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 57 TYR OH : rot 180:sc= -0.0867 USER MOD Set 1.2: A 98 HIS : no HD1:sc= -2.49! X(o=-2.6!,f=-2.6) USER MOD Set 2.1: A 87 THR OG1 : rot 110:sc= -1.1 USER MOD Set 2.2: A 91 ASN : amide:sc= -3.12! C(o=-4.2!,f=-8.4!) USER MOD Set 3.1: A 42 THR OG1 : rot -79:sc= 0.0526 USER MOD Set 3.2: A 45 HIS : no HD1:sc= -0.722 X(o=-0.67,f=-0.66) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 GLN :FLIP amide:sc= -0.0509 F(o=-0.96,f=-0.051) 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= -2.95 K(o=-3,f=-5.3!) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 70 MET CE :methyl -159:sc= 0 (180deg=-0.587) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 CYS SG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl -158:sc= -1.15 (180deg=-1.5) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0.15) USER MOD Single : A 80 LYS NZ :NH3+ -174:sc= -0.52 (180deg=-0.661) 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 60:sc= 1.17 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 459 N ILE A 33 65.716 39.518 -4.447 1.00 0.00 N ATOM 460 CA ILE A 33 66.901 39.321 -5.271 1.00 0.00 C ATOM 461 C ILE A 33 66.792 40.089 -6.584 1.00 0.00 C ATOM 462 O ILE A 33 67.791 40.573 -7.118 1.00 0.00 O ATOM 463 CB ILE A 33 67.132 37.830 -5.580 1.00 0.00 C ATOM 464 CG1 ILE A 33 68.431 37.644 -6.366 1.00 0.00 C ATOM 465 CG2 ILE A 33 65.952 37.261 -6.355 1.00 0.00 C ATOM 466 CD1 ILE A 33 68.910 36.210 -6.411 1.00 0.00 C ATOM 0 HA ILE A 33 67.748 39.700 -4.699 1.00 0.00 H new ATOM 0 HB ILE A 33 67.219 37.289 -4.638 1.00 0.00 H new ATOM 0 HG12 ILE A 33 68.284 38.002 -7.385 1.00 0.00 H new ATOM 0 HG13 ILE A 33 69.208 38.264 -5.920 1.00 0.00 H new ATOM 0 HG21 ILE A 33 66.130 36.207 -6.566 1.00 0.00 H new ATOM 0 HG22 ILE A 33 65.043 37.364 -5.762 1.00 0.00 H new ATOM 0 HG23 ILE A 33 65.837 37.804 -7.293 1.00 0.00 H new ATOM 0 HD11 ILE A 33 69.835 36.153 -6.984 1.00 0.00 H new ATOM 0 HD12 ILE A 33 69.090 35.854 -5.396 1.00 0.00 H new ATOM 0 HD13 ILE A 33 68.151 35.588 -6.885 1.00 0.00 H new ATOM 478 N VAL A 34 65.572 40.200 -7.099 1.00 0.00 N ATOM 479 CA VAL A 34 65.330 40.913 -8.348 1.00 0.00 C ATOM 480 C VAL A 34 63.898 41.430 -8.417 1.00 0.00 C ATOM 481 O VAL A 34 62.944 40.741 -8.054 1.00 0.00 O ATOM 482 CB VAL A 34 65.600 40.013 -9.568 1.00 0.00 C ATOM 483 CG1 VAL A 34 64.670 40.378 -10.716 1.00 0.00 C ATOM 484 CG2 VAL A 34 67.056 40.118 -9.996 1.00 0.00 C ATOM 0 H VAL A 34 64.735 39.805 -6.670 1.00 0.00 H new ATOM 0 HA VAL A 34 66.019 41.758 -8.370 1.00 0.00 H new ATOM 0 HB VAL A 34 65.402 38.979 -9.286 1.00 0.00 H new ATOM 0 HG11 VAL A 34 64.875 39.732 -11.570 1.00 0.00 H new ATOM 0 HG12 VAL A 34 63.635 40.246 -10.401 1.00 0.00 H new ATOM 0 HG13 VAL A 34 64.833 41.418 -11.000 1.00 0.00 H new ATOM 0 HG21 VAL A 34 67.229 39.475 -10.859 1.00 0.00 H new ATOM 0 HG22 VAL A 34 67.284 41.151 -10.261 1.00 0.00 H new ATOM 0 HG23 VAL A 34 67.700 39.803 -9.175 1.00 0.00 H new ATOM 494 N PRO A 35 63.740 42.673 -8.896 1.00 0.00 N ATOM 495 CA PRO A 35 62.427 43.311 -9.026 1.00 0.00 C ATOM 496 C PRO A 35 61.580 42.675 -10.124 1.00 0.00 C ATOM 497 O PRO A 35 60.409 42.360 -9.913 1.00 0.00 O ATOM 498 CB PRO A 35 62.769 44.759 -9.386 1.00 0.00 C ATOM 499 CG PRO A 35 64.111 44.682 -10.029 1.00 0.00 C ATOM 500 CD PRO A 35 64.832 43.552 -9.348 1.00 0.00 C ATOM 0 HA PRO A 35 61.835 43.213 -8.116 1.00 0.00 H new ATOM 0 HB2 PRO A 35 62.029 45.184 -10.064 1.00 0.00 H new ATOM 0 HB3 PRO A 35 62.790 45.393 -8.500 1.00 0.00 H new ATOM 0 HG2 PRO A 35 64.021 44.498 -11.100 1.00 0.00 H new ATOM 0 HG3 PRO A 35 64.655 45.619 -9.911 1.00 0.00 H new ATOM 0 HD2 PRO A 35 65.506 43.036 -10.031 1.00 0.00 H new ATOM 0 HD3 PRO A 35 65.435 43.906 -8.512 1.00 0.00 H new ATOM 508 N ALA A 36 62.180 42.490 -11.295 1.00 0.00 N ATOM 509 CA ALA A 36 61.481 41.890 -12.425 1.00 0.00 C ATOM 510 C ALA A 36 62.412 41.725 -13.621 1.00 0.00 C ATOM 511 O ALA A 36 62.853 40.618 -13.929 1.00 0.00 O ATOM 512 CB ALA A 36 60.272 42.731 -12.805 1.00 0.00 C ATOM 0 H ALA A 36 63.148 42.747 -11.486 1.00 0.00 H new ATOM 0 HA ALA A 36 61.139 40.899 -12.125 1.00 0.00 H new ATOM 0 HB1 ALA A 36 59.760 42.271 -13.650 1.00 0.00 H new ATOM 0 HB2 ALA A 36 59.590 42.792 -11.957 1.00 0.00 H new ATOM 0 HB3 ALA A 36 60.598 43.734 -13.081 1.00 0.00 H new ATOM 518 N ASP A 37 62.706 42.833 -14.293 1.00 0.00 N ATOM 519 CA ASP A 37 63.584 42.812 -15.456 1.00 0.00 C ATOM 520 C ASP A 37 64.941 43.425 -15.124 1.00 0.00 C ATOM 521 O ASP A 37 65.094 44.165 -14.152 1.00 0.00 O ATOM 522 CB ASP A 37 62.942 43.567 -16.621 1.00 0.00 C ATOM 523 CG ASP A 37 62.219 42.642 -17.581 1.00 0.00 C ATOM 524 OD1 ASP A 37 61.307 41.917 -17.133 1.00 0.00 O ATOM 525 OD2 ASP A 37 62.565 42.645 -18.781 1.00 0.00 O ATOM 0 H ASP A 37 62.349 43.757 -14.052 1.00 0.00 H new ATOM 0 HA ASP A 37 63.736 41.772 -15.746 1.00 0.00 H new ATOM 0 HB2 ASP A 37 62.239 44.302 -16.230 1.00 0.00 H new ATOM 0 HB3 ASP A 37 63.712 44.118 -17.162 1.00 0.00 H new ATOM 530 N PRO A 38 65.951 43.110 -15.948 1.00 0.00 N ATOM 531 CA PRO A 38 67.313 43.619 -15.762 1.00 0.00 C ATOM 532 C PRO A 38 67.418 45.113 -16.045 1.00 0.00 C ATOM 533 O PRO A 38 68.370 45.771 -15.623 1.00 0.00 O ATOM 534 CB PRO A 38 68.132 42.823 -16.781 1.00 0.00 C ATOM 535 CG PRO A 38 67.152 42.436 -17.835 1.00 0.00 C ATOM 536 CD PRO A 38 65.841 42.234 -17.127 1.00 0.00 C ATOM 0 HA PRO A 38 67.655 43.500 -14.734 1.00 0.00 H new ATOM 0 HB2 PRO A 38 68.942 43.424 -17.195 1.00 0.00 H new ATOM 0 HB3 PRO A 38 68.588 41.945 -16.323 1.00 0.00 H new ATOM 0 HG2 PRO A 38 67.069 43.213 -18.595 1.00 0.00 H new ATOM 0 HG3 PRO A 38 67.465 41.524 -18.344 1.00 0.00 H new ATOM 0 HD2 PRO A 38 64.997 42.513 -17.757 1.00 0.00 H new ATOM 0 HD3 PRO A 38 65.695 41.192 -16.841 1.00 0.00 H new ATOM 544 N THR A 39 66.433 45.646 -16.763 1.00 0.00 N ATOM 545 CA THR A 39 66.415 47.062 -17.103 1.00 0.00 C ATOM 546 C THR A 39 65.574 47.856 -16.110 1.00 0.00 C ATOM 547 O THR A 39 64.974 48.872 -16.462 1.00 0.00 O ATOM 548 CB THR A 39 65.864 47.292 -18.524 1.00 0.00 C ATOM 549 OG1 THR A 39 64.450 47.069 -18.542 1.00 0.00 O ATOM 550 CG2 THR A 39 66.542 46.367 -19.523 1.00 0.00 C ATOM 0 H THR A 39 65.637 45.117 -17.120 1.00 0.00 H new ATOM 0 HA THR A 39 67.447 47.410 -17.060 1.00 0.00 H new ATOM 0 HB THR A 39 66.072 48.323 -18.809 1.00 0.00 H new ATOM 0 HG1 THR A 39 64.107 47.219 -19.448 1.00 0.00 H new ATOM 0 HG21 THR A 39 66.137 46.547 -20.519 1.00 0.00 H new ATOM 0 HG22 THR A 39 67.615 46.560 -19.527 1.00 0.00 H new ATOM 0 HG23 THR A 39 66.361 45.330 -19.240 1.00 0.00 H new ATOM 558 N LEU A 40 65.535 47.387 -14.868 1.00 0.00 N ATOM 559 CA LEU A 40 64.768 48.054 -13.822 1.00 0.00 C ATOM 560 C LEU A 40 65.416 47.850 -12.457 1.00 0.00 C ATOM 561 O LEU A 40 64.745 47.899 -11.426 1.00 0.00 O ATOM 562 CB LEU A 40 63.332 47.527 -13.801 1.00 0.00 C ATOM 563 CG LEU A 40 62.472 47.873 -15.017 1.00 0.00 C ATOM 564 CD1 LEU A 40 61.251 46.969 -15.082 1.00 0.00 C ATOM 565 CD2 LEU A 40 62.053 49.335 -14.976 1.00 0.00 C ATOM 0 H LEU A 40 66.026 46.547 -14.561 1.00 0.00 H new ATOM 0 HA LEU A 40 64.754 49.122 -14.041 1.00 0.00 H new ATOM 0 HB2 LEU A 40 63.366 46.442 -13.702 1.00 0.00 H new ATOM 0 HB3 LEU A 40 62.838 47.913 -12.910 1.00 0.00 H new ATOM 0 HG LEU A 40 63.067 47.711 -15.916 1.00 0.00 H new ATOM 0 HD11 LEU A 40 60.651 47.230 -15.954 1.00 0.00 H new ATOM 0 HD12 LEU A 40 61.571 45.930 -15.160 1.00 0.00 H new ATOM 0 HD13 LEU A 40 60.654 47.098 -14.179 1.00 0.00 H new ATOM 0 HD21 LEU A 40 61.442 49.563 -15.849 1.00 0.00 H new ATOM 0 HD22 LEU A 40 61.476 49.523 -14.070 1.00 0.00 H new ATOM 0 HD23 LEU A 40 62.940 49.968 -14.979 1.00 0.00 H new ATOM 577 N TRP A 41 66.725 47.624 -12.457 1.00 0.00 N ATOM 578 CA TRP A 41 67.465 47.415 -11.218 1.00 0.00 C ATOM 579 C TRP A 41 67.802 48.746 -10.554 1.00 0.00 C ATOM 580 O TRP A 41 67.963 49.764 -11.228 1.00 0.00 O ATOM 581 CB TRP A 41 68.747 46.629 -11.492 1.00 0.00 C ATOM 582 CG TRP A 41 68.508 45.170 -11.737 1.00 0.00 C ATOM 583 CD1 TRP A 41 67.434 44.434 -11.326 1.00 0.00 C ATOM 584 CD2 TRP A 41 69.364 44.269 -12.450 1.00 0.00 C ATOM 585 NE1 TRP A 41 67.569 43.131 -11.739 1.00 0.00 N ATOM 586 CE2 TRP A 41 68.745 43.004 -12.431 1.00 0.00 C ATOM 587 CE3 TRP A 41 70.591 44.409 -13.103 1.00 0.00 C ATOM 588 CZ2 TRP A 41 69.313 41.888 -13.040 1.00 0.00 C ATOM 589 CZ3 TRP A 41 71.155 43.300 -13.706 1.00 0.00 C ATOM 590 CH2 