM 0 HG2 ARG A 47 78.330 47.579 -5.567 1.00 0.00 H new ATOM 0 HG3 ARG A 47 77.770 48.745 -6.749 1.00 0.00 H new ATOM 0 HD2 ARG A 47 77.374 50.320 -5.171 1.00 0.00 H new ATOM 0 HD3 ARG A 47 76.519 49.191 -4.138 1.00 0.00 H new ATOM 0 HE ARG A 47 78.439 48.933 -2.864 1.00 0.00 H new ATOM 0 HH11 ARG A 47 79.274 50.204 -6.051 1.00 0.00 H new ATOM 0 HH12 ARG A 47 80.974 50.449 -5.635 1.00 0.00 H new ATOM 0 HH21 ARG A 47 80.625 49.251 -2.339 1.00 0.00 H new ATOM 0 HH22 ARG A 47 81.735 49.912 -3.544 1.00 0.00 H new ATOM 704 N GLN A 48 75.172 44.696 -5.974 1.00 0.00 N ATOM 705 CA GLN A 48 75.090 43.332 -5.467 1.00 0.00 C ATOM 706 C GLN A 48 75.328 42.321 -6.584 1.00 0.00 C ATOM 707 O GLN A 48 76.095 41.371 -6.422 1.00 0.00 O ATOM 708 CB GLN A 48 73.725 43.086 -4.823 1.00 0.00 C ATOM 709 CG GLN A 48 73.628 43.588 -3.392 1.00 0.00 C ATOM 710 CD GLN A 48 73.080 42.542 -2.441 1.00 0.00 C ATOM 711 OE1 GLN A 48 73.715 41.516 -2.196 1.00 0.00 O ATOM 712 NE2 GLN A 48 71.894 42.796 -1.900 1.00 0.00 N ATOM 0 H GLN A 48 74.367 45.280 -5.746 1.00 0.00 H new ATOM 0 HA GLN A 48 75.867 43.204 -4.714 1.00 0.00 H new ATOM 0 HB2 GLN A 48 72.956 43.573 -5.423 1.00 0.00 H new ATOM 0 HB3 GLN A 48 73.512 42.017 -4.839 1.00 0.00 H new ATOM 0 HG2 GLN A 48 74.616 43.900 -3.053 1.00 0.00 H new ATOM 0 HG3 GLN A 48 72.988 44.470 -3.363 1.00 0.00 H new ATOM 0 HE21 GLN A 48 71.402 43.659 -2.131 1.00 0.00 H new ATOM 0 HE22 GLN A 48 71.475 42.128 -1.253 1.00 0.00 H new ATOM 721 N TRP A 49 74.666 42.531 -7.716 1.00 0.00 N ATOM 722 CA TRP A 49 74.806 41.637 -8.860 1.00 0.00 C ATOM 723 C TRP A 49 76.275 41.437 -9.218 1.00 0.00 C ATOM 724 O TRP A 49 76.725 40.309 -9.427 1.00 0.00 O ATOM 725 CB TRP A 49 74.046 42.195 -10.065 1.00 0.00 C ATOM 726 CG TRP A 49 74.281 41.420 -11.326 1.00 0.00 C ATOM 727 CD1 TRP A 49 73.806 40.174 -11.623 1.00 0.00 C ATOM 728 CD2 TRP A 49 75.051 41.838 -12.458 1.00 0.00 C ATOM 729 NE1 TRP A 49 74.234 39.793 -12.872 1.00 0.00 N ATOM 730 CE2 TRP A 49 74.998 40.797 -13.405 1.00 0.00 C ATOM 731 CE3 TRP A 49 75.777 42.992 -12.765 1.00 0.00 C ATOM 732 CZ2 TRP A 49 75.646 40.877 -14.635 1.00 0.00 C ATOM 733 CZ3 TRP A 49 76.419 43.070 -13.986 1.00 0.00 C ATOM 734 CH2 TRP A 49 76.350 42.018 -14.910 1.00 0.00 C ATOM 0 H TRP A 49 74.027 43.312 -7.866 1.00 0.00 H new ATOM 0 HA TRP A 49 74.383 40.670 -8.588 1.00 0.00 H new ATOM 0 HB2 TRP A 49 72.979 42.199 -9.843 1.00 0.00 H new ATOM 0 HB3 TRP A 49 74.342 43.232 -10.224 1.00 0.00 H new ATOM 0 HD1 TRP A 49 73.185 39.576 -10.972 1.00 0.00 H new ATOM 0 HE1 TRP A 49 74.018 38.907 -13.328 1.00 0.00 H new ATOM 0 HE3 TRP A 49 75.835 43.808 -12.060 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 75.595 40.067 -15.347 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 76.984 43.957 -14.233 1.00 0.00 H new ATOM 0 HH2 TRP A 49 76.862 42.110 -15.857 1.00 0.00 H new ATOM 745 N LEU A 50 77.017 42.536 -9.288 1.00 0.00 N ATOM 746 CA LEU A 50 78.437 42.480 -9.620 1.00 0.00 C ATOM 747 C LEU A 50 79.169 41.489 -8.720 1.00 0.00 C ATOM 748 O LEU A 50 79.908 40.630 -9.200 1.00 0.00 O ATOM 749 CB LEU A 50 79.066 43.868 -9.488 1.00 0.00 C ATOM 750 CG LEU A 50 80.296 44.132 -10.357 1.00 0.00 C ATOM 751 CD1 LEU A 50 79.923 44.111 -11.832 1.00 0.00 C ATOM 752 CD2 LEU A 50 80.936 45.463 -9.987 1.00 0.00 C ATOM 0 H LEU A 50 76.660 43.476 -9.120 1.00 0.00 H new ATOM 0 HA LEU A 50 78.531 42.142 -10.652 1.00 0.00 H new ATOM 0 HB2 LEU A 50 78.308 44.613 -9.730 1.00 0.00 H new ATOM 0 HB3 LEU A 50 79.343 44.022 -8.445 1.00 0.00 H new ATOM 0 HG LEU A 50 81.021 43.339 -10.175 1.00 0.00 H new ATOM 0 HD11 LEU A 50 80.811 44.301 -12.435 1.00 0.00 H new ATOM 0 HD12 LEU A 50 79.512 43.135 -12.089 1.00 0.00 H new ATOM 0 HD13 LEU A 50 79.179 44.882 -12.030 1.00 0.00 H new ATOM 0 HD21 LEU A 50 81.810 45.634 -10.616 1.00 0.00 H new ATOM 0 HD22 LEU A 50 80.216 46.267 -10.139 1.00 0.00 H new ATOM 0 HD23 LEU A 50 81.241 45.442 -8.941 1.00 0.00 H new ATOM 764 N GLU A 51 78.955 41.615 -7.414 1.00 0.00 N ATOM 765 CA GLU A 51 79.594 40.729 -6.448 1.00 0.00 C ATOM 766 C GLU A 51 79.080 39.300 -6.598 1.00 0.00 C ATOM 767 O GLU A 51 79.776 38.341 -6.264 1.00 0.00 O ATOM 768 CB GLU A 51 79.343 41.226 -5.023 1.00 0.00 C ATOM 769 CG GLU A 51 80.567 41.845 -4.370 1.00 0.00 C ATOM 770 CD GLU A 51 80.711 41.453 -2.912 1.00 0.00 C ATOM 771 OE1 GLU A 51 81.349 40.415 -2.638 1.00 0.00 O ATOM 772 OE2 GLU A 51 80.187 42.184 -2.046 1.00 0.00 O ATOM 0 H GLU A 51 78.345 42.321 -7.001 1.00 0.00 H new ATOM 0 HA GLU A 51 80.666 40.734 -6.643 1.00 0.00 H new ATOM 0 HB2 GLU A 51 78.539 41.962 -5.040 1.00 0.00 H new ATOM 0 HB3 GLU A 51 78.998 40.392 -4.412 1.00 0.00 H new ATOM 0 HG2 GLU A 51 81.460 41.538 -4.915 1.00 0.00 H new ATOM 0 HG3 GLU A 51 80.505 42.931 -4.446 1.00 0.00 H new ATOM 779 N TRP A 52 77.859 39.167 -7.101 1.00 0.00 N ATOM 780 CA TRP A 52 77.251 37.855 -7.295 1.00 0.00 C ATOM 781 C TRP A 52 77.910 37.115 -8.453 1.00 0.00 C ATOM 782 O TRP A 52 78.476 36.038 -8.272 1.00 0.00 O ATOM 783 CB TRP A 52 75.750 37.999 -7.553 1.00 0.00 C ATOM 784 CG TRP A 52 75.026 36.687 -7.595 1.00 0.00 C ATOM 785 CD1 TRP A 52 74.554 35.977 -6.528 1.00 0.00 C ATOM 786 CD2 TRP A 52 74.694 35.928 -8.763 1.00 0.00 C ATOM 787 NE1 TRP A 52 73.949 34.823 -6.962 1.00 0.00 N ATOM 788 CE2 TRP A 52 74.020 34.770 -8.329 1.00 0.00 C ATOM 789 CE3 TRP A 52 74.898 36.116 -10.132 1.00 0.00 C ATOM 790 CZ2 TRP A 52 73.552 33.805 -9.217 1.00 0.00 C ATOM 791 CZ3 TRP A 52 74.433 35.157 -11.012 1.00 0.00 C ATOM 792 CH2 TRP A 52 73.766 34.014 -10.553 1.00 0.00 C ATOM 0 H TRP A 52 77.270 39.951 -7.382 1.00 0.00 H new ATOM 0 HA TRP A 52 77.402 37.274 -6.385 1.00 0.00 H new ATOM 0 HB2 TRP A 52 75.313 38.622 -6.773 1.00 0.00 H new ATOM 0 HB3 TRP A 52 75.599 38.519 -8.499 1.00 0.00 H new ATOM 0 HD1 TRP A 52 74.643 36.279 -5.495 1.00 0.00 H new ATOM 0 HE1 TRP A 52 73.517 34.119 -6.363 1.00 0.00 H new ATOM 0 HE3 TRP A 52 75.410 36.995 -10.496 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 73.038 32.923 -8.864 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 74.587 35.291 -12.073 1.00 0.00 H new ATOM 0 HH2 TRP A 52 73.414 33.284 -11.267 1.00 0.00 H new ATOM 803 N ALA A 53 77.833 37.700 -9.644 1.00 0.00 N ATOM 804 CA ALA A 53 78.425 37.097 -10.832 1.00 0.00 C ATOM 805 C ALA A 53 79.886 36.731 -10.592 1.00 0.00 C ATOM 806 O ALA A 53 80.301 35.599 -10.842 1.00 0.00 O ATOM 807 CB ALA A 53 78.303 38.040 -12.019 1.00 0.00 C ATOM 0 H ALA A 53 77.366 38.591 -9.812 1.00 0.00 H new ATOM 0 HA ALA A 53 77.880 36.180 -11.054 1.00 0.00 H new ATOM 0 HB1 ALA A 53 78.749 37.577 -12.899 1.00 0.00 H new ATOM 0 HB2 ALA A 53 77.251 