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 43:sc= -0.21 USER MOD Set 1.2: A 91 ASN : amide:sc= -3.17! C(o=-3.4!,f=-7.7!) USER MOD Set 2.1: A 42 THR OG1 : rot -92:sc= 1.41 USER MOD Set 2.2: A 45 HIS : no HD1:sc= 0.205 K(o=1.6,f=-3.8) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.058 USER MOD Single : A 43 GLN : amide:sc=-0.000805 K(o=-0.00081,f=-0.87) USER MOD Single : A 48 GLN : amide:sc= -0.153 X(o=-0.15,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -21:sc= 0.444 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= -2.62 K(o=-2.6,f=-5.2!) USER MOD Single : A 69 ASN : amide:sc= -0.401 X(o=-0.4,f=-0.45) USER MOD Single : A 70 MET CE :methyl 165:sc= -0.324 (180deg=-1.09) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 CYS SG : rot 180:sc= -0.182 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl -158:sc= -1.29 (180deg=-2.33) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 72:sc= 1.2 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 HIS : no HE2:sc= 0.00271 K(o=0.0027,f=-2.2!) USER MOD Single : A 100 SER OG : rot -43:sc= 0.919 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 459 N ILE A 33 66.780 37.957 -5.809 1.00 0.00 N ATOM 460 CA ILE A 33 67.947 38.070 -6.675 1.00 0.00 C ATOM 461 C ILE A 33 67.688 39.042 -7.821 1.00 0.00 C ATOM 462 O ILE A 33 68.607 39.698 -8.313 1.00 0.00 O ATOM 463 CB ILE A 33 68.351 36.703 -7.257 1.00 0.00 C ATOM 464 CG1 ILE A 33 69.680 36.816 -8.007 1.00 0.00 C ATOM 465 CG2 ILE A 33 67.261 36.176 -8.179 1.00 0.00 C ATOM 466 CD1 ILE A 33 70.465 35.523 -8.044 1.00 0.00 C ATOM 0 HA ILE A 33 68.763 38.448 -6.058 1.00 0.00 H new ATOM 0 HB ILE A 33 68.477 35.998 -6.435 1.00 0.00 H new ATOM 0 HG12 ILE A 33 69.485 37.142 -9.028 1.00 0.00 H new ATOM 0 HG13 ILE A 33 70.289 37.588 -7.537 1.00 0.00 H new ATOM 0 HG21 ILE A 33 67.562 35.209 -8.582 1.00 0.00 H new ATOM 0 HG22 ILE A 33 66.333 36.063 -7.618 1.00 0.00 H new ATOM 0 HG23 ILE A 33 67.106 36.878 -8.998 1.00 0.00 H new ATOM 0 HD11 ILE A 33 71.395 35.677 -8.591 1.00 0.00 H new ATOM 0 HD12 ILE A 33 70.691 35.206 -7.026 1.00 0.00 H new ATOM 0 HD13 ILE A 33 69.875 34.753 -8.541 1.00 0.00 H new ATOM 478 N VAL A 34 66.431 39.131 -8.242 1.00 0.00 N ATOM 479 CA VAL A 34 66.049 40.025 -9.329 1.00 0.00 C ATOM 480 C VAL A 34 64.591 40.450 -9.205 1.00 0.00 C ATOM 481 O VAL A 34 63.708 39.648 -8.898 1.00 0.00 O ATOM 482 CB VAL A 34 66.265 39.363 -10.703 1.00 0.00 C ATOM 483 CG1 VAL A 34 65.226 39.852 -11.700 1.00 0.00 C ATOM 484 CG2 VAL A 34 67.673 39.635 -11.210 1.00 0.00 C ATOM 0 H VAL A 34 65.659 38.595 -7.847 1.00 0.00 H new ATOM 0 HA VAL A 34 66.688 40.905 -9.254 1.00 0.00 H new ATOM 0 HB VAL A 34 66.147 38.285 -10.591 1.00 0.00 H new ATOM 0 HG11 VAL A 34 65.394 39.374 -12.665 1.00 0.00 H new ATOM 0 HG12 VAL A 34 64.229 39.600 -11.339 1.00 0.00 H new ATOM 0 HG13 VAL A 34 65.309 40.933 -11.812 1.00 0.00 H new ATOM 0 HG21 VAL A 34 67.808 39.160 -12.182 1.00 0.00 H new ATOM 0 HG22 VAL A 34 67.823 40.710 -11.308 1.00 0.00 H new ATOM 0 HG23 VAL A 34 68.398 39.230 -10.504 1.00 0.00 H new ATOM 494 N PRO A 35 64.328 41.743 -9.450 1.00 0.00 N ATOM 495 CA PRO A 35 62.976 42.304 -9.373 1.00 0.00 C ATOM 496 C PRO A 35 62.077 41.807 -10.499 1.00 0.00 C ATOM 497 O PRO A 35 60.948 41.379 -10.262 1.00 0.00 O ATOM 498 CB PRO A 35 63.210 43.811 -9.501 1.00 0.00 C ATOM 499 CG PRO A 35 64.496 43.933 -10.242 1.00 0.00 C ATOM 500 CD PRO A 35 65.331 42.755 -9.821 1.00 0.00 C ATOM 0 HA PRO A 35 62.466 42.014 -8.454 1.00 0.00 H new ATOM 0 HB2 PRO A 35 62.395 44.294 -10.040 1.00 0.00 H new ATOM 0 HB3 PRO A 35 63.270 44.287 -8.522 1.00 0.00 H new ATOM 0 HG2 PRO A 35 64.328 43.927 -11.319 1.00 0.00 H new ATOM 0 HG3 PRO A 35 64.997 44.871 -10.003 1.00 0.00 H new ATOM 0 HD2 PRO A 35 65.973 42.407 -10.631 1.00 0.00 H new ATOM 0 HD3 PRO A 35 65.982 43.003 -8.982 1.00 0.00 H new ATOM 508 N ALA A 36 62.585 41.865 -11.726 1.00 0.00 N ATOM 509 CA ALA A 36 61.829 41.419 -12.889 1.00 0.00 C ATOM 510 C ALA A 36 62.653 41.552 -14.165 1.00 0.00 C ATOM 511 O ALA A 36 63.145 40.561 -14.704 1.00 0.00 O ATOM 512 CB ALA A 36 60.533 42.207 -13.010 1.00 0.00 C ATOM 0 H ALA A 36 63.518 42.217 -11.940 1.00 0.00 H new ATOM 0 HA ALA A 36 61.589 40.365 -12.752 1.00 0.00 H new ATOM 0 HB1 ALA A 36 59.978 41.863 -13.883 1.00 0.00 H new ATOM 0 HB2 ALA A 36 59.930 42.056 -12.115 1.00 0.00 H new ATOM 0 HB3 ALA A 36 60.761 43.267 -13.119 1.00 0.00 H new ATOM 518 N ASP A 37 62.800 42.783 -14.642 1.00 0.00 N ATOM 519 CA ASP A 37 63.565 43.046 -15.855 1.00 0.00 C ATOM 520 C ASP A 37 64.788 43.906 -15.550 1.00 0.00 C ATOM 521 O ASP A 37 64.864 44.578 -14.522 1.00 0.00 O ATOM 522 CB ASP A 37 62.687 43.739 -16.898 1.00 0.00 C ATOM 523 CG ASP A 37 62.345 42.831 -18.063 1.00 0.00 C ATOM 524 OD1 ASP A 37 62.123 41.624 -17.830 1.00 0.00 O ATOM 525 OD2 ASP A 37 62.299 43.327 -19.208 1.00 0.00 O ATOM 0 H ASP A 37 62.400 43.614 -14.207 1.00 0.00 H new ATOM 0 HA ASP A 37 63.905 42.091 -16.255 1.00 0.00 H new ATOM 0 HB2 ASP A 37 61.766 44.080 -16.425 1.00 0.00 H new ATOM 0 HB3 ASP A 37 63.201 44.625 -17.271 1.00 0.00 H new ATOM 530 N PRO A 38 65.770 43.884 -16.464 1.00 0.00 N ATOM 531 CA PRO A 38 67.008 44.655 -16.315 1.00 0.00 C ATOM 532 C PRO A 38 66.776 46.156 -16.456 1.00 0.00 C ATOM 533 O PRO A 38 67.619 46.964 -16.066 1.00 0.00 O ATOM 534 CB PRO A 38 67.887 44.140 -17.457 1.00 0.00 C ATOM 535 CG PRO A 38 66.925 43.641 -18.480 1.00 0.00 C ATOM 536 CD PRO A 38 65.747 43.105 -17.714 1.00 0.00 C ATOM 0 HA PRO A 38 67.451 44.527 -15.327 1.00 0.00 H new ATOM 0 HB2 PRO A 38 68.517 44.933 -17.860 1.00 0.00 H new ATOM 0 HB3 PRO A 38 68.552 43.346 -17.118 1.00 0.00 H new ATOM 0 HG2 PRO A 38 66.621 44.442 -19.153 1.00 0.00 H new ATOM 0 HG3 PRO A 38 67.378 42.863 -19.095 1.00 0.00 H new ATOM 0 HD2 PRO A 38 64.814 43.248 -18.259 1.00 0.00 H new ATOM 0 HD3 PRO A 38 65.844 42.036 -17.523 1.00 0.00 H new ATOM 544 N THR A 39 65.627 46.523 -17.015 1.00 0.00 N ATOM 545 CA THR A 39 65.285 47.926 -17.208 1.00 0.00 C ATOM 546 C THR A 39 64.754 48.545 -15.920 1.00 0.00 C ATOM 547 O THR A 39 64.882 49.750 -15.699 1.00 0.00 O ATOM 548 CB THR A 39 64.233 48.100 -18.320 1.00 0.00 C ATOM 549 OG1 THR A 39 63.328 46.991 -18.316 1.00 0.00 O ATOM 550 CG2 THR A 39 64.900 48.212 -19.683 1.00 0.00 C ATOM 0 H THR A 39 64.917 45.867 -17.342 1.00 0.00 H new ATOM 0 HA THR A 39 66.202 48.437 -17.502 1.00 0.00 H new ATOM 0 HB THR A 39 63.681 49.020 -18.127 1.00 0.00 H new ATOM 0 HG1 THR A 39 62.662 47.110 -19.025 1.00 0.00 H new ATOM 0 HG21 THR A 39 64.138 48.334 -20.452 1.00 0.00 H new ATOM 0 HG22 THR A 39 65.566 49.075 -19.692 1.00 0.00 H new ATOM 0 HG23 THR A 39 65.475 47.308 -19.882 1.00 0.00 H new ATOM 558 N LEU A 40 64.158 47.714 -15.072 1.00 0.00 N ATOM 559 CA LEU A 40 63.608 48.180 -13.804 1.00 0.00 C ATOM 560 C LEU A 40 64.484 47.739 -12.636 1.00 0.00 C ATOM 561 O LEU A 40 63.993 47.174 -11.658 1.00 0.00 O ATOM 562 CB LEU A 40 62.185 47.650 -13.618 1.00 0.00 C ATOM 563 CG LEU A 40 61.211 47.926 -14.764 1.00 0.00 C ATOM 564 CD1 LEU A 40 60.060 46.932 -14.737 1.00 0.00 C ATOM 565 CD2 LEU A 40 60.687 49.353 -14.686 1.00 0.00 C ATOM 0 H LEU A 40 64.043 46.714 -15.239 1.00 0.00 H new ATOM 0 HA LEU A 40 63.584 49.270 -13.825 1.00 0.00 H new ATOM 0 HB2 LEU A 40 62.237 46.572 -13.464 1.00 0.00 H new ATOM 0 HB3 LEU A 40 61.774 48.083 -12.706 1.00 0.00 H new ATOM 0 HG LEU A 40 61.745 47.807 -15.707 1.00 0.00 H new ATOM 0 HD11 LEU A 40 59.377 47.144 -15.560 1.00 0.00 H new ATOM 0 HD12 LEU A 40 60.451 45.920 -14.841 1.00 0.00 H new ATOM 0 HD13 LEU A 40 59.526 47.019 -13.791 1.00 0.00 H new ATOM 0 HD21 LEU A 40 59.995 49.532 -15.509 1.00 0.00 H new ATOM 0 HD22 LEU A 40 60.169 49.499 -13.738 1.00 0.00 H new ATOM 0 HD23 LEU A 40 61.521 50.051 -14.755 1.00 0.00 H new ATOM 577 N TRP A 41 65.781 48.003 -12.743 1.00 0.00 N ATOM 578 CA TRP A 41 66.725 47.636 -11.694 1.00 0.00 C ATOM 579 C TRP A 41 67.042 48.832 -10.803 1.00 0.00 C ATOM 580 O TRP A 41 66.751 49.976 -11.156 1.00 0.00 O ATOM 581 CB TRP A 41 68.013 47.086 -12.308 1.00 0.00 C ATOM 582 CG TRP A 41 68.064 45.588 -12.340 1.00 0.00 C ATOM 583 CD1 TRP A 41 67.000 44.734 -12.403 1.00 0.00 C ATOM 584 CD2 TRP A 41 69.238 44.770 -12.310 1.00 0.00 C ATOM 585 NE1 TRP A 41 67.443 43.433 -12.413 1.00 0.00 N ATOM 586 CE2 TRP A 41 68.811 43.428 -12.357 1.00 0.00 C ATOM 587 CE3 TRP A 41 70.608 45.039 -12.249 1.00 0.00 C ATOM 588 CZ2 TRP A 41 69.707 42.362 -12.345 