TRP A 41 70.516 42.054 -13.672 1.00 0.00 C ATOM 0 H TRP A 41 67.296 47.581 -13.301 1.00 0.00 H new ATOM 0 HA TRP A 41 66.834 46.841 -10.539 1.00 0.00 H new ATOM 0 HB2 TRP A 41 69.250 47.058 -12.359 1.00 0.00 H new ATOM 0 HB3 TRP A 41 69.422 46.742 -10.644 1.00 0.00 H new ATOM 0 HD1 TRP A 41 66.600 44.820 -10.759 1.00 0.00 H new ATOM 0 HE1 TRP A 41 66.902 42.380 -11.560 1.00 0.00 H new ATOM 0 HE3 TRP A 41 71.090 45.366 -13.136 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 68.822 40.926 -13.015 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 72.104 43.396 -14.212 1.00 0.00 H new ATOM 0 HH2 TRP A 41 70.982 41.207 -14.154 1.00 0.00 H new ATOM 601 N THR A 42 67.907 48.732 -9.229 1.00 0.00 N ATOM 602 CA THR A 42 68.224 49.938 -8.475 1.00 0.00 C ATOM 603 C THR A 42 69.731 50.123 -8.342 1.00 0.00 C ATOM 604 O THR A 42 70.511 49.381 -8.938 1.00 0.00 O ATOM 605 CB THR A 42 67.597 49.902 -7.068 1.00 0.00 C ATOM 606 OG1 THR A 42 68.274 48.938 -6.254 1.00 0.00 O ATOM 607 CG2 THR A 42 66.117 49.559 -7.144 1.00 0.00 C ATOM 0 H THR A 42 67.777 47.898 -8.656 1.00 0.00 H new ATOM 0 HA THR A 42 67.805 50.777 -9.030 1.00 0.00 H new ATOM 0 HB THR A 42 67.702 50.891 -6.622 1.00 0.00 H new ATOM 0 HG1 THR A 42 67.949 48.040 -6.472 1.00 0.00 H new ATOM 0 HG21 THR A 42 65.696 49.539 -6.139 1.00 0.00 H new ATOM 0 HG22 THR A 42 65.599 50.311 -7.740 1.00 0.00 H new ATOM 0 HG23 THR A 42 65.994 48.581 -7.608 1.00 0.00 H new ATOM 615 N GLN A 43 70.134 51.118 -7.557 1.00 0.00 N ATOM 616 CA GLN A 43 71.549 51.399 -7.347 1.00 0.00 C ATOM 617 C GLN A 43 72.218 50.274 -6.565 1.00 0.00 C ATOM 618 O GLN A 43 73.424 50.059 -6.678 1.00 0.00 O ATOM 619 CB GLN A 43 71.721 52.725 -6.603 1.00 0.00 C ATOM 620 CG GLN A 43 71.032 53.898 -7.282 1.00 0.00 C ATOM 621 CD GLN A 43 69.710 54.254 -6.630 1.00 0.00 C ATOM 622 OE1 GLN A 43 68.617 53.757 -7.197 1.00 0.00 O flip ATOM 623 NE2 GLN A 43 69.672 54.969 -5.628 1.00 0.00 N flip ATOM 0 H GLN A 43 69.501 51.742 -7.057 1.00 0.00 H new ATOM 0 HA GLN A 43 72.028 51.472 -8.323 1.00 0.00 H new ATOM 0 HB2 GLN A 43 71.327 52.619 -5.592 1.00 0.00 H new ATOM 0 HB3 GLN A 43 72.785 52.944 -6.509 1.00 0.00 H new ATOM 0 HG2 GLN A 43 71.691 54.766 -7.257 1.00 0.00 H new ATOM 0 HG3 GLN A 43 70.862 53.657 -8.331 1.00 0.00 H new ATOM 0 HE21 GLN A 43 70.537 55.329 -5.225 1.00 0.00 H new ATOM 0 HE22 GLN A 43 68.775 55.201 -5.201 1.00 0.00 H new ATOM 632 N GLU A 44 71.426 49.559 -5.771 1.00 0.00 N ATOM 633 CA GLU A 44 71.943 48.456 -4.970 1.00 0.00 C ATOM 634 C GLU A 44 71.978 47.164 -5.781 1.00 0.00 C ATOM 635 O GLU A 44 72.982 46.451 -5.792 1.00 0.00 O ATOM 636 CB GLU A 44 71.087 48.261 -3.717 1.00 0.00 C ATOM 637 CG GLU A 44 71.874 47.779 -2.510 1.00 0.00 C ATOM 638 CD GLU A 44 70.990 47.156 -1.448 1.00 0.00 C ATOM 639 OE1 GLU A 44 70.141 46.312 -1.802 1.00 0.00 O ATOM 640 OE2 GLU A 44 71.149 47.512 -0.261 1.00 0.00 O ATOM 0 H GLU A 44 70.425 49.724 -5.666 1.00 0.00 H new ATOM 0 HA GLU A 44 72.961 48.705 -4.671 1.00 0.00 H new ATOM 0 HB2 GLU A 44 70.600 49.204 -3.469 1.00 0.00 H new ATOM 0 HB3 GLU A 44 70.297 47.542 -3.935 1.00 0.00 H new ATOM 0 HG2 GLU A 44 72.617 47.049 -2.833 1.00 0.00 H new ATOM 0 HG3 GLU A 44 72.419 48.618 -2.077 1.00 0.00 H new ATOM 647 N HIS A 45 70.873 46.867 -6.459 1.00 0.00 N ATOM 648 CA HIS A 45 70.777 45.661 -7.273 1.00 0.00 C ATOM 649 C HIS A 45 71.953 45.562 -8.240 1.00 0.00 C ATOM 650 O HIS A 45 72.662 44.556 -8.271 1.00 0.00 O ATOM 651 CB HIS A 45 69.461 45.650 -8.051 1.00 0.00 C ATOM 652 CG HIS A 45 68.299 45.141 -7.255 1.00 0.00 C ATOM 653 ND1 HIS A 45 67.107 45.826 -7.141 1.00 0.00 N ATOM 654 CD2 HIS A 45 68.150 44.007 -6.531 1.00 0.00 C ATOM 655 CE1 HIS A 45 66.276 45.135 -6.381 1.00 0.00 C ATOM 656 NE2 HIS A 45 66.884 44.027 -5.999 1.00 0.00 N ATOM 0 H HIS A 45 70.033 47.445 -6.460 1.00 0.00 H new ATOM 0 HA HIS A 45 70.805 44.799 -6.606 1.00 0.00 H new ATOM 0 HB2 HIS A 45 69.242 46.662 -8.392 1.00 0.00 H new ATOM 0 HB3 HIS A 45 69.580 45.032 -8.941 1.00 0.00 H new ATOM 0 HD2 HIS A 45 68.889 43.231 -6.397 1.00 0.00 H new ATOM 0 HE1 HIS A 45 65.270 45.427 -6.117 1.00 0.00 H new ATOM 0 HE2 HIS A 45 66.479 43.303 -5.405 1.00 0.00 H new ATOM 664 N VAL A 46 72.155 46.613 -9.028 1.00 0.00 N ATOM 665 CA VAL A 46 73.246 46.645 -9.995 1.00 0.00 C ATOM 666 C VAL A 46 74.577 46.306 -9.334 1.00 0.00 C ATOM 667 O VAL A 46 75.473 45.748 -9.968 1.00 0.00 O ATOM 668 CB VAL A 46 73.357 48.025 -10.671 1.00 0.00 C ATOM 669 CG1 VAL A 46 74.516 48.045 -11.656 1.00 0.00 C ATOM 670 CG2 VAL A 46 72.051 48.386 -11.363 1.00 0.00 C ATOM 0 H VAL A 46 71.577 47.454 -9.016 1.00 0.00 H new ATOM 0 HA VAL A 46 73.019 45.895 -10.753 1.00 0.00 H new ATOM 0 HB VAL A 46 73.552 48.773 -9.902 1.00 0.00 H new ATOM 0 HG11 VAL A 46 74.579 49.027 -12.124 1.00 0.00 H new ATOM 0 HG12 VAL A 46 75.446 47.834 -11.128 1.00 0.00 H new ATOM 0 HG13 VAL A 46 74.355 47.288 -12.423 1.00 0.00 H new ATOM 0 HG21 VAL A 46 72.148 49.364 -11.835 1.00 0.00 H new ATOM 0 HG22 VAL A 46 71.822 47.638 -12.122 1.00 0.00 H new ATOM 0 HG23 VAL A 46 71.246 48.416 -10.629 1.00 0.00 H new ATOM 680 N ARG A 47 74.700 46.647 -8.055 1.00 0.00 N ATOM 681 CA ARG A 47 75.923 46.380 -7.307 1.00 0.00 C ATOM 682 C ARG A 47 75.958 44.934 -6.822 1.00 0.00 C ATOM 683 O ARG A 47 77.001 44.282 -6.863 1.00 0.00 O ATOM 684 CB ARG A 47 76.035 47.333 -6.115 1.00 0.00 C ATOM 685 CG ARG A 47 77.468 47.673 -5.741 1.00 0.00 C ATOM 686 CD ARG A 47 77.526 48.554 -4.502 1.00 0.00 C ATOM 687 NE ARG A 47 78.045 49.886 -4.802 1.00 0.00 N ATOM 688 CZ ARG A 47 78.114 50.866 -3.907 1.00 0.00 C ATOM 689 NH1 ARG A 47 77.698 50.664 -2.665 1.00 0.00 N ATOM 690 NH2 ARG A 47 78.599 52.050 -4.256 1.00 0.00 N ATOM 0 H ARG A 47 73.968 47.109 -7.515 1.00 0.00 H new ATOM 0 HA ARG A 47 76.770 46.542 -7.973 1.00 0.00 H new ATOM 0 HB2 ARG A 47 75.500 48.254 -6.346 1.00 0.00 H new ATOM 0 HB3 ARG A 47 75.540 46.884 -5.254 1.00 0.00 H new ATOM 0 HG2 ARG A 47 78.026 46.754 -5.562 1.00 0.00 H new ATOM 0 HG3 ARG A 47 77.952 48.183 -6.574 1.00 0.00 H new ATOM 0 HD2 ARG A 47 76.528 48.642 -4.073 1.00 0.00 H new ATOM 0 HD3 ARG A 47 78.156 48.080 -3.749 1.00 0.00 H new ATOM 0 HE ARG A 47 78.372 50.074 -5.750 1.00 0.00 H new ATOM 0 HH11 ARG A 47 77.324 49.755 -2.394 1.00 0.00 H new ATOM 0 HH12 ARG A 47 77.752 51.418 -1.980 1.00 0.00 H new ATOM 0 HH21 ARG A 47 78.919 52.209 -5.211 1.00 0.00 H new ATOM 0 HH22 ARG A 47 78.652 52.802 -3.569 1.00 0.00 H new ATOM 704 N GLN A 48 74.812 44.441 -6.363 1.00 0.00 N ATOM 705 CA GLN A 48 74.713 43.073 -5.869 1.00 0.00 C ATOM 706 C GLN A 48 74.938 42.070 -6.996 1.00 0.00 C ATOM 707 O GLN A 48 75.709 41.120 -6.850 1.00 0.00 O ATOM 708 CB GLN A 48 73.345 42.838 -5.227 1.00 0.00 C ATOM 709 CG GLN A 48 73.191 43.496 -3.865 1.00 0.00 C ATOM 710 CD GLN A 48 72.467 42.612 -2.869 1.00 0.00 C ATOM 711 OE1 GLN A 48 71.258 42.738 -2.674 1.00 0.00 O ATOM 712 NE2 GLN A 48 73.205 41.711 -2.231 1.00 0.00 N ATOM 0 H GLN A 48 73.940 44.968 -6.323 1.00 0.00 H new ATOM 0 HA GLN A 48 75.489 42.928 -5.117 1.00 0.00 H new ATOM 0 HB2 GLN A 48 72.570 43.216 -5.894 1.00 0.00 H new ATOM 0 HB3 GLN A 48 73.181 41.765 -5.124 1.00 0.00 H new ATOM 0 HG2 GLN A 48 74.177 43.747 -3.473 1.00 0.00 H new ATOM 0 HG3 GLN A 48 72.645 44.433 -3.978 1.00 0.00 H new ATOM 0 HE21 GLN A 48 74.204 41.641 -2.424 1.00 0.00 H new ATOM 0 HE22 GLN A 48 72.773 41.089 -1.548 1.00 0.00 H new ATOM 721 N TRP A 49 74.262 42.286 -8.118 1.00 0.00 N ATOM 722 CA TRP A 49 74.388 41.400 -9.269 1.00 0.00 C ATOM 723 C TRP A 49 75.852 41.204 -9.647 1.00 0.00 C ATOM 724 O TRP A 49 76.263 40.107 -10.029 1.00 0.00 O ATOM 725 CB TRP A 49 73.612 41.965 -10.461 1.00 0.00 C ATOM 726 CG TRP A 49 73.830 41.196 -11.729 1.00 0.00 C ATOM 727 CD1 TRP A 49 73.338 39.959 -12.032 1.00 0.00 C ATOM 728 CD2 TRP A 49 74.597 41.615 -12.863 1.00 0.00 C ATOM 729 NE1 TRP A 49 73.753 39.583 -13.287 1.00 0.00 N ATOM 730 CE2 TRP A 49 74.526 40.581 -13.818 1.00 0.00 C ATOM 731 CE3 TRP A 49 75.334 42.762 -13.166 1.00 0.00 C ATOM 732 CZ2 TRP A 49 75.166 40.663 -15.052 1.00 0.00 C ATOM 733 CZ3 TRP A 49 75.970 42.841 -14.391 1.00 0.00 C ATOM 734 CH2 TRP A 49 75.882 41.798 -15.322 1.00 0.00 C ATOM 0 H TRP A 49 73.621 43.067 -8.255 1.00 0.00 H new ATOM 0 HA TRP A 49 73.969 40.431 -8.998 1.00 0.00 H new ATOM 0 HB2 TRP A 49 72.548 41.968 -10.224 1.00 0.00 H new ATOM 0 HB3 TRP A 49 73.906 43.003 -10.618 1.00 0.00 H new ATOM 0 HD1 TRP A 49 72.715 