38.247 -12.212 1.00 0.00 H new ATOM 0 HB3 ALA A 53 78.822 38.973 -11.798 1.00 0.00 H new ATOM 813 N ILE A 54 80.660 37.696 -10.107 1.00 0.00 N ATOM 814 CA ILE A 54 82.074 37.474 -9.833 1.00 0.00 C ATOM 815 C ILE A 54 82.271 36.324 -8.852 1.00 0.00 C ATOM 816 O ILE A 54 83.319 35.678 -8.837 1.00 0.00 O ATOM 817 CB ILE A 54 82.743 38.740 -9.264 1.00 0.00 C ATOM 818 CG1 ILE A 54 82.591 39.907 -10.241 1.00 0.00 C ATOM 819 CG2 ILE A 54 84.212 38.476 -8.969 1.00 0.00 C ATOM 820 CD1 ILE A 54 82.870 41.257 -9.618 1.00 0.00 C ATOM 0 H ILE A 54 80.332 38.638 -9.896 1.00 0.00 H new ATOM 0 HA ILE A 54 82.543 37.221 -10.784 1.00 0.00 H new ATOM 0 HB ILE A 54 82.248 39.006 -8.330 1.00 0.00 H new ATOM 0 HG12 ILE A 54 83.268 39.757 -11.082 1.00 0.00 H new ATOM 0 HG13 ILE A 54 81.578 39.904 -10.643 1.00 0.00 H new ATOM 0 HG21 ILE A 54 84.671 39.380 -8.568 1.00 0.00 H new ATOM 0 HG22 ILE A 54 84.298 37.671 -8.239 1.00 0.00 H new ATOM 0 HG23 ILE A 54 84.722 38.188 -9.888 1.00 0.00 H new ATOM 0 HD11 ILE A 54 82.743 42.037 -10.368 1.00 0.00 H new ATOM 0 HD12 ILE A 54 82.176 41.429 -8.795 1.00 0.00 H new ATOM 0 HD13 ILE A 54 83.892 41.279 -9.241 1.00 0.00 H new ATOM 832 N LYS A 55 81.255 36.072 -8.033 1.00 0.00 N ATOM 833 CA LYS A 55 81.313 34.997 -7.050 1.00 0.00 C ATOM 834 C LYS A 55 80.929 33.662 -7.679 1.00 0.00 C ATOM 835 O LYS A 55 81.748 32.748 -7.766 1.00 0.00 O ATOM 836 CB LYS A 55 80.384 35.304 -5.873 1.00 0.00 C ATOM 837 CG LYS A 55 81.109 35.834 -4.648 1.00 0.00 C ATOM 838 CD LYS A 55 81.361 34.734 -3.630 1.00 0.00 C ATOM 839 CE LYS A 55 82.808 34.266 -3.663 1.00 0.00 C ATOM 840 NZ LYS A 55 83.156 33.455 -2.463 1.00 0.00 N ATOM 0 H LYS A 55 80.381 36.598 -8.031 1.00 0.00 H new ATOM 0 HA LYS A 55 82.338 34.926 -6.687 1.00 0.00 H new ATOM 0 HB2 LYS A 55 79.640 36.035 -6.189 1.00 0.00 H new ATOM 0 HB3 LYS A 55 79.844 34.397 -5.601 1.00 0.00 H new ATOM 0 HG2 LYS A 55 82.058 36.277 -4.949 1.00 0.00 H new ATOM 0 HG3 LYS A 55 80.519 36.627 -4.189 1.00 0.00 H new ATOM 0 HD2 LYS A 55 81.118 35.098 -2.632 1.00 0.00 H new ATOM 0 HD3 LYS A 55 80.700 33.891 -3.832 1.00 0.00 H new ATOM 0 HE2 LYS A 55 82.978 33.675 -4.563 1.00 0.00 H new ATOM 0 HE3 LYS A 55 83.468 35.131 -3.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 84.150 33.155 -2.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 83.018 34.027 -1.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 82.543 32.616 -2.422 1.00 0.00 H new ATOM 854 N GLU A 56 79.678 33.558 -8.119 1.00 0.00 N ATOM 855 CA GLU A 56 79.187 32.334 -8.741 1.00 0.00 C ATOM 856 C GLU A 56 80.110 31.891 -9.873 1.00 0.00 C ATOM 857 O GLU A 56 80.719 30.823 -9.810 1.00 0.00 O ATOM 858 CB GLU A 56 77.769 32.541 -9.277 1.00 0.00 C ATOM 859 CG GLU A 56 76.862 31.338 -9.081 1.00 0.00 C ATOM 860 CD GLU A 56 76.784 30.896 -7.632 1.00 0.00 C ATOM 861 OE1 GLU A 56 76.287 31.683 -6.799 1.00 0.00 O ATOM 862 OE2 GLU A 56 77.220 29.765 -7.332 1.00 0.00 O ATOM 0 H GLU A 56 78.987 34.306 -8.056 1.00 0.00 H new ATOM 0 HA GLU A 56 79.170 31.553 -7.981 1.00 0.00 H new ATOM 0 HB2 GLU A 56 77.325 33.405 -8.782 1.00 0.00 H new ATOM 0 HB3 GLU A 56 77.822 32.776 -10.340 1.00 0.00 H new ATOM 0 HG2 GLU A 56 75.861 31.581 -9.437 1.00 0.00 H new ATOM 0 HG3 GLU A 56 77.225 30.511 -9.690 1.00 0.00 H new ATOM 869 N TYR A 57 80.208 32.720 -10.907 1.00 0.00 N ATOM 870 CA TYR A 57 81.054 32.413 -12.054 1.00 0.00 C ATOM 871 C TYR A 57 82.519 32.314 -11.640 1.00 0.00 C ATOM 872 O TYR A 57 83.312 31.625 -12.281 1.00 0.00 O ATOM 873 CB TYR A 57 80.890 33.483 -13.136 1.00 0.00 C ATOM 874 CG TYR A 57 79.519 33.493 -13.773 1.00 0.00 C ATOM 875 CD1 TYR A 57 78.464 34.181 -13.187 1.00 0.00 C ATOM 876 CD2 TYR A 57 79.279 32.815 -14.962 1.00 0.00 C ATOM 877 CE1 TYR A 57 77.209 34.193 -13.766 1.00 0.00 C ATOM 878 CE2 TYR A 57 78.028 32.822 -15.548 1.00 0.00 C ATOM 879 CZ TYR A 57 76.996 33.512 -14.946 1.00 0.00 C ATOM 880 OH TYR A 57 75.749 33.522 -15.527 1.00 0.00 O ATOM 0 H TYR A 57 79.712 33.609 -10.974 1.00 0.00 H new ATOM 0 HA TYR A 57 80.742 31.448 -12.455 1.00 0.00 H new ATOM 0 HB2 TYR A 57 81.086 34.462 -12.700 1.00 0.00 H new ATOM 0 HB3 TYR A 57 81.640 33.323 -13.910 1.00 0.00 H new ATOM 0 HD1 TYR A 57 78.627 34.716 -12.263 1.00 0.00 H new ATOM 0 HD2 TYR A 57 80.084 32.273 -15.436 1.00 0.00 H new ATOM 0 HE1 TYR A 57 76.400 34.733 -13.297 1.00 0.00 H new ATOM 0 HE2 TYR A 57 77.859 32.290 -16.473 1.00 0.00 H new ATOM 0 HH TYR A 57 75.769 32.995 -16.353 1.00 0.00 H new ATOM 890 N SER A 58 82.871 33.008 -10.562 1.00 0.00 N ATOM 891 CA SER A 58 84.241 33.002 -10.062 1.00 0.00 C ATOM 892 C SER A 58 85.196 33.603 -11.089 1.00 0.00 C ATOM 893 O SER A 58 86.090 32.924 -11.596 1.00 0.00 O ATOM 894 CB SER A 58 84.675 31.576 -9.719 1.00 0.00 C ATOM 895 OG SER A 58 85.706 31.577 -8.748 1.00 0.00 O ATOM 0 H SER A 58 82.226 33.582 -10.018 1.00 0.00 H new ATOM 0 HA SER A 58 84.275 33.611 -9.159 1.00 0.00 H new ATOM 0 HB2 SER A 58 83.820 31.012 -9.346 1.00 0.00 H new ATOM 0 HB3 SER A 58 85.021 31.071 -10.621 1.00 0.00 H new ATOM 0 HG SER A 58 85.965 30.654 -8.545 1.00 0.00 H new ATOM 901 N LEU A 59 85.001 34.882 -11.391 1.00 0.00 N ATOM 902 CA LEU A 59 85.845 35.577 -12.358 1.00 0.00 C ATOM 903 C LEU A 59 87.090 36.145 -11.685 1.00 0.00 C ATOM 904 O LEU A 59 87.374 35.842 -10.526 1.00 0.00 O ATOM 905 CB LEU A 59 85.059 36.702 -13.034 1.00 0.00 C ATOM 906 CG LEU A 59 83.615 36.375 -13.418 1.00 0.00 C ATOM 907 CD1 LEU A 59 82.871 37.639 -13.821 1.00 0.00 C ATOM 908 CD2 LEU A 59 83.581 35.352 -14.544 1.00 0.00 C ATOM 0 H LEU A 59 84.267 35.459 -10.981 1.00 0.00 H new ATOM 0 HA LEU A 59 86.159 34.856 -13.113 1.00 0.00 H new ATOM 0 HB2 LEU A 59 85.050 37.564 -12.367 1.00 0.00 H new ATOM 0 HB3 LEU A 59 85.594 37.002 -13.935 1.00 0.00 H new ATOM 0 HG LEU A 59 83.116 35.946 -12.549 1.00 0.00 H new ATOM 0 HD11 LEU A 59 81.845 37.387 -14.091 1.00 0.00 H new ATOM 0 HD12 LEU A 59 82.865 38.339 -12.986 1.00 0.00 H new ATOM 0 HD13 LEU A 59 83.369 38.097 -14.675 1.00 0.00 H new ATOM 0 HD21 LEU A 59 82.546 35.131 -14.804 1.00 0.00 H new ATOM 0 HD22 LEU A 59 84.097 35.754 -15.416 1.00 0.00 H new ATOM 0 HD23 LEU A 59 84.076 34.437 -14.219 1.00 0.00 H new ATOM 920 N MET A 60 87.829 36.971 -12.418 1.00 0.00 N ATOM 921 CA MET A 60 89.042 37.584 -11.891 1.00 0.00 C ATOM 922 C MET A 60 89.363 38.878 -12.630 1.00 0.00 C ATOM 923 O MET A 60 89.198 38.965 -13.847 1.00 0.00 O ATOM 924 CB MET A 60 90.219 36.613 -12.002 1.00 0.00 C ATOM 925 CG MET A 60 90.496 36.154 -13.425 1.00 0.00 C ATOM 926 SD MET A 60 92.107 35.363 -13.599 1.00 0.00 S ATOM 927 CE MET A 60 91.620 33.696 -14.038 1.00 0.00 C ATOM 0 H MET A 60 