1.00 0.00 C ATOM 589 CZ3 TRP A 41 71.495 43.980 -12.236 1.00 0.00 C ATOM 590 CH2 TRP A 41 71.042 42.655 -12.285 1.00 0.00 C ATOM 0 H TRP A 41 66.203 48.470 -13.546 1.00 0.00 H new ATOM 0 HA TRP A 41 66.264 46.862 -11.080 1.00 0.00 H new ATOM 0 HB2 TRP A 41 68.114 47.468 -13.324 1.00 0.00 H new ATOM 0 HB3 TRP A 41 68.866 47.459 -11.741 1.00 0.00 H new ATOM 0 HD1 TRP A 41 65.964 45.036 -12.440 1.00 0.00 H new ATOM 0 HE1 TRP A 41 66.849 42.605 -12.455 1.00 0.00 H new ATOM 0 HE3 TRP A 41 70.967 46.057 -12.213 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 69.360 41.340 -12.382 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 72.556 44.177 -12.187 1.00 0.00 H new ATOM 0 HH2 TRP A 41 71.761 41.849 -12.275 1.00 0.00 H new ATOM 601 N THR A 42 67.640 48.563 -9.647 1.00 0.00 N ATOM 602 CA THR A 42 67.996 49.617 -8.706 1.00 0.00 C ATOM 603 C THR A 42 69.509 49.758 -8.584 1.00 0.00 C ATOM 604 O THR A 42 70.262 49.023 -9.222 1.00 0.00 O ATOM 605 CB THR A 42 67.402 49.348 -7.310 1.00 0.00 C ATOM 606 OG1 THR A 42 68.066 48.234 -6.702 1.00 0.00 O ATOM 607 CG2 THR A 42 65.910 49.067 -7.402 1.00 0.00 C ATOM 0 H THR A 42 67.888 47.623 -9.340 1.00 0.00 H new ATOM 0 HA THR A 42 67.578 50.544 -9.098 1.00 0.00 H new ATOM 0 HB THR A 42 67.551 50.238 -6.698 1.00 0.00 H new ATOM 0 HG1 THR A 42 67.577 47.410 -6.907 1.00 0.00 H new ATOM 0 HG21 THR A 42 65.513 48.880 -6.404 1.00 0.00 H new ATOM 0 HG22 THR A 42 65.404 49.928 -7.839 1.00 0.00 H new ATOM 0 HG23 THR A 42 65.743 48.191 -8.029 1.00 0.00 H new ATOM 615 N GLN A 43 69.945 50.706 -7.761 1.00 0.00 N ATOM 616 CA GLN A 43 71.370 50.942 -7.556 1.00 0.00 C ATOM 617 C GLN A 43 72.019 49.764 -6.837 1.00 0.00 C ATOM 618 O GLN A 43 73.215 49.517 -6.986 1.00 0.00 O ATOM 619 CB GLN A 43 71.585 52.226 -6.754 1.00 0.00 C ATOM 620 CG GLN A 43 70.822 52.258 -5.439 1.00 0.00 C ATOM 621 CD GLN A 43 71.740 52.289 -4.233 1.00 0.00 C ATOM 622 OE1 GLN A 43 72.710 51.535 -4.156 1.00 0.00 O ATOM 623 NE2 GLN A 43 71.437 53.165 -3.281 1.00 0.00 N ATOM 0 H GLN A 43 69.333 51.322 -7.226 1.00 0.00 H new ATOM 0 HA GLN A 43 71.839 51.050 -8.534 1.00 0.00 H new ATOM 0 HB2 GLN A 43 72.649 52.343 -6.550 1.00 0.00 H new ATOM 0 HB3 GLN A 43 71.282 53.079 -7.361 1.00 0.00 H new ATOM 0 HG2 GLN A 43 70.174 53.134 -5.420 1.00 0.00 H new ATOM 0 HG3 GLN A 43 70.176 51.382 -5.377 1.00 0.00 H new ATOM 0 HE21 GLN A 43 70.623 53.771 -3.386 1.00 0.00 H new ATOM 0 HE22 GLN A 43 72.018 53.231 -2.445 1.00 0.00 H new ATOM 632 N GLU A 44 71.221 49.041 -6.056 1.00 0.00 N ATOM 633 CA GLU A 44 71.720 47.890 -5.313 1.00 0.00 C ATOM 634 C GLU A 44 71.803 46.658 -6.210 1.00 0.00 C ATOM 635 O GLU A 44 72.797 45.931 -6.193 1.00 0.00 O ATOM 636 CB GLU A 44 70.817 47.600 -4.112 1.00 0.00 C ATOM 637 CG GLU A 44 71.521 46.865 -2.984 1.00 0.00 C ATOM 638 CD GLU A 44 70.608 45.897 -2.259 1.00 0.00 C ATOM 639 OE1 GLU A 44 69.462 46.284 -1.946 1.00 0.00 O ATOM 640 OE2 GLU A 44 71.038 44.753 -2.003 1.00 0.00 O ATOM 0 H GLU A 44 70.228 49.232 -5.922 1.00 0.00 H new ATOM 0 HA GLU A 44 72.722 48.127 -4.956 1.00 0.00 H new ATOM 0 HB2 GLU A 44 70.422 48.541 -3.730 1.00 0.00 H new ATOM 0 HB3 GLU A 44 69.964 47.007 -4.444 1.00 0.00 H new ATOM 0 HG2 GLU A 44 72.375 46.320 -3.387 1.00 0.00 H new ATOM 0 HG3 GLU A 44 71.914 47.591 -2.272 1.00 0.00 H new ATOM 647 N HIS A 45 70.753 46.430 -6.992 1.00 0.00 N ATOM 648 CA HIS A 45 70.706 45.287 -7.896 1.00 0.00 C ATOM 649 C HIS A 45 71.908 45.289 -8.836 1.00 0.00 C ATOM 650 O HIS A 45 72.332 44.239 -9.321 1.00 0.00 O ATOM 651 CB HIS A 45 69.410 45.303 -8.706 1.00 0.00 C ATOM 652 CG HIS A 45 68.206 44.889 -7.918 1.00 0.00 C ATOM 653 ND1 HIS A 45 67.148 45.735 -7.659 1.00 0.00 N ATOM 654 CD2 HIS A 45 67.894 43.710 -7.331 1.00 0.00 C ATOM 655 CE1 HIS A 45 66.239 45.095 -6.946 1.00 0.00 C ATOM 656 NE2 HIS A 45 66.667 43.864 -6.734 1.00 0.00 N ATOM 0 H HIS A 45 69.923 47.022 -7.018 1.00 0.00 H new ATOM 0 HA HIS A 45 70.738 44.378 -7.295 1.00 0.00 H new ATOM 0 HB2 HIS A 45 69.249 46.307 -9.099 1.00 0.00 H new ATOM 0 HB3 HIS A 45 69.519 44.639 -9.563 1.00 0.00 H new ATOM 0 HD2 HIS A 45 68.498 42.815 -7.332 1.00 0.00 H new ATOM 0 HE1 HIS A 45 65.305 45.508 -6.596 1.00 0.00 H new ATOM 0 HE2 HIS A 45 66.167 43.144 -6.212 1.00 0.00 H new ATOM 664 N VAL A 46 72.452 46.475 -9.091 1.00 0.00 N ATOM 665 CA VAL A 46 73.605 46.613 -9.973 1.00 0.00 C ATOM 666 C VAL A 46 74.895 46.235 -9.254 1.00 0.00 C ATOM 667 O VAL A 46 75.869 45.820 -9.883 1.00 0.00 O ATOM 668 CB VAL A 46 73.731 48.051 -10.510 1.00 0.00 C ATOM 669 CG1 VAL A 46 74.941 48.176 -11.423 1.00 0.00 C ATOM 670 CG2 VAL A 46 72.459 48.462 -11.236 1.00 0.00 C ATOM 0 H VAL A 46 72.113 47.354 -8.699 1.00 0.00 H new ATOM 0 HA VAL A 46 73.447 45.933 -10.810 1.00 0.00 H new ATOM 0 HB VAL A 46 73.873 48.725 -9.665 1.00 0.00 H new ATOM 0 HG11 VAL A 46 75.014 49.199 -11.793 1.00 0.00 H new ATOM 0 HG12 VAL A 46 75.844 47.926 -10.866 1.00 0.00 H new ATOM 0 HG13 VAL A 46 74.833 47.493 -12.265 1.00 0.00 H new ATOM 0 HG21 VAL A 46 72.566 49.481 -11.609 1.00 0.00 H new ATOM 0 HG22 VAL A 46 72.283 47.786 -12.073 1.00 0.00 H new ATOM 0 HG23 VAL A 46 71.615 48.414 -10.547 1.00 0.00 H new ATOM 680 N ARG A 47 74.895 46.381 -7.934 1.00 0.00 N ATOM 681 CA ARG A 47 76.066 46.056 -7.129 1.00 0.00 C ATOM 682 C ARG A 47 76.032 44.596 -6.685 1.00 0.00 C ATOM 683 O ARG A 47 76.970 43.840 -6.937 1.00 0.00 O ATOM 684 CB ARG A 47 76.141 46.971 -5.905 1.00 0.00 C ATOM 685 CG ARG A 47 77.228 48.028 -6.000 1.00 0.00 C ATOM 686 CD ARG A 47 78.302 47.820 -4.944 1.00 0.00 C ATOM 687 NE ARG A 47 77.830 48.171 -3.607 1.00 0.00 N ATOM 688 CZ ARG A 47 78.538 47.970 -2.501 1.00 0.00 C ATOM 689 NH1 ARG A 47 79.744 47.424 -2.573 1.00 0.00 N ATOM 690 NH2 ARG A 47 78.040 48.316 -1.321 1.00 0.00 N ATOM 0 H ARG A 47 74.097 46.722 -7.399 1.00 0.00 H new ATOM 0 HA ARG A 47 76.953 46.211 -7.744 1.00 0.00 H new ATOM 0 HB2 ARG A 47 75.178 47.464 -5.771 1.00 0.00 H new ATOM 0 HB3 ARG A 47 76.314 46.363 -5.017 1.00 0.00 H new ATOM 0 HG2 ARG A 47 77.680 47.998 -6.991 1.00 0.00 H new ATOM 0 HG3 ARG A 47 76.786 49.017 -5.881 1.00 0.00 H new ATOM 0 HD2 ARG A 47 78.623 46.778 -4.953 1.00 0.00 H new ATOM 0 HD3 ARG A 47 79.175 48.424 -5.191 1.00 0.00 H new ATOM 0 HE ARG A 47 76.906 48.594 -3.518 1.00 0.00 H new ATOM 0 HH11 ARG A 47 80.130 47.157 -3.479 1.00 0.00 H new ATOM 0 HH12 ARG A 47 80.286 47.271 -1.723 1.00 0.00 H new ATOM 0 HH21 ARG A 47 77.113 48.737 -1.262 1.00 0.00 H new ATOM 0 HH22 ARG A 47 78.584 48.161 -0.472 1.00 0.00 H new ATOM 704 N GLN A 48 74.947 44.210 -6.023 1.00 0.00 N ATOM 705 CA GLN A 48 74.792 42.841 -5.543 1.00 0.00 C ATOM 706 C GLN A 48 75.024 41.840 -6.669 1.00 0.00 C ATOM 707 O GLN A 48 75.658 40.804 -6.471 1.00 0.00 O ATOM 708 CB GLN A 48 73.398 42.642 -4.946 1.00 0.00 C ATOM 709 CG GLN A 48 73.363 42.756 -3.431 1.00 0.00 C ATOM 710 CD GLN A 48 72.308 41.866 -2.803 1.00 0.00 C ATOM 711 OE1 GLN A 48 72.626 40.936 -2.061 1.00 0.00 O ATOM 712 NE2 GLN A 48 71.044 42.146 -3.098 1.00 0.00 N ATOM 0 H GLN A 48 74.162 44.825 -5.806 1.00 0.00 H new ATOM 0 HA GLN A 48 75.539 42.668 -4.768 1.00 0.00 H new ATOM 0 HB2 GLN A 48 72.720 43.381 -5.373 1.00 0.00 H new ATOM 0 HB3 GLN A 48 73.024 41.660 -5.237 1.00 0.00 H new ATOM 0 HG2 GLN A 48 74.341 42.493 -3.028 1.00 0.00 H new ATOM 0 HG3 GLN A 48 73.171 43.792 -3.153 1.00 0.00 H new ATOM 0 HE21 GLN A 48 70.826 42.926 -3.718 1.00 0.00 H new ATOM 0 HE22 GLN A 48 70.291 41.581 -2.705 1.00 0.00 H new ATOM 721 N TRP A 49 74.506 42.156 -7.851 1.00 0.00 N ATOM 722 CA TRP A 49 74.656 41.283 -9.009 1.00 0.00 C ATOM 723 C TRP A 49 76.129 41.033 -9.315 1.00 0.00 C ATOM 724 O TRP A 49 76.563 39.886 -9.431 1.00 0.00 O ATOM 725 CB TRP A 49 73.966 41.896 -10.229 1.00 0.00 C ATOM 726 CG TRP A 49 74.224 41.143 -11.498 1.00 0.00 C ATOM 727 CD1 TRP A 49 73.865 39.854 -11.774 1.00 0.00 C ATOM 728 CD2 TRP A 49 74.897 41.632 -12.663 1.00 0.00 C ATOM 729 NE1 TRP A 49 74.275 39.512 -13.040 1.00 0.00 N ATOM 730 CE2 TRP A 49 74.910 40.586 -13.607 1.00 0.00 C ATOM 731 CE3 TRP A 49 75.489 42.851 -13.002 1.00 0.00 C ATOM 732 CZ2 TRP A 49 75.492 40.725 -14.864 1.00 0.00 C ATOM 733 CZ3 TRP A 49 76.067 42.987 -14.250 1.00 0.00 C ATOM 734 CH2 TRP A 49 76.065 41.930 -15.169 1.00 0.00 C ATOM 0 H TRP A 49 73.979 43.010 -8.032 1.00 0.00 H new ATOM 0 HA TRP A 49 74.185 40.328 -8.776 1.00 0.00 H new ATOM 0 HB2 TRP A 49 72.892 41.933 -10.049 1.00 0.00 H new ATOM 0 HB3 TRP A 49 