39.364 -11.381 1.00 0.00 H new ATOM 0 HE1 TRP A 49 73.523 38.703 -13.748 1.00 0.00 H new ATOM 0 HE3 TRP A 49 75.406 43.573 -12.456 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 75.100 39.860 -15.771 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 76.545 43.722 -14.634 1.00 0.00 H new ATOM 0 HH2 TRP A 49 76.389 41.891 -16.271 1.00 0.00 H new ATOM 745 N LEU A 50 76.635 42.271 -9.539 1.00 0.00 N ATOM 746 CA LEU A 50 78.055 42.216 -9.869 1.00 0.00 C ATOM 747 C LEU A 50 78.794 41.263 -8.935 1.00 0.00 C ATOM 748 O LEU A 50 79.391 40.283 -9.378 1.00 0.00 O ATOM 749 CB LEU A 50 78.673 43.612 -9.786 1.00 0.00 C ATOM 750 CG LEU A 50 79.892 43.861 -10.675 1.00 0.00 C ATOM 751 CD1 LEU A 50 79.462 44.115 -12.111 1.00 0.00 C ATOM 752 CD2 LEU A 50 80.708 45.031 -10.146 1.00 0.00 C ATOM 0 H LEU A 50 76.311 43.186 -9.225 1.00 0.00 H new ATOM 0 HA LEU A 50 78.152 41.844 -10.889 1.00 0.00 H new ATOM 0 HB2 LEU A 50 77.906 44.343 -10.043 1.00 0.00 H new ATOM 0 HB3 LEU A 50 78.959 43.800 -8.751 1.00 0.00 H new ATOM 0 HG LEU A 50 80.519 42.969 -10.657 1.00 0.00 H new ATOM 0 HD11 LEU A 50 80.343 44.290 -12.729 1.00 0.00 H new ATOM 0 HD12 LEU A 50 78.921 43.247 -12.488 1.00 0.00 H new ATOM 0 HD13 LEU A 50 78.813 44.990 -12.147 1.00 0.00 H new ATOM 0 HD21 LEU A 50 81.571 45.194 -10.791 1.00 0.00 H new ATOM 0 HD22 LEU A 50 80.090 45.929 -10.133 1.00 0.00 H new ATOM 0 HD23 LEU A 50 81.048 44.810 -9.134 1.00 0.00 H new ATOM 764 N GLU A 51 78.748 41.559 -7.639 1.00 0.00 N ATOM 765 CA GLU A 51 79.413 40.727 -6.643 1.00 0.00 C ATOM 766 C GLU A 51 78.909 39.288 -6.711 1.00 0.00 C ATOM 767 O GLU A 51 79.665 38.343 -6.486 1.00 0.00 O ATOM 768 CB GLU A 51 79.185 41.293 -5.240 1.00 0.00 C ATOM 769 CG GLU A 51 80.282 42.238 -4.779 1.00 0.00 C ATOM 770 CD GLU A 51 80.656 42.033 -3.324 1.00 0.00 C ATOM 771 OE1 GLU A 51 79.811 41.520 -2.561 1.00 0.00 O ATOM 772 OE2 GLU A 51 81.794 42.385 -2.949 1.00 0.00 O ATOM 0 H GLU A 51 78.258 42.367 -7.255 1.00 0.00 H new ATOM 0 HA GLU A 51 80.481 40.730 -6.859 1.00 0.00 H new ATOM 0 HB2 GLU A 51 78.231 41.820 -5.221 1.00 0.00 H new ATOM 0 HB3 GLU A 51 79.107 40.467 -4.533 1.00 0.00 H new ATOM 0 HG2 GLU A 51 81.165 42.094 -5.401 1.00 0.00 H new ATOM 0 HG3 GLU A 51 79.954 43.267 -4.924 1.00 0.00 H new ATOM 779 N TRP A 52 77.627 39.131 -7.022 1.00 0.00 N ATOM 780 CA TRP A 52 77.021 37.808 -7.118 1.00 0.00 C ATOM 781 C TRP A 52 77.646 37.005 -8.253 1.00 0.00 C ATOM 782 O TRP A 52 78.089 35.874 -8.054 1.00 0.00 O ATOM 783 CB TRP A 52 75.512 37.931 -7.335 1.00 0.00 C ATOM 784 CG TRP A 52 74.809 36.608 -7.381 1.00 0.00 C ATOM 785 CD1 TRP A 52 74.252 35.939 -6.328 1.00 0.00 C ATOM 786 CD2 TRP A 52 74.590 35.793 -8.537 1.00 0.00 C ATOM 787 NE1 TRP A 52 73.700 34.757 -6.761 1.00 0.00 N ATOM 788 CE2 TRP A 52 73.893 34.645 -8.112 1.00 0.00 C ATOM 789 CE3 TRP A 52 74.912 35.923 -9.891 1.00 0.00 C ATOM 790 CZ2 TRP A 52 73.516 33.635 -8.993 1.00 0.00 C ATOM 791 CZ3 TRP A 52 74.537 34.919 -10.764 1.00 0.00 C ATOM 792 CH2 TRP A 52 73.845 33.788 -10.313 1.00 0.00 C ATOM 0 H TRP A 52 76.988 39.903 -7.212 1.00 0.00 H new ATOM 0 HA TRP A 52 77.205 37.282 -6.181 1.00 0.00 H new ATOM 0 HB2 TRP A 52 75.085 38.534 -6.534 1.00 0.00 H new ATOM 0 HB3 TRP A 52 75.329 38.465 -8.268 1.00 0.00 H new ATOM 0 HD1 TRP A 52 74.246 36.288 -5.306 1.00 0.00 H new ATOM 0 HE1 TRP A 52 73.224 34.074 -6.172 1.00 0.00 H new ATOM 0 HE3 TRP A 52 75.444 36.792 -10.249 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 72.983 32.762 -8.647 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 74.782 35.008 -11.812 1.00 0.00 H new ATOM 0 HH2 TRP A 52 73.565 33.021 -11.021 1.00 0.00 H new ATOM 803 N ALA A 53 77.680 37.596 -9.443 1.00 0.00 N ATOM 804 CA ALA A 53 78.254 36.935 -10.608 1.00 0.00 C ATOM 805 C ALA A 53 79.705 36.539 -10.356 1.00 0.00 C ATOM 806 O ALA A 53 80.083 35.381 -10.539 1.00 0.00 O ATOM 807 CB ALA A 53 78.157 37.839 -11.829 1.00 0.00 C ATOM 0 H ALA A 53 77.317 38.531 -9.625 1.00 0.00 H new ATOM 0 HA ALA A 53 77.684 36.025 -10.796 1.00 0.00 H new ATOM 0 HB1 ALA A 53 78.590 37.333 -12.692 1.00 0.00 H new ATOM 0 HB2 ALA A 53 77.110 38.068 -12.030 1.00 0.00 H new ATOM 0 HB3 ALA A 53 78.701 38.764 -11.641 1.00 0.00 H new ATOM 813 N ILE A 54 80.513 37.506 -9.936 1.00 0.00 N ATOM 814 CA ILE A 54 81.922 37.257 -9.658 1.00 0.00 C ATOM 815 C ILE A 54 82.092 36.125 -8.651 1.00 0.00 C ATOM 816 O ILE A 54 83.114 35.438 -8.638 1.00 0.00 O ATOM 817 CB ILE A 54 82.622 38.519 -9.119 1.00 0.00 C ATOM 818 CG1 ILE A 54 82.476 39.673 -10.112 1.00 0.00 C ATOM 819 CG2 ILE A 54 84.090 38.233 -8.842 1.00 0.00 C ATOM 820 CD1 ILE A 54 82.863 41.018 -9.537 1.00 0.00 C ATOM 0 H ILE A 54 80.216 38.469 -9.781 1.00 0.00 H new ATOM 0 HA ILE A 54 82.384 36.972 -10.603 1.00 0.00 H new ATOM 0 HB ILE A 54 82.146 38.809 -8.182 1.00 0.00 H new ATOM 0 HG12 ILE A 54 83.094 39.469 -10.987 1.00 0.00 H new ATOM 0 HG13 ILE A 54 81.442 39.718 -10.455 1.00 0.00 H new ATOM 0 HG21 ILE A 54 84.571 39.134 -8.462 1.00 0.00 H new ATOM 0 HG22 ILE A 54 84.172 37.438 -8.101 1.00 0.00 H new ATOM 0 HG23 ILE A 54 84.580 37.922 -9.764 1.00 0.00 H new ATOM 0 HD11 ILE A 54 82.735 41.789 -10.297 1.00 0.00 H new ATOM 0 HD12 ILE A 54 82.228 41.244 -8.680 1.00 0.00 H new ATOM 0 HD13 ILE A 54 83.905 40.992 -9.219 1.00 0.00 H new ATOM 832 N LYS A 55 81.083 35.935 -7.807 1.00 0.00 N ATOM 833 CA LYS A 55 81.118 34.884 -6.797 1.00 0.00 C ATOM 834 C LYS A 55 80.752 33.533 -7.404 1.00 0.00 C ATOM 835 O LYS A 55 81.574 32.618 -7.443 1.00 0.00 O ATOM 836 CB LYS A 55 80.158 35.217 -5.652 1.00 0.00 C ATOM 837 CG LYS A 55 80.845 35.818 -4.438 1.00 0.00 C ATOM 838 CD LYS A 55 80.270 35.270 -3.143 1.00 0.00 C ATOM 839 CE LYS A 55 81.355 35.046 -2.101 1.00 0.00 C ATOM 840 NZ LYS A 55 81.439 36.177 -1.136 1.00 0.00 N ATOM 0 H LYS A 55 80.231 36.496 -7.803 1.00 0.00 H new ATOM 0 HA LYS A 55 82.134 34.824 -6.406 1.00 0.00 H new ATOM 0 HB2 LYS A 55 79.402 35.914 -6.014 1.00 0.00 H new ATOM 0 HB3 LYS A 55 79.636 34.309 -5.351 1.00 0.00 H new ATOM 0 HG2 LYS A 55 81.913 35.606 -4.481 1.00 0.00 H new ATOM 0 HG3 LYS A 55 80.734 36.902 -4.456 1.00 0.00 H new ATOM 0 HD2 LYS A 55 79.526 35.964 -2.752 1.00 0.00 H new ATOM 0 HD3 LYS A 55 79.755 34.330 -3.341 1.00 0.00 H new ATOM 0 HE2 LYS A 55 81.154 34.121 -1.560 1.00 0.00 H new ATOM 0 HE3 LYS A 55 82.317 34.921 -2.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 82.190 35.986 -0.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 81.656 37.055 -1.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 80.530 36.280 -0.642 1.00 0.00 H new ATOM 854 N GLU A 56 79.515 33.418 -7.877 1.00 0.00 N ATOM 855 CA GLU A 56 79.043 32.178 -8.483 1.00 0.00 C ATOM 856 C GLU A 56 79.975 31.732 -9.607 1.00 0.00 C ATOM 857 O GLU A 56 80.582 30.664 -9.536 1.00 0.00 O ATOM 858 CB GLU A 56 77.623 32.358 -9.025 1.00 0.00 C ATOM 859 CG GLU A 56 76.819 31.069 -9.064 1.00 0.00 C ATOM 860 CD GLU A 56 77.521 29.967 -9.833 1.00 0.00 C ATOM 861 OE1 GLU A 56 78.296 29.211 -9.210 1.00 0.00 O ATOM 862 OE2 GLU A 56 77.296 29.860 -11.056 1.00 0.00 O ATOM 0 H GLU A 56 78.823 34.167 -7.852 1.00 0.00 H new ATOM 0 HA GLU A 56 79.036 31.407 -7.713 1.00 0.00 H new ATOM 0 HB2 GLU A 56 77.097 33.086 -8.407 1.00 0.00 H new ATOM 0 HB3 GLU A 56 77.677 32.773 -10.031 1.00 0.00 H new ATOM 0 HG2 GLU A 56 76.630 30.732 -8.045 1.00 0.00 H new ATOM 0 HG3 GLU A 56 75.849 31.264 -9.520 1.00 0.00 H new ATOM 869 N TYR A 57 80.081 32.558 -10.642 1.00 0.00 N ATOM 870 CA TYR A 57 80.936 32.248 -11.781 1.00 0.00 C ATOM 871 C TYR A 57 82.394 32.123 -11.351 1.00 0.00 C ATOM 872 O TYR A 57 83.184 31.427 -11.989 1.00 0.00 O ATOM 873 CB TYR A 57 80.801 33.329 -12.856 1.00 0.00 C ATOM 874 CG TYR A 57 79.469 33.307 -13.572 1.00 0.00 C ATOM 875 CD1 TYR A 57 78.332 33.844 -12.982 1.00 0.00 C ATOM 876 CD2 TYR A 57 79.349 32.750 -14.839 1.00 0.00 C ATOM 877 CE1 TYR A 57 77.114 33.826 -13.633 1.00 0.00 C ATOM 878 CE2 TYR A 57 78.135 32.728 -15.498 1.00 0.00 C ATOM 879 CZ TYR A 57 77.020 33.267 -14.891 1.00 0.00 C ATOM 880 OH TYR A 57 75.809 33.248 -15.543 1.00 0.00 O ATOM 0 H TYR A 57 79.586 33.447 -10.715 1.00 0.00 H new ATOM 0 HA TYR A 57 80.615 31.292 -12.193 1.00 0.00 H new ATOM 0 HB2 TYR A 57 80.941 34.307 -12.396 1.00 0.00 H new ATOM 0 HB3 TYR A 57 81.599 33.204 -13.587 1.00 0.00 H new ATOM 0 HD1 TYR A 57 78.401 34.283 -11.998 1.00 0.00 H new ATOM 0 HD2 TYR A 57 80.220 32.327 -15.317 1.00 0.00 H new ATOM 