87.609 37.231 -13.379 1.00 0.00 H new ATOM 0 HA MET A 60 88.873 37.820 -10.840 1.00 0.00 H new ATOM 0 HB2 MET A 60 91.113 37.092 -11.603 1.00 0.00 H new ATOM 0 HB3 MET A 60 90.020 35.741 -11.380 1.00 0.00 H new ATOM 0 HG2 MET A 60 89.718 35.457 -13.736 1.00 0.00 H new ATOM 0 HG3 MET A 60 90.442 37.011 -14.096 1.00 0.00 H new ATOM 0 HE1 MET A 60 92.510 33.082 -14.180 1.00 0.00 H new ATOM 0 HE2 MET A 60 91.011 33.273 -13.239 1.00 0.00 H new ATOM 0 HE3 MET A 60 91.043 33.717 -14.962 1.00 0.00 H new ATOM 937 N GLU A 61 89.822 39.881 -11.888 1.00 0.00 N ATOM 938 CA GLU A 61 90.164 41.171 -12.475 1.00 0.00 C ATOM 939 C GLU A 61 88.959 41.785 -13.180 1.00 0.00 C ATOM 940 O GLU A 61 88.684 41.480 -14.341 1.00 0.00 O ATOM 941 CB GLU A 61 91.322 41.015 -13.463 1.00 0.00 C ATOM 942 CG GLU A 61 92.586 40.450 -12.836 1.00 0.00 C ATOM 943 CD GLU A 61 93.684 40.209 -13.853 1.00 0.00 C ATOM 944 OE1 GLU A 61 93.685 40.893 -14.898 1.00 0.00 O ATOM 945 OE2 GLU A 61 94.542 39.336 -13.605 1.00 0.00 O ATOM 0 H GLU A 61 89.965 39.825 -10.880 1.00 0.00 H new ATOM 0 HA GLU A 61 90.470 41.838 -11.669 1.00 0.00 H new ATOM 0 HB2 GLU A 61 91.008 40.363 -14.278 1.00 0.00 H new ATOM 0 HB3 GLU A 61 91.547 41.987 -13.902 1.00 0.00 H new ATOM 0 HG2 GLU A 61 92.948 41.139 -12.073 1.00 0.00 H new ATOM 0 HG3 GLU A 61 92.350 39.512 -12.333 1.00 0.00 H new ATOM 952 N ILE A 62 88.243 42.651 -12.470 1.00 0.00 N ATOM 953 CA ILE A 62 87.068 43.309 -13.028 1.00 0.00 C ATOM 954 C ILE A 62 86.806 44.643 -12.338 1.00 0.00 C ATOM 955 O ILE A 62 87.002 44.779 -11.131 1.00 0.00 O ATOM 956 CB ILE A 62 85.814 42.423 -12.901 1.00 0.00 C ATOM 957 CG1 ILE A 62 84.649 43.036 -13.680 1.00 0.00 C ATOM 958 CG2 ILE A 62 85.442 42.239 -11.438 1.00 0.00 C ATOM 959 CD1 ILE A 62 83.635 42.018 -14.152 1.00 0.00 C ATOM 0 H ILE A 62 88.456 42.913 -11.508 1.00 0.00 H new ATOM 0 HA ILE A 62 87.275 43.483 -14.084 1.00 0.00 H new ATOM 0 HB ILE A 62 86.034 41.443 -13.325 1.00 0.00 H new ATOM 0 HG12 ILE A 62 84.148 43.771 -13.050 1.00 0.00 H new ATOM 0 HG13 ILE A 62 85.042 43.572 -14.544 1.00 0.00 H new ATOM 0 HG21 ILE A 62 84.554 41.611 -11.365 1.00 0.00 H new ATOM 0 HG22 ILE A 62 86.268 41.763 -10.910 1.00 0.00 H new ATOM 0 HG23 ILE A 62 85.237 43.211 -10.990 1.00 0.00 H new ATOM 0 HD11 ILE A 62 82.838 42.524 -14.697 1.00 0.00 H new ATOM 0 HD12 ILE A 62 84.122 41.297 -14.809 1.00 0.00 H new ATOM 0 HD13 ILE A 62 83.213 41.498 -13.292 1.00 0.00 H new ATOM 971 N ASP A 63 86.359 45.626 -13.113 1.00 0.00 N ATOM 972 CA ASP A 63 86.067 46.950 -12.577 1.00 0.00 C ATOM 973 C ASP A 63 84.832 46.913 -11.682 1.00 0.00 C ATOM 974 O ASP A 63 83.868 46.199 -11.964 1.00 0.00 O ATOM 975 CB ASP A 63 85.857 47.949 -13.716 1.00 0.00 C ATOM 976 CG ASP A 63 87.032 48.892 -13.883 1.00 0.00 C ATOM 977 OD1 ASP A 63 88.184 48.408 -13.891 1.00 0.00 O ATOM 978 OD2 ASP A 63 86.801 50.113 -14.005 1.00 0.00 O ATOM 0 H ASP A 63 86.191 45.530 -14.115 1.00 0.00 H new ATOM 0 HA ASP A 63 86.919 47.269 -11.977 1.00 0.00 H new ATOM 0 HB2 ASP A 63 85.696 47.405 -14.647 1.00 0.00 H new ATOM 0 HB3 ASP A 63 84.954 48.529 -13.525 1.00 0.00 H new ATOM 983 N THR A 64 84.867 47.686 -10.601 1.00 0.00 N ATOM 984 CA THR A 64 83.753 47.740 -9.663 1.00 0.00 C ATOM 985 C THR A 64 83.163 49.144 -9.591 1.00 0.00 C ATOM 986 O THR A 64 81.975 49.315 -9.318 1.00 0.00 O ATOM 987 CB THR A 64 84.186 47.303 -8.251 1.00 0.00 C ATOM 988 OG1 THR A 64 85.565 47.625 -8.040 1.00 0.00 O ATOM 989 CG2 THR A 64 83.972 45.810 -8.057 1.00 0.00 C ATOM 0 H THR A 64 85.656 48.284 -10.354 1.00 0.00 H new ATOM 0 HA THR A 64 82.995 47.049 -10.032 1.00 0.00 H new ATOM 0 HB THR A 64 83.574 47.838 -7.525 1.00 0.00 H new ATOM 0 HG1 THR A 64 85.832 47.346 -7.139 1.00 0.00 H new ATOM 0 HG21 THR A 64 84.285 45.525 -7.053 1.00 0.00 H new ATOM 0 HG22 THR A 64 82.916 45.574 -8.189 1.00 0.00 H new ATOM 0 HG23 THR A 64 84.561 45.260 -8.790 1.00 0.00 H new ATOM 997 N SER A 65 84.001 50.146 -9.837 1.00 0.00 N ATOM 998 CA SER A 65 83.562 51.536 -9.796 1.00 0.00 C ATOM 999 C SER A 65 82.637 51.848 -10.968 1.00 0.00 C ATOM 1000 O SER A 65 81.795 52.743 -10.888 1.00 0.00 O ATOM 1001 CB SER A 65 84.770 52.475 -9.820 1.00 0.00 C ATOM 1002 OG SER A 65 85.959 51.784 -9.478 1.00 0.00 O ATOM 0 H SER A 65 84.987 50.021 -10.067 1.00 0.00 H new ATOM 0 HA SER A 65 83.010 51.690 -8.869 1.00 0.00 H new ATOM 0 HB2 SER A 65 84.873 52.914 -10.812 1.00 0.00 H new ATOM 0 HB3 SER A 65 84.610 53.297 -9.122 1.00 0.00 H new ATOM 0 HG SER A 65 86.717 52.405 -9.502 1.00 0.00 H new ATOM 1008 N PHE A 66 82.801 51.104 -12.057 1.00 0.00 N ATOM 1009 CA PHE A 66 81.982 51.302 -13.248 1.00 0.00 C ATOM 1010 C PHE A 66 80.511 51.033 -12.947 1.00 0.00 C ATOM 1011 O PHE A 66 79.622 51.593 -13.589 1.00 0.00 O ATOM 1012 CB PHE A 66 82.459 50.386 -14.378 1.00 0.00 C ATOM 1013 CG PHE A 66 82.478 51.055 -15.723 1.00 0.00 C ATOM 1014 CD1 PHE A 66 83.575 51.799 -16.125 1.00 0.00 C ATOM 1015 CD2 PHE A 66 81.399 50.938 -16.584 1.00 0.00 C ATOM 1016 CE1 PHE A 66 83.595 52.416 -17.362 1.00 0.00 C ATOM 1017 CE2 PHE A 66 81.414 51.552 -17.823 1.00 0.00 C ATOM 1018 CZ PHE A 66 82.513 52.291 -18.212 1.00 0.00 C ATOM 0 H PHE A 66 83.493 50.359 -12.140 1.00 0.00 H new ATOM 0 HA PHE A 66 82.086 52.340 -13.562 1.00 0.00 H new ATOM 0 HB2 PHE A 66 83.461 50.027 -14.145 1.00 0.00 H new ATOM 0 HB3 PHE A 66 81.810 49.512 -14.425 1.00 0.00 H new ATOM 0 HD1 PHE A 66 84.424 51.898 -15.465 1.00 0.00 H new ATOM 0 HD2 PHE A 66 80.537 50.361 -16.284 1.00 0.00 H new ATOM 0 HE1 PHE A 66 84.455 52.995 -17.664 1.00 0.00 H new ATOM 0 HE2 PHE A 66 80.567 51.453 -18.486 1.00 0.00 H new ATOM 0 HZ PHE A 66 82.527 52.771 -19.179 1.00 0.00 H new ATOM 1028 N PHE A 67 80.261 50.171 -11.966 1.00 0.00 N ATOM 1029 CA PHE A 67 78.898 49.826 -11.580 1.00 0.00 C ATOM 1030 C PHE A 67 78.526 50.481 -10.253 1.00 0.00 C ATOM 1031 O PHE A 67 77.686 49.972 -9.512 1.00 0.00 O ATOM 1032 CB PHE A 67 78.745 48.307 -11.472 1.00 0.00 C ATOM 1033 CG PHE A 67 79.330 47.562 -12.637 1.00 0.00 C ATOM 1034 CD1 PHE A 67 80.673 47.221 -12.655 1.00 0.00 C ATOM 1035 CD2 PHE A 67 78.537 47.201 -13.714 1.00 0.00 C ATOM 1036 CE1 PHE A 67 81.214 46.536 -13.727 1.00 0.00 C ATOM 1037 CE2 PHE A 67 79.072 46.515 -14.788 1.00 0.00 C ATOM 1038 CZ PHE A 67 80.412 46.181 -14.794 1.00 0.00 C ATOM 0 H PHE A 67 80.985 49.699 -11.424 1.00 0.00 H new ATOM 0 HA PHE A 67 78.223 50.199 -12.351 1.00 0.00 H new ATOM 0 HB2 PHE A 67 79.225 47.966 -10.555 1.00 0.00 H new ATOM 0 HB3 PHE A 67 77.686 48.061 -11.388 1.00 0.00 H new ATOM 0 HD1 PHE A 67 81.304 47.493 -11.822 1.00 0.00 H new ATOM 0 HD2 PHE A 67 77.488 47.459 -13.714 1.00 0.00 