74.305 42.925 -10.350 1.00 0.00 H new ATOM 0 HD1 TRP A 49 73.336 39.200 -11.096 1.00 0.00 H new ATOM 0 HE1 TRP A 49 74.130 38.606 -13.485 1.00 0.00 H new ATOM 0 HE3 TRP A 49 75.495 43.673 -12.301 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 75.491 39.911 -15.573 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 76.528 43.925 -14.521 1.00 0.00 H new ATOM 0 HH2 TRP A 49 76.524 42.068 -16.137 1.00 0.00 H new ATOM 745 N LEU A 50 76.893 42.112 -9.445 1.00 0.00 N ATOM 746 CA LEU A 50 78.319 42.009 -9.737 1.00 0.00 C ATOM 747 C LEU A 50 79.037 41.197 -8.665 1.00 0.00 C ATOM 748 O LEU A 50 79.728 40.225 -8.969 1.00 0.00 O ATOM 749 CB LEU A 50 78.940 43.403 -9.839 1.00 0.00 C ATOM 750 CG LEU A 50 80.148 43.534 -10.767 1.00 0.00 C ATOM 751 CD1 LEU A 50 79.697 43.689 -12.211 1.00 0.00 C ATOM 752 CD2 LEU A 50 81.018 44.710 -10.349 1.00 0.00 C ATOM 0 H LEU A 50 76.549 43.068 -9.353 1.00 0.00 H new ATOM 0 HA LEU A 50 78.433 41.496 -10.692 1.00 0.00 H new ATOM 0 HB2 LEU A 50 78.171 44.098 -10.177 1.00 0.00 H new ATOM 0 HB3 LEU A 50 79.239 43.720 -8.840 1.00 0.00 H new ATOM 0 HG LEU A 50 80.742 42.623 -10.689 1.00 0.00 H new ATOM 0 HD11 LEU A 50 80.570 43.781 -12.857 1.00 0.00 H new ATOM 0 HD12 LEU A 50 79.117 42.815 -12.507 1.00 0.00 H new ATOM 0 HD13 LEU A 50 79.080 44.583 -12.306 1.00 0.00 H new ATOM 0 HD21 LEU A 50 81.873 44.787 -11.021 1.00 0.00 H new ATOM 0 HD22 LEU A 50 80.434 45.629 -10.397 1.00 0.00 H new ATOM 0 HD23 LEU A 50 81.371 44.557 -9.329 1.00 0.00 H new ATOM 764 N GLU A 51 78.867 41.601 -7.410 1.00 0.00 N ATOM 765 CA GLU A 51 79.499 40.908 -6.293 1.00 0.00 C ATOM 766 C GLU A 51 79.110 39.433 -6.278 1.00 0.00 C ATOM 767 O GLU A 51 79.854 38.589 -5.777 1.00 0.00 O ATOM 768 CB GLU A 51 79.104 41.565 -4.968 1.00 0.00 C ATOM 769 CG GLU A 51 80.189 42.454 -4.383 1.00 0.00 C ATOM 770 CD GLU A 51 80.193 42.446 -2.866 1.00 0.00 C ATOM 771 OE1 GLU A 51 79.148 42.773 -2.268 1.00 0.00 O ATOM 772 OE2 GLU A 51 81.244 42.113 -2.279 1.00 0.00 O ATOM 0 H GLU A 51 78.298 42.404 -7.141 1.00 0.00 H new ATOM 0 HA GLU A 51 80.579 40.979 -6.418 1.00 0.00 H new ATOM 0 HB2 GLU A 51 78.203 42.159 -5.121 1.00 0.00 H new ATOM 0 HB3 GLU A 51 78.855 40.787 -4.246 1.00 0.00 H new ATOM 0 HG2 GLU A 51 81.161 42.122 -4.747 1.00 0.00 H new ATOM 0 HG3 GLU A 51 80.047 43.475 -4.737 1.00 0.00 H new ATOM 779 N TRP A 52 77.940 39.130 -6.828 1.00 0.00 N ATOM 780 CA TRP A 52 77.452 37.757 -6.877 1.00 0.00 C ATOM 781 C TRP A 52 78.127 36.978 -8.001 1.00 0.00 C ATOM 782 O TRP A 52 78.709 35.918 -7.771 1.00 0.00 O ATOM 783 CB TRP A 52 75.934 37.740 -7.070 1.00 0.00 C ATOM 784 CG TRP A 52 75.357 36.358 -7.116 1.00 0.00 C ATOM 785 CD1 TRP A 52 74.914 35.618 -6.057 1.00 0.00 C ATOM 786 CD2 TRP A 52 75.161 35.550 -8.282 1.00 0.00 C ATOM 787 NE1 TRP A 52 74.455 34.399 -6.494 1.00 0.00 N ATOM 788 CE2 TRP A 52 74.595 34.333 -7.855 1.00 0.00 C ATOM 789 CE3 TRP A 52 75.406 35.737 -9.645 1.00 0.00 C ATOM 790 CZ2 TRP A 52 74.273 33.310 -8.743 1.00 0.00 C ATOM 791 CZ3 TRP A 52 75.087 34.720 -10.525 1.00 0.00 C ATOM 792 CH2 TRP A 52 74.524 33.520 -10.072 1.00 0.00 C ATOM 0 H TRP A 52 77.312 39.816 -7.246 1.00 0.00 H new ATOM 0 HA TRP A 52 77.697 37.277 -5.929 1.00 0.00 H new ATOM 0 HB2 TRP A 52 75.465 38.295 -6.257 1.00 0.00 H new ATOM 0 HB3 TRP A 52 75.687 38.260 -7.995 1.00 0.00 H new ATOM 0 HD1 TRP A 52 74.923 35.943 -5.027 1.00 0.00 H new ATOM 0 HE1 TRP A 52 74.072 33.663 -5.901 1.00 0.00 H new ATOM 0 HE3 TRP A 52 75.837 36.660 -10.004 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 73.840 32.383 -8.395 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 75.275 34.853 -11.580 1.00 0.00 H new ATOM 0 HH2 TRP A 52 74.283 32.746 -10.785 1.00 0.00 H new ATOM 803 N ALA A 53 78.047 37.511 -9.215 1.00 0.00 N ATOM 804 CA ALA A 53 78.653 36.867 -10.374 1.00 0.00 C ATOM 805 C ALA A 53 80.129 36.572 -10.128 1.00 0.00 C ATOM 806 O ALA A 53 80.594 35.454 -10.353 1.00 0.00 O ATOM 807 CB ALA A 53 78.486 37.738 -11.610 1.00 0.00 C ATOM 0 H ALA A 53 77.568 38.388 -9.422 1.00 0.00 H new ATOM 0 HA ALA A 53 78.142 35.919 -10.540 1.00 0.00 H new ATOM 0 HB1 ALA A 53 78.943 37.244 -12.467 1.00 0.00 H new ATOM 0 HB2 ALA A 53 77.425 37.894 -11.804 1.00 0.00 H new ATOM 0 HB3 ALA A 53 78.970 38.701 -11.445 1.00 0.00 H new ATOM 813 N ILE A 54 80.860 37.581 -9.667 1.00 0.00 N ATOM 814 CA ILE A 54 82.284 37.428 -9.391 1.00 0.00 C ATOM 815 C ILE A 54 82.535 36.282 -8.416 1.00 0.00 C ATOM 816 O ILE A 54 83.609 35.681 -8.411 1.00 0.00 O ATOM 817 CB ILE A 54 82.886 38.722 -8.811 1.00 0.00 C ATOM 818 CG1 ILE A 54 82.668 39.889 -9.776 1.00 0.00 C ATOM 819 CG2 ILE A 54 84.369 38.533 -8.525 1.00 0.00 C ATOM 820 CD1 ILE A 54 82.865 41.246 -9.137 1.00 0.00 C ATOM 0 H ILE A 54 80.491 38.513 -9.477 1.00 0.00 H new ATOM 0 HA ILE A 54 82.768 37.205 -10.342 1.00 0.00 H new ATOM 0 HB ILE A 54 82.381 38.953 -7.873 1.00 0.00 H new ATOM 0 HG12 ILE A 54 83.355 39.789 -10.616 1.00 0.00 H new ATOM 0 HG13 ILE A 54 81.658 39.831 -10.182 1.00 0.00 H new ATOM 0 HG21 ILE A 54 84.781 39.455 -8.116 1.00 0.00 H new ATOM 0 HG22 ILE A 54 84.501 37.726 -7.805 1.00 0.00 H new ATOM 0 HG23 ILE A 54 84.889 38.282 -9.450 1.00 0.00 H new ATOM 0 HD11 ILE A 54 82.694 42.026 -9.879 1.00 0.00 H new ATOM 0 HD12 ILE A 54 82.160 41.367 -8.315 1.00 0.00 H new ATOM 0 HD13 ILE A 54 83.883 41.324 -8.756 1.00 0.00 H new ATOM 832 N LYS A 55 81.536 35.984 -7.593 1.00 0.00 N ATOM 833 CA LYS A 55 81.645 34.908 -6.615 1.00 0.00 C ATOM 834 C LYS A 55 81.290 33.564 -7.243 1.00 0.00 C ATOM 835 O LYS A 55 82.110 32.647 -7.273 1.00 0.00 O ATOM 836 CB LYS A 55 80.730 35.182 -5.419 1.00 0.00 C ATOM 837 CG LYS A 55 81.481 35.413 -4.119 1.00 0.00 C ATOM 838 CD LYS A 55 80.614 35.099 -2.912 1.00 0.00 C ATOM 839 CE LYS A 55 80.415 33.600 -2.743 1.00 0.00 C ATOM 840 NZ LYS A 55 80.175 33.229 -1.321 1.00 0.00 N ATOM 0 H LYS A 55 80.641 36.473 -7.584 1.00 0.00 H new ATOM 0 HA LYS A 55 82.679 34.867 -6.271 1.00 0.00 H new ATOM 0 HB2 LYS A 55 80.116 36.057 -5.635 1.00 0.00 H new ATOM 0 HB3 LYS A 55 80.050 34.339 -5.292 1.00 0.00 H new ATOM 0 HG2 LYS A 55 82.375 34.790 -4.098 1.00 0.00 H new ATOM 0 HG3 LYS A 55 81.814 36.450 -4.069 1.00 0.00 H new ATOM 0 HD2 LYS A 55 81.076 35.509 -2.014 1.00 0.00 H new ATOM 0 HD3 LYS A 55 79.645 35.586 -3.022 1.00 0.00 H new ATOM 0 HE2 LYS A 55 79.570 33.275 -3.351 1.00 0.00 H new ATOM 0 HE3 LYS A 55 81.295 33.073 -3.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 80.044 32.200 -1.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 80.992 33.516 -0.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 79.321 33.712 -0.976 1.00 0.00 H new ATOM 854 N GLU A 56 80.063 33.456 -7.744 1.00 0.00 N ATOM 855 CA GLU A 56 79.601 32.223 -8.372 1.00 0.00 C ATOM 856 C GLU A 56 80.511 31.829 -9.532 1.00 0.00 C ATOM 857 O GLU A 56 81.165 30.787 -9.495 1.00 0.00 O ATOM 858 CB GLU A 56 78.163 32.386 -8.869 1.00 0.00 C ATOM 859 CG GLU A 56 77.505 31.076 -9.266 1.00 0.00 C ATOM 860 CD GLU A 56 77.661 30.000 -8.209 1.00 0.00 C ATOM 861 OE1 GLU A 56 76.888 30.017 -7.228 1.00 0.00 O ATOM 862 OE2 GLU A 56 78.555 29.142 -8.362 1.00 0.00 O ATOM 0 H GLU A 56 79.372 34.206 -7.727 1.00 0.00 H new ATOM 0 HA GLU A 56 79.632 31.431 -7.624 1.00 0.00 H new ATOM 0 HB2 GLU A 56 77.569 32.859 -8.087 1.00 0.00 H new ATOM 0 HB3 GLU A 56 78.158 33.060 -9.726 1.00 0.00 H new ATOM 0 HG2 GLU A 56 76.445 31.248 -9.450 1.00 0.00 H new ATOM 0 HG3 GLU A 56 77.939 30.725 -10.203 1.00 0.00 H new ATOM 869 N TYR A 57 80.546 32.670 -10.560 1.00 0.00 N ATOM 870 CA TYR A 57 81.372 32.409 -11.732 1.00 0.00 C ATOM 871 C TYR A 57 82.850 32.352 -11.356 1.00 0.00 C ATOM 872 O TYR A 57 83.648 31.699 -12.027 1.00 0.00 O ATOM 873 CB TYR A 57 81.146 33.488 -12.792 1.00 0.00 C ATOM 874 CG TYR A 57 79.794 33.403 -13.464 1.00 0.00 C ATOM 875 CD1 TYR A 57 79.599 32.596 -14.578 1.00 0.00 C ATOM 876 CD2 TYR A 57 78.711 34.131 -12.985 1.00 0.00 C ATOM 877 CE1 TYR A 57 78.366 32.515 -15.195 1.00 0.00 C ATOM 878 CE2 TYR A 57 77.474 34.056 -13.595 1.00 0.00 C ATOM 879 CZ TYR A 57 77.306 33.247 -14.700 1.00 0.00 C ATOM 880 OH TYR A 57 76.076 33.170 -15.311 1.00 0.00 O ATOM 0 H TYR A 57 80.012 33.538 -10.605 1.00 0.00 H new ATOM 0 HA TYR A 57 81.082 31.441 -12.140 1.00 0.00 H new ATOM 0 HB2 TYR A 57 81.251 34.469 -12.328 1.00 0.00 H new ATOM 0 HB3 TYR A 57 81.925 33.409 -13.550 1.00 0.00 H new ATOM 0 HD1 TYR A 57 80.426 32.022 -14.968 1.00 0.00 H new ATOM 0 