0 HE1 TYR A 57 76.239 34.247 -13.160 1.00 0.00 H new ATOM 0 HE2 TYR A 57 78.059 32.291 -16.483 1.00 0.00 H new ATOM 0 HH TYR A 57 75.915 32.820 -16.418 1.00 0.00 H new ATOM 890 N SER A 58 82.744 32.802 -10.263 1.00 0.00 N ATOM 891 CA SER A 58 84.107 32.771 -9.747 1.00 0.00 C ATOM 892 C SER A 58 85.083 33.369 -10.756 1.00 0.00 C ATOM 893 O SER A 58 86.036 32.713 -11.179 1.00 0.00 O ATOM 894 CB SER A 58 84.516 31.335 -9.414 1.00 0.00 C ATOM 895 OG SER A 58 85.538 31.311 -8.432 1.00 0.00 O ATOM 0 H SER A 58 82.102 33.381 -9.722 1.00 0.00 H new ATOM 0 HA SER A 58 84.139 33.370 -8.837 1.00 0.00 H new ATOM 0 HB2 SER A 58 83.649 30.780 -9.055 1.00 0.00 H new ATOM 0 HB3 SER A 58 84.863 30.834 -10.317 1.00 0.00 H new ATOM 0 HG SER A 58 85.781 30.382 -8.235 1.00 0.00 H new ATOM 901 N LEU A 59 84.839 34.618 -11.137 1.00 0.00 N ATOM 902 CA LEU A 59 85.696 35.306 -12.097 1.00 0.00 C ATOM 903 C LEU A 59 86.937 35.870 -11.412 1.00 0.00 C ATOM 904 O LEU A 59 87.139 35.675 -10.214 1.00 0.00 O ATOM 905 CB LEU A 59 84.923 36.433 -12.784 1.00 0.00 C ATOM 906 CG LEU A 59 83.517 36.081 -13.272 1.00 0.00 C ATOM 907 CD1 LEU A 59 82.719 37.344 -13.555 1.00 0.00 C ATOM 908 CD2 LEU A 59 83.587 35.203 -14.513 1.00 0.00 C ATOM 0 H LEU A 59 84.055 35.175 -10.796 1.00 0.00 H new ATOM 0 HA LEU A 59 86.014 34.582 -12.847 1.00 0.00 H new ATOM 0 HB2 LEU A 59 84.846 37.270 -12.090 1.00 0.00 H new ATOM 0 HB3 LEU A 59 85.506 36.779 -13.637 1.00 0.00 H new ATOM 0 HG LEU A 59 83.009 35.523 -12.485 1.00 0.00 H new ATOM 0 HD11 LEU A 59 81.721 37.074 -13.901 1.00 0.00 H new ATOM 0 HD12 LEU A 59 82.639 37.936 -12.643 1.00 0.00 H new ATOM 0 HD13 LEU A 59 83.224 37.929 -14.324 1.00 0.00 H new ATOM 0 HD21 LEU A 59 82.577 34.963 -14.846 1.00 0.00 H new ATOM 0 HD22 LEU A 59 84.114 35.735 -15.306 1.00 0.00 H new ATOM 0 HD23 LEU A 59 84.120 34.282 -14.278 1.00 0.00 H new ATOM 920 N MET A 60 87.763 36.571 -12.181 1.00 0.00 N ATOM 921 CA MET A 60 88.983 37.167 -11.647 1.00 0.00 C ATOM 922 C MET A 60 89.351 38.433 -12.415 1.00 0.00 C ATOM 923 O MET A 60 89.331 38.450 -13.645 1.00 0.00 O ATOM 924 CB MET A 60 90.136 36.164 -11.712 1.00 0.00 C ATOM 925 CG MET A 60 90.427 35.662 -13.117 1.00 0.00 C ATOM 926 SD MET A 60 90.798 33.898 -13.161 1.00 0.00 S ATOM 927 CE MET A 60 89.770 33.370 -14.530 1.00 0.00 C ATOM 0 H MET A 60 87.611 36.741 -13.175 1.00 0.00 H new ATOM 0 HA MET A 60 88.802 37.435 -10.606 1.00 0.00 H new ATOM 0 HB2 MET A 60 91.035 36.630 -11.308 1.00 0.00 H new ATOM 0 HB3 MET A 60 89.903 35.313 -11.072 1.00 0.00 H new ATOM 0 HG2 MET A 60 89.568 35.865 -13.756 1.00 0.00 H new ATOM 0 HG3 MET A 60 91.269 36.217 -13.530 1.00 0.00 H new ATOM 0 HE1 MET A 60 89.890 32.297 -14.683 1.00 0.00 H new ATOM 0 HE2 MET A 60 88.726 33.590 -14.307 1.00 0.00 H new ATOM 0 HE3 MET A 60 90.068 33.901 -15.434 1.00 0.00 H new ATOM 937 N GLU A 61 89.685 39.489 -11.680 1.00 0.00 N ATOM 938 CA GLU A 61 90.056 40.759 -12.293 1.00 0.00 C ATOM 939 C GLU A 61 88.893 41.336 -13.094 1.00 0.00 C ATOM 940 O GLU A 61 88.671 40.959 -14.245 1.00 0.00 O ATOM 941 CB GLU A 61 91.274 40.575 -13.201 1.00 0.00 C ATOM 942 CG GLU A 61 92.436 39.867 -12.525 1.00 0.00 C ATOM 943 CD GLU A 61 93.749 40.073 -13.255 1.00 0.00 C ATOM 944 OE1 GLU A 61 93.786 40.906 -14.185 1.00 0.00 O ATOM 945 OE2 GLU A 61 94.739 39.401 -12.897 1.00 0.00 O ATOM 0 H GLU A 61 89.706 39.490 -10.660 1.00 0.00 H new ATOM 0 HA GLU A 61 90.308 41.459 -11.496 1.00 0.00 H new ATOM 0 HB2 GLU A 61 90.977 40.007 -14.083 1.00 0.00 H new ATOM 0 HB3 GLU A 61 91.608 41.552 -13.549 1.00 0.00 H new ATOM 0 HG2 GLU A 61 92.532 40.231 -11.502 1.00 0.00 H new ATOM 0 HG3 GLU A 61 92.221 38.800 -12.465 1.00 0.00 H new ATOM 952 N ILE A 62 88.155 42.252 -12.477 1.00 0.00 N ATOM 953 CA ILE A 62 87.015 42.882 -13.132 1.00 0.00 C ATOM 954 C ILE A 62 86.737 44.262 -12.546 1.00 0.00 C ATOM 955 O ILE A 62 86.894 44.480 -11.344 1.00 0.00 O ATOM 956 CB ILE A 62 85.746 42.018 -13.007 1.00 0.00 C ATOM 957 CG1 ILE A 62 84.630 42.583 -13.888 1.00 0.00 C ATOM 958 CG2 ILE A 62 85.296 41.944 -11.556 1.00 0.00 C ATOM 959 CD1 ILE A 62 83.427 41.672 -13.998 1.00 0.00 C ATOM 0 H ILE A 62 88.326 42.575 -11.525 1.00 0.00 H new ATOM 0 HA ILE A 62 87.273 42.983 -14.186 1.00 0.00 H new ATOM 0 HB ILE A 62 85.977 41.008 -13.347 1.00 0.00 H new ATOM 0 HG12 ILE A 62 84.312 43.545 -13.485 1.00 0.00 H new ATOM 0 HG13 ILE A 62 85.026 42.771 -14.886 1.00 0.00 H new ATOM 0 HG21 ILE A 62 84.398 41.330 -11.484 1.00 0.00 H new ATOM 0 HG22 ILE A 62 86.088 41.501 -10.952 1.00 0.00 H new ATOM 0 HG23 ILE A 62 85.079 42.948 -11.191 1.00 0.00 H new ATOM 0 HD11 ILE A 62 82.676 42.136 -14.637 1.00 0.00 H new ATOM 0 HD12 ILE A 62 83.731 40.718 -14.429 1.00 0.00 H new ATOM 0 HD13 ILE A 62 83.006 41.504 -13.007 1.00 0.00 H new ATOM 971 N ASP A 63 86.323 45.190 -13.402 1.00 0.00 N ATOM 972 CA ASP A 63 86.020 46.549 -12.968 1.00 0.00 C ATOM 973 C ASP A 63 84.816 46.565 -12.031 1.00 0.00 C ATOM 974 O ASP A 63 83.830 45.863 -12.257 1.00 0.00 O ATOM 975 CB ASP A 63 85.752 47.445 -14.179 1.00 0.00 C ATOM 976 CG ASP A 63 86.765 48.565 -14.305 1.00 0.00 C ATOM 977 OD1 ASP A 63 86.894 49.358 -13.350 1.00 0.00 O ATOM 978 OD2 ASP A 63 87.428 48.649 -15.361 1.00 0.00 O ATOM 0 H ASP A 63 86.190 45.026 -14.400 1.00 0.00 H new ATOM 0 HA ASP A 63 86.884 46.933 -12.426 1.00 0.00 H new ATOM 0 HB2 ASP A 63 85.769 46.840 -15.086 1.00 0.00 H new ATOM 0 HB3 ASP A 63 84.752 47.871 -14.098 1.00 0.00 H new ATOM 983 N THR A 64 84.904 47.370 -10.977 1.00 0.00 N ATOM 984 CA THR A 64 83.825 47.475 -10.004 1.00 0.00 C ATOM 985 C THR A 64 83.326 48.911 -9.890 1.00 0.00 C ATOM 986 O THR A 64 82.137 49.151 -9.681 1.00 0.00 O ATOM 987 CB THR A 64 84.272 46.987 -8.613 1.00 0.00 C ATOM 988 OG1 THR A 64 85.696 47.082 -8.495 1.00 0.00 O ATOM 989 CG2 THR A 64 83.833 45.550 -8.377 1.00 0.00 C ATOM 0 H THR A 64 85.712 47.959 -10.776 1.00 0.00 H new ATOM 0 HA THR A 64 83.015 46.838 -10.361 1.00 0.00 H new ATOM 0 HB THR A 64 83.803 47.621 -7.861 1.00 0.00 H new ATOM 0 HG1 THR A 64 85.972 46.772 -7.607 1.00 0.00 H new ATOM 0 HG21 THR A 64 84.160 45.227 -7.388 1.00 0.00 H new ATOM 0 HG22 THR A 64 82.747 45.487 -8.439 1.00 0.00 H new ATOM 0 HG23 THR A 64 84.278 44.905 -9.135 1.00 0.00 H new ATOM 997 N SER A 65 84.243 49.864 -10.028 1.00 0.00 N ATOM 998 CA SER A 65 83.896 51.277 -9.937 1.00 0.00 C ATOM 999 C SER A 65 82.849 51.648 -10.982 1.00 0.00 C ATOM 1000 O SER A 65 81.927 52.417 -10.709 1.00 0.00 O ATOM 1001 CB SER A 65 85.144 52.143 -10.120 1.00 0.00 C ATOM 1002 OG SER A 65 84.801 53.513 -10.241 1.00 0.00 O ATOM 0 H SER A 65 85.231 49.683 -10.203 1.00 0.00 H new ATOM 0 HA SER A 65 83.477 51.460 -8.947 1.00 0.00 H new ATOM 0 HB2 SER A 65 85.813 52.006 -9.271 1.00 0.00 H new ATOM 0 HB3 SER A 65 85.687 51.821 -11.009 1.00 0.00 H new ATOM 0 HG SER A 65 85.616 54.045 -10.355 1.00 0.00 H new ATOM 1008 N PHE A 66 82.998 51.096 -12.182 1.00 0.00 N ATOM 1009 CA PHE A 66 82.066 51.368 -13.270 1.00 0.00 C ATOM 1010 C PHE A 66 80.634 51.045 -12.854 1.00 0.00 C ATOM 1011 O PHE A 66 79.680 51.637 -13.360 1.00 0.00 O ATOM 1012 CB PHE A 66 82.444 50.554 -14.509 1.00 0.00 C ATOM 1013 CG PHE A 66 82.379 51.342 -15.787 1.00 0.00 C ATOM 1014 CD1 PHE A 66 83.250 52.395 -16.012 1.00 0.00 C ATOM 1015 CD2 PHE A 66 81.447 51.028 -16.763 1.00 0.00 C ATOM 1016 CE1 PHE A 66 83.192 53.122 -17.186 1.00 0.00 C ATOM 1017 CE2 PHE A 66 81.384 51.751 -17.939 1.00 0.00 C ATOM 1018 CZ PHE A 66 82.259 52.799 -18.151 1.00 0.00 C ATOM 0 H PHE A 66 83.755 50.458 -12.425 1.00 0.00 H new ATOM 0 HA PHE A 66 82.126 52.430 -13.508 1.00 0.00 H new ATOM 0 HB2 PHE A 66 83.454 50.164 -14.383 1.00 0.00 H new ATOM 0 HB3 PHE A 66 81.778 49.695 -14.587 1.00 0.00 H new ATOM 0 HD1 PHE A 66 83.983 52.651 -15.261 1.00 0.00 H new ATOM 0 HD2 PHE A 66 80.762 50.209 -16.603 1.00 0.00 H new ATOM 0 HE1 PHE A 66 83.876 53.942 -17.348 1.00 0.00 H new ATOM 0 HE2 PHE A 66 80.652 51.497 -18.691 1.00 0.00 H new ATOM 0 HZ PHE A 66 82.213 53.365 -19.070 1.00 0.00 H new ATOM 1028 N PHE A 67 80.491 50.102 -11.929 1.00 0.00 N ATOM 1029 CA PHE A 67 79.176 49.699 -11.444 1.00 0.00 C ATOM 1030 C PHE A 67 78.940 50.207 -10.025 1.00 0.00 C ATOM 1031 O PHE A 67 78.170 49.620 -9.266 1.00 0.00 O ATOM 1032 CB PHE A 67 79.041 48.175 -11.482 1.00 0.00 C ATOM 1033 CG PHE A 67 79.488 47.565 -12.779 1.00 0.00 C ATOM 1034 CD1 PHE A 67 78.666 47.597 -13.894 1.00 0.00 C ATOM 1035 CD2 PHE A 67 80.729 