USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 572 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 87 THR OG1 : rot 60:sc= 0.109 USER MOD Set 1.2: A 91 ASN : amide:sc= -1.57! C(o=-1.5!,f=-6.9!) USER MOD Set 2.1: A 70 MET CE :methyl 162:sc= -0.276 (180deg=-0.439) USER MOD Set 2.2: A 78 MET CE :methyl -159:sc= -0.354 (180deg=-0.98) USER MOD Set 3.1: A 57 TYR OH : rot 130:sc= -0.0334 USER MOD Set 3.2: A 98 HIS : no HD1:sc= -0.424 K(o=-0.46,f=-1.4) USER MOD Set 4.1: A 42 THR OG1 : rot -67:sc= 1.36 USER MOD Set 4.2: A 45 HIS : no HD1:sc= 0.21 K(o=1.6,f=-3.5) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.39) 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= 0.0153 USER MOD Single : A 65 SER OG : rot 180:sc= 0.115 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 ASN : amide:sc= -0.249 X(o=-0.25,f=-0.58) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 CYS SG : rot -31:sc= 0.965 USER MOD Single : A 77 LYS NZ :NH3+ -152:sc= -0.0267 (180deg=-0.96) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 80 LYS NZ :NH3+ 170:sc= -0.061 (180deg=-0.276) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 64:sc= 0.136 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 459 N ILE A 33 66.494 37.874 -6.432 1.00 0.00 N ATOM 460 CA ILE A 33 67.659 37.933 -7.307 1.00 0.00 C ATOM 461 C ILE A 33 67.454 38.945 -8.428 1.00 0.00 C ATOM 462 O ILE A 33 68.406 39.571 -8.896 1.00 0.00 O ATOM 463 CB ILE A 33 67.970 36.556 -7.923 1.00 0.00 C ATOM 464 CG1 ILE A 33 69.280 36.611 -8.713 1.00 0.00 C ATOM 465 CG2 ILE A 33 66.825 36.106 -8.818 1.00 0.00 C ATOM 466 CD1 ILE A 33 69.820 35.247 -9.081 1.00 0.00 C ATOM 0 HA ILE A 33 68.502 38.245 -6.690 1.00 0.00 H new ATOM 0 HB ILE A 33 68.083 35.831 -7.117 1.00 0.00 H new ATOM 0 HG12 ILE A 33 69.122 37.188 -9.624 1.00 0.00 H new ATOM 0 HG13 ILE A 33 70.028 37.143 -8.125 1.00 0.00 H new ATOM 0 HG21 ILE A 33 67.059 35.131 -9.246 1.00 0.00 H new ATOM 0 HG22 ILE A 33 65.910 36.034 -8.230 1.00 0.00 H new ATOM 0 HG23 ILE A 33 66.684 36.830 -9.620 1.00 0.00 H new ATOM 0 HD11 ILE A 33 70.749 35.362 -9.639 1.00 0.00 H new ATOM 0 HD12 ILE A 33 70.010 34.674 -8.173 1.00 0.00 H new ATOM 0 HD13 ILE A 33 69.090 34.721 -9.696 1.00 0.00 H new ATOM 478 N VAL A 34 66.206 39.103 -8.855 1.00 0.00 N ATOM 479 CA VAL A 34 65.874 40.042 -9.920 1.00 0.00 C ATOM 480 C VAL A 34 64.424 40.501 -9.817 1.00 0.00 C ATOM 481 O VAL A 34 63.515 39.713 -9.557 1.00 0.00 O ATOM 482 CB VAL A 34 66.106 39.419 -11.310 1.00 0.00 C ATOM 483 CG1 VAL A 34 65.105 39.967 -12.315 1.00 0.00 C ATOM 484 CG2 VAL A 34 67.533 39.671 -11.775 1.00 0.00 C ATOM 0 H VAL A 34 65.407 38.592 -8.479 1.00 0.00 H new ATOM 0 HA VAL A 34 66.533 40.902 -9.800 1.00 0.00 H new ATOM 0 HB VAL A 34 65.957 38.342 -11.236 1.00 0.00 H new ATOM 0 HG11 VAL A 34 65.285 39.515 -13.291 1.00 0.00 H new ATOM 0 HG12 VAL A 34 64.093 39.731 -11.986 1.00 0.00 H new ATOM 0 HG13 VAL A 34 65.219 41.048 -12.389 1.00 0.00 H new ATOM 0 HG21 VAL A 34 67.679 39.224 -12.758 1.00 0.00 H new ATOM 0 HG22 VAL A 34 67.712 40.745 -11.834 1.00 0.00 H new