HD2 TYR A 57 78.839 34.766 -12.121 1.00 0.00 H new ATOM 0 HE1 TYR A 57 78.232 31.882 -16.060 1.00 0.00 H new ATOM 0 HE2 TYR A 57 76.643 34.628 -13.209 1.00 0.00 H new ATOM 0 HH TYR A 57 75.439 33.746 -14.838 1.00 0.00 H new ATOM 890 N SER A 58 83.205 33.041 -10.276 1.00 0.00 N ATOM 891 CA SER A 58 84.586 33.073 -9.810 1.00 0.00 C ATOM 892 C SER A 58 85.496 33.719 -10.850 1.00 0.00 C ATOM 893 O SER A 58 86.451 33.104 -11.326 1.00 0.00 O ATOM 894 CB SER A 58 85.075 31.656 -9.499 1.00 0.00 C ATOM 895 OG SER A 58 84.132 30.954 -8.708 1.00 0.00 O ATOM 0 H SER A 58 82.555 33.584 -9.708 1.00 0.00 H new ATOM 0 HA SER A 58 84.622 33.671 -8.899 1.00 0.00 H new ATOM 0 HB2 SER A 58 85.248 31.115 -10.429 1.00 0.00 H new ATOM 0 HB3 SER A 58 86.030 31.704 -8.975 1.00 0.00 H new ATOM 0 HG SER A 58 83.542 31.594 -8.258 1.00 0.00 H new ATOM 901 N LEU A 59 85.192 34.965 -11.200 1.00 0.00 N ATOM 902 CA LEU A 59 85.981 35.697 -12.184 1.00 0.00 C ATOM 903 C LEU A 59 87.267 36.232 -11.562 1.00 0.00 C ATOM 904 O LEU A 59 87.604 35.898 -10.427 1.00 0.00 O ATOM 905 CB LEU A 59 85.164 36.852 -12.765 1.00 0.00 C ATOM 906 CG LEU A 59 83.734 36.515 -13.192 1.00 0.00 C ATOM 907 CD1 LEU A 59 82.918 37.785 -13.373 1.00 0.00 C ATOM 908 CD2 LEU A 59 83.740 35.695 -14.473 1.00 0.00 C ATOM 0 H LEU A 59 84.405 35.489 -10.817 1.00 0.00 H new ATOM 0 HA LEU A 59 86.246 35.008 -12.986 1.00 0.00 H new ATOM 0 HB2 LEU A 59 85.122 37.650 -12.024 1.00 0.00 H new ATOM 0 HB3 LEU A 59 85.696 37.248 -13.630 1.00 0.00 H new ATOM 0 HG LEU A 59 83.271 35.919 -12.405 1.00 0.00 H new ATOM 0 HD11 LEU A 59 81.904 37.526 -13.677 1.00 0.00 H new ATOM 0 HD12 LEU A 59 82.886 38.334 -12.432 1.00 0.00 H new ATOM 0 HD13 LEU A 59 83.379 38.407 -14.140 1.00 0.00 H new ATOM 0 HD21 LEU A 59 82.715 35.464 -14.762 1.00 0.00 H new ATOM 0 HD22 LEU A 59 84.222 36.265 -15.268 1.00 0.00 H new ATOM 0 HD23 LEU A 59 84.288 34.767 -14.309 1.00 0.00 H new ATOM 920 N MET A 60 87.980 37.064 -12.314 1.00 0.00 N ATOM 921 CA MET A 60 89.228 37.648 -11.834 1.00 0.00 C ATOM 922 C MET A 60 89.586 38.897 -12.633 1.00 0.00 C ATOM 923 O MET A 60 89.514 38.900 -13.862 1.00 0.00 O ATOM 924 CB MET A 60 90.362 36.626 -11.927 1.00 0.00 C ATOM 925 CG MET A 60 90.563 36.066 -13.326 1.00 0.00 C ATOM 926 SD MET A 60 91.782 34.738 -13.374 1.00 0.00 S ATOM 927 CE MET A 60 91.505 34.084 -15.018 1.00 0.00 C ATOM 0 H MET A 60 87.716 37.349 -13.257 1.00 0.00 H new ATOM 0 HA MET A 60 89.090 37.933 -10.791 1.00 0.00 H new ATOM 0 HB2 MET A 60 91.289 37.093 -11.595 1.00 0.00 H new ATOM 0 HB3 MET A 60 90.156 35.804 -11.242 1.00 0.00 H new ATOM 0 HG2 MET A 60 89.611 35.694 -13.704 1.00 0.00 H new ATOM 0 HG3 MET A 60 90.879 36.868 -13.992 1.00 0.00 H new ATOM 0 HE1 MET A 60 92.187 33.253 -15.199 1.00 0.00 H new ATOM 0 HE2 MET A 60 90.476 33.734 -15.102 1.00 0.00 H new ATOM 0 HE3 MET A 60 91.684 34.866 -15.756 1.00 0.00 H new ATOM 937 N GLU A 61 89.971 39.956 -11.927 1.00 0.00 N ATOM 938 CA GLU A 61 90.339 41.211 -12.573 1.00 0.00 C ATOM 939 C GLU A 61 89.153 41.801 -13.330 1.00 0.00 C ATOM 940 O GLU A 61 89.040 41.646 -14.546 1.00 0.00 O ATOM 941 CB GLU A 61 91.512 40.992 -13.531 1.00 0.00 C ATOM 942 CG GLU A 61 92.640 40.169 -12.933 1.00 0.00 C ATOM 943 CD GLU A 61 93.853 40.096 -13.841 1.00 0.00 C ATOM 944 OE1 GLU A 61 93.804 39.348 -14.839 1.00 0.00 O ATOM 945 OE2 GLU A 61 94.852 40.789 -13.552 1.00 0.00 O ATOM 0 H GLU A 61 90.036 39.970 -10.909 1.00 0.00 H new ATOM 0 HA GLU A 61 90.639 41.915 -11.797 1.00 0.00 H new ATOM 0 HB2 GLU A 61 91.148 40.495 -14.430 1.00 0.00 H new ATOM 0 HB3 GLU A 61 91.904 41.961 -13.839 1.00 0.00 H new ATOM 0 HG2 GLU A 61 92.932 40.601 -11.976 1.00 0.00 H new ATOM 0 HG3 GLU A 61 92.281 39.160 -12.731 1.00 0.00 H new ATOM 952 N ILE A 62 88.271 42.478 -12.601 1.00 0.00 N ATOM 953 CA ILE A 62 87.094 43.092 -13.204 1.00 0.00 C ATOM 954 C ILE A 62 86.836 44.476 -12.618 1.00 0.00 C ATOM 955 O ILE A 62 87.021 44.699 -11.421 1.00 0.00 O ATOM 956 CB ILE A 62 85.840 42.220 -13.005 1.00 0.00 C ATOM 957 CG1 ILE A 62 84.676 42.766 -13.834 1.00 0.00 C ATOM 958 CG2 ILE A 62 85.466 42.159 -11.531 1.00 0.00 C ATOM 959 CD1 ILE A 62 83.461 41.866 -13.836 1.00 0.00 C ATOM 0 H ILE A 62 88.349 42.615 -11.593 1.00 0.00 H new ATOM 0 HA ILE A 62 87.297 43.184 -14.271 1.00 0.00 H new ATOM 0 HB ILE A 62 86.061 41.208 -13.346 1.00 0.00 H new ATOM 0 HG12 ILE A 62 84.392 43.745 -13.447 1.00 0.00 H new ATOM 0 HG13 ILE A 62 85.010 42.914 -14.861 1.00 0.00 H new ATOM 0 HG21 ILE A 62 84.578 41.539 -11.406 1.00 0.00 H new ATOM 0 HG22 ILE A 62 86.291 41.729 -10.964 1.00 0.00 H new ATOM 0 HG23 ILE A 62 85.260 43.165 -11.166 1.00 0.00 H new ATOM 0 HD11 ILE A 62 82.676 42.316 -14.443 1.00 0.00 H new ATOM 0 HD12 ILE A 62 83.729 40.894 -14.251 1.00 0.00 H new ATOM 0 HD13 ILE A 62 83.101 41.738 -12.815 1.00 0.00 H new ATOM 971 N ASP A 63 86.406 45.401 -13.468 1.00 0.00 N ATOM 972 CA ASP A 63 86.118 46.763 -13.034 1.00 0.00 C ATOM 973 C ASP A 63 84.887 46.799 -12.134 1.00 0.00 C ATOM 974 O ASP A 63 83.863 46.187 -12.440 1.00 0.00 O ATOM 975 CB ASP A 63 85.906 47.673 -14.246 1.00 0.00 C ATOM 976 CG ASP A 63 87.213 48.149 -14.848 1.00 0.00 C ATOM 977 OD1 ASP A 63 88.139 47.322 -14.988 1.00 0.00 O ATOM 978 OD2 ASP A 63 87.310 49.349 -15.181 1.00 0.00 O ATOM 0 H ASP A 63 86.249 45.233 -14.462 1.00 0.00 H new ATOM 0 HA ASP A 63 86.973 47.124 -12.463 1.00 0.00 H new ATOM 0 HB2 ASP A 63 85.334 47.137 -15.004 1.00 0.00 H new ATOM 0 HB3 ASP A 63 85.311 48.536 -13.949 1.00 0.00 H new ATOM 983 N THR A 64 84.994 47.518 -11.021 1.00 0.00 N ATOM 984 CA THR A 64 83.891 47.631 -10.075 1.00 0.00 C ATOM 985 C THR A 64 83.394 49.069 -9.981 1.00 0.00 C ATOM 986 O THR A 64 82.202 49.312 -9.788 1.00 0.00 O ATOM 987 CB THR A 64 84.304 47.150 -8.672 1.00 0.00 C ATOM 988 OG1 THR A 64 85.727 47.219 -8.528 1.00 0.00 O ATOM 989 CG2 THR A 64 83.833 45.724 -8.429 1.00 0.00 C ATOM 0 H THR A 64 85.834 48.031 -10.753 1.00 0.00 H new ATOM 0 HA THR A 64 83.088 46.995 -10.447 1.00 0.00 H new ATOM 0 HB THR A 64 83.834 47.802 -7.936 1.00 0.00 H new ATOM 0 HG1 THR A 64 85.980 46.913 -7.632 1.00 0.00 H new ATOM 0 HG21 THR A 64 84.136 45.406 -7.432 1.00 0.00 H new ATOM 0 HG22 THR A 64 82.747 45.681 -8.509 1.00 0.00 H new ATOM 0 HG23 THR A 64 84.278 45.062 -9.172 1.00 0.00 H new ATOM 997 N SER A 65 84.313 50.019 -10.118 1.00 0.00 N ATOM 998 CA SER A 65 83.967 51.434 -10.045 1.00 0.00 C ATOM 999 C SER A 65 82.923 51.793 -11.098 1.00 0.00 C ATOM 1000 O SER A 65 82.132 52.718 -10.914 1.00 0.00 O ATOM 1001 CB SER A 65 85.217 52.296 -10.235 1.00 0.00 C ATOM 1002 OG SER A 65 85.603 52.342 -11.597 1.00 0.00 O ATOM 0 H SER A 65 85.303 49.835 -10.280 1.00 0.00 H new ATOM 0 HA SER A 65 83.545 51.630 -9.059 1.00 0.00 H new ATOM 0 HB2 SER A 65 85.024 53.306 -9.874 1.00 0.00 H new ATOM 0 HB3 SER A 65 86.034 51.894 -9.636 1.00 0.00 H new ATOM 0 HG SER A 65 86.403 52.900 -11.692 1.00 0.00 H new ATOM 1008 N PHE A 66 82.928 51.055 -12.203 1.00 0.00 N ATOM 1009 CA PHE A 66 81.983 51.295 -13.287 1.00 0.00 C ATOM 1010 C PHE A 66 80.564 50.928 -12.863 1.00 0.00 C ATOM 1011 O PHE A 66 79.590 51.501 -13.352 1.00 0.00 O ATOM 1012 CB PHE A 66 82.380 50.490 -14.527 1.00 0.00 C ATOM 1013 CG PHE A 66 82.303 51.277 -15.803 1.00 0.00 C ATOM 1014 CD1 PHE A 66 83.287 52.197 -16.126 1.00 0.00 C ATOM 1015 CD2 PHE A 66 81.246 51.096 -16.681 1.00 0.00 C ATOM 1016 CE1 PHE A 66 83.217 52.924 -17.300 1.00 0.00 C ATOM 1017 CE2 PHE A 66 81.171 51.820 -17.856 1.00 0.00 C ATOM 1018 CZ PHE A 66 82.159 52.734 -18.167 1.00 0.00 C ATOM 0 H PHE A 66 83.576 50.286 -12.371 1.00 0.00 H new ATOM 0 HA PHE A 66 82.009 52.358 -13.528 1.00 0.00 H new ATOM 0 HB2 PHE A 66 83.397 50.119 -14.399 1.00 0.00 H new ATOM 0 HB3 PHE A 66 81.731 49.618 -14.608 1.00 0.00 H new ATOM 0 HD1 PHE A 66 84.118 52.348 -15.453 1.00 0.00 H new ATOM 0 HD2 PHE A 66 80.472 50.381 -16.444 1.00 0.00 H new ATOM 0 HE1 PHE A 66 83.989 53.640 -17.539 1.00 0.00 H new ATOM 0 HE2 PHE A 66 80.341 51.671 -18.530 1.00 0.00 H new ATOM 0 HZ PHE A 66 82.104 53.299 -19.086 1.00 0.00 H new ATOM 1028 N PHE A 67 80.455 49.969 -11.949 1.00 0.00 N ATOM 1029 CA PHE A 67 79.156 49.525 -11.459 1.00 0.00 C ATOM 1030 C PHE A 67 78.925 49.997 -10.026 1.00 0.00 C ATOM 1031 O PHE A 67 78.223 49.345 -9.253 1.00 0.00 O ATOM 1032 CB PHE A 67 79.056 47.999 -11.527 1.00 0.00 C ATOM 1033 CG PHE A 67 79.508 47.428 -12.841 1.00 0.00 C ATOM 1034 CD1 PHE A 67 78.672 47.452 -13.946 