H new ATOM 0 HE1 PHE A 67 82.263 46.279 -13.730 1.00 0.00 H new ATOM 0 HE2 PHE A 67 78.443 46.240 -15.622 1.00 0.00 H new ATOM 0 HZ PHE A 67 80.832 45.643 -15.631 1.00 0.00 H new ATOM 1048 N GLN A 68 79.159 51.613 -9.961 1.00 0.00 N ATOM 1049 CA GLN A 68 78.896 52.338 -8.724 1.00 0.00 C ATOM 1050 C GLN A 68 77.430 52.752 -8.636 1.00 0.00 C ATOM 1051 O GLN A 68 76.660 52.184 -7.863 1.00 0.00 O ATOM 1052 CB GLN A 68 79.793 53.573 -8.630 1.00 0.00 C ATOM 1053 CG GLN A 68 81.081 53.332 -7.859 1.00 0.00 C ATOM 1054 CD GLN A 68 81.113 54.067 -6.533 1.00 0.00 C ATOM 1055 OE1 GLN A 68 81.802 55.077 -6.387 1.00 0.00 O ATOM 1056 NE2 GLN A 68 80.366 53.562 -5.558 1.00 0.00 N ATOM 0 H GLN A 68 79.857 52.047 -10.564 1.00 0.00 H new ATOM 0 HA GLN A 68 79.118 51.673 -7.890 1.00 0.00 H new ATOM 0 HB2 GLN A 68 80.040 53.910 -9.637 1.00 0.00 H new ATOM 0 HB3 GLN A 68 79.238 54.379 -8.151 1.00 0.00 H new ATOM 0 HG2 GLN A 68 81.199 52.263 -7.681 1.00 0.00 H new ATOM 0 HG3 GLN A 68 81.929 53.649 -8.467 1.00 0.00 H new ATOM 0 HE21 GLN A 68 79.810 52.723 -5.724 1.00 0.00 H new ATOM 0 HE22 GLN A 68 80.348 54.013 -4.644 1.00 0.00 H new ATOM 1065 N ASN A 69 77.052 53.745 -9.434 1.00 0.00 N ATOM 1066 CA ASN A 69 75.679 54.235 -9.446 1.00 0.00 C ATOM 1067 C ASN A 69 75.100 54.197 -10.857 1.00 0.00 C ATOM 1068 O ASN A 69 74.360 55.094 -11.260 1.00 0.00 O ATOM 1069 CB ASN A 69 75.620 55.662 -8.897 1.00 0.00 C ATOM 1070 CG ASN A 69 75.751 55.707 -7.387 1.00 0.00 C ATOM 1071 OD1 ASN A 69 75.988 54.684 -6.743 1.00 0.00 O ATOM 1072 ND2 ASN A 69 75.597 56.895 -6.815 1.00 0.00 N ATOM 0 H ASN A 69 77.677 54.226 -10.081 1.00 0.00 H new ATOM 0 HA ASN A 69 75.081 53.583 -8.809 1.00 0.00 H new ATOM 0 HB2 ASN A 69 76.417 56.254 -9.346 1.00 0.00 H new ATOM 0 HB3 ASN A 69 74.677 56.123 -9.191 1.00 0.00 H new ATOM 0 HD21 ASN A 69 75.674 56.987 -5.802 1.00 0.00 H new ATOM 0 HD22 ASN A 69 75.402 57.716 -7.388 1.00 0.00 H new ATOM 1079 N MET A 70 75.441 53.151 -11.603 1.00 0.00 N ATOM 1080 CA MET A 70 74.954 52.995 -12.968 1.00 0.00 C ATOM 1081 C MET A 70 73.475 52.620 -12.978 1.00 0.00 C ATOM 1082 O MET A 70 73.036 51.767 -12.207 1.00 0.00 O ATOM 1083 CB MET A 70 75.767 51.928 -13.704 1.00 0.00 C ATOM 1084 CG MET A 70 75.305 51.690 -15.133 1.00 0.00 C ATOM 1085 SD MET A 70 76.558 52.137 -16.351 1.00 0.00 S ATOM 1086 CE MET A 70 77.509 50.622 -16.429 1.00 0.00 C ATOM 0 H MET A 70 76.053 52.399 -11.285 1.00 0.00 H new ATOM 0 HA MET A 70 75.073 53.950 -13.481 1.00 0.00 H new ATOM 0 HB2 MET A 70 76.816 52.225 -13.715 1.00 0.00 H new ATOM 0 HB3 MET A 70 75.707 50.991 -13.150 1.00 0.00 H new ATOM 0 HG2 MET A 70 75.043 50.639 -15.256 1.00 0.00 H new ATOM 0 HG3 MET A 70 74.400 52.268 -15.319 1.00 0.00 H new ATOM 0 HE1 MET A 70 78.412 50.789 -17.016 1.00 0.00 H new ATOM 0 HE2 MET A 70 77.784 50.313 -15.421 1.00 0.00 H new ATOM 0 HE3 MET A 70 76.911 49.841 -16.898 1.00 0.00 H new ATOM 1096 N ASP A 71 72.712 53.263 -13.855 1.00 0.00 N ATOM 1097 CA ASP A 71 71.283 52.997 -13.965 1.00 0.00 C ATOM 1098 C ASP A 71 71.032 51.583 -14.480 1.00 0.00 C ATOM 1099 O ASP A 71 71.702 51.118 -15.401 1.00 0.00 O ATOM 1100 CB ASP A 71 70.622 54.016 -14.895 1.00 0.00 C ATOM 1101 CG ASP A 71 71.146 55.422 -14.678 1.00 0.00 C ATOM 1102 OD1 ASP A 71 71.153 55.880 -13.516 1.00 0.00 O ATOM 1103 OD2 ASP A 71 71.549 56.064 -15.670 1.00 0.00 O ATOM 0 H ASP A 71 73.060 53.972 -14.500 1.00 0.00 H new ATOM 0 HA ASP A 71 70.845 53.086 -12.971 1.00 0.00 H new ATOM 0 HB2 ASP A 71 70.794 53.723 -15.931 1.00 0.00 H new ATOM 0 HB3 ASP A 71 69.544 54.004 -14.735 1.00 0.00 H new ATOM 1108 N GLY A 72 70.062 50.902 -13.876 1.00 0.00 N ATOM 1109 CA GLY A 72 69.740 49.547 -14.286 1.00 0.00 C ATOM 1110 C GLY A 72 69.479 49.439 -15.775 1.00 0.00 C ATOM 1111 O GLY A 72 69.942 48.503 -16.428 1.00 0.00 O ATOM 0 H GLY A 72 69.494 51.264 -13.110 1.00 0.00 H new ATOM 0 HA2 GLY A 72 70.561 48.884 -14.015 1.00 0.00 H new ATOM 0 HA3 GLY A 72 68.861 49.205 -13.740 1.00 0.00 H new ATOM 1115 N LYS A 73 68.735 50.397 -16.315 1.00 0.00 N ATOM 1116 CA LYS A 73 68.412 50.406 -17.737 1.00 0.00 C ATOM 1117 C LYS A 73 69.675 50.546 -18.581 1.00 0.00 C ATOM 1118 O LYS A 73 69.719 50.096 -19.726 1.00 0.00 O ATOM 1119 CB LYS A 73 67.445 51.550 -18.054 1.00 0.00 C ATOM 1120 CG LYS A 73 66.008 51.096 -18.244 1.00 0.00 C ATOM 1121 CD LYS A 73 65.247 52.028 -19.172 1.00 0.00 C ATOM 1122 CE LYS A 73 63.752 51.750 -19.138 1.00 0.00 C ATOM 1123 NZ LYS A 73 63.050 52.347 -20.307 1.00 0.00 N ATOM 0 H LYS A 73 68.344 51.178 -15.789 1.00 0.00 H new ATOM 0 HA LYS A 73 67.936 49.457 -17.982 1.00 0.00 H new ATOM 0 HB2 LYS A 73 67.483 52.281 -17.246 1.00 0.00 H new ATOM 0 HB3 LYS A 73 67.780 52.057 -18.959 1.00 0.00 H new ATOM 0 HG2 LYS A 73 65.996 50.085 -18.652 1.00 0.00 H new ATOM 0 HG3 LYS A 73 65.507 51.056 -17.277 1.00 0.00 H new ATOM 0 HD2 LYS A 73 65.432 53.062 -18.883 1.00 0.00 H new ATOM 0 HD3 LYS A 73 65.617 51.911 -20.191 1.00 0.00 H new ATOM 0 HE2 LYS A 73 63.583 50.673 -19.124 1.00 0.00 H new ATOM 0 HE3 LYS A 73 63.329 52.151 -18.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 62.034 52.135 -20.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 63.190 53.378 -20.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 63.436 51.946 -21.186 1.00 0.00 H new ATOM 1137 N GLU A 74 70.699 51.170 -18.007 1.00 0.00 N ATOM 1138 CA GLU A 74 71.962 51.367 -18.708 1.00 0.00 C ATOM 1139 C GLU A 74 72.677 50.037 -18.926 1.00 0.00 C ATOM 1140 O GLU A 74 73.291 49.812 -19.970 1.00 0.00 O ATOM 1141 CB GLU A 74 72.864 52.321 -17.922 1.00 0.00 C ATOM 1142 CG GLU A 74 73.276 53.555 -18.706 1.00 0.00 C ATOM 1143 CD GLU A 74 74.334 54.373 -17.992 1.00 0.00 C ATOM 1144 OE1 GLU A 74 74.156 54.652 -16.788 1.00 0.00 O ATOM 1145 OE2 GLU A 74 75.341 54.735 -18.637 1.00 0.00 O ATOM 0 H GLU A 74 70.679 51.547 -17.060 1.00 0.00 H new ATOM 0 HA GLU A 74 71.743 51.805 -19.682 1.00 0.00 H new ATOM 0 HB2 GLU A 74 72.345 52.633 -17.016 1.00 0.00 H new ATOM 0 HB3 GLU A 74 73.760 51.785 -17.608 1.00 0.00 H new ATOM 0 HG2 GLU A 74 73.654 53.251 -19.682 1.00 0.00 H new ATOM 0 HG3 GLU A 74 72.399 54.178 -18.884 1.00 0.00 H new ATOM 1152 N LEU A 75 72.593 49.158 -17.933 1.00 0.00 N ATOM 1153 CA LEU A 75 73.232 47.849 -18.014 1.00 0.00 C ATOM 1154 C LEU A 75 72.838 47.129 -19.300 1.00 0.00 C ATOM 1155 O LEU A 75 73.637 46.395 -19.882 1.00 0.00 O ATOM 1156 CB LEU A 75 72.850 46.997 -16.802 1.00 0.00 C ATOM 1157 CG LEU A 75 73.971 46.711 -15.803 1.00 0.00 C ATOM 1158 CD1 LEU A 75 74.550 48.010 -15.263 1.00 0.00 C ATOM 1159 CD2 LEU A 75 73.462 45.838 -14.665 1.00 0.00 C ATOM 0 H LEU A 75 72.089 49.328 -17.063 1.00 0.00 H new ATOM 0 HA LEU A 75 74.312 47.999 -18.019 1.00 0.00 H new ATOM 0 HB2 LEU A 75 72.038 47.496 -16.273 1.00 0.00 H new ATOM 0 HB3 LEU A 75 72.459 46.045 -17.161 1.00 0.00 H new ATOM 0 HG LEU A 75 74.764 46.172 -16.321 1.00 0.00 H new ATOM 0 HD11 LEU A 75 75.347 47.786 -14.553 1.00 0.00 H new ATOM 0 HD12 LEU A 75 74.953 48.599 -16.087 1.00 0.00 H new ATOM 0 HD13 LEU A 75 73.766 48.577 -14.761 1.00 0.00 H new ATOM 0 HD21 LEU A 75 74.274 45.645 -13.964 1.00 0.00 H new ATOM 0 HD22 LEU A 75 72.650 46.350 -14.148 1.00 0.00 H new ATOM 0 HD23 LEU A 75 73.097 44.893 -15.067 1.00 0.00 H new ATOM 1171 N CYS A 76 71.603 47.346 -19.738 1.00 0.00 N ATOM 1172 CA CYS A 76 71.103 46.719 -20.957 1.00 0.00 C ATOM 1173 C CYS A 76 71.689 47.392 -22.194 1.00 0.00 C ATOM 1174 O CYS A 76 72.229 46.728 -23.079 1.00 0.00 O ATOM 1175 CB CYS A 76 69.576 46.786 -21.000 1.00 0.00 C ATOM 1176 SG CYS A 76 68.754 45.320 -20.333 1.00 0.00 S ATOM 0 H CYS A 76 70.930 47.951 -19.268 1.00 0.00 H new ATOM 0 HA CYS A 76 71.413 45.674 -20.953 1.00 0.00 H new ATOM 0 HB2 CYS A 76 69.245 47.661 -20.440 1.00 0.00 H new ATOM 0 HB3 CYS A 76 69.258 46.929 -22.033 1.00 0.00 H new ATOM 0 HG CYS A 76 67.465 45.472 -20.411 1.00 0.00 H new ATOM 1182 N LYS A 77 71.576 48.715 -22.251 1.00 0.00 N ATOM 1183 CA LYS A 77 72.094 49.479 -23.380 1.00 0.00 C ATOM 1184 C LYS A 77 73.585 49.221 -23.574 1.00 0.00 C ATOM 1185 O LYS A 77 74.108 49.354 -24.680 1.00 0.00 O ATOM 1186 CB LYS A 77 71.848 50.975 -23.165 1.00 0.00 C ATOM 1187 CG LYS A 77 70.412 51.398 -23.419 1.00 0.00 C ATOM 1188 CD LYS A 77 70.085 52.708 -22.723 1.00 0.00 C ATOM 1189 CE LYS A 77 70.419 53.904 -23.601 1.00 0.00 C ATOM 1190 NZ LYS A 77 69.192 54.581 -24.107 1.00 0.00 N ATOM 0 H LYS A 77 71.130 49.280 -21.528 1.00 0.00 H new ATOM 0 HA LYS A 77 71.568 49.155 -24.278 1.00 0.00 H new ATOM 0 HB2 LYS A 77 72.119 51.236 -22.142 1.00 0.00 H new ATOM 0 HB3 LYS A 77 72.507 51.541 -23.824 1.00 0.00 H new ATOM 0 HG2 LYS A 77 70.247 51.504 -24.491 1.00 0.00 H new ATOM 0 HG3 LYS A 77 69.735 50.619 -23.068 1.00 0.00 H new ATOM 0 HD2 LYS A 77 69.026 52.729 -22.464 1.00 0.00 H new ATOM 0 HD3 LYS A 77 70.643 52.774 -21.789 1.00 0.00 H new ATOM 0 HE2 LYS A 77 71.018 54.616 -23.033 1.00 0.00 H new ATOM 0 HE3 LYS A 77 71.027 53.577 -24.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 69.462 55.391 -24.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 68.632 53.910 -24.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 68.624 54.916 -23.303 1.00 0.00 H new ATOM 1204 N MET A 78 74.262 48.850 -22.493 1.00 0.00 N ATOM 1205 CA MET A 78 75.692 48.571 -22.546 1.00 0.00 C ATOM 1206 C MET A 78 76.006 47.544 -23.630 1.00 0.00 C ATOM 1207 O MET A 78 75.446 46.448 -23.639 1.00 0.00 O ATOM 1208 CB MET A 78 76.186 48.064 -21.189 1.00 0.00 C ATOM 1209 CG MET A 78 76.182 49.130 -20.105 1.00 0.00 C ATOM 1210 SD MET A 78 77.831 49.772 -19.757 1.00 0.00 S ATOM 1211 CE MET A 78 78.674 48.279 -19.240 1.00 0.00 C ATOM 0 H MET A 78 73.844 48.736 -21.570 1.00 0.00 H new ATOM 0 HA MET A 78 76.209 49.500 -22.789 1.00 0.00 H new ATOM 0 HB2 MET A 78 75.559 47.231 -20.871 1.00 0.00 H new ATOM 0 HB3 MET A 78 77.198 47.676 -21.302 1.00 0.00 H new ATOM 0 HG2 MET A 78 75.534 49.951 -20.411 1.00 0.00 H new ATOM 0 HG3 MET A 78 75.759 48.712 -19.192 1.00 0.00 H new ATOM 0 HE1 MET A 78 79.467 48.534 -18.537 1.00 0.00 H new ATOM 0 HE2 MET A 78 77.963 47.608 -18.758 1.00 0.00 H new ATOM 0 HE3 MET A 78 79.106 47.785 -20.110 1.00 0.00 H new ATOM 1221 N ASN A 79 76.903 47.906 -24.541 1.00 0.00 N ATOM 1222 CA ASN A 79 77.289 47.016 -25.629 1.00 0.00 C ATOM 1223 C ASN A 79 78.540 46.222 -25.265 1.00 0.00 C ATOM 1224 O ASN A 79 78.990 46.242 -24.119 1.00 0.00 O ATOM 1225 CB ASN A 79 77.535 47.817 -26.909 1.00 0.00 C ATOM 1226 CG ASN A 79 76.422 48.807 -27.194 1.00 0.00 C ATOM 1227 OD1 ASN A 79 75.245 48.446 -27.211 1.00 0.00 O ATOM 1228 ND2 ASN A 79 76.790 50.063 -27.420 1.00 0.00 N ATOM 0 H ASN A 79 77.376 48.810 -24.547 1.00 0.00 H new ATOM 0 HA ASN A 79 76.472 46.315 -25.798 1.00 0.00 H new ATOM 0 HB2 ASN A 79 78.481 48.352 -26.823 1.00 0.00 H new ATOM 0 HB3 ASN A 79 77.632 47.131 -27.751 1.00 0.00 H new ATOM 0 HD21 ASN A 79 76.085 50.773 -27.618 1.00 0.00 H new ATOM 0 HD22 ASN A 79 77.777 50.317 -27.396 1.00 0.00 H new ATOM 1235 N LYS A 80 79.098 45.524 -26.248 1.00 0.00 N ATOM 1236 CA LYS A 80 80.299 44.724 -26.033 1.00 0.00 C ATOM 1237 C LYS A 80 81.466 45.603 -25.595 1.00 0.00 C ATOM 1238 O LYS A 80 82.019 45.419 -24.511 1.00 0.00 O ATOM 1239 CB LYS A 80 80.668 43.968 -27.312 1.00 0.00 C ATOM 1240 CG LYS A 80 81.827 43.002 -27.134 1.00 0.00 C ATOM 1241 CD LYS A 80 81.379 41.559 -27.288 1.00 0.00 C ATOM 1242 CE LYS A 80 80.368 41.172 -26.219 1.00 0.00 C ATOM 1243 NZ LYS A 80 79.117 40.622 -26.812 1.00 0.00 N ATOM 0 H LYS A 80 78.738 45.496 -27.202 1.00 0.00 H new ATOM 0 HA LYS A 80 80.091 44.005 -25.240 1.00 0.00 H new ATOM 0 HB2 LYS A 80 79.796 43.416 -27.662 1.00 0.00 H new ATOM 0 HB3 LYS A 80 80.922 44.688 -28.089 1.00 0.00 H new ATOM 0 HG2 LYS A 80 82.602 43.223 -27.868 1.00 0.00 H new ATOM 0 HG3 LYS A 80 82.271 43.143 -26.149 1.00 0.00 H new ATOM 0 HD2 LYS A 80 80.939 41.417 -28.275 1.00 0.00 H new ATOM 0 HD3 LYS A 80 82.245 40.900 -27.227 1.00 0.00 H new ATOM 0 HE2 LYS A 80 80.810 40.432 -25.552 1.00 0.00 H new ATOM 0 HE3 LYS A 80 80.129 42.045 -25.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 78.549 40.170 -26.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 78.570 41.393 -27.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 79.358 39.918 -27.539 1.00 0.00 H new ATOM 1257 N GLU A 81 81.835 46.557 -26.444 1.00 0.00 N ATOM 1258 CA GLU A 81 82.936 47.463 -26.142 1.00 0.00 C ATOM 1259 C GLU A 81 82.751 48.108 -24.771 1.00 0.00 C ATOM 1260 O GLU A 81 83.714 48.308 -24.032 1.00 0.00 O ATOM 1261 CB GLU A 81 83.043 48.547 -27.217 1.00 0.00 C ATOM 1262 CG GLU A 81 81.705 49.154 -27.605 1.00 0.00 C ATOM 1263 CD GLU A 81 81.847 50.524 -28.238 1.00 0.00 C ATOM 1264 OE1 GLU A 81 82.709 51.303 -27.778 1.00 0.00 O ATOM 1265 OE2 GLU A 81 81.098 50.819 -29.192 1.00 0.00 O ATOM 0 H GLU A 81 81.388 46.722 -27.346 1.00 0.00 H new ATOM 0 HA GLU A 81 83.858 46.881 -26.129 1.00 0.00 H new ATOM 0 HB2 GLU A 81 83.701 49.338 -26.859 1.00 0.00 H new ATOM 0 HB3 GLU A 81 83.510 48.121 -28.105 1.00 0.00 H new ATOM 0 HG2 GLU A 81 81.196 48.487 -28.301 1.00 0.00 H new ATOM 0 HG3 GLU A 81 81.075 49.231 -26.719 1.00 0.00 H new ATOM 1272 N ASP A 82 81.505 48.431 -24.440 1.00 0.00 N ATOM 1273 CA ASP A 82 81.192 49.052 -23.158 1.00 0.00 C ATOM 1274 C ASP A 82 81.681 48.186 -22.001 1.00 0.00 C ATOM 1275 O ASP A 82 82.059 48.697 -20.947 1.00 0.00 O ATOM 1276 CB ASP A 82 79.686 49.286 -23.036 1.00 0.00 C ATOM 1277 CG ASP A 82 79.180 50.326 -24.016 1.00 0.00 C ATOM 1278 OD1 ASP A 82 79.673 50.351 -25.163 1.00 0.00 O ATOM 1279 OD2 ASP A 82 78.290 51.116 -23.636 1.00 0.00 O ATOM 0 H ASP A 82 80.696 48.273 -25.041 1.00 0.00 H new ATOM 0 HA ASP A 82 81.706 50.012 -23.111 1.00 0.00 H new ATOM 0 HB2 ASP A 82 79.160 48.346 -23.205 1.00 0.00 H new ATOM 0 HB3 ASP A 82 79.452 49.604 -22.020 1.00 0.00 H new ATOM 1284 N PHE A 83 81.669 46.873 -22.205 1.00 0.00 N ATOM 1285 CA PHE A 83 82.109 45.936 -21.178 1.00 0.00 C ATOM 1286 C PHE A 83 83.579 45.576 -21.365 1.00 0.00 C ATOM 1287 O PHE A 83 84.307 45.363 -20.394 1.00 0.00 O ATOM 1288 CB PHE A 83 81.252 44.669 -21.213 1.00 0.00 C ATOM 1289 CG PHE A 83 80.098 44.698 -20.253 1.00 0.00 C ATOM 1290 CD1 PHE A 83 80.312 44.895 -18.898 1.00 0.00 C ATOM 1291 CD2 PHE A 83 78.799 44.527 -20.704 1.00 0.00 C ATOM 1292 CE1 PHE A 83 79.252 44.923 -18.011 1.00 0.00 C ATOM 1293 CE2 PHE A 83 77.736 44.554 -19.822 1.00 0.00 C ATOM 1294 CZ PHE A 83 77.962 44.751 -18.474 1.00 0.00 C ATOM 0 H PHE A 83 81.359 46.434 -23.072 1.00 0.00 H new ATOM 0 HA PHE A 83 81.992 46.418 -20.207 1.00 0.00 H new ATOM 0 HB2 PHE A 83 80.870 44.527 -22.224 1.00 0.00 H new ATOM 0 HB3 PHE A 83 81.881 43.808 -20.986 1.00 0.00 H new ATOM 0 HD1 PHE A 83 81.319 45.028 -18.531 1.00 0.00 H new ATOM 0 HD2 PHE A 83 78.615 44.371 -21.757 1.00 0.00 H new ATOM 0 HE1 PHE A 83 79.432 45.079 -16.958 1.00 0.00 H new ATOM 0 HE2 PHE A 83 76.728 44.421 -20.187 1.00 0.00 H new ATOM 0 HZ PHE A 83 77.132 44.771 -17.783 1.00 0.00 H new ATOM 1304 N LEU A 84 84.011 45.508 -22.619 1.00 0.00 N ATOM 1305 CA LEU A 84 85.395 45.172 -22.936 1.00 0.00 C ATOM 1306 C LEU A 84 86.359 46.129 -22.241 1.00 0.00 C ATOM 1307 O LEU A 84 87.511 45.782 -21.978 1.00 0.00 O ATOM 1308 CB LEU A 84 85.617 45.215 -24.448 1.00 0.00 C ATOM 1309 CG LEU A 84 85.075 44.024 -25.240 1.00 0.00 C ATOM 1310 CD1 LEU A 84 84.637 44.462 -26.629 1.00 0.00 C ATOM 1311 CD2 LEU A 84 86.122 42.923 -25.332 1.00 0.00 C ATOM 0 H LEU A 84 83.422 45.681 -23.434 1.00 0.00 H new ATOM 0 HA LEU A 84 85.591 44.162 -22.575 1.00 0.00 H new ATOM 0 HB2 LEU A 84 85.158 46.124 -24.837 1.00 0.00 H new ATOM 0 HB3 LEU A 84 86.688 45.294 -24.636 1.00 0.00 H new ATOM 0 HG LEU A 84 84.206 43.628 -24.715 1.00 0.00 H new ATOM 0 HD11 LEU A 84 84.254 43.602 -27.178 1.00 0.00 H new ATOM 0 HD12 LEU A 84 83.854 45.215 -26.543 1.00 0.00 H new ATOM 0 HD13 LEU A 84 85.489 44.884 -27.163 1.00 0.00 H new ATOM 0 HD21 LEU A 84 85.719 42.084 -25.899 1.00 0.00 H new ATOM 0 HD22 LEU A 84 87.010 43.307 -25.834 1.00 0.00 H new ATOM 0 HD23 LEU A 84 86.388 42.589 -24.329 1.00 0.00 H new ATOM 1323 N ARG A 85 85.880 47.332 -21.945 1.00 0.00 N ATOM 1324 CA ARG A 85 86.700 48.338 -21.280 1.00 0.00 C ATOM 1325 C ARG A 85 86.852 48.020 -19.796 1.00 0.00 C ATOM 1326 O ARG A 85 87.833 48.413 -19.164 1.00 0.00 O ATOM 1327 CB ARG A 85 86.081 49.727 -21.454 1.00 0.00 C ATOM 1328 CG ARG A 85 86.079 50.216 -22.893 1.00 0.00 C ATOM 1329 CD ARG A 85 85.279 51.501 -23.043 1.00 0.00 C ATOM 1330 NE ARG A 85 85.310 52.008 -24.412 1.00 0.00 N ATOM 1331 CZ ARG A 85 85.039 53.268 -24.736 1.00 0.00 C ATOM 1332 NH1 ARG A 85 84.720 54.144 -23.793 1.00 0.00 N ATOM 1333 NH2 ARG A 85 85.088 53.653 -26.004 1.00 0.00 N ATOM 0 H ARG A 85 84.929 47.634 -22.155 1.00 0.00 H new ATOM 0 HA ARG A 85 87.688 48.328 -21.740 1.00 0.00 H new ATOM 0 HB2 ARG A 85 85.056 49.708 -21.084 1.00 0.00 H new ATOM 0 HB3 ARG A 85 86.629 50.440 -20.838 1.00 0.00 H new ATOM 0 HG2 ARG A 85 87.104 50.384 -23.223 1.00 0.00 H new ATOM 0 HG3 ARG A 85 85.658 49.446 -23.540 1.00 0.00 H new ATOM 0 HD2 ARG A 85 84.246 51.321 -22.746 1.00 0.00 H new ATOM 0 HD3 ARG A 85 85.678 52.257 -22.367 1.00 0.00 H new ATOM 0 HE ARG A 85 85.553 51.359 -25.161 1.00 0.00 H new ATOM 0 HH11 ARG A 85 84.682 53.851 -22.817 1.00 0.00 H new ATOM 0 HH12 ARG A 85 84.512 55.111 -24.044 1.00 0.00 H new ATOM 0 HH21 ARG A 85 85.334 52.982 -26.732 1.00 0.00 H new ATOM 0 HH22 ARG A 85 84.880 54.620 -26.252 1.00 0.00 H new ATOM 1347 N ALA A 86 85.876 47.307 -19.245 1.00 0.00 N ATOM 1348 CA ALA A 86 85.902 46.935 -17.836 1.00 0.00 C ATOM 1349 C ALA A 86 86.565 45.575 -17.640 1.00 0.00 C ATOM 1350 O ALA A 86 87.418 45.409 -16.767 1.00 0.00 O ATOM 1351 CB ALA A 86 84.492 46.924 -17.266 1.00 0.00 C ATOM 0 H ALA A 86 85.056 46.975 -19.753 1.00 0.00 H new ATOM 0 HA ALA A 86 86.492 47.679 -17.300 1.00 0.00 H new ATOM 0 HB1 ALA A 86 84.527 46.644 -16.213 1.00 0.00 H new ATOM 0 HB2 ALA A 86 84.052 47.917 -17.363 1.00 0.00 H new ATOM 0 HB3 ALA A 86 83.884 46.203 -17.813 1.00 0.00 H new ATOM 1357 N THR A 87 86.167 44.605 -18.456 1.00 0.00 N ATOM 1358 CA THR A 87 86.721 43.259 -18.371 1.00 0.00 C ATOM 1359 C THR A 87 87.037 42.706 -19.756 1.00 0.00 C ATOM 1360 O THR A 87 86.723 43.328 -20.771 1.00 0.00 O ATOM 1361 CB THR A 87 85.753 42.298 -17.655 1.00 0.00 C ATOM 1362 OG1 THR A 87 86.406 41.051 -17.393 1.00 0.00 O ATOM 1363 CG2 THR A 87 84.509 42.057 -18.497 1.00 0.00 C ATOM 0 H THR A 87 85.463 44.726 -19.184 1.00 0.00 H new ATOM 0 HA THR A 87 87.643 43.332 -17.793 1.00 0.00 H new ATOM 0 HB THR A 87 85.452 42.756 -16.713 1.00 0.00 H new ATOM 0 HG1 THR A 87 87.320 41.219 -17.081 1.00 0.00 H new ATOM 0 HG21 THR A 87 83.840 41.376 -17.971 1.00 0.00 H new ATOM 0 HG22 THR A 87 83.998 43.004 -18.671 1.00 0.00 H new ATOM 0 HG23 THR A 87 84.796 41.618 -19.453 1.00 0.00 H new ATOM 1371 N THR A 88 87.662 41.533 -19.791 1.00 0.00 N ATOM 1372 CA THR A 88 88.021 40.896 -21.051 1.00 0.00 C ATOM 1373 C THR A 88 86.791 40.331 -21.753 1.00 0.00 C ATOM 1374 O THR A 88 85.671 40.450 -21.255 1.00 0.00 O ATOM 1375 CB THR A 88 89.042 39.762 -20.837 1.00 0.00 C ATOM 1376 OG1 THR A 88 88.400 38.633 -20.235 1.00 0.00 O ATOM 1377 CG2 THR A 88 90.191 40.228 -19.955 1.00 0.00 C ATOM 0 H THR A 88 87.930 41.005 -18.960 1.00 0.00 H new ATOM 0 HA THR A 88 88.471 41.667 -21.677 1.00 0.00 H new ATOM 0 HB THR A 88 89.444 39.476 -21.809 1.00 0.00 H new ATOM 0 HG1 THR A 88 89.055 37.916 -20.104 1.00 0.00 H new ATOM 0 HG21 THR A 88 90.899 39.411 -19.818 1.00 0.00 H new ATOM 0 HG22 THR A 88 90.696 41.070 -20.429 1.00 0.00 H new ATOM 0 HG23 THR A 88 89.802 40.538 -18.985 1.00 0.00 H new ATOM 1385 N LEU A 89 87.007 39.716 -22.910 1.00 0.00 N ATOM 1386 CA LEU A 89 85.914 39.132 -23.681 1.00 0.00 C ATOM 1387 C LEU A 89 85.328 37.921 -22.962 1.00 0.00 C ATOM 1388 O LEU A 89 84.110 37.759 -22.889 1.00 0.00 O ATOM 1389 CB LEU A 89 86.405 38.725 -25.071 1.00 0.00 C ATOM 1390 CG