46.960 -12.884 1.00 0.00 C ATOM 1036 CE1 PHE A 67 79.074 47.037 -15.090 1.00 0.00 C ATOM 1037 CE2 PHE A 67 81.143 46.398 -14.078 1.00 0.00 C ATOM 1038 CZ PHE A 67 80.314 46.436 -15.182 1.00 0.00 C ATOM 0 H PHE A 67 81.270 49.602 -11.500 1.00 0.00 H new ATOM 0 HA PHE A 67 78.424 50.140 -12.098 1.00 0.00 H new ATOM 0 HB2 PHE A 67 79.625 47.746 -10.668 1.00 0.00 H new ATOM 0 HB3 PHE A 67 78.000 47.906 -11.303 1.00 0.00 H new ATOM 0 HD1 PHE A 67 77.695 48.065 -13.828 1.00 0.00 H new ATOM 0 HD2 PHE A 67 81.381 46.927 -12.024 1.00 0.00 H new ATOM 0 HE1 PHE A 67 78.424 47.069 -15.952 1.00 0.00 H new ATOM 0 HE2 PHE A 67 82.114 45.930 -14.147 1.00 0.00 H new ATOM 0 HZ PHE A 67 80.635 45.997 -16.115 1.00 0.00 H new ATOM 1048 N GLN A 68 79.608 51.302 -9.676 1.00 0.00 N ATOM 1049 CA GLN A 68 79.472 51.888 -8.348 1.00 0.00 C ATOM 1050 C GLN A 68 78.108 52.550 -8.183 1.00 0.00 C ATOM 1051 O GLN A 68 77.576 52.630 -7.076 1.00 0.00 O ATOM 1052 CB GLN A 68 80.582 52.912 -8.104 1.00 0.00 C ATOM 1053 CG GLN A 68 80.441 54.173 -8.941 1.00 0.00 C ATOM 1054 CD GLN A 68 79.573 55.223 -8.275 1.00 0.00 C ATOM 1055 OE1 GLN A 68 79.263 55.126 -7.087 1.00 0.00 O ATOM 1056 NE2 GLN A 68 79.175 56.234 -9.039 1.00 0.00 N ATOM 0 H GLN A 68 80.248 51.801 -10.294 1.00 0.00 H new ATOM 0 HA GLN A 68 79.558 51.087 -7.614 1.00 0.00 H new ATOM 0 HB2 GLN A 68 80.587 53.185 -7.049 1.00 0.00 H new ATOM 0 HB3 GLN A 68 81.545 52.449 -8.319 1.00 0.00 H new ATOM 0 HG2 GLN A 68 81.430 54.591 -9.130 1.00 0.00 H new ATOM 0 HG3 GLN A 68 80.013 53.915 -9.910 1.00 0.00 H new ATOM 0 HE21 GLN A 68 79.456 56.274 -10.019 1.00 0.00 H new ATOM 0 HE22 GLN A 68 78.589 56.970 -8.646 1.00 0.00 H new ATOM 1065 N ASN A 69 77.547 53.024 -9.291 1.00 0.00 N ATOM 1066 CA ASN A 69 76.245 53.680 -9.268 1.00 0.00 C ATOM 1067 C ASN A 69 75.712 53.881 -10.684 1.00 0.00 C ATOM 1068 O ASN A 69 75.723 54.993 -11.210 1.00 0.00 O ATOM 1069 CB ASN A 69 76.342 55.028 -8.552 1.00 0.00 C ATOM 1070 CG ASN A 69 74.996 55.516 -8.053 1.00 0.00 C ATOM 1071 OD1 ASN A 69 74.416 54.940 -7.132 1.00 0.00 O ATOM 1072 ND2 ASN A 69 74.491 56.584 -8.661 1.00 0.00 N ATOM 0 H ASN A 69 77.974 52.966 -10.216 1.00 0.00 H new ATOM 0 HA ASN A 69 75.552 53.037 -8.725 1.00 0.00 H new ATOM 0 HB2 ASN A 69 77.029 54.940 -7.710 1.00 0.00 H new ATOM 0 HB3 ASN A 69 76.764 55.768 -9.232 1.00 0.00 H new ATOM 0 HD21 ASN A 69 73.588 56.958 -8.369 1.00 0.00 H new ATOM 0 HD22 ASN A 69 75.006 57.030 -9.420 1.00 0.00 H new ATOM 1079 N MET A 70 75.246 52.796 -11.294 1.00 0.00 N ATOM 1080 CA MET A 70 74.707 52.854 -12.648 1.00 0.00 C ATOM 1081 C MET A 70 73.296 52.276 -12.697 1.00 0.00 C ATOM 1082 O MET A 70 72.979 51.326 -11.981 1.00 0.00 O ATOM 1083 CB MET A 70 75.616 52.092 -13.614 1.00 0.00 C ATOM 1084 CG MET A 70 75.133 52.123 -15.055 1.00 0.00 C ATOM 1085 SD MET A 70 76.445 52.542 -16.219 1.00 0.00 S ATOM 1086 CE MET A 70 77.312 50.978 -16.328 1.00 0.00 C ATOM 0 H MET A 70 75.231 51.867 -10.873 1.00 0.00 H new ATOM 0 HA MET A 70 74.663 53.900 -12.950 1.00 0.00 H new ATOM 0 HB2 MET A 70 76.619 52.515 -13.566 1.00 0.00 H new ATOM 0 HB3 MET A 70 75.692 51.055 -13.287 1.00 0.00 H new ATOM 0 HG2 MET A 70 74.718 51.149 -15.316 1.00 0.00 H new ATOM 0 HG3 MET A 70 74.325 52.849 -15.148 1.00 0.00 H new ATOM 0 HE1 MET A 70 78.326 51.149 -16.689 1.00 0.00 H new ATOM 0 HE2 MET A 70 77.351 50.514 -15.342 1.00 0.00 H new ATOM 0 HE3 MET A 70 76.787 50.318 -17.019 1.00 0.00 H new ATOM 1096 N ASP A 71 72.453 52.857 -13.544 1.00 0.00 N ATOM 1097 CA ASP A 71 71.076 52.399 -13.686 1.00 0.00 C ATOM 1098 C ASP A 71 71.013 51.109 -14.499 1.00 0.00 C ATOM 1099 O ASP A 71 71.686 50.973 -15.520 1.00 0.00 O ATOM 1100 CB ASP A 71 70.224 53.479 -14.354 1.00 0.00 C ATOM 1101 CG ASP A 71 70.568 54.872 -13.867 1.00 0.00 C ATOM 1102 OD1 ASP A 71 70.520 55.101 -12.640 1.00 0.00 O ATOM 1103 OD2 ASP A 71 70.887 55.734 -14.712 1.00 0.00 O ATOM 0 H ASP A 71 72.699 53.646 -14.142 1.00 0.00 H new ATOM 0 HA ASP A 71 70.681 52.199 -12.690 1.00 0.00 H new ATOM 0 HB2 ASP A 71 70.363 53.430 -15.434 1.00 0.00 H new ATOM 0 HB3 ASP A 71 69.170 53.279 -14.159 1.00 0.00 H new ATOM 1108 N GLY A 72 70.201 50.163 -14.036 1.00 0.00 N ATOM 1109 CA GLY A 72 70.067 48.896 -14.731 1.00 0.00 C ATOM 1110 C GLY A 72 69.703 49.072 -16.192 1.00 0.00 C ATOM 1111 O GLY A 72 70.021 48.223 -17.025 1.00 0.00 O ATOM 0 H GLY A 72 69.634 50.252 -13.193 1.00 0.00 H new ATOM 0 HA2 GLY A 72 71.004 48.344 -14.657 1.00 0.00 H new ATOM 0 HA3 GLY A 72 69.303 48.294 -14.239 1.00 0.00 H new ATOM 1115 N LYS A 73 69.033 50.176 -16.505 1.00 0.00 N ATOM 1116 CA LYS A 73 68.625 50.461 -17.875 1.00 0.00 C ATOM 1117 C LYS A 73 69.838 50.725 -18.760 1.00 0.00 C ATOM 1118 O LYS A 73 69.814 50.451 -19.960 1.00 0.00 O ATOM 1119 CB LYS A 73 67.684 51.668 -17.908 1.00 0.00 C ATOM 1120 CG LYS A 73 66.281 51.332 -18.384 1.00 0.00 C ATOM 1121 CD LYS A 73 65.694 52.454 -19.223 1.00 0.00 C ATOM 1122 CE LYS A 73 65.440 52.006 -20.654 1.00 0.00 C ATOM 1123 NZ LYS A 73 65.392 53.158 -21.597 1.00 0.00 N ATOM 0 H LYS A 73 68.761 50.888 -15.828 1.00 0.00 H new ATOM 0 HA LYS A 73 68.099 49.587 -18.260 1.00 0.00 H new ATOM 0 HB2 LYS A 73 67.626 52.100 -16.909 1.00 0.00 H new ATOM 0 HB3 LYS A 73 68.108 52.431 -18.561 1.00 0.00 H new ATOM 0 HG2 LYS A 73 66.305 50.413 -18.969 1.00 0.00 H new ATOM 0 HG3 LYS A 73 65.639 51.145 -17.523 1.00 0.00 H new ATOM 0 HD2 LYS A 73 64.760 52.794 -18.776 1.00 0.00 H new ATOM 0 HD3 LYS A 73 66.375 53.305 -19.223 1.00 0.00 H new ATOM 0 HE2 LYS A 73 66.225 51.316 -20.963 1.00 0.00 H new ATOM 0 HE3 LYS A 73 64.499 51.459 -20.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 65.217 52.810 -22.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 64.626 53.804 -21.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 66.299 53.666 -21.571 1.00 0.00 H new ATOM 1137 N GLU A 74 70.899 51.258 -18.160 1.00 0.00 N ATOM 1138 CA GLU A 74 72.121 51.558 -18.896 1.00 0.00 C ATOM 1139 C GLU A 74 72.904 50.282 -19.194 1.00 0.00 C ATOM 1140 O GLU A 74 73.555 50.168 -20.233 1.00 0.00 O ATOM 1141 CB GLU A 74 72.995 52.531 -18.102 1.00 0.00 C ATOM 1142 CG GLU A 74 73.068 53.920 -18.713 1.00 0.00 C ATOM 1143 CD GLU A 74 73.794 54.911 -17.824 1.00 0.00 C ATOM 1144 OE1 GLU A 74 73.568 54.882 -16.596 1.00 0.00 O ATOM 1145 OE2 GLU A 74 74.587 55.716 -18.356 1.00 0.00 O ATOM 0 H GLU A 74 70.936 51.490 -17.168 1.00 0.00 H new ATOM 0 HA GLU A 74 71.840 52.021 -19.842 1.00 0.00 H new ATOM 0 HB2 GLU A 74 72.606 52.610 -17.087 1.00 0.00 H new ATOM 0 HB3 GLU A 74 74.003 52.123 -18.027 1.00 0.00 H new ATOM 0 HG2 GLU A 74 73.575 53.863 -19.676 1.00 0.00 H new ATOM 0 HG3 GLU A 74 72.058 54.282 -18.905 1.00 0.00 H new ATOM 1152 N LEU A 75 72.836 49.325 -18.275 1.00 0.00 N ATOM 1153 CA LEU A 75 73.538 48.057 -18.437 1.00 0.00 C ATOM 1154 C LEU A 75 73.166 47.394 -19.760 1.00 0.00 C ATOM 1155 O LEU A 75 74.008 47.240 -20.646 1.00 0.00 O ATOM 1156 CB LEU A 75 73.211 47.118 -17.275 1.00 0.00 C ATOM 1157 CG LEU A 75 74.254 47.043 -16.159 1.00 0.00 C ATOM 1158 CD1 LEU A 75 74.545 48.430 -15.606 1.00 0.00 C ATOM 1159 CD2 LEU A 75 73.783 46.113 -15.050 1.00 0.00 C ATOM 0 H LEU A 75 72.302 49.403 -17.410 1.00 0.00 H new ATOM 0 HA LEU A 75 74.609 48.261 -18.441 1.00 0.00 H new ATOM 0 HB2 LEU A 75 72.262 47.430 -16.838 1.00 0.00 H new ATOM 0 HB3 LEU A 75 73.063 46.115 -17.675 1.00 0.00 H new ATOM 0 HG LEU A 75 75.176 46.640 -16.577 1.00 0.00 H new ATOM 0 HD11 LEU A 75 75.289 48.357 -14.813 1.00 0.00 H new ATOM 0 HD12 LEU A 75 74.926 49.067 -16.404 1.00 0.00 H new ATOM 0 HD13 LEU A 75 73.628 48.861 -15.204 1.00 0.00 H new ATOM 0 HD21 LEU A 75 74.538 46.072 -14.265 1.00 0.00 H new ATOM 0 HD22 LEU A 75 72.847 46.487 -14.635 1.00 0.00 H new ATOM 0 HD23 LEU A 75 73.626 45.113 -15.455 1.00 0.00 H new ATOM 1171 N CYS A 76 71.902 47.007 -19.888 1.00 0.00 N ATOM 1172 CA CYS A 76 71.419 46.362 -21.104 1.00 0.00 C ATOM 1173 C CYS A 76 71.674 47.241 -22.323 1.00 0.00 C ATOM 1174 O CYS A 76 71.773 46.749 -23.448 1.00 0.00 O ATOM 1175 CB CYS A 76 69.925 46.056 -20.984 1.00 0.00 C ATOM 1176 SG CYS A 76 69.552 44.317 -20.659 1.00 0.00 S ATOM 0 H CYS A 76 71.193 47.128 -19.165 1.00 0.00 H new ATOM 0 HA CYS A 76 71.965 45.427 -21.232 1.00 0.00 H new ATOM 0 HB2 CYS A 76 69.504 46.663 -20.182 1.00 0.00 H new ATOM 0 HB3 CYS A 76 69.428 46.357 -21.906 1.00 0.00 H new ATOM 0 HG CYS A 76 68.265 44.158 -20.572 1.00 0.00 H new ATOM 1182 N LYS A 77 71.779 48.546 -22.094 1.00 0.00 N ATOM 1183 CA LYS A 77 72.022 49.496 -23.174 1.00 0.00 C ATOM 1184 C LYS A 77 73.493 49.494 -23.579 1.00 0.00 C ATOM 1185 O LYS A 77 73.834 49.826 -24.713 1.00 0.00 O ATOM 1186 CB LYS A 77 71.602 50.904 -22.746 1.00 0.00 C ATOM 1187 CG LYS A 77 72.135 51.999 -23.653 1.00 0.00 C ATOM 1188 CD LYS A 77 71.243 53.229 -23.626 1.00 0.00 C ATOM 1189 CE LYS A 77 71.685 54.261 -24.652 1.00 0.00 C ATOM 1190 NZ LYS A 77 70.980 54.087 -25.952 1.00 0.00 N ATOM 0 H LYS A 77 71.700 48.970 -21.170 1.00 0.00 H new ATOM 0 HA LYS A 77 71.426 49.191 -24.034 1.00 0.00 H new ATOM 0 HB2 LYS A 77 70.514 50.959 -22.725 1.00 0.00 H new ATOM 0 HB3 LYS A 77 71.950 51.085 -21.729 1.00 0.00 H new ATOM 0 HG2 LYS A 77 73.143 52.273 -23.341 1.00 0.00 H new ATOM 0 HG3 LYS A 77 72.208 51.624 -24.674 1.00 0.00 H new ATOM 0 HD2 LYS A 77 70.212 52.936 -23.824 1.00 0.00 H new ATOM 0 HD3 LYS A 77 71.263 53.672 -22.630 1.00 0.00 H new ATOM 0 HE2 LYS A 77 71.493 55.262 -24.266 1.00 0.00 H new ATOM 0 HE3 LYS A 77 72.761 54.180 -24.