1.00 0.00 C ATOM 1035 CD2 PHE A 67 80.768 46.866 -12.970 1.00 0.00 C ATOM 1036 CE1 PHE A 67 79.085 46.927 -15.156 1.00 0.00 C ATOM 1037 CE2 PHE A 67 81.186 46.340 -14.178 1.00 0.00 C ATOM 1038 CZ PHE A 67 80.343 46.369 -15.272 1.00 0.00 C ATOM 0 H PHE A 67 81.251 49.485 -11.533 1.00 0.00 H new ATOM 0 HA PHE A 67 78.387 49.962 -12.096 1.00 0.00 H new ATOM 0 HB2 PHE A 67 79.656 47.567 -10.726 1.00 0.00 H new ATOM 0 HB3 PHE A 67 78.023 47.702 -11.347 1.00 0.00 H new ATOM 0 HD1 PHE A 67 77.687 47.886 -13.861 1.00 0.00 H new ATOM 0 HD2 PHE A 67 81.431 46.839 -12.118 1.00 0.00 H new ATOM 0 HE1 PHE A 67 78.425 46.953 -16.010 1.00 0.00 H new ATOM 0 HE2 PHE A 67 82.171 45.907 -14.267 1.00 0.00 H new ATOM 0 HZ PHE A 67 80.667 45.956 -16.216 1.00 0.00 H new ATOM 1048 N GLN A 68 79.520 51.134 -9.681 1.00 0.00 N ATOM 1049 CA GLN A 68 79.380 51.692 -8.341 1.00 0.00 C ATOM 1050 C GLN A 68 78.030 52.382 -8.177 1.00 0.00 C ATOM 1051 O GLN A 68 77.444 52.371 -7.095 1.00 0.00 O ATOM 1052 CB GLN A 68 80.510 52.684 -8.059 1.00 0.00 C ATOM 1053 CG GLN A 68 80.407 53.969 -8.865 1.00 0.00 C ATOM 1054 CD GLN A 68 79.616 55.045 -8.149 1.00 0.00 C ATOM 1055 OE1 GLN A 68 79.199 54.867 -7.004 1.00 0.00 O ATOM 1056 NE2 GLN A 68 79.406 56.172 -8.820 1.00 0.00 N ATOM 0 H GLN A 68 80.103 51.686 -10.310 1.00 0.00 H new ATOM 0 HA GLN A 68 79.438 50.872 -7.625 1.00 0.00 H new ATOM 0 HB2 GLN A 68 80.510 52.930 -6.997 1.00 0.00 H new ATOM 0 HB3 GLN A 68 81.465 52.205 -8.275 1.00 0.00 H new ATOM 0 HG2 GLN A 68 81.409 54.341 -9.078 1.00 0.00 H new ATOM 0 HG3 GLN A 68 79.936 53.755 -9.824 1.00 0.00 H new ATOM 0 HE21 GLN A 68 79.770 56.277 -9.767 1.00 0.00 H new ATOM 0 HE22 GLN A 68 78.881 56.932 -8.388 1.00 0.00 H new ATOM 1065 N ASN A 69 77.541 52.980 -9.258 1.00 0.00 N ATOM 1066 CA ASN A 69 76.260 53.676 -9.234 1.00 0.00 C ATOM 1067 C ASN A 69 75.713 53.859 -10.646 1.00 0.00 C ATOM 1068 O ASN A 69 75.267 54.945 -11.014 1.00 0.00 O ATOM 1069 CB ASN A 69 76.408 55.038 -8.552 1.00 0.00 C ATOM 1070 CG ASN A 69 75.071 55.713 -8.312 1.00 0.00 C ATOM 1071 OD1 ASN A 69 74.165 55.127 -7.720 1.00 0.00 O ATOM 1072 ND2 ASN A 69 74.943 56.952 -8.772 1.00 0.00 N ATOM 0 H ASN A 69 78.013 52.997 -10.162 1.00 0.00 H new ATOM 0 HA ASN A 69 75.556 53.068 -8.667 1.00 0.00 H new ATOM 0 HB2 ASN A 69 76.924 54.911 -7.600 1.00 0.00 H new ATOM 0 HB3 ASN A 69 77.033 55.684 -9.169 1.00 0.00 H new ATOM 0 HD21 ASN A 69 74.067 57.457 -8.640 1.00 0.00 H new ATOM 0 HD22 ASN A 69 75.721 57.399 -9.257 1.00 0.00 H new ATOM 1079 N MET A 70 75.750 52.788 -11.433 1.00 0.00 N ATOM 1080 CA MET A 70 75.257 52.830 -12.804 1.00 0.00 C ATOM 1081 C MET A 70 73.765 52.514 -12.855 1.00 0.00 C ATOM 1082 O MET A 70 73.283 51.635 -12.140 1.00 0.00 O ATOM 1083 CB MET A 70 76.030 51.840 -13.678 1.00 0.00 C ATOM 1084 CG MET A 70 75.782 52.021 -15.166 1.00 0.00 C ATOM 1085 SD MET A 70 77.301 52.312 -16.093 1.00 0.00 S ATOM 1086 CE MET A 70 77.763 50.636 -16.521 1.00 0.00 C ATOM 0 H MET A 70 76.116 51.881 -11.144 1.00 0.00 H new ATOM 0 HA MET A 70 75.410 53.839 -13.188 1.00 0.00 H new ATOM 0 HB2 MET A 70 77.096 51.949 -13.480 1.00 0.00 H new ATOM 0 HB3 MET A 70 75.755 50.825 -13.393 1.00 0.00 H new ATOM 0 HG2 MET A 70 75.286 51.133 -15.558 1.00 0.00 H new ATOM 0 HG3 MET A 70 75.102 52.859 -15.318 1.00 0.00 H new ATOM 0 HE1 MET A 70 78.518 50.656 -17.307 1.00 0.00 H new ATOM 0 HE2 MET A 70 78.167 50.134 -15.642 1.00 0.00 H new ATOM 0 HE3 MET A 70 76.885 50.096 -16.875 1.00 0.00 H new ATOM 1096 N ASP A 71 73.041 53.235 -13.703 1.00 0.00 N ATOM 1097 CA ASP A 71 71.604 53.031 -13.847 1.00 0.00 C ATOM 1098 C ASP A 71 71.308 51.663 -14.454 1.00 0.00 C ATOM 1099 O ASP A 71 71.972 51.234 -15.397 1.00 0.00 O ATOM 1100 CB ASP A 71 70.995 54.132 -14.717 1.00 0.00 C ATOM 1101 CG ASP A 71 71.609 55.491 -14.445 1.00 0.00 C ATOM 1102 OD1 ASP A 71 71.099 56.206 -13.557 1.00 0.00 O ATOM 1103 OD2 ASP A 71 72.601 55.839 -15.120 1.00 0.00 O ATOM 0 H ASP A 71 73.425 53.966 -14.301 1.00 0.00 H new ATOM 0 HA ASP A 71 71.155 53.073 -12.855 1.00 0.00 H new ATOM 0 HB2 ASP A 71 71.133 53.878 -15.768 1.00 0.00 H new ATOM 0 HB3 ASP A 71 69.921 54.180 -14.539 1.00 0.00 H new ATOM 1108 N GLY A 72 70.307 50.982 -13.905 1.00 0.00 N ATOM 1109 CA GLY A 72 69.941 49.669 -14.405 1.00 0.00 C ATOM 1110 C GLY A 72 69.700 49.665 -15.902 1.00 0.00 C ATOM 1111 O GLY A 72 69.972 48.673 -16.579 1.00 0.00 O ATOM 0 H GLY A 72 69.743 51.316 -13.123 1.00 0.00 H new ATOM 0 HA2 GLY A 72 70.733 48.959 -14.166 1.00 0.00 H new ATOM 0 HA3 GLY A 72 69.041 49.327 -13.894 1.00 0.00 H new ATOM 1115 N LYS A 73 69.187 50.775 -16.420 1.00 0.00 N ATOM 1116 CA LYS A 73 68.909 50.897 -17.846 1.00 0.00 C ATOM 1117 C LYS A 73 70.204 50.956 -18.650 1.00 0.00 C ATOM 1118 O LYS A 73 70.293 50.395 -19.742 1.00 0.00 O ATOM 1119 CB LYS A 73 68.070 52.148 -18.118 1.00 0.00 C ATOM 1120 CG LYS A 73 66.577 51.877 -18.180 1.00 0.00 C ATOM 1121 CD LYS A 73 65.844 52.968 -18.942 1.00 0.00 C ATOM 1122 CE LYS A 73 65.529 52.538 -20.367 1.00 0.00 C ATOM 1123 NZ LYS A 73 64.063 52.442 -20.606 1.00 0.00 N ATOM 0 H LYS A 73 68.955 51.604 -15.873 1.00 0.00 H new ATOM 0 HA LYS A 73 68.348 50.016 -18.158 1.00 0.00 H new ATOM 0 HB2 LYS A 73 68.265 52.883 -17.337 1.00 0.00 H new ATOM 0 HB3 LYS A 73 68.390 52.592 -19.061 1.00 0.00 H new ATOM 0 HG2 LYS A 73 66.401 50.915 -18.661 1.00 0.00 H new ATOM 0 HG3 LYS A 73 66.177 51.806 -17.169 1.00 0.00 H new ATOM 0 HD2 LYS A 73 64.918 53.217 -18.423 1.00 0.00 H new ATOM 0 HD3 LYS A 73 66.452 53.872 -18.960 1.00 0.00 H new ATOM 0 HE2 LYS A 73 65.965 53.251 -21.066 1.00 0.00 H new ATOM 0 HE3 LYS A 73 65.993 51.572 -20.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 63.890 52.146 -21.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 63.650 51.743 -19.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 63.623 53.370 -20.441 1.00 0.00 H new ATOM 1137 N GLU A 74 71.205 51.637 -18.102 1.00 0.00 N ATOM 1138 CA GLU A 74 72.495 51.768 -18.770 1.00 0.00 C ATOM 1139 C GLU A 74 73.130 50.399 -18.998 1.00 0.00 C ATOM 1140 O GLU A 74 73.789 50.169 -20.014 1.00 0.00 O ATOM 1141 CB GLU A 74 73.436 52.647 -17.943 1.00 0.00 C ATOM 1142 CG GLU A 74 73.769 53.973 -18.606 1.00 0.00 C ATOM 1143 CD GLU A 74 75.258 54.154 -18.832 1.00 0.00 C ATOM 1144 OE1 GLU A 74 75.863 53.299 -19.512 1.00 0.00 O ATOM 1145 OE2 GLU A 74 75.817 55.151 -18.329 1.00 0.00 O ATOM 0 H GLU A 74 71.148 52.106 -17.198 1.00 0.00 H new ATOM 0 HA GLU A 74 72.328 52.239 -19.739 1.00 0.00 H new ATOM 0 HB2 GLU A 74 72.980 52.840 -16.972 1.00 0.00 H new ATOM 0 HB3 GLU A 74 74.361 52.101 -17.758 1.00 0.00 H new ATOM 0 HG2 GLU A 74 73.250 54.038 -19.562 1.00 0.00 H new ATOM 0 HG3 GLU A 74 73.398 54.789 -17.986 1.00 0.00 H new ATOM 1152 N LEU A 75 72.928 49.494 -18.047 1.00 0.00 N ATOM 1153 CA LEU A 75 73.481 48.147 -18.143 1.00 0.00 C ATOM 1154 C LEU A 75 73.018 47.458 -19.423 1.00 0.00 C ATOM 1155 O LEU A 75 73.706 46.586 -19.955 1.00 0.00 O ATOM 1156 CB LEU A 75 73.069 47.318 -16.926 1.00 0.00 C ATOM 1157 CG LEU A 75 74.171 47.030 -15.906 1.00 0.00 C ATOM 1158 CD1 LEU A 75 74.781 48.327 -15.399 1.00 0.00 C ATOM 1159 CD2 LEU A 75 73.625 46.207 -14.748 1.00 0.00 C ATOM 0 H LEU A 75 72.386 49.668 -17.201 1.00 0.00 H new ATOM 0 HA LEU A 75 74.568 48.228 -18.169 1.00 0.00 H new ATOM 0 HB2 LEU A 75 72.257 47.836 -16.417 1.00 0.00 H new ATOM 0 HB3 LEU A 75 72.669 46.367 -17.278 1.00 0.00 H new ATOM 0 HG LEU A 75 74.953 46.453 -16.399 1.00 0.00 H new ATOM 0 HD11 LEU A 75 75.563 48.102 -14.674 1.00 0.00 H new ATOM 0 HD12 LEU A 75 75.209 48.879 -16.236 1.00 0.00 H new ATOM 0 HD13 LEU A 75 74.008 48.931 -14.923 1.00 0.00 H new ATOM 0 HD21 LEU A 75 74.423 46.012 -14.032 1.00 0.00 H new ATOM 0 HD22 LEU A 75 72.823 46.758 -14.256 1.00 0.00 H new ATOM 0 HD23 LEU A 75 73.237 45.261 -15.125 1.00 0.00 H new ATOM 1171 N CYS A 76 71.849 47.856 -19.913 1.00 0.00 N ATOM 1172 CA CYS A 76 71.294 47.278 -21.131 1.00 0.00 C ATOM 1173 C CYS A 76 71.947 47.886 -22.368 1.00 0.00 C ATOM 1174 O CYS A 76 72.263 47.181 -23.327 1.00 0.00 O ATOM 1175 CB CYS A 76 69.781 47.495 -21.180 1.00 0.00 C ATOM 1176 SG CYS A 76 68.820 46.182 -20.392 1.00 0.00 S ATOM 0 H CYS A 76 71.268 48.577 -19.485 1.00 0.00 H new ATOM 0 HA CYS A 76 71.500 46.208 -21.122 1.00 0.00 H new ATOM 0 HB2 CYS A 76 69.545 48.443 -20.697 1.00 0.00 H new ATOM 0 HB3 CYS A 76 69.471 47.582 -22.221 1.00 0.00 H new ATOM 0 HG CYS A 76 67.553 46.457 -20.483 1.00 0.00 H new ATOM 1182 N LYS A 77 72.147 49.199 -22.340 1.00 0.00 N ATOM 1183 CA LYS A 77 72.763 49.904 -23.459 1.00 0.00 C ATOM 1184 C LYS A 77 74.193 49.423 -23.683 1.00 0.00 C ATOM 1185 O LYS A 77 74.709 49.482 -24.799 1.00 0.00 O ATOM 1186 CB LYS A 77 72.754 51.413 -23.204 1.00 0.00 C ATOM 1187 CG LYS A 77 71.418 52.072 -23.499 1.00 0.00 C ATOM 1188 CD LYS A 77 70.998 53.007 -22.377 1.00 0.00 C ATOM 1189 CE LYS A 77 69.506 53.300 -22.424 1.00 0.00 C ATOM 1190 NZ LYS A 77 69.183 54.631 -21.840 1.00 0.00 N ATOM 0 H LYS A 77 71.892 49.797 -21.554 1.00 0.00 H new ATOM 0 HA LYS A 77 72.182 49.690 -24.356 1.00 0.00 H new ATOM 0 HB2 LYS A 77 73.019 51.599 -22.163 1.00 0.00 H new ATOM 0 HB3 LYS A 77 73.524 51.881 -23.817 1.00 0.00 H new ATOM 0 HG2 LYS A 77 71.485 52.630 -24.433 1.00 0.00 H new ATOM 0 HG3 LYS A 77 70.656 51.305 -23.639 1.00 0.00 H new ATOM 0 HD2 LYS A 77 71.252 52.560 -21.416 1.00 0.00 H new ATOM 0 HD3 LYS A 77 71.556 53.941 -22.452 1.00 0.00 H new ATOM 0 HE2 LYS A 77 69.161 53.264 -23.457 1.00 0.00 H new ATOM 0 HE3 LYS A 77 68.966 52.524 -21.