LEU A 89 85.361 38.758 -26.188 1.00 0.00 C ATOM 1391 CD1 LEU A 89 84.180 37.865 -25.841 1.00 0.00 C ATOM 1392 CD2 LEU A 89 84.897 40.184 -26.442 1.00 0.00 C ATOM 0 H LEU A 89 87.928 39.608 -23.335 1.00 0.00 H new ATOM 0 HA LEU A 89 85.132 39.884 -23.784 1.00 0.00 H new ATOM 0 HB2 LEU A 89 87.228 39.383 -25.351 1.00 0.00 H new ATOM 0 HB3 LEU A 89 86.811 37.715 -25.010 1.00 0.00 H new ATOM 0 HG LEU A 89 85.821 38.379 -27.101 1.00 0.00 H new ATOM 0 HD11 LEU A 89 83.447 37.901 -26.647 1.00 0.00 H new ATOM 0 HD12 LEU A 89 84.525 36.839 -25.710 1.00 0.00 H new ATOM 0 HD13 LEU A 89 83.720 38.214 -24.917 1.00 0.00 H new ATOM 0 HD21 LEU A 89 84.154 40.188 -27.240 1.00 0.00 H new ATOM 0 HD22 LEU A 89 84.455 40.590 -25.532 1.00 0.00 H new ATOM 0 HD23 LEU A 89 85.749 40.797 -26.736 1.00 0.00 H new ATOM 1404 N TYR A 90 86.203 37.074 -22.430 1.00 0.00 N ATOM 1405 CA TYR A 90 85.772 35.878 -21.717 1.00 0.00 C ATOM 1406 C TYR A 90 84.752 36.225 -20.637 1.00 0.00 C ATOM 1407 O TYR A 90 83.881 35.421 -20.308 1.00 0.00 O ATOM 1408 CB TYR A 90 86.975 35.172 -21.089 1.00 0.00 C ATOM 1409 CG TYR A 90 86.603 33.968 -20.254 1.00 0.00 C ATOM 1410 CD1 TYR A 90 86.294 34.101 -18.906 1.00 0.00 C ATOM 1411 CD2 TYR A 90 86.560 32.696 -20.813 1.00 0.00 C ATOM 1412 CE1 TYR A 90 85.954 33.004 -18.138 1.00 0.00 C ATOM 1413 CE2 TYR A 90 86.220 31.594 -20.054 1.00 0.00 C ATOM 1414 CZ TYR A 90 85.918 31.752 -18.717 1.00 0.00 C ATOM 1415 OH TYR A 90 85.580 30.656 -17.957 1.00 0.00 O ATOM 0 H TYR A 90 87.215 37.194 -22.479 1.00 0.00 H new ATOM 0 HA TYR A 90 85.300 35.208 -22.436 1.00 0.00 H new ATOM 0 HB2 TYR A 90 87.655 34.858 -21.881 1.00 0.00 H new ATOM 0 HB3 TYR A 90 87.518 35.882 -20.465 1.00 0.00 H new ATOM 0 HD1 TYR A 90 86.320 35.080 -18.450 1.00 0.00 H new ATOM 0 HD2 TYR A 90 86.797 32.568 -21.859 1.00 0.00 H new ATOM 0 HE1 TYR A 90 85.718 33.126 -17.091 1.00 0.00 H new ATOM 0 HE2 TYR A 90 86.191 30.613 -20.505 1.00 0.00 H new ATOM 0 HH TYR A 90 85.601 29.851 -18.516 1.00 0.00 H new ATOM 1425 N ASN A 91 84.866 37.431 -20.090 1.00 0.00 N ATOM 1426 CA ASN A 91 83.954 37.887 -19.047 1.00 0.00 C ATOM 1427 C ASN A 91 82.788 38.666 -19.647 1.00 0.00 C ATOM 1428 O ASN A 91 81.650 38.555 -19.187 1.00 0.00 O ATOM 1429 CB ASN A 91 84.699 38.760 -18.035 1.00 0.00 C ATOM 1430 CG ASN A 91 85.271 37.954 -16.885 1.00 0.00 C ATOM 1431 OD1 ASN A 91 84.937 36.782 -16.708 1.00 0.00 O ATOM 1432 ND2 ASN A 91 86.138 38.579 -16.097 1.00 0.00 N ATOM 0 H ASN A 91 85.581 38.110 -20.352 1.00 0.00 H new ATOM 0 HA ASN A 91 83.557 37.009 -18.537 1.00 0.00 H new ATOM 0 HB2 ASN A 91 85.507 39.289 -18.541 1.00 0.00 H new ATOM 0 HB3 ASN A 91 84.019 39.516 -17.642 1.00 0.00 H new ATOM 0 HD21 ASN A 91 86.556 38.087 -15.307 1.00 0.00 H new ATOM 0 HD22 ASN A 91 86.386 39.551 -16.281 1.00 0.00 H new ATOM 1439 N THR A 92 83.077 39.455 -20.677 1.00 0.00 N ATOM 1440 CA THR A 92 82.054 40.253 -21.339 1.00 0.00 C ATOM 1441 C THR A 92 80.863 39.393 -21.746 1.00 0.00 C ATOM 1442 O THR A 92 79.713 39.755 -21.501 1.00 0.00 O ATOM 1443 CB THR A 92 82.613 40.958 -22.589 1.00 0.00 C ATOM 1444 OG1 THR A 92 83.689 41.828 -22.221 1.00 0.00 O ATOM 1445 CG2 THR A 92 81.526 41.758 -23.292 1.00 0.00 C ATOM 0 H THR A 92 84.012 39.558 -21.071 1.00 0.00 H new ATOM 0 HA THR A 92 81.727 41.005 -20.621 1.00 0.00 H new ATOM 0 HB THR A 92 82.981 40.195 -23.274 1.00 0.00 H new ATOM 0 HG1 THR A 92 84.429 41.298 -21.857 1.00 0.00 H new ATOM 0 HG21 THR A 92 81.945 42.247 -24.172 1.00 0.00 H new ATOM 0 HG22 THR A 92 80.722 41.089 -23.597 1.00 0.00 H new ATOM 0 HG23 THR A 92 81.132 42.512 -22.611 1.00 0.00 H new ATOM 1453 N GLU A 93 81.147 38.252 -22.367 1.00 0.00 N ATOM 1454 CA GLU A 93 80.097 37.341 -22.806 1.00 0.00 C ATOM 1455 C GLU A 93 79.343 36.763 -21.612 1.00 0.00 C ATOM 1456 O GLU A 93 78.177 36.384 -21.724 1.00 0.00 O ATOM 1457 CB GLU A 93 80.693 36.208 -23.644 1.00 0.00 C ATOM 1458 CG GLU A 93 81.204 36.659 -25.003 1.00 0.00 C ATOM 1459 CD GLU A 93 80.368 36.120 -26.148 1.00 0.00 C ATOM 1460 OE1 GLU A 93 80.248 34.883 -26.263 1.00 0.00 O ATOM 1461 OE2 GLU A 93 79.835 36.936 -26.929 1.00 0.00 O ATOM 0 H GLU A 93 82.094 37.937 -22.577 1.00 0.00 H new ATOM 0 HA GLU A 93 79.394 37.906 -23.418 1.00 0.00 H new ATOM 0 HB2 GLU A 93 81.513 35.751 -23.090 1.00 0.00 H new ATOM 0 HB3 GLU A 93 79.936 35.437 -23.788 1.00 0.00 H new ATOM 0 HG2 GLU A 93 81.208 37.748 -25.042 1.00 0.00 H new ATOM 0 HG3 GLU A 93 82.236 36.332 -25.126 1.00 0.00 H new ATOM 1468 N VAL A 94 80.018 36.697 -20.469 1.00 0.00 N ATOM 1469 CA VAL A 94 79.413 36.166 -19.253 1.00 0.00 C ATOM 1470 C VAL A 94 78.433 37.163 -18.646 1.00 0.00 C ATOM 1471 O VAL A 94 77.485 36.779 -17.959 1.00 0.00 O ATOM 1472 CB VAL A 94 80.483 35.810 -18.204 1.00 0.00 C ATOM 1473 CG1 VAL A 94 79.830 35.287 -16.933 1.00 0.00 C ATOM 1474 CG2 VAL A 94 81.463 34.792 -18.767 1.00 0.00 C ATOM 0 H VAL A 94 80.984 37.005 -20.359 1.00 0.00 H new ATOM 0 HA VAL A 94 78.876 35.260 -19.535 1.00 0.00 H new ATOM 0 HB VAL A 94 81.038 36.714 -17.954 1.00 0.00 H new ATOM 0 HG11 VAL A 94 80.601 35.040 -16.203 1.00 0.00 H new ATOM 0 HG12 VAL A 94 79.171 36.052 -16.521 1.00 0.00 H new ATOM 0 HG13 VAL A 94 79.249 34.394 -17.163 1.00 0.00 H new ATOM 0 HG21 VAL A 94 82.212 34.552 -18.012 1.00 0.00 H new ATOM 0 HG22 VAL A 94 80.926 33.886 -19.046 1.00 0.00 H new ATOM 0 HG23 VAL A 94 81.954 35.208 -19.647 1.00 0.00 H new ATOM 1484 N LEU A 95 78.667 38.445 -18.904 1.00 0.00 N ATOM 1485 CA LEU A 95 77.803 39.500 -18.384 1.00 0.00 C ATOM 1486 C LEU A 95 76.677 39.815 -19.363 1.00 0.00 C ATOM 1487 O LEU A 95 75.498 39.722 -19.020 1.00 0.00 O ATOM 1488 CB LEU A 95 78.620 40.763 -18.104 1.00 0.00 C ATOM 1489 CG LEU A 95 79.862 40.580 -17.231 1.00 0.00 C ATOM 1490 CD1 LEU A 95 80.897 41.648 -17.545 1.00 0.00 C ATOM 1491 CD2 LEU A 95 79.487 40.614 -15.757 1.00 0.00 C ATOM 0 H LEU A 95 79.447 38.779 -19.470 1.00 0.00 H new ATOM 0 HA LEU A 95 77.360 39.147 -17.453 1.00 0.00 H new ATOM 0 HB2 LEU A 95 78.931 41.189 -19.058 1.00 0.00 H new ATOM 0 HB3 LEU A 95 77.969 41.494 -17.625 1.00 0.00 H new ATOM 0 HG LEU A 95 80.298 39.606 -17.452 1.00 0.00 H new ATOM 0 HD11 LEU A 95 81.774 41.502 -16.914 1.00 0.00 H new ATOM 0 HD12 LEU A 95 81.188 41.576 -18.593 1.00 0.00 H new ATOM 0 HD13 LEU A 95 80.473 42.634 -17.353 1.00 0.00 H new ATOM 0 HD21 LEU A 95 80.383 40.482 -15.150 1.00 0.00 H new ATOM 0 HD22 LEU A 95 79.027 41.573 -15.521 1.00 0.00 H new ATOM 0 HD23 LEU A 95 78.782 39.811 -15.542 1.00 0.00 H new ATOM 1503 N LEU A 96 77.048 40.185 -20.584 1.00 0.00 N ATOM 1504 CA LEU A 96 76.070 40.512 -21.615 1.00 0.00 C ATOM 1505 C LEU A 96 75.043 