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 71.309 54.809 -26.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 71.183 53.141 -26.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 69.955 54.189 -25.808 1.00 0.00 H new ATOM 1204 N MET A 78 74.359 49.117 -22.644 1.00 0.00 N ATOM 1205 CA MET A 78 75.793 49.069 -22.905 1.00 0.00 C ATOM 1206 C MET A 78 76.117 48.027 -23.971 1.00 0.00 C ATOM 1207 O MET A 78 75.618 46.904 -23.926 1.00 0.00 O ATOM 1208 CB MET A 78 76.558 48.755 -21.618 1.00 0.00 C ATOM 1209 CG MET A 78 76.444 49.842 -20.562 1.00 0.00 C ATOM 1210 SD MET A 78 78.043 50.318 -19.880 1.00 0.00 S ATOM 1211 CE MET A 78 78.738 48.713 -19.493 1.00 0.00 C ATOM 0 H MET A 78 74.093 48.840 -21.699 1.00 0.00 H new ATOM 0 HA MET A 78 76.103 50.047 -23.273 1.00 0.00 H new ATOM 0 HB2 MET A 78 76.187 47.818 -21.204 1.00 0.00 H new ATOM 0 HB3 MET A 78 77.610 48.603 -21.859 1.00 0.00 H new ATOM 0 HG2 MET A 78 75.964 50.718 -20.998 1.00 0.00 H new ATOM 0 HG3 MET A 78 75.799 49.494 -19.756 1.00 0.00 H new ATOM 0 HE1 MET A 78 79.513 48.825 -18.735 1.00 0.00 H new ATOM 0 HE2 MET A 78 77.953 48.058 -19.115 1.00 0.00 H new ATOM 0 HE3 MET A 78 79.171 48.277 -20.393 1.00 0.00 H new ATOM 1221 N ASN A 79 76.955 48.408 -24.929 1.00 0.00 N ATOM 1222 CA ASN A 79 77.345 47.506 -26.007 1.00 0.00 C ATOM 1223 C ASN A 79 78.551 46.663 -25.602 1.00 0.00 C ATOM 1224 O ASN A 79 78.956 46.658 -24.440 1.00 0.00 O ATOM 1225 CB ASN A 79 77.666 48.301 -27.274 1.00 0.00 C ATOM 1226 CG ASN A 79 76.573 49.290 -27.629 1.00 0.00 C ATOM 1227 OD1 ASN A 79 76.774 50.503 -27.567 1.00 0.00 O ATOM 1228 ND2 ASN A 79 75.408 48.775 -28.004 1.00 0.00 N ATOM 0 H ASN A 79 77.377 49.335 -24.981 1.00 0.00 H new ATOM 0 HA ASN A 79 76.508 46.837 -26.208 1.00 0.00 H new ATOM 0 HB2 ASN A 79 78.605 48.836 -27.135 1.00 0.00 H new ATOM 0 HB3 ASN A 79 77.812 47.611 -28.105 1.00 0.00 H new ATOM 0 HD21 ASN A 79 74.635 49.391 -28.255 1.00 0.00 H new ATOM 0 HD22 ASN A 79 75.286 47.763 -28.041 1.00 0.00 H new ATOM 1235 N LYS A 80 79.120 45.952 -26.569 1.00 0.00 N ATOM 1236 CA LYS A 80 80.281 45.107 -26.316 1.00 0.00 C ATOM 1237 C LYS A 80 81.470 45.941 -25.852 1.00 0.00 C ATOM 1238 O LYS A 80 81.977 45.754 -24.747 1.00 0.00 O ATOM 1239 CB LYS A 80 80.653 44.325 -27.578 1.00 0.00 C ATOM 1240 CG LYS A 80 81.679 43.232 -27.335 1.00 0.00 C ATOM 1241 CD LYS A 80 81.014 41.900 -27.031 1.00 0.00 C ATOM 1242 CE LYS A 80 80.841 41.064 -28.290 1.00 0.00 C ATOM 1243 NZ LYS A 80 80.074 41.792 -29.338 1.00 0.00 N ATOM 0 H LYS A 80 78.796 45.944 -27.536 1.00 0.00 H new ATOM 0 HA LYS A 80 80.022 44.404 -25.524 1.00 0.00 H new ATOM 0 HB2 LYS A 80 79.752 43.879 -27.998 1.00 0.00 H new ATOM 0 HB3 LYS A 80 81.042 45.018 -28.323 1.00 0.00 H new ATOM 0 HG2 LYS A 80 82.317 43.129 -28.213 1.00 0.00 H new ATOM 0 HG3 LYS A 80 82.324 43.516 -26.503 1.00 0.00 H new ATOM 0 HD2 LYS A 80 81.614 41.349 -26.307 1.00 0.00 H new ATOM 0 HD3 LYS A 80 80.041 42.074 -26.572 1.00 0.00 H new ATOM 0 HE2 LYS A 80 81.821 40.790 -28.681 1.00 0.00 H new ATOM 0 HE3 LYS A 80 80.326 40.136 -28.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 79.890 41.155 -30.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 79.170 42.120 -28.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 80.626 42.610 -29.666 1.00 0.00 H new ATOM 1257 N GLU A 81 81.910 46.862 -26.704 1.00 0.00 N ATOM 1258 CA GLU A 81 83.040 47.725 -26.379 1.00 0.00 C ATOM 1259 C GLU A 81 82.839 48.398 -25.025 1.00 0.00 C ATOM 1260 O GLU A 81 83.787 48.569 -24.258 1.00 0.00 O ATOM 1261 CB GLU A 81 83.228 48.786 -27.465 1.00 0.00 C ATOM 1262 CG GLU A 81 81.930 49.441 -27.908 1.00 0.00 C ATOM 1263 CD GLU A 81 82.149 50.803 -28.538 1.00 0.00 C ATOM 1264 OE1 GLU A 81 83.293 51.091 -28.946 1.00 0.00 O ATOM 1265 OE2 GLU A 81 81.175 51.580 -28.623 1.00 0.00 O ATOM 0 H GLU A 81 81.502 47.030 -27.624 1.00 0.00 H new ATOM 0 HA GLU A 81 83.935 47.105 -26.328 1.00 0.00 H new ATOM 0 HB2 GLU A 81 83.906 49.556 -27.096 1.00 0.00 H new ATOM 0 HB3 GLU A 81 83.707 48.327 -28.330 1.00 0.00 H new ATOM 0 HG2 GLU A 81 81.425 48.791 -28.623 1.00 0.00 H new ATOM 0 HG3 GLU A 81 81.268 49.545 -27.048 1.00 0.00 H new ATOM 1272 N ASP A 82 81.599 48.778 -24.737 1.00 0.00 N ATOM 1273 CA ASP A 82 81.272 49.431 -23.475 1.00 0.00 C ATOM 1274 C ASP A 82 81.674 48.558 -22.291 1.00 0.00 C ATOM 1275 O ASP A 82 82.064 49.062 -21.238 1.00 0.00 O ATOM 1276 CB ASP A 82 79.777 49.744 -23.410 1.00 0.00 C ATOM 1277 CG ASP A 82 79.376 50.858 -24.356 1.00 0.00 C ATOM 1278 OD1 ASP A 82 79.584 52.038 -24.004 1.00 0.00 O ATOM 1279 OD2 ASP A 82 78.854 50.551 -25.449 1.00 0.00 O ATOM 0 H ASP A 82 80.803 48.645 -25.361 1.00 0.00 H new ATOM 0 HA ASP A 82 81.833 50.364 -23.422 1.00 0.00 H new ATOM 0 HB2 ASP A 82 79.210 48.845 -23.651 1.00 0.00 H new ATOM 0 HB3 ASP A 82 79.512 50.024 -22.391 1.00 0.00 H new ATOM 1284 N PHE A 83 81.575 47.245 -22.470 1.00 0.00 N ATOM 1285 CA PHE A 83 81.927 46.300 -21.416 1.00 0.00 C ATOM 1286 C PHE A 83 83.386 45.870 -21.535 1.00 0.00 C ATOM 1287 O PHE A 83 84.047 45.594 -20.533 1.00 0.00 O ATOM 1288 CB PHE A 83 81.015 45.073 -21.477 1.00 0.00 C ATOM 1289 CG PHE A 83 79.796 45.188 -20.607 1.00 0.00 C ATOM 1290 CD1 PHE A 83 79.918 45.431 -19.249 1.00 0.00 C ATOM 1291 CD2 PHE A 83 78.527 45.053 -21.148 1.00 0.00 C ATOM 1292 CE1 PHE A 83 78.798 45.538 -18.445 1.00 0.00 C ATOM 1293 CE2 PHE A 83 77.404 45.160 -20.350 1.00 0.00 C ATOM 1294 CZ PHE A 83 77.539 45.401 -18.997 1.00 0.00 C ATOM 0 H PHE A 83 81.254 46.811 -23.335 1.00 0.00 H new ATOM 0 HA PHE A 83 81.791 46.798 -20.456 1.00 0.00 H new ATOM 0 HB2 PHE A 83 80.701 44.914 -22.509 1.00 0.00 H new ATOM 0 HB3 PHE A 83 81.583 44.192 -21.178 1.00 0.00 H new ATOM 0 HD1 PHE A 83 80.900 45.538 -18.813 1.00 0.00 H new ATOM 0 HD2 PHE A 83 78.415 44.862 -22.205 1.00 0.00 H new ATOM 0 HE1 PHE A 83 78.907 45.728 -17.388 1.00 0.00 H new ATOM 0 HE2 PHE A 83 76.421 45.055 -20.784 1.00 0.00 H new ATOM 0 HZ PHE A 83 76.662 45.482 -18.372 1.00 0.00 H new ATOM 1304 N LEU A 84 83.881 45.815 -22.766 1.00 0.00 N ATOM 1305 CA LEU A 84 85.262 45.418 -23.018 1.00 0.00 C ATOM 1306 C LEU A 84 86.236 46.350 -22.304 1.00 0.00 C ATOM 1307 O LEU A 84 87.364 45.967 -21.994 1.00 0.00 O ATOM 1308 CB LEU A 84 85.548 45.418 -24.521 1.00 0.00 C ATOM 1309 CG LEU A 84 85.005 44.224 -25.307 1.00 0.00 C ATOM 1310 CD1 LEU A 84 84.632 44.641 -26.722 1.00 0.00 C ATOM 1311 CD2 LEU A 84 86.024 43.095 -25.333 1.00 0.00 C ATOM 0 H LEU A 84 83.347 46.040 -23.605 1.00 0.00 H new ATOM 0 HA LEU A 84 85.400 44.410 -22.628 1.00 0.00 H new ATOM 0 HB2 LEU A 84 85.132 46.330 -24.950 1.00 0.00 H new ATOM 0 HB3 LEU A 84 86.628 45.462 -24.665 1.00 0.00 H new ATOM 0 HG LEU A 84 84.106 43.863 -24.808 1.00 0.00 H new ATOM 0 HD11 LEU A 84 84.248 43.778 -27.266 1.00 0.00 H new ATOM 0 HD12 LEU A 84 83.867 45.416 -26.683 1.00 0.00 H new ATOM 0 HD13 LEU A 84 85.514 45.028 -27.232 1.00 0.00 H new ATOM 0 HD21 LEU A 84 85.621 42.254 -25.897 1.00 0.00 H new ATOM 0 HD22 LEU A 84 86.941 43.444 -25.808 1.00 0.00 H new ATOM 0 HD23 LEU A 84 86.242 42.778 -24.313 1.00 0.00 H new ATOM 1323 N ARG A 85 85.791 47.575 -22.044 1.00 0.00 N ATOM 1324 CA ARG A 85 86.622 48.562 -21.366 1.00 0.00 C ATOM 1325 C ARG A 85 86.792 48.208 -19.891 1.00 0.00 C ATOM 1326 O ARG A 85 87.857 48.419 -19.311 1.00 0.00 O ATOM 1327 CB ARG A 85 86.007 49.957 -21.499 1.00 0.00 C ATOM 1328 CG ARG A 85 85.663 50.336 -22.930 1.00 0.00 C ATOM 1329 CD ARG A 85 86.210 51.708 -23.290 1.00 0.00 C ATOM 1330 NE ARG A 85 87.668 51.712 -23.371 1.00 0.00 N ATOM 1331 CZ ARG A 85 88.369 52.668 -23.970 1.00 0.00 C ATOM 1332 NH1 ARG A 85 87.748 53.693 -24.537 1.00 0.00 N ATOM 1333 NH2 ARG A 85 89.694 52.601 -24.002 1.00 0.00 N ATOM 0 H ARG A 85 84.859 47.908 -22.293 1.00 0.00 H new ATOM 0 HA ARG A 85 87.604 48.559 -21.839 1.00 0.00 H new ATOM 0 HB2 ARG A 85 85.103 50.006 -20.892 1.00 0.00 H new ATOM 0 HB3 ARG A 85 86.703 50.692 -21.095 1.00 0.00 H new ATOM 0 HG2 ARG A 85 86.070 49.590 -23.613 1.00 0.00 H new ATOM 0 HG3 ARG A 85 84.581 50.329 -23.059 1.00 0.00 H new ATOM 0 HD2 ARG A 85 85.793 52.025 -24.246 1.00 0.00 H new ATOM 0 HD3 ARG A 85 85.886 52.434 -22.544 1.00 0.00 H new ATOM 0 HE ARG A 85 88.176 50.938 -22.944 1.00 0.00 H new ATOM 0 HH11 ARG A 85 86.730 53.749 -24.514 1.00 0.00 H new ATOM 0 HH12 ARG A 85 88.288 54.426 -24.996 1.00 0.00 H new ATOM 0 HH21 ARG A 85 90.176 51.814 -23.566 1.00 0.00 H new ATOM 0 HH22 ARG A 85 90.231 53.336 -24.462 1.00 0.00 H new ATOM 1347 N ALA A 86 85.735 47.670 -19.292 1.00 0.00 N ATOM 1348 CA ALA A 86 85.768 47.286 -17.886 1.00 0.00 C ATOM 1349 C ALA A 86 86.423 45.920 -17.705 1.00 0.00 C ATOM 1350 O ALA A 86 87.292 45.745 -16.851 1.00 0.00 O ATOM 1351 CB ALA A 86 84.361 47.279 -17.308 1.00 0.00 C ATOM 0 H ALA A 86 84.846 47.490 -19.758 1.00 0.00 H new ATOM 0 HA ALA A 86 86.367 48.021 -17.348 1.00 0.00 H new ATOM 0 HB1 ALA A 86 84.401 46.991 -16.258 1.00 0.00 H new ATOM 0 HB2 ALA A 86 83.927 48.275 -17.395 1.00 0.00 H new ATOM 0 HB3 ALA A 86 83.746 46.566 -17.857 1.00 0.00 H new ATOM 1357 N THR A 87 86.000 44.955 -18.515 1.00 0.00 N ATOM 1358 CA THR A 87 86.544 43.604 -18.443 1.00 0.00 C ATOM 1359 C THR A 87 86.921 43.089 -19.828 1.00 0.00 C ATOM 1360 O THR A 87 86.660 43.744 -20.838 1.00 0.00 O ATOM 1361 CB THR A 87 85.541 42.628 -17.800 1.00 0.00 C ATOM 1362 OG1 THR A 87 86.177 41.372 -17.541 1.00 0.00 O ATOM 1363 CG2 THR A 87 84.337 42.415 -18.705 1.00 0.00 C ATOM 0 H THR A 87 85.283 45.083 -19.229 1.00 0.00 H new ATOM 0 HA THR A 87 87.438 43.656 -17.822 1.00 0.00 H new ATOM 0 HB THR A 87 85.198 43.061 -16.861 1.00 0.00 H new ATOM 0 HG1 THR A 87 86.286 41.254 -16.574 1.00 0.00 H new ATOM 0 HG21 THR A 87 83.643 41.722 -18.230 1.00 0.00 H new ATOM 0 HG22 THR A 87 83.838 43.369 -18.877 1.00 0.00 H new ATOM 0 HG23 THR A 87 84.667 42.001 -19.658 1.00 0.00 H new ATOM 1371 N THR A 88 87.535 41.911 -19.869 1.00 0.00 N ATOM 1372 CA THR A 88 87.948 41.307 -21.129 1.00 0.00 C ATOM 1373 C THR A 88 86.766 40.661 -21.843 1.00 0.00 C ATOM 1374 O THR A 88 85.629 40.732 -21.373 1.00 0.00 O ATOM 1375 CB THR A 88 89.044 40.247 -20.913 1.00 0.00 C ATOM 1376 OG1 THR A 88 88.494 39.102 -20.252 1.00 0.00 O ATOM 1377 CG2 THR A 88 90.189 40.814 -20.087 1.00 0.00 C ATOM 0 H THR A 88 87.757 41.356 -19.043 1.00 0.00 H new ATOM 0 HA THR A 88 88.348 42.111 -21.747 1.00 0.00 H new ATOM 0 HB THR A 88 89.431 39.952 -21.888 1.00 0.00 H new ATOM 0 HG1 THR A 88 89.197 38.432 -20.120 1.00 0.00 H new ATOM 0 HG21 THR A 88 90.951 40.047 -19.947 1.00 0.00 H new ATOM 0 HG22 THR A 88 90.624 41.668 -20.606 1.00 0.00 H new ATOM 0 HG23 THR A 88 89.813 41.133 -19.115 1.00 0.00 H new ATOM 1385 N LEU A 89 87.040 40.030 -22.979 1.00 0.00 N ATOM 1386 CA LEU A 89 85.998 39.370 -23.758 1.00 0.00 C ATOM 1387 C LEU A 89 85.487 38.126 -23.039 1.00 0.00 C ATOM 1388 O LEU A 89 84.283 37.873 -22.993 1.00 0.00 O ATOM 1389 CB LEU A 89 86.531 38.991 -25.141 1.00 0.00 C ATOM 1390 CG LEU A 89 85.498 38.946 -26.269 1.00 0.00 C ATOM 1391 CD1 LEU A 89 84.381 37.971 -25.931 1.00 0.00 C ATOM 1392 CD2 LEU A 89 84.935 40.335 -26.533 1.00 0.00 C ATOM 0 H LEU A 89 87.975 39.961 -23.381 1.00 0.00 H new ATOM 0 HA LEU A 89 85.168 40.067 -23.874 1.00 0.00 H new ATOM 0 HB2 LEU A 89 87.309 39.703 -25.416 1.00 0.00 H new ATOM 0 HB3 LEU A 89 87.005 38.012 -25.070 1.00 0.00 H new ATOM 0 HG LEU A 89 85.993 38.599 -27.176 1.00 0.00 H new ATOM 0 HD11 LEU A 89 83.656 37.952 -26.745 1.00 0.00 H new ATOM 0 HD12 LEU A 89 84.798 36.973 -25.794 1.00 0.00 H new ATOM 0 HD13 LEU A 89 83.887 38.288 -25.012 1.00 0.00 H new ATOM 0 HD21 LEU A 89 84.202 40.284 -27.338 1.00 0.00 H new ATOM 0 HD22 LEU A 89 84.455 40.711 -25.629 1.00 0.00 H new ATOM 0 HD23 LEU A 89 85.744 41.007 -26.821 1.00 0.00 H new ATOM 1404 N TYR A 90 86.410 37.352 -22.478 1.00 0.00 N ATOM 1405 CA TYR A 90 86.053 36.134 -21.761 1.00 0.00 C ATOM 1406 C TYR A 90 84.983 36.414 -20.709 1.00 0.00 C ATOM 1407 O TYR A 90 84.167 35.550 -20.393 1.00 0.00 O ATOM 1408 CB TYR A 90 87.290 35.527 -21.097 1.00 0.00 C ATOM 1409 CG TYR A 90 86.997 34.275 -20.301 1.00 0.00 C ATOM 1410 CD1 TYR A 90 86.611 34.351 -18.968 1.00 0.00 C ATOM 1411 CD2 TYR A 90 87.107 33.017 -20.880 1.00 0.00 C ATOM 1412 CE1 TYR A 90 86.343 33.210 -18.236 1.00 0.00 C ATOM 1413 CE2 TYR A 90 86.840 31.871 -20.157 1.00 0.00 C ATOM 1414 CZ TYR A 90 86.458 31.973 -18.835 1.00 0.00 C ATOM 1415 OH TYR A 90 86.192 30.834 -18.110 1.00 0.00 O ATOM 0 H TYR A 90 87.411 37.547 -22.506 1.00 0.00 H new ATOM 0 HA TYR A 90 85.650 35.423 -22.482 1.00 0.00 H new ATOM 0 HB2 TYR A 90 88.027 35.295 -21.865 1.00 0.00 H new ATOM 0 HB3 TYR A 90 87.740 36.270 -20.438 1.00 0.00 H new ATOM 0 HD1 TYR A 90 86.519 35.318 -18.496 1.00 0.00 H new ATOM 0 HD2 TYR A 90 87.407 32.934 -21.914 1.00 0.00 H new ATOM 0 HE1 TYR A 90 86.045 33.286 -17.201 1.00 0.00 H new ATOM 0 HE2 TYR A 90 86.930 30.901 -20.623 1.00 0.00 H new ATOM 0 HH TYR A 90 86.319 30.047 -18.680 1.00 0.00 H new ATOM 1425 N ASN A 91 84.995 37.630 -20.173 1.00 0.00 N ATOM 1426 CA ASN A 91 84.027 38.026 -19.156 1.00 0.00 C ATOM 1427 C ASN A 91 82.821 38.710 -19.792 1.00 0.00 C ATOM 1428 O ASN A 91 81.683 38.512 -19.364 1.00 0.00 O ATOM 1429 CB ASN A 91 84.680 38.961 -18.137 1.00 0.00 C ATOM 1430 CG ASN A 91 85.119 38.232 -16.882 1.00 0.00 C ATOM 1431 OD1 ASN A 91 84.416 37.353 -16.383 1.00 0.00 O ATOM 1432 ND2 ASN A 91 86.287 38.595 -16.365 1.00 0.00 N ATOM 0 H ASN A 91 85.664 38.358 -20.425 1.00 0.00 H new ATOM 0 HA ASN A 91 83.685 37.126 -18.645 1.00 0.00 H new ATOM 0 HB2 ASN A 91 85.543 39.445 -18.593 1.00 0.00 H new ATOM 0 HB3 ASN A 91 83.977 39.750 -17.869 1.00 0.00 H new ATOM 0 HD21 ASN A 91 86.635 38.140 -15.521 1.00 0.00 H new ATOM 0 HD22 ASN A 91 86.837 39.329 -16.812 1.00 0.00 H new ATOM 1439 N THR A 92 83.077 39.518 -20.817 1.00 0.00 N ATOM 1440 CA THR A 92 82.014 40.232 -21.511 1.00 0.00 C ATOM 1441 C THR A 92 80.905 39.281 -21.947 1.00 0.00 C ATOM 1442 O THR A 92 79.722 39.602 -21.839 1.00 0.00 O ATOM 1443 CB THR A 92 82.552 40.976 -22.748 1.00 0.00 C ATOM 1444 OG1 THR A 92 83.541 41.932 -22.353 1.00 0.00 O ATOM 1445 CG2 THR A 92 81.425 41.682 -23.488 1.00 0.00 C ATOM 0 H THR A 92 84.012 39.694 -21.184 1.00 0.00 H new ATOM 0 HA THR A 92 81.609 40.958 -20.806 1.00 0.00 H new ATOM 0 HB THR A 92 83.002 40.243 -23.417 1.00 0.00 H new ATOM 0 HG1 THR A 92 84.285 41.470 -21.912 1.00 0.00 H new ATOM 0 HG21 THR A 92 81.829 42.200 -24.358 1.00 0.00 H new ATOM 0 HG22 THR A 92 80.688 40.948 -23.813 1.00 0.00 H new ATOM 0 HG23 THR A 92 80.950 42.404 -22.824 1.00 0.00 H new ATOM 1453 N GLU A 93 81.296 38.109 -22.438 1.00 0.00 N ATOM 1454 CA GLU A 93 80.333 37.112 -22.890 1.00 0.00 C ATOM 1455 C GLU A 93 79.614 36.474 -21.704 1.00 0.00 C ATOM 1456 O GLU A 93 78.486 35.997 -21.832 1.00 0.00 O ATOM 1457 CB GLU A 93 81.034 36.031 -23.715 1.00 0.00 C ATOM 1458 CG GLU A 93 81.497 36.513 -25.080 1.00 0.00 C ATOM 1459 CD GLU A 93 80.735 35.862 -26.218 1.00 0.00 C ATOM 1460 OE1 GLU A 93 79.488 35.849 -26.167 1.00 0.00 O ATOM 1461 OE2 GLU A 93 81.388 35.365 -27.160 1.00 0.00 O ATOM 0 H GLU A 93 82.272 37.827 -22.533 1.00 0.00 H new ATOM 0 HA GLU A 93 79.594 37.615 -23.514 1.00 0.00 H new ATOM 0 HB2 GLU A 93 81.895 35.662 -23.158 1.00 0.00 H new ATOM 0 HB3 GLU A 93 80.355 35.189 -23.847 1.00 0.00 H new ATOM 0 HG2 GLU A 93 81.377 37.595 -25.139 1.00 0.00 H new ATOM 0 HG3 GLU A 93 82.561 36.304 -25.193 1.00 0.00 H new ATOM 1468 N VAL A 94 80.274 36.470 -20.551 1.00 0.00 N ATOM 1469 CA VAL A 94 79.699 35.892 -19.342 1.00 0.00 C ATOM 1470 C VAL A 94 78.685 36.838 -18.710 1.00 0.00 C ATOM 1471 O VAL A 94 77.718 36.402 -18.084 1.00 0.00 O ATOM 1472 CB VAL A 94 80.788 35.558 -18.306 1.00 0.00 C ATOM 1473 CG1 VAL A 94 80.165 34.987 -17.042 1.00 0.00 C ATOM 1474 CG2 VAL A 94 81.803 