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 68.157 54.793 -21.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 69.489 54.658 -20.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 69.677 55.374 -22.374 1.00 0.00 H new ATOM 1204 N MET A 78 74.827 48.948 -22.617 1.00 0.00 N ATOM 1205 CA MET A 78 76.197 48.455 -22.699 1.00 0.00 C ATOM 1206 C MET A 78 76.294 47.279 -23.666 1.00 0.00 C ATOM 1207 O MET A 78 75.563 46.298 -23.540 1.00 0.00 O ATOM 1208 CB MET A 78 76.695 48.034 -21.315 1.00 0.00 C ATOM 1209 CG MET A 78 76.847 49.195 -20.346 1.00 0.00 C ATOM 1210 SD MET A 78 78.553 49.762 -20.204 1.00 0.00 S ATOM 1211 CE MET A 78 79.343 48.297 -19.544 1.00 0.00 C ATOM 0 H MET A 78 74.414 48.894 -21.686 1.00 0.00 H new ATOM 0 HA MET A 78 76.826 49.263 -23.072 1.00 0.00 H new ATOM 0 HB2 MET A 78 76.000 47.308 -20.893 1.00 0.00 H new ATOM 0 HB3 MET A 78 77.656 47.531 -21.421 1.00 0.00 H new ATOM 0 HG2 MET A 78 76.219 50.023 -20.676 1.00 0.00 H new ATOM 0 HG3 MET A 78 76.486 48.893 -19.363 1.00 0.00 H new ATOM 0 HE1 MET A 78 80.270 48.578 -19.043 1.00 0.00 H new ATOM 0 HE2 MET A 78 78.676 47.815 -18.829 1.00 0.00 H new ATOM 0 HE3 MET A 78 79.565 47.606 -20.357 1.00 0.00 H new ATOM 1221 N ASN A 79 77.202 47.386 -24.631 1.00 0.00 N ATOM 1222 CA ASN A 79 77.393 46.331 -25.620 1.00 0.00 C ATOM 1223 C ASN A 79 78.744 45.646 -25.431 1.00 0.00 C ATOM 1224 O ASN A 79 79.481 45.952 -24.493 1.00 0.00 O ATOM 1225 CB ASN A 79 77.294 46.906 -27.035 1.00 0.00 C ATOM 1226 CG ASN A 79 75.877 47.305 -27.399 1.00 0.00 C ATOM 1227 OD1 ASN A 79 74.936 46.534 -27.210 1.00 0.00 O ATOM 1228 ND2 ASN A 79 75.720 48.514 -27.924 1.00 0.00 N ATOM 0 H ASN A 79 77.816 48.192 -24.749 1.00 0.00 H new ATOM 0 HA ASN A 79 76.607 45.589 -25.480 1.00 0.00 H new ATOM 0 HB2 ASN A 79 77.946 47.776 -27.117 1.00 0.00 H new ATOM 0 HB3 ASN A 79 77.656 46.168 -27.750 1.00 0.00 H new ATOM 0 HD21 ASN A 79 74.790 48.838 -28.189 1.00 0.00 H new ATOM 0 HD22 ASN A 79 76.529 49.119 -28.062 1.00 0.00 H new ATOM 1235 N LYS A 80 79.062 44.719 -26.328 1.00 0.00 N ATOM 1236 CA LYS A 80 80.323 43.991 -26.262 1.00 0.00 C ATOM 1237 C LYS A 80 81.503 44.954 -26.175 1.00 0.00 C ATOM 1238 O LYS A 80 82.523 44.646 -25.560 1.00 0.00 O ATOM 1239 CB LYS A 80 80.479 43.088 -27.487 1.00 0.00 C ATOM 1240 CG LYS A 80 81.647 42.122 -27.387 1.00 0.00 C ATOM 1241 CD LYS A 80 81.214 40.779 -26.823 1.00 0.00 C ATOM 1242 CE LYS A 80 81.369 39.668 -27.850 1.00 0.00 C ATOM 1243 NZ LYS A 80 80.366 39.779 -28.944 1.00 0.00 N ATOM 0 H LYS A 80 78.463 44.454 -27.110 1.00 0.00 H new ATOM 0 HA LYS A 80 80.311 43.375 -25.363 1.00 0.00 H new ATOM 0 HB2 LYS A 80 79.560 42.520 -27.628 1.00 0.00 H new ATOM 0 HB3 LYS A 80 80.608 43.710 -28.372 1.00 0.00 H new ATOM 0 HG2 LYS A 80 82.087 41.978 -28.374 1.00 0.00 H new ATOM 0 HG3 LYS A 80 82.422 42.551 -26.752 1.00 0.00 H new ATOM 0 HD2 LYS A 80 81.808 40.545 -25.940 1.00 0.00 H new ATOM 0 HD3 LYS A 80 80.174 40.836 -26.501 1.00 0.00 H new ATOM 0 HE2 LYS A 80 82.373 39.702 -28.273 1.00 0.00 H new ATOM 0 HE3 LYS A 80 81.264 38.701 -27.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 80.505 39.004 -29.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 79.408 39.721 -28.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 80.483 40.691 -29.431 1.00 0.00 H new ATOM 1257 N GLU A 81 81.355 46.122 -26.793 1.00 0.00 N ATOM 1258 CA GLU A 81 82.409 47.130 -26.783 1.00 0.00 C ATOM 1259 C GLU A 81 82.454 47.858 -25.443 1.00 0.00 C ATOM 1260 O GLU A 81 83.495 47.911 -24.788 1.00 0.00 O ATOM 1261 CB GLU A 81 82.194 48.136 -27.916 1.00 0.00 C ATOM 1262 CG GLU A 81 82.200 47.506 -29.299 1.00 0.00 C ATOM 1263 CD GLU A 81 82.776 48.428 -30.356 1.00 0.00 C ATOM 1264 OE1 GLU A 81 83.894 48.945 -30.149 1.00 0.00 O ATOM 1265 OE2 GLU A 81 82.109 48.631 -31.392 1.00 0.00 O ATOM 0 H GLU A 81 80.516 46.393 -27.306 1.00 0.00 H new ATOM 0 HA GLU A 81 83.362 46.623 -26.933 1.00 0.00 H new ATOM 0 HB2 GLU A 81 81.243 48.646 -27.762 1.00 0.00 H new ATOM 0 HB3 GLU A 81 82.974 48.896 -27.869 1.00 0.00 H new ATOM 0 HG2 GLU A 81 82.780 46.583 -29.272 1.00 0.00 H new ATOM 0 HG3 GLU A 81 81.181 47.234 -29.575 1.00 0.00 H new ATOM 1272 N ASP A 82 81.317 48.417 -25.042 1.00 0.00 N ATOM 1273 CA ASP A 82 81.225 49.142 -23.780 1.00 0.00 C ATOM 1274 C ASP A 82 81.688 48.270 -22.618 1.00 0.00 C ATOM 1275 O ASP A 82 82.398 48.733 -21.725 1.00 0.00 O ATOM 1276 CB ASP A 82 79.789 49.612 -23.541 1.00 0.00 C ATOM 1277 CG ASP A 82 79.175 50.245 -24.774 1.00 0.00 C ATOM 1278 OD1 ASP A 82 79.936 50.773 -25.612 1.00 0.00 O ATOM 1279 OD2 ASP A 82 77.933 50.215 -24.900 1.00 0.00 O ATOM 0 H ASP A 82 80.447 48.382 -25.573 1.00 0.00 H new ATOM 0 HA ASP A 82 81.878 50.012 -23.840 1.00 0.00 H new ATOM 0 HB2 ASP A 82 79.179 48.764 -23.229 1.00 0.00 H new ATOM 0 HB3 ASP A 82 79.777 50.331 -22.722 1.00 0.00 H new ATOM 1284 N PHE A 83 81.281 47.005 -22.635 1.00 0.00 N ATOM 1285 CA PHE A 83 81.652 46.068 -21.581 1.00 0.00 C ATOM 1286 C PHE A 83 83.131 45.701 -21.675 1.00 0.00 C ATOM 1287 O PHE A 83 83.784 45.443 -20.663 1.00 0.00 O ATOM 1288 CB PHE A 83 80.795 44.803 -21.668 1.00 0.00 C ATOM 1289 CG PHE A 83 79.573 44.846 -20.796 1.00 0.00 C ATOM 1290 CD1 PHE A 83 79.689 45.013 -19.426 1.00 0.00 C ATOM 1291 CD2 PHE A 83 78.308 44.718 -21.347 1.00 0.00 C ATOM 1292 CE1 PHE A 83 78.567 45.053 -18.620 1.00 0.00 C ATOM 1293 CE2 PHE A 83 77.182 44.758 -20.547 1.00 0.00 C ATOM 1294 CZ PHE A 83 77.312 44.924 -19.182 1.00 0.00 C ATOM 0 H PHE A 83 80.694 46.605 -23.367 1.00 0.00 H new ATOM 0 HA PHE A 83 81.476 46.553 -20.621 1.00 0.00 H new ATOM 0 HB2 PHE A 83 80.488 44.652 -22.703 1.00 0.00 H new ATOM 0 HB3 PHE A 83 81.402 43.942 -21.387 1.00 0.00 H new ATOM 0 HD1 PHE A 83 80.668 45.113 -18.982 1.00 0.00 H new ATOM 0 HD2 PHE A 83 78.201 44.586 -22.413 1.00 0.00 H new ATOM 0 HE1 PHE A 83 78.671 45.185 -17.553 1.00 0.00 H new ATOM 0 HE2 PHE A 83 76.201 44.660 -20.989 1.00 0.00 H new ATOM 0 HZ PHE A 83 76.433 44.953 -18.555 1.00 0.00 H new ATOM 1304 N LEU A 84 83.652 45.680 -22.897 1.00 0.00 N ATOM 1305 CA LEU A 84 85.053 45.345 -23.125 1.00 0.00 C ATOM 1306 C LEU A 84 85.972 46.349 -22.437 1.00 0.00 C ATOM 1307 O LEU A 84 87.068 46.002 -21.995 1.00 0.00 O ATOM 1308 CB LEU A 84 85.352 45.309 -24.625 1.00 0.00 C ATOM 1309 CG LEU A 84 85.344 43.926 -25.277 1.00 0.00 C ATOM 1310 CD1 LEU A 84 85.296 44.050 -26.792 1.00 0.00 C ATOM 1311 CD2 LEU A 84 86.564 43.125 -24.844 1.00 0.00 C ATOM 0 H LEU A 84 83.125 45.891 -23.745 1.00 0.00 H new ATOM 0 HA LEU A 84 85.239 44.359 -22.699 1.00 0.00 H new ATOM 0 HB2 LEU A 84 84.620 45.934 -25.136 1.00 0.00 H new ATOM 0 HB3 LEU A 84 86.329 45.762 -24.791 1.00 0.00 H new ATOM 0 HG LEU A 84 84.450 43.396 -24.948 1.00 0.00 H new ATOM 0 HD11 LEU A 84 85.291 43.056 -27.238 1.00 0.00 H new ATOM 0 HD12 LEU A 84 84.392 44.584 -27.085 1.00 0.00 H new ATOM 0 HD13 LEU A 84 86.171 44.600 -27.140 1.00 0.00 H new ATOM 0 HD21 LEU A 84 86.542 42.144 -25.318 1.00 0.00 H new ATOM 0 HD22 LEU A 84 87.470 43.652 -25.143 1.00 0.00 H new ATOM 0 HD23 LEU A 84 86.555 43.005 -23.761 1.00 0.00 H new ATOM 1323 N ARG A 85 85.518 47.595 -22.347 1.00 0.00 N ATOM 1324 CA ARG A 85 86.299 48.649 -21.711 1.00 0.00 C ATOM 1325 C ARG A 85 86.342 48.457 -20.198 1.00 0.00 C ATOM 1326 O ARG A 85 87.282 48.892 -19.534 1.00 0.00 O ATOM 1327 CB ARG A 