39.394 -21.765 1.00 0.00 C ATOM 1506 O LEU A 96 73.848 39.602 -21.557 1.00 0.00 O ATOM 1507 CB LEU A 96 76.771 40.759 -22.951 1.00 0.00 C ATOM 1508 CG LEU A 96 76.509 42.116 -23.606 1.00 0.00 C ATOM 1509 CD1 LEU A 96 77.167 42.185 -24.975 1.00 0.00 C ATOM 1510 CD2 LEU A 96 75.014 42.375 -23.717 1.00 0.00 C ATOM 0 H LEU A 96 78.020 40.266 -20.884 1.00 0.00 H new ATOM 0 HA LEU A 96 75.549 41.420 -21.312 1.00 0.00 H new ATOM 0 HB2 LEU A 96 77.845 40.652 -22.800 1.00 0.00 H new ATOM 0 HB3 LEU A 96 76.468 39.977 -23.648 1.00 0.00 H new ATOM 0 HG LEU A 96 76.946 42.891 -22.977 1.00 0.00 H new ATOM 0 HD11 LEU A 96 76.969 43.158 -25.425 1.00 0.00 H new ATOM 0 HD12 LEU A 96 78.243 42.046 -24.869 1.00 0.00 H new ATOM 0 HD13 LEU A 96 76.761 41.401 -25.614 1.00 0.00 H new ATOM 0 HD21 LEU A 96 74.847 43.345 -24.185 1.00 0.00 H new ATOM 0 HD22 LEU A 96 74.554 41.595 -24.323 1.00 0.00 H new ATOM 0 HD23 LEU A 96 74.569 42.371 -22.722 1.00 0.00 H new ATOM 1522 N SER A 97 75.519 38.206 -22.127 1.00 0.00 N ATOM 1523 CA SER A 97 74.642 37.055 -22.306 1.00 0.00 C ATOM 1524 C SER A 97 73.762 36.845 -21.078 1.00 0.00 C ATOM 1525 O SER A 97 72.539 36.753 -21.185 1.00 0.00 O ATOM 1526 CB SER A 97 75.468 35.796 -22.577 1.00 0.00 C ATOM 1527 OG SER A 97 74.683 34.795 -23.203 1.00 0.00 O ATOM 0 H SER A 97 76.506 38.016 -22.302 1.00 0.00 H new ATOM 0 HA SER A 97 73.998 37.250 -23.163 1.00 0.00 H new ATOM 0 HB2 SER A 97 76.319 36.045 -23.211 1.00 0.00 H new ATOM 0 HB3 SER A 97 75.871 35.413 -21.639 1.00 0.00 H new ATOM 0 HG SER A 97 75.235 34.002 -23.367 1.00 0.00 H new ATOM 1533 N HIS A 98 74.394 36.769 -19.911 1.00 0.00 N ATOM 1534 CA HIS A 98 73.670 36.570 -18.661 1.00 0.00 C ATOM 1535 C HIS A 98 72.560 37.606 -18.505 1.00 0.00 C ATOM 1536 O HIS A 98 71.446 37.280 -18.092 1.00 0.00 O ATOM 1537 CB HIS A 98 74.629 36.652 -17.473 1.00 0.00 C ATOM 1538 CG HIS A 98 73.960 36.447 -16.148 1.00 0.00 C ATOM 1539 ND1 HIS A 98 72.749 35.803 -16.008 1.00 0.00 N ATOM 1540 CD2 HIS A 98 74.341 36.804 -14.899 1.00 0.00 C ATOM 1541 CE1 HIS A 98 72.413 35.774 -14.731 1.00 0.00 C ATOM 1542 NE2 HIS A 98 73.363 36.375 -14.037 1.00 0.00 N ATOM 0 H HIS A 98 75.406 36.842 -19.805 1.00 0.00 H new ATOM 0 HA HIS A 98 73.218 35.579 -18.686 1.00 0.00 H new ATOM 0 HB2 HIS A 98 75.411 35.903 -17.596 1.00 0.00 H new ATOM 0 HB3 HIS A 98 75.117 37.626 -17.477 1.00 0.00 H new ATOM 0 HD2 HIS A 98 75.246 37.329 -14.631 1.00 0.00 H new ATOM 0 HE1 HIS A 98 71.515 35.334 -14.324 1.00 0.00 H new ATOM 0 HE2 HIS A 98 73.369 36.500 -13.025 1.00 0.00 H new ATOM 1550 N LEU A 99 72.871 38.853 -18.839 1.00 0.00 N ATOM 1551 CA LEU A 99 71.900 39.937 -18.736 1.00 0.00 C ATOM 1552 C LEU A 99 70.755 39.739 -19.725 1.00 0.00 C ATOM 1553 O LEU A 99 69.643 40.220 -19.507 1.00 0.00 O ATOM 1554 CB LEU A 99 72.580 41.284 -18.989 1.00 0.00 C ATOM 1555 CG LEU A 99 72.667 42.228 -17.789 1.00 0.00 C ATOM 1556 CD1 LEU A 99 74.022 42.103 -17.109 1.00 0.00 C ATOM 1557 CD2 LEU A 99 72.416 43.665 -18.222 1.00 0.00 C ATOM 0 H LEU A 99 73.788 39.139 -19.183 1.00 0.00 H new ATOM 0 HA LEU A 99 71.489 39.928 -17.726 1.00 0.00 H new ATOM 0 HB2 LEU A 99 73.590 41.096 -19.352 1.00 0.00 H new ATOM 0 HB3 LEU A 99 72.044 41.794 -19.789 1.00 0.00 H new ATOM 0 HG LEU A 99 71.896 41.946 -17.072 1.00 0.00 H new ATOM 0 HD11 LEU A 99 74.066 42.782 -16.257 1.00 0.00 H new ATOM 0 HD12 LEU A 99 74.163 41.079 -16.764 1.00 0.00 H new ATOM 0 HD13 LEU A 99 74.810 42.359 -17.818 1.00 0.00 H new ATOM 0 HD21 LEU A 99 72.482 44.323 -17.355 1.00 0.00 H new ATOM 0 HD22 LEU A 99 73.164 43.959 -18.958 1.00 0.00 H new ATOM 0 HD23 LEU A 99 71.422 43.744 -18.663 1.00 0.00 H new ATOM 1569 N SER A 100 71.035 39.026 -20.811 1.00 0.00 N ATOM 1570 CA SER A 100 70.030 38.765 -21.834 1.00 0.00 C ATOM 1571 C SER A 100 69.209 37.527 -21.486 1.00 0.00 C ATOM 1572 O SER A 100 68.056 37.397 -21.898 1.00 0.00 O ATOM 1573 CB SER A 100 70.696 38.582 -23.199 1.00 0.00 C ATOM 1574 OG SER A 100 71.108 37.239 -23.389 1.00 0.00 O ATOM 0 H SER A 100 71.950 38.619 -21.005 1.00 0.00 H new ATOM 0 HA SER A 100 69.360 39.624 -21.877 1.00 0.00 H new ATOM 0 HB2 SER A 100 70.000 38.867 -23.988 1.00 0.00 H new ATOM 0 HB3 SER A 100 71.558 39.245 -23.279 1.00 0.00 H new ATOM 0 HG SER A 100 71.716 36.978 -22.666 1.00 0.00 H new ATOM 1580 N TYR A 101 69.812 36.620 -20.726 1.00 0.00 N ATOM 1581 CA TYR A 101 69.139 35.390 -20.323 1.00 0.00 C ATOM 1582 C TYR A 101 67.918 35.695 -19.461 1.00 0.00 C ATOM 1583 O TYR A 101 66.890 35.025 -19.561 1.00 0.00 O ATOM 1584 CB TYR A 101 70.104 34.483 -19.559 1.00 0.00 C ATOM 1585 CG TYR A 101 69.436 33.280 -18.932 1.00 0.00 C ATOM 1586 CD1 TYR A 101 68.876 33.355 -17.663 1.00 0.00 C ATOM 1587 CD2 TYR A 101 69.366 32.068 -19.609 1.00 0.00 C ATOM 1588 CE1 TYR A 101 68.265 32.258 -17.086 1.00 0.00 C ATOM 1589 CE2 TYR A 101 68.756 30.967 -19.040 1.00 0.00 C ATOM 1590 CZ TYR A 101 68.207 31.067 -17.779 1.00 0.00 C ATOM 1591 OH TYR A 101 67.600 29.972 -17.208 1.00 0.00 O ATOM 0 H TYR A 101 70.766 36.713 -20.376 1.00 0.00 H new ATOM 0 HA TYR A 101 68.805 34.876 -21.224 1.00 0.00 H new ATOM 0 HB2 TYR A 101 70.884 34.141 -20.239 1.00 0.00 H new ATOM 0 HB3 TYR A 101 70.594 35.064 -18.778 1.00 0.00 H new ATOM 0 HD1 TYR A 101 68.919 34.286 -17.118 1.00 0.00 H new ATOM 0 HD2 TYR A 101 69.796 31.986 -20.596 1.00 0.00 H new ATOM 0 HE1 TYR A 101 67.835 32.333 -16.098 1.00 0.00 H new ATOM 0 HE2 TYR A 101 68.709 30.033 -19.580 1.00 0.00 H new ATOM 0 HH TYR A 101 67.644 29.214 -17.827 1.00 0.00 H new ATOM 1601 N LEU A 102 68.040 36.711 -18.613 1.00 0.00 N ATOM 1602 CA LEU A 102 66.946 37.106 -17.732 1.00 0.00 C ATOM 1603 C LEU A 102 65.691 37.434 -18.534 1.00 0.00 C ATOM 1604 O LEU A 102 64.575 37.142 -18.105 1.00 0.00 O ATOM 1605 CB LEU A 102 67.357 38.315 -16.889 1.00 0.00 C ATOM 1606 CG LEU A 102 68.718 38.222 -16.199 1.00 0.00 C ATOM 1607 CD1 LEU A 102 69.017 39.501 -15.433 1.00 0.00 C ATOM 1608 CD2 LEU A 102 68.762 37.018 -15.269 1.00 0.00 C ATOM 0 H LEU A 102 68.884 37.275 -18.517 1.00 0.00 H new ATOM 0 HA LEU A 102 66.723 36.268 -17.072 1.00 0.00 H new ATOM 0 HB2 LEU A 102 67.357 39.196 -17.530 1.00 0.00 H new ATOM 0 HB3 LEU A 102 66.596 38.476 -16.126 1.00 0.00 H new ATOM 0 HG LEU A 102 69.484 38.094 -16.964 1.00 0.00 H new ATOM 0 HD11 LEU A 102 69.990 39.416 -14.949 1.00 0.00 H new ATOM 0 HD12 LEU A 102 69.028 40.344 -16.123 1.00 0.00 H new ATOM 0 HD13 LEU A 102 68.248 39.661 -14.677 1.00 0.00 H new ATOM 0 HD21 LEU A 102 69.738 36.967 -14.786 1.00 0.00 H new ATOM 0 HD22 LEU A 102 67.986 37.116 -14.510 1.00 0.00 H new ATOM 0 HD23 LEU A 102 68.594 36.108 -15.844 1.00 0.00 H new