34.590 -18.895 1.00 0.00 C ATOM 0 H VAL A 94 81.208 36.861 -20.428 1.00 0.00 H new ATOM 0 HA VAL A 94 79.197 34.971 -19.639 1.00 0.00 H new ATOM 0 HB VAL A 94 81.309 36.478 -18.041 1.00 0.00 H new ATOM 0 HG11 VAL A 94 80.950 34.757 -16.321 1.00 0.00 H new ATOM 0 HG12 VAL A 94 79.480 35.718 -16.612 1.00 0.00 H new ATOM 0 HG13 VAL A 94 79.618 34.076 -17.285 1.00 0.00 H new ATOM 0 HG21 VAL A 94 82.566 34.364 -18.150 1.00 0.00 H new ATOM 0 HG22 VAL A 94 81.299 33.669 -19.189 1.00 0.00 H new ATOM 0 HG23 VAL A 94 82.272 35.042 -19.769 1.00 0.00 H new ATOM 1484 N LEU A 95 78.910 38.137 -18.878 1.00 0.00 N ATOM 1485 CA LEU A 95 78.016 39.147 -18.324 1.00 0.00 C ATOM 1486 C LEU A 95 76.919 39.509 -19.321 1.00 0.00 C ATOM 1487 O LEU A 95 75.730 39.425 -19.010 1.00 0.00 O ATOM 1488 CB LEU A 95 78.805 40.400 -17.939 1.00 0.00 C ATOM 1489 CG LEU A 95 79.952 40.193 -16.951 1.00 0.00 C ATOM 1490 CD1 LEU A 95 81.051 41.218 -17.186 1.00 0.00 C ATOM 1491 CD2 LEU A 95 79.444 40.272 -15.519 1.00 0.00 C ATOM 0 H LEU A 95 79.705 38.515 -19.394 1.00 0.00 H new ATOM 0 HA LEU A 95 77.548 38.732 -17.431 1.00 0.00 H new ATOM 0 HB2 LEU A 95 79.211 40.843 -18.848 1.00 0.00 H new ATOM 0 HB3 LEU A 95 78.112 41.125 -17.513 1.00 0.00 H new ATOM 0 HG LEU A 95 80.370 39.199 -17.113 1.00 0.00 H new ATOM 0 HD11 LEU A 95 81.859 41.055 -16.473 1.00 0.00 H new ATOM 0 HD12 LEU A 95 81.435 41.113 -18.201 1.00 0.00 H new ATOM 0 HD13 LEU A 95 80.647 42.222 -17.053 1.00 0.00 H new ATOM 0 HD21 LEU A 95 80.275 40.122 -14.829 1.00 0.00 H new ATOM 0 HD22 LEU A 95 78.999 41.252 -15.344 1.00 0.00 H new ATOM 0 HD23 LEU A 95 78.693 39.499 -15.356 1.00 0.00 H new ATOM 1503 N LEU A 96 77.326 39.909 -20.520 1.00 0.00 N ATOM 1504 CA LEU A 96 76.378 40.282 -21.565 1.00 0.00 C ATOM 1505 C LEU A 96 75.338 39.186 -21.772 1.00 0.00 C ATOM 1506 O LEU A 96 74.197 39.462 -22.144 1.00 0.00 O ATOM 1507 CB LEU A 96 77.116 40.555 -22.877 1.00 0.00 C ATOM 1508 CG LEU A 96 76.236 40.828 -24.097 1.00 0.00 C ATOM 1509 CD1 LEU A 96 75.231 41.928 -23.796 1.00 0.00 C ATOM 1510 CD2 LEU A 96 77.093 41.200 -25.299 1.00 0.00 C ATOM 0 H LEU A 96 78.306 39.984 -20.793 1.00 0.00 H new ATOM 0 HA LEU A 96 75.865 41.190 -21.249 1.00 0.00 H new ATOM 0 HB2 LEU A 96 77.774 41.412 -22.729 1.00 0.00 H new ATOM 0 HB3 LEU A 96 77.753 39.698 -23.098 1.00 0.00 H new ATOM 0 HG LEU A 96 75.686 39.918 -24.335 1.00 0.00 H new ATOM 0 HD11 LEU A 96 74.614 42.108 -24.676 1.00 0.00 H new ATOM 0 HD12 LEU A 96 74.596 41.623 -22.964 1.00 0.00 H new ATOM 0 HD13 LEU A 96 75.761 42.843 -23.532 1.00 0.00 H new ATOM 0 HD21 LEU A 96 76.451 41.391 -26.159 1.00 0.00 H new ATOM 0 HD22 LEU A 96 77.670 42.096 -25.071 1.00 0.00 H new ATOM 0 HD23 LEU A 96 77.773 40.380 -25.529 1.00 0.00 H new ATOM 1522 N SER A 97 75.739 37.942 -21.527 1.00 0.00 N ATOM 1523 CA SER A 97 74.841 36.804 -21.688 1.00 0.00 C ATOM 1524 C SER A 97 73.781 36.789 -20.591 1.00 0.00 C ATOM 1525 O SER A 97 72.582 36.802 -20.870 1.00 0.00 O ATOM 1526 CB SER A 97 75.634 35.496 -21.667 1.00 0.00 C ATOM 1527 OG SER A 97 74.768 34.375 -21.696 1.00 0.00 O ATOM 0 H SER A 97 76.679 37.697 -21.217 1.00 0.00 H new ATOM 0 HA SER A 97 74.339 36.901 -22.651 1.00 0.00 H new ATOM 0 HB2 SER A 97 76.308 35.462 -22.523 1.00 0.00 H new ATOM 0 HB3 SER A 97 76.254 35.457 -20.772 1.00 0.00 H new ATOM 0 HG SER A 97 75.299 33.551 -21.683 1.00 0.00 H new ATOM 1533 N HIS A 98 74.233 36.760 -19.341 1.00 0.00 N ATOM 1534 CA HIS A 98 73.324 36.743 -18.200 1.00 0.00 C ATOM 1535 C HIS A 98 72.309 37.878 -18.297 1.00 0.00 C ATOM 1536 O HIS A 98 71.175 37.752 -17.832 1.00 0.00 O ATOM 1537 CB HIS A 98 74.111 36.858 -16.894 1.00 0.00 C ATOM 1538 CG HIS A 98 73.308 36.504 -15.679 1.00 0.00 C ATOM 1539 ND1 HIS A 98 72.224 37.242 -15.252 1.00 0.00 N ATOM 1540 CD2 HIS A 98 73.437 35.483 -14.800 1.00 0.00 C ATOM 1541 CE1 HIS A 98 71.722 36.691 -14.162 1.00 0.00 C ATOM 1542 NE2 HIS A 98 72.439 35.622 -13.867 1.00 0.00 N ATOM 0 H HIS A 98 75.222 36.748 -19.093 1.00 0.00 H new ATOM 0 HA HIS A 98 72.785 35.796 -18.210 1.00 0.00 H new ATOM 0 HB2 HIS A 98 74.983 36.206 -16.946 1.00 0.00 H new ATOM 0 HB3 HIS A 98 74.481 37.878 -16.791 1.00 0.00 H new ATOM 0 HD2 HIS A 98 74.185 34.704 -14.827 1.00 0.00 H new ATOM 0 HE1 HIS A 98 70.870 37.053 -13.606 1.00 0.00 H new ATOM 0 HE2 HIS A 98 72.278 35.000 -13.075 1.00 0.00 H new ATOM 1550 N LEU A 99 72.722 38.985 -18.903 1.00 0.00 N ATOM 1551 CA LEU A 99 71.849 40.143 -19.061 1.00 0.00 C ATOM 1552 C LEU A 99 70.634 39.796 -19.915 1.00 0.00 C ATOM 1553 O LEU A 99 69.535 40.300 -19.683 1.00 0.00 O ATOM 1554 CB LEU A 99 72.618 41.304 -19.694 1.00 0.00 C ATOM 1555 CG LEU A 99 72.795 42.547 -18.821 1.00 0.00 C ATOM 1556 CD1 LEU A 99 73.649 42.226 -17.604 1.00 0.00 C ATOM 1557 CD2 LEU A 99 73.416 43.680 -19.626 1.00 0.00 C ATOM 0 H LEU A 99 73.657 39.106 -19.293 1.00 0.00 H new ATOM 0 HA LEU A 99 71.501 40.443 -18.072 1.00 0.00 H new ATOM 0 HB2 LEU A 99 73.605 40.944 -19.984 1.00 0.00 H new ATOM 0 HB3 LEU A 99 72.104 41.598 -20.609 1.00 0.00 H new ATOM 0 HG LEU A 99 71.812 42.869 -18.476 1.00 0.00 H new ATOM 0 HD11 LEU A 99 73.765 43.122 -16.994 1.00 0.00 H new ATOM 0 HD12 LEU A 99 73.165 41.446 -17.016 1.00 0.00 H new ATOM 0 HD13 LEU A 99 74.630 41.879 -17.929 1.00 0.00 H new ATOM 0 HD21 LEU A 99 73.535 44.556 -18.989 1.00 0.00 H new ATOM 0 HD22 LEU A 99 74.391 43.369 -20.000 1.00 0.00 H new ATOM 0 HD23 LEU A 99 72.767 43.927 -20.466 1.00 0.00 H new ATOM 1569 N SER A 100 70.840 38.931 -20.904 1.00 0.00 N ATOM 1570 CA SER A 100 69.761 38.518 -21.794 1.00 0.00 C ATOM 1571 C SER A 100 69.019 37.312 -21.226 1.00 0.00 C ATOM 1572 O SER A 100 67.840 37.103 -21.511 1.00 0.00 O ATOM 1573 CB SER A 100 70.316 38.182 -23.180 1.00 0.00 C ATOM 1574 OG SER A 100 69.269 37.977 -24.113 1.00 0.00 O ATOM 0 H SER A 100 71.743 38.503 -21.109 1.00 0.00 H new ATOM 0 HA SER A 100 69.058 39.347 -21.882 1.00 0.00 H new ATOM 0 HB2 SER A 100 70.960 38.992 -23.523 1.00 0.00 H new ATOM 0 HB3 SER A 100 70.934 37.286 -23.120 1.00 0.00 H new ATOM 0 HG SER A 100 69.650 37.765 -24.991 1.00 0.00 H new ATOM 1580 N TYR A 101 69.719 36.521 -20.419 1.00 0.00 N ATOM 1581 CA TYR A 101 69.129 35.334 -19.812 1.00 0.00 C ATOM 1582 C TYR A 101 67.931 35.705 -18.944 1.00 0.00 C ATOM 1583 O TYR A 101 66.903 35.025 -18.959 1.00 0.00 O ATOM 1584 CB TYR A 101 70.171 34.594 -18.973 1.00 0.00 C ATOM 1585 CG TYR A 101 69.597 33.454 -18.162 1.00 0.00 C ATOM 1586 CD1 TYR A 101 69.272 32.243 -18.761 1.00 0.00 C ATOM 1587 CD2 TYR A 101 69.380 33.588 -16.796 1.00 0.00 C ATOM 1588 CE1 TYR A 101 68.746 31.200 -18.023 1.00 0.00 C ATOM 1589 CE2 TYR A 101 68.856 32.550 -16.050 1.00 0.00 C ATOM 1590 CZ TYR A 101 68.540 31.358 -16.669 1.00 0.00 C ATOM 1591 OH TYR A 101 68.018 30.320 -15.931 1.00 0.00 O ATOM 0 H TYR A 101 70.695 36.681 -20.171 1.00 0.00 H new ATOM 0 HA TYR A 101 68.786 34.679 -20.613 1.00 0.00 H new ATOM 0 HB2 TYR A 101 70.947 34.205 -19.633 1.00 0.00 H new ATOM 0 HB3 TYR A 101 70.652 35.302 -18.299 1.00 0.00 H new ATOM 0 HD1 TYR A 101 69.433 32.115 -19.821 1.00 0.00 H new ATOM 0 HD2 TYR A 101 69.625 34.520 -16.309 1.00 0.00 H new ATOM 0 HE1 TYR A 101 68.497 30.266 -18.504 1.00 0.00 H new ATOM 0 HE2 TYR A 101 68.695 32.671 -14.989 1.00 0.00 H new ATOM 0 HH TYR A 101 67.937 30.594 -14.994 1.00 0.00 H new ATOM 1601 N LEU A 102 68.069 36.789 -18.188 1.00 0.00 N ATOM 1602 CA LEU A 102 66.998 37.253 -17.313 1.00 0.00 C ATOM 1603 C LEU A 102 65.766 37.647 -18.121 1.00 0.00 C ATOM 1604 O LEU A 102 64.642 37.595 -17.623 1.00 0.00 O ATOM 1605 CB LEU A 102 67.475 38.442 -16.476 1.00 0.00 C ATOM 1606 CG LEU A 102 68.750 38.220 -15.661 1.00 0.00 C ATOM 1607 CD1 LEU A 102 69.594 39.485 -15.635 1.00 0.00 C ATOM 1608 CD2 LEU A 102 68.408 37.776 -14.247 1.00 0.00 C ATOM 0 H LEU A 102 68.912 37.363 -18.163 1.00 0.00 H new ATOM 0 HA LEU A 102 66.726 36.434 -16.647 1.00 0.00 H new ATOM 0 HB2 LEU A 102 67.637 39.289 -17.143 1.00 0.00 H new ATOM 0 HB3 LEU A 102 66.675 38.724 -15.792 1.00 0.00 H new ATOM 0 HG LEU A 102 69.331 37.430 -16.138 1.00 0.00 H new ATOM 0 HD11 LEU A 102 70.497 39.308 -15.051 1.00 0.00 H new ATOM 0 HD12 LEU A 102 69.869 39.760 -16.653 1.00 0.00 H new ATOM 0 HD13 LEU A 102 69.022 40.295 -15.182 1.00 0.00 H new ATOM 0 HD21 LEU A 102 69.327 37.623 -13.681 1.00 0.00 H new ATOM 0 HD22 LEU A 102 67.806 38.543 -13.760 1.00 0.00 H new ATOM 0 HD23 LEU A 102 67.845 36.843 -14.285 1.00 0.00 H new