85 85.711 50.021 -22.046 1.00 0.00 C ATOM 1328 CG ARG A 85 85.716 50.341 -23.532 1.00 0.00 C ATOM 1329 CD ARG A 85 84.716 51.435 -23.871 1.00 0.00 C ATOM 1330 NE ARG A 85 84.627 51.669 -25.309 1.00 0.00 N ATOM 1331 CZ ARG A 85 85.561 52.301 -26.010 1.00 0.00 C ATOM 1332 NH1 ARG A 85 86.649 52.761 -25.408 1.00 0.00 N ATOM 1333 NH2 ARG A 85 85.407 52.475 -27.317 1.00 0.00 N ATOM 0 H ARG A 85 84.613 47.899 -22.707 1.00 0.00 H new ATOM 0 HA ARG A 85 87.318 48.594 -22.095 1.00 0.00 H new ATOM 0 HB2 ARG A 85 84.687 50.068 -21.677 1.00 0.00 H new ATOM 0 HB3 ARG A 85 86.276 50.788 -21.516 1.00 0.00 H new ATOM 0 HG2 ARG A 85 86.715 50.654 -23.834 1.00 0.00 H new ATOM 0 HG3 ARG A 85 85.479 49.441 -24.100 1.00 0.00 H new ATOM 0 HD2 ARG A 85 83.734 51.160 -23.487 1.00 0.00 H new ATOM 0 HD3 ARG A 85 85.006 52.359 -23.371 1.00 0.00 H new ATOM 0 HE ARG A 85 83.802 51.328 -25.803 1.00 0.00 H new ATOM 0 HH11 ARG A 85 86.770 52.630 -24.404 1.00 0.00 H new ATOM 0 HH12 ARG A 85 87.365 53.246 -25.949 1.00 0.00 H new ATOM 0 HH21 ARG A 85 84.571 52.123 -27.783 1.00 0.00 H new ATOM 0 HH22 ARG A 85 86.125 52.961 -27.855 1.00 0.00 H new ATOM 1347 N ALA A 86 85.316 47.804 -19.661 1.00 0.00 N ATOM 1348 CA ALA A 86 85.237 47.554 -18.227 1.00 0.00 C ATOM 1349 C ALA A 86 85.934 46.248 -17.859 1.00 0.00 C ATOM 1350 O ALA A 86 86.655 46.176 -16.863 1.00 0.00 O ATOM 1351 CB ALA A 86 83.785 47.525 -17.776 1.00 0.00 C ATOM 0 H ALA A 86 84.529 47.439 -20.197 1.00 0.00 H new ATOM 0 HA ALA A 86 85.749 48.367 -17.712 1.00 0.00 H new ATOM 0 HB1 ALA A 86 83.741 47.337 -16.703 1.00 0.00 H new ATOM 0 HB2 ALA A 86 83.316 48.484 -17.996 1.00 0.00 H new ATOM 0 HB3 ALA A 86 83.255 46.733 -18.305 1.00 0.00 H new ATOM 1357 N THR A 87 85.714 45.217 -18.668 1.00 0.00 N ATOM 1358 CA THR A 87 86.319 43.913 -18.427 1.00 0.00 C ATOM 1359 C THR A 87 86.712 43.238 -19.736 1.00 0.00 C ATOM 1360 O THR A 87 86.395 43.729 -20.820 1.00 0.00 O ATOM 1361 CB THR A 87 85.364 42.986 -17.651 1.00 0.00 C ATOM 1362 OG1 THR A 87 86.054 41.796 -17.250 1.00 0.00 O ATOM 1363 CG2 THR A 87 84.158 42.617 -18.502 1.00 0.00 C ATOM 0 H THR A 87 85.121 45.260 -19.497 1.00 0.00 H new ATOM 0 HA THR A 87 87.213 44.085 -17.828 1.00 0.00 H new ATOM 0 HB THR A 87 85.015 43.519 -16.766 1.00 0.00 H new ATOM 0 HG1 THR A 87 86.944 42.031 -16.914 1.00 0.00 H new ATOM 0 HG21 THR A 87 83.498 41.962 -17.933 1.00 0.00 H new ATOM 0 HG22 THR A 87 83.619 43.522 -18.781 1.00 0.00 H new ATOM 0 HG23 THR A 87 84.492 42.102 -19.403 1.00 0.00 H new ATOM 1371 N THR A 88 87.405 42.108 -19.629 1.00 0.00 N ATOM 1372 CA THR A 88 87.842 41.366 -20.805 1.00 0.00 C ATOM 1373 C THR A 88 86.655 40.765 -21.548 1.00 0.00 C ATOM 1374 O THR A 88 85.523 40.799 -21.063 1.00 0.00 O ATOM 1375 CB THR A 88 88.819 40.238 -20.425 1.00 0.00 C ATOM 1376 OG1 THR A 88 88.183 39.319 -19.530 1.00 0.00 O ATOM 1377 CG2 THR A 88 90.072 40.803 -19.773 1.00 0.00 C ATOM 0 H THR A 88 87.675 41.687 -18.740 1.00 0.00 H new ATOM 0 HA THR A 88 88.353 42.076 -21.456 1.00 0.00 H new ATOM 0 HB THR A 88 89.107 39.716 -21.337 1.00 0.00 H new ATOM 0 HG1 THR A 88 88.811 38.604 -19.295 1.00 0.00 H new ATOM 0 HG21 THR A 88 90.747 39.987 -19.514 1.00 0.00 H new ATOM 0 HG22 THR A 88 90.570 41.479 -20.468 1.00 0.00 H new ATOM 0 HG23 THR A 88 89.798 41.348 -18.870 1.00 0.00 H new ATOM 1385 N LEU A 89 86.919 40.216 -22.729 1.00 0.00 N ATOM 1386 CA LEU A 89 85.871 39.607 -23.541 1.00 0.00 C ATOM 1387 C LEU A 89 85.278 38.389 -22.839 1.00 0.00 C ATOM 1388 O LEU A 89 84.060 38.206 -22.815 1.00 0.00 O ATOM 1389 CB LEU A 89 86.428 39.201 -24.907 1.00 0.00 C ATOM 1390 CG LEU A 89 85.433 39.216 -26.068 1.00 0.00 C ATOM 1391 CD1 LEU A 89 84.251 38.307 -25.769 1.00 0.00 C ATOM 1392 CD2 LEU A 89 84.960 40.635 -26.347 1.00 0.00 C ATOM 0 H LEU A 89 87.849 40.180 -23.145 1.00 0.00 H new ATOM 0 HA LEU A 89 85.080 40.344 -23.682 1.00 0.00 H new ATOM 0 HB2 LEU A 89 87.254 39.869 -25.154 1.00 0.00 H new ATOM 0 HB3 LEU A 89 86.844 38.197 -24.824 1.00 0.00 H new ATOM 0 HG LEU A 89 85.937 38.841 -26.959 1.00 0.00 H new ATOM 0 HD11 LEU A 89 83.553 38.330 -26.606 1.00 0.00 H new ATOM 0 HD12 LEU A 89 84.605 37.287 -25.620 1.00 0.00 H new ATOM 0 HD13 LEU A 89 83.746 38.651 -24.866 1.00 0.00 H new ATOM 0 HD21 LEU A 89 84.253 40.626 -27.176 1.00 0.00 H new ATOM 0 HD22 LEU A 89 84.473 41.037 -25.459 1.00 0.00 H new ATOM 0 HD23 LEU A 89 85.815 41.259 -26.606 1.00 0.00 H new ATOM 1404 N TYR A 90 86.145 37.561 -22.268 1.00 0.00 N ATOM 1405 CA TYR A 90 85.707 36.361 -21.565 1.00 0.00 C ATOM 1406 C TYR A 90 84.672 36.701 -20.498 1.00 0.00 C ATOM 1407 O TYR A 90 83.711 35.962 -20.291 1.00 0.00 O ATOM 1408 CB TYR A 90 86.903 35.654 -20.925 1.00 0.00 C ATOM 1409 CG TYR A 90 86.522 34.448 -20.097 1.00 0.00 C ATOM 1410 CD1 TYR A 90 86.385 33.195 -20.680 1.00 0.00 C ATOM 1411 CD2 TYR A 90 86.299 34.562 -18.730 1.00 0.00 C ATOM 1412 CE1 TYR A 90 86.036 32.090 -19.927 1.00 0.00 C ATOM 1413 CE2 TYR A 90 85.950 33.463 -17.969 1.00 0.00 C ATOM 1414 CZ TYR A 90 85.820 32.230 -18.572 1.00 0.00 C ATOM 1415 OH TYR A 90 85.473 31.132 -17.818 1.00 0.00 O ATOM 0 H TYR A 90 87.156 37.699 -22.278 1.00 0.00 H new ATOM 0 HA TYR A 90 85.245 35.693 -22.292 1.00 0.00 H new ATOM 0 HB2 TYR A 90 87.592 35.342 -21.710 1.00 0.00 H new ATOM 0 HB3 TYR A 90 87.438 36.363 -20.294 1.00 0.00 H new ATOM 0 HD1 TYR A 90 86.554 33.082 -21.741 1.00 0.00 H new ATOM 0 HD2 TYR A 90 86.400 35.526 -18.254 1.00 0.00 H new ATOM 0 HE1 TYR A 90 85.933 31.123 -20.397 1.00 0.00 H new ATOM 0 HE2 TYR A 90 85.780 33.569 -16.908 1.00 0.00 H new ATOM 0 HH TYR A 90 85.358 31.401 -16.883 1.00 0.00 H new ATOM 1425 N ASN A 91 84.877 37.827 -19.822 1.00 0.00 N ATOM 1426 CA ASN A 91 83.963 38.268 -18.775 1.00 0.00 C ATOM 1427 C ASN A 91 82.725 38.928 -19.376 1.00 0.00 C ATOM 1428 O ASN A 91 81.609 38.742 -18.888 1.00 0.00 O ATOM 1429 CB ASN A 91 84.667 39.244 -17.831 1.00 0.00 C ATOM 1430 CG ASN A 91 85.527 38.534 -16.803 1.00 0.00 C ATOM 1431 OD1 ASN A 91 85.200 37.435 -16.355 1.00 0.00 O ATOM 1432 ND2 ASN A 91 86.634 39.162 -16.423 1.00 0.00 N ATOM 0 H ASN A 91 85.668 38.451 -19.981 1.00 0.00 H new ATOM 0 HA ASN A 91 83.648 37.391 -18.210 1.00 0.00 H new ATOM 0 HB2 ASN A 91 85.288 39.924 -18.413 1.00 0.00 H new ATOM 0 HB3 ASN A 91 83.921 39.852 -17.319 1.00 0.00 H new ATOM 0 HD21 ASN A 91 87.252 38.734 -15.733 1.00 0.00 H new ATOM 0 HD22 ASN A 91 86.866 40.072 -16.821 1.00 0.00 H new ATOM 1439 N THR A 92 82.930 39.701 -20.438 1.00 0.00 N ATOM 1440 CA THR A 92 81.832 40.389 -21.105 1.00 0.00 C ATOM 1441 C THR A 92 80.773 39.402 -21.582 1.00 0.00 C ATOM 1442 O THR A 92 79.584 39.717 -21.605 1.00 0.00 O ATOM 1443 CB THR A 92 82.333 41.209 -22.310 1.00 0.00 C ATOM 1444 OG1 THR A 92 83.275 42.195 -21.873 1.00 0.00 O ATOM 1445 CG2 THR A 92 81.173 41.888 -23.022 1.00 0.00 C ATOM 0 H THR A 92 83.846 39.866 -20.854 1.00 0.00 H new ATOM 0 HA THR A 92 81.391 41.065 -20.372 1.00 0.00 H new ATOM 0 HB THR A 92 82.819 40.528 -23.009 1.00 0.00 H new ATOM 0 HG1 THR A 92 84.113 41.756 -21.616 1.00 0.00 H new ATOM 0 HG21 THR A 92 81.551 42.461 -23.869 1.00 0.00 H new ATOM 0 HG22 THR A 92 80.473 41.133 -23.378 1.00 0.00 H new ATOM 0 HG23 THR A 92 80.663 42.558 -22.330 1.00 0.00 H new ATOM 1453 N GLU A 93 81.213 38.206 -21.961 1.00 0.00 N ATOM 1454 CA GLU A 93 80.301 37.173 -22.437 1.00 0.00 C ATOM 1455 C GLU A 93 79.514 36.566 -21.279 1.00 0.00 C ATOM 1456 O GLU A 93 78.400 36.074 -21.461 1.00 0.00 O ATOM 1457 CB GLU A 93 81.075 36.077 -23.172 1.00 0.00 C ATOM 1458 CG GLU A 93 81.762 36.561 -24.438 1.00 0.00 C ATOM 1459 CD GLU A 93 81.794 35.505 -25.526 1.00 0.00 C ATOM 1460 OE1 GLU A 93 80.710 35.128 -26.019 1.00 0.00 O ATOM 1461 OE2 GLU A 93 82.903 35.056 -25.884 1.00 0.00 O ATOM 0 H GLU A 93 82.195 37.929 -21.948 1.00 0.00 H new ATOM 0 HA GLU A 93 79.597 37.637 -23.128 1.00 0.00 H new ATOM 0 HB2 GLU A 93 81.824 35.660 -22.499 1.00 0.00 H new ATOM 0 HB3 GLU A 93 80.390 35.269 -23.427 1.00 0.00 H new ATOM 0 HG2 GLU A 93 81.246 37.446 -24.811 1.00 0.00 H new ATOM 0 HG3 GLU A 93 82.782 36.863 -24.200 1.00 0.00 H new ATOM 1468 N VAL A 94 80.102 36.604 -20.088 1.00 0.00 N ATOM 1469 CA VAL A 94 79.457 36.058 -18.899 1.00 0.00 C ATOM 1470 C VAL A 94 78.423 37.030 -18.340 1.00 0.00 C ATOM 1471 O VAL A 94 77.473 36.624 -17.669 1.00 0.00 O ATOM 1472 CB VAL A 94 80.487 35.733 -17.801 1.00 0.00 C ATOM 1473 CG1 VAL A 94 79.793 35.182 -16.565 1.00 0.00 C ATOM 1474 CG2 VAL A 94 81.527 34.752 -18.321 1.00 0.00 C ATOM 0 H VAL A 94 81.024 37.007 -19.920 1.00 0.00 H new ATOM 0 HA VAL A 94 78.959 35.137 -19.203 1.00 0.00 H new ATOM 0 HB VAL A 94 80.998 36.654 -17.521 1.00 0.00 H new ATOM 0 HG11 VAL A 94 80.536 34.958 -15.800 1.00 0.00 H new ATOM 0 HG12 VAL A 94 79.090 35.922 -16.182 1.00 0.00 H new ATOM 0 HG13 VAL A 94 79.255 34.271 -16.826 1.00 0.00 H new ATOM 0 HG21 VAL A 94 82.247 34.533 -17.533 1.00 0.00 H new ATOM 0 HG22 VAL A 94 81.035 33.830 -18.629 1.00 0.00 H new ATOM 0 HG23 VAL A 94 82.045 35.189 -19.174 1.00 0.00 H new ATOM 1484 N LEU A 95 78.614 38.314 -18.621 1.00 0.00 N ATOM 1485 CA LEU A 95 77.698 39.345 -18.146 1.00 0.00 C ATOM 1486 C LEU A 95 76.567 39.570 -19.144 1.00 0.00 C ATOM 1487 O LEU A 95 75.390 39.429 -18.808 1.00 0.00 O ATOM 1488 CB LEU A 95 78.452 40.655 -17.909 1.00 0.00 C ATOM 1489 CG LEU A 95 79.571 40.606 -16.868 1.00 0.00 C ATOM 1490 CD1 LEU A 95 80.511 41.790 -17.040 1.00 0.00 C ATOM 1491 CD2 LEU A 95 78.991 40.583 -15.462 1.00 0.00 C ATOM 0 H LEU A 95 79.395 38.666 -19.175 1.00 0.00 H new ATOM 0 HA LEU A 95 77.265 39.006 -17.205 1.00 0.00 H new ATOM 0 HB2 LEU A 95 78.879 40.982 -18.857 1.00 0.00 H new ATOM 0 HB3 LEU A 95 77.733 41.415 -17.604 1.00 0.00 H new ATOM 0 HG LEU A 95 80.142 39.690 -17.018 1.00 0.00 H new ATOM 0 HD11 LEU A 95 81.301 41.739 -16.291 1.00 0.00 H new ATOM 0 HD12 LEU A 95 80.953 41.762 -18.036 1.00 0.00 H new ATOM 0 HD13 LEU A 95 79.953 42.718 -16.916 1.00 0.00 H new ATOM 0 HD21 LEU A 95 79.802 40.548 -14.734 1.00 0.00 H new ATOM 0 HD22 LEU A 95 78.396 41.482 -15.299 1.00 0.00 H new ATOM 0 HD23 LEU A 95 78.359 39.703 -15.343 1.00 0.00 H new ATOM 1503 N LEU A 96 76.930 39.918 -20.374 1.00 0.00 N ATOM 1504 CA LEU A 96 75.946 40.160 -21.423 1.00 0.00 C ATOM 1505 C LEU A 96 74.978 38.987 -21.543 1.00 0.00 C ATOM 1506 O LEU A 96 73.772 39.178 -21.695 1.00 0.00 O ATOM 1507 CB LEU A 96 76.647 40.397 -22.762 1.00 0.00 C ATOM 1508 CG LEU A 96 75.775 40.961 -23.885 1.00 0.00 C ATOM 1509 CD1 LEU A 96 75.318 42.372 -23.549 1.00 0.00 C ATOM 1510 CD2 LEU A 96 76.530 40.943 -25.206 1.00 0.00 C ATOM 0 H LEU A 96 77.899 40.039 -20.669 1.00 0.00 H new ATOM 0 HA LEU A 96 75.377 41.050 -21.155 1.00 0.00 H new ATOM 0 HB2 LEU A 96 77.480 41.081 -22.597 1.00 0.00 H new ATOM 0 HB3 LEU A 96 77.072 39.452 -23.099 1.00 0.00 H new ATOM 0 HG LEU A 96 74.892 40.330 -23.985 1.00 0.00 H new ATOM 0 HD11 LEU A 96 74.699 42.757 -24.359 1.00 0.00 H new ATOM 0 HD12 LEU A 96 74.739 42.357 -22.626 1.00 0.00 H new ATOM 0 HD13 LEU A 96 76.188 43.015 -23.421 1.00 0.00 H new ATOM 0 HD21 LEU A 96 75.895 41.348 -25.994 1.00 0.00 H new ATOM 0 HD22 LEU A 96 77.431 41.550 -25.119 1.00 0.00 H new ATOM 0 HD23 LEU A 96 76.806 39.918 -25.453 1.00 0.00 H new ATOM 1522 N SER A 97 75.516 37.774 -21.471 1.00 0.00 N ATOM 1523 CA SER A 97 74.700 36.569 -21.573 1.00 0.00 C ATOM 1524 C SER A 97 73.692 36.498 -20.430 1.00 0.00 C ATOM 1525 O SER A 97 72.526 36.158 -20.635 1.00 0.00 O ATOM 1526 CB SER A 97 75.588 35.324 -21.563 1.00 0.00 C ATOM 1527 OG SER A 97 74.829 34.154 -21.816 1.00 0.00 O ATOM 0 H SER A 97 76.513 37.599 -21.343 1.00 0.00 H new ATOM 0 HA SER A 97 74.153 36.609 -22.515 1.00 0.00 H new ATOM 0 HB2 SER A 97 76.369 35.425 -22.317 1.00 0.00 H new ATOM 0 HB3 SER A 97 76.086 35.236 -20.597 1.00 0.00 H new ATOM 0 HG SER A 97 75.420 33.372 -21.806 1.00 0.00 H new ATOM 1533 N HIS A 98 74.149 36.821 -19.225 1.00 0.00 N ATOM 1534 CA HIS A 98 73.289 36.794 -18.047 1.00 0.00 C ATOM 1535 C HIS A 98 72.186 37.843 -18.157 1.00 0.00 C ATOM 1536 O HIS A 98 71.016 37.559 -17.898 1.00 0.00 O ATOM 1537 CB HIS A 98 74.112 37.033 -16.782 1.00 0.00 C ATOM 1538 CG HIS A 98 73.434 36.570 -15.529 1.00 0.00 C ATOM 1539 ND1 HIS A 98 72.063 36.528 -15.388 1.00 0.00 N ATOM 1540 CD2 HIS A 98 73.946 36.126 -14.358 1.00 0.00 C ATOM 1541 CE1 HIS A 98 71.761 36.079 -14.182 1.00 0.00 C ATOM 1542 NE2 HIS A 98 72.886 35.827 -13.537 1.00 0.00 N ATOM 0 H HIS A 98 75.111 37.105 -19.038 1.00 0.00 H new ATOM 0 HA HIS A 98 72.826 35.809 -17.988 1.00 0.00 H new ATOM 0 HB2 HIS A 98 75.069 36.519 -16.879 1.00 0.00 H new ATOM 0 HB3 HIS A 98 74.329 38.098 -16.696 1.00 0.00 H new ATOM 0 HD1 HIS A 98 71.388 36.801 -16.102 1.00 0.00 H new ATOM 0 HD2 HIS A 98 74.993 36.025 -14.114 1.00 0.00 H new ATOM 0 HE1 HIS A 98 70.764 35.942 -13.790 1.00 0.00 H new ATOM 1550 N LEU A 99 72.567 39.057 -18.541 1.00 0.00 N ATOM 1551 CA LEU A 99 71.610 40.149 -18.684 1.00 0.00 C ATOM 1552 C LEU A 99 70.630 39.870 -19.818 1.00 0.00 C ATOM 1553 O LEU A 99 69.507 40.372 -19.819 1.00 0.00 O ATOM 1554 CB LEU A 99 72.345 41.466 -18.942 1.00 0.00 C ATOM 1555 CG LEU A 99 72.342 42.473 -17.791 1.00 0.00 C ATOM 1556 CD1 LEU A 99 72.932 41.850 -16.535 1.00 0.00 C ATOM 1557 CD2 LEU A 99 73.111 43.728 -18.178 1.00 0.00 C ATOM 0 H LEU A 99 73.531 39.310 -18.759 1.00 0.00 H new ATOM 0 HA LEU A 99 71.047 40.230 -17.754 1.00 0.00 H new ATOM 0 HB2 LEU A 99 73.380 41.238 -19.196 1.00 0.00 H new ATOM 0 HB3 LEU A 99 71.900 41.942 -19.816 1.00 0.00 H new ATOM 0 HG LEU A 99 71.310 42.754 -17.582 1.00 0.00 H new ATOM 0 HD11 LEU A 99 72.922 42.581 -15.727 1.00 0.00 H new ATOM 0 HD12 LEU A 99 72.339 40.982 -16.247 1.00 0.00 H new ATOM 0 HD13 LEU A 99 73.958 41.540 -16.730 1.00 0.00 H new ATOM 0 HD21 LEU A 99 73.098 44.433 -17.347 1.00 0.00 H new ATOM 0 HD22 LEU A 99 74.142 43.465 -18.415 1.00 0.00 H new ATOM 0 HD23 LEU A 99 72.644 44.186 -19.050 1.00 0.00 H new ATOM 1569 N SER A 100 71.063 39.063 -20.782 1.00 0.00 N ATOM 1570 CA SER A 100 70.224 38.717 -21.924 1.00 0.00 C ATOM 1571 C SER A 100 69.352 37.505 -21.610 1.00 0.00 C ATOM 1572 O SER A 100 68.277 37.335 -22.185 1.00 0.00 O ATOM 1573 CB SER A 100 71.090 38.433 -23.152 1.00 0.00 C ATOM 1574 OG SER A 100 71.576 37.102 -23.137 1.00 0.00 O ATOM 0 H SER A 100 71.990 38.637 -20.795 1.00 0.00 H new ATOM 0 HA SER A 100 69.573 39.565 -22.136 1.00 0.00 H new ATOM 0 HB2 SER A 100 70.508 38.601 -24.058 1.00 0.00 H new ATOM 0 HB3 SER A 100 71.928 39.129 -23.179 1.00 0.00 H new ATOM 0 HG SER A 100 71.879 36.875 -22.233 1.00 0.00 H new ATOM 1580 N TYR A 101 69.824 36.666 -20.695 1.00 0.00 N ATOM 1581 CA TYR A 101 69.091 35.468 -20.306 1.00 0.00 C ATOM 1582 C TYR A 101 67.798 35.832 -19.582 1.00 0.00 C ATOM 1583 O TYR A 101 66.747 35.239 -19.827 1.00 0.00 O ATOM 1584 CB TYR A 101 69.958 34.581 -19.411 1.00 0.00 C ATOM 1585 CG TYR A 101 69.250 33.338 -18.922 1.00 0.00 C ATOM 1586 CD1 TYR A 101 69.227 32.180 -19.690 1.00 0.00 C ATOM 1587 CD2 TYR A 101 68.605 33.321 -17.691 1.00 0.00 C ATOM 1588 CE1 TYR A 101 68.581 31.042 -19.247 1.00 0.00 C ATOM 1589 CE2 TYR A 101 67.958 32.187 -17.240 1.00 0.00 C ATOM 1590 CZ TYR A 101 67.948 31.050 -18.021 1.00 0.00 C ATOM 1591 OH TYR A 101 67.304 29.918 -17.576 1.00 0.00 O ATOM 0 H TYR A 101 70.711 36.794 -20.209 1.00 0.00 H new ATOM 0 HA TYR A 101 68.837 34.918 -21.212 1.00 0.00 H new ATOM 0 HB2 TYR A 101 70.852 34.287 -19.962 1.00 0.00 H new ATOM 0 HB3 TYR A 101 70.290 35.162 -18.551 1.00 0.00 H new ATOM 0 HD1 TYR A 101 69.723 32.170 -20.650 1.00 0.00 H new ATOM 0 HD2 TYR A 101 68.610 34.209 -17.077 1.00 0.00 H new ATOM 0 HE1 TYR A 101 68.572 30.151 -19.857 1.00 0.00 H new ATOM 0 HE2 TYR A 101 67.462 32.191 -16.280 1.00 0.00 H new ATOM 0 HH TYR A 101 66.911 30.090 -16.695 1.00 0.00 H new ATOM 1601 N LEU A 102 67.884 36.811 -18.688 1.00 0.00 N ATOM 1602 CA LEU A 102 66.722 37.256 -17.927 1.00 0.00 C ATOM 1603 C LEU A 102 65.612 37.734 -18.857 1.00 0.00 C ATOM 1604 O LEU A 102 64.435 37.451 -18.632 1.00 0.00 O ATOM 1605 CB LEU A 102 67.117 38.380 -16.967 1.00 0.00 C ATOM 1606 CG LEU A 102 68.243 38.057 -15.983 1.00 0.00 C ATOM 1607 CD1 LEU A 102 68.792 39.333 -15.363 1.00 0.00 C ATOM 1608 CD2 LEU A 102 67.750 37.107 -14.902 1.00 0.00 C ATOM 0 H LEU A 102 68.746 37.312 -18.472 1.00 0.00 H new ATOM 0 HA LEU A 102 66.349 36.408 -17.352 1.00 0.00 H new ATOM 0 HB2 LEU A 102 67.415 39.247 -17.557 1.00 0.00 H new ATOM 0 HB3 LEU A 102 66.235 38.670 -16.396 1.00 0.00 H new ATOM 0 HG LEU A 102 69.048 37.567 -16.530 1.00 0.00 H new ATOM 0 HD11 LEU A 102 69.592 39.084 -14.666 1.00 0.00 H new ATOM 0 HD12 LEU A 102 69.183 39.980 -16.148 1.00 0.00 H new ATOM 0 HD13 LEU A 102 67.995 39.851 -14.830 1.00 0.00 H new ATOM 0 HD21 LEU A 102 68.564 36.888 -14.211 1.00 0.00 H new ATOM 0 HD22 LEU A 102 66.927 37.570 -14.358 1.00 0.00 H new ATOM 0 HD23 LEU A 102 67.405 36.181 -15.361 1.00 0.00 H new