ATOM 0 HG23 VAL A 34 68.231 39.225 -11.066 1.00 0.00 H new ATOM 494 N PRO A 35 64.201 41.807 -10.026 1.00 0.00 N ATOM 495 CA PRO A 35 62.862 42.401 -9.962 1.00 0.00 C ATOM 496 C PRO A 35 61.978 41.964 -11.125 1.00 0.00 C ATOM 497 O PRO A 35 60.834 41.558 -10.929 1.00 0.00 O ATOM 498 CB PRO A 35 63.138 43.905 -10.036 1.00 0.00 C ATOM 499 CG PRO A 35 64.445 44.017 -10.742 1.00 0.00 C ATOM 500 CD PRO A 35 65.238 42.804 -10.340 1.00 0.00 C ATOM 0 HA PRO A 35 62.323 42.096 -9.065 1.00 0.00 H new ATOM 0 HB2 PRO A 35 62.349 44.426 -10.579 1.00 0.00 H new ATOM 0 HB3 PRO A 35 63.186 44.348 -9.041 1.00 0.00 H new ATOM 0 HG2 PRO A 35 64.303 44.050 -11.822 1.00 0.00 H new ATOM 0 HG3 PRO A 35 64.964 44.933 -10.460 1.00 0.00 H new ATOM 0 HD2 PRO A 35 65.890 42.465 -11.145 1.00 0.00 H new ATOM 0 HD3 PRO A 35 65.874 43.007 -9.478 1.00 0.00 H new ATOM 508 N ALA A 36 62.518 42.050 -12.337 1.00 0.00 N ATOM 509 CA ALA A 36 61.778 41.661 -13.531 1.00 0.00 C ATOM 510 C ALA A 36 62.636 41.815 -14.783 1.00 0.00 C ATOM 511 O ALA A 36 63.076 40.827 -15.371 1.00 0.00 O ATOM 512 CB ALA A 36 60.506 42.486 -13.657 1.00 0.00 C ATOM 0 H ALA A 36 63.464 42.385 -12.517 1.00 0.00 H new ATOM 0 HA ALA A 36 61.508 40.610 -13.434 1.00 0.00 H new ATOM 0 HB1 ALA A 36 59.964 42.184 -14.553 1.00 0.00 H new ATOM 0 HB2 ALA A 36 59.878 42.323 -12.781 1.00 0.00 H new ATOM 0 HB3 ALA A 36 60.763 43.543 -13.727 1.00 0.00 H new ATOM 518 N ASP A 37 62.870 43.060 -15.184 1.00 0.00 N ATOM 519 CA ASP A 37 63.676 43.343 -16.366 1.00 0.00 C ATOM 520 C ASP A 37 64.921 44.143 -15.995 1.00 0.00 C ATOM 521 O ASP A 37 64.995 44.769 -14.938 1.00 0.00 O ATOM 522 CB ASP A 37 62.851 44.111 -17.400 1.00 0.00 C ATOM 523 CG ASP A 37 62.372 43.224 -18.532 1.00 0.00 C ATOM 524 OD1 ASP A 37 61.846 42.127 -18.246 1.00 0.00 O ATOM 525 OD2 ASP A 37 62.523 43.626 -19.705 1.00 0.00 O ATOM 0 H ASP A 37 62.513 43.889 -14.708 1.00 0.00 H new ATOM 0 HA ASP A 37 63.991 42.393 -16.797 1.00 0.00 H new ATOM 0 HB2 ASP A 37 61.990 44.565 -16.909 1.00 0.00 H new ATOM 0 HB3 ASP A 37 63.451 44.924 -17.808 1.00 0.00 H new ATOM 530 N PRO A 38 65.925 44.122 -16.885 1.00 0.00 N ATOM 531 CA PRO A 38 67.186 44.839 -16.673 1.00 0.00 C ATOM 532 C PRO A 38 67.013 46.352 -16.757 1.00 0.00 C ATOM 533 O PRO A 38 67.885 47.112 -16.332 1.00 0.00 O ATOM 534 CB PRO A 38 68.075 44.338 -17.814 1.00 0.00 C ATOM 535 CG PRO A 38 67.123 43.918 -18.880 1.00 0.00 C ATOM 536 CD PRO A 38 65.906 43.396 -18.166 1.00 0.00 C ATOM 0 HA PRO A 38 67.598 44.655 -15.681 1.00 0.00 H new ATOM 0 HB2 PRO A 38 68.744 45.122 -18.168 1.00 0.00 H new ATOM 0 HB3 PRO A 38 68.701 43.506 -17.492 1.00 0.00 H new ATOM 0 HG2 PRO A 38 66.866 44.757 -19.527 1.00 0.00 H new ATOM 0 HG3 PRO A 38 67.563 43.149 -19.515 1.00 0.00 H new ATOM 0 HD2 PRO A 38 64.994 43.596 -18.728 1.00 0.00 H new ATOM 0 HD3 PRO A 38 65.959 42.317 -18.018 1.00 0.00 H new ATOM 544 N THR A 39 65.883 46.784 -17.307 1.00 0.00 N ATOM 545 CA THR A 39 65.596 48.206 -17.447 1.00 0.00 C ATOM 546 C THR A 39 65.025 48.782 -16.156 1.00 0.00 C ATOM 547 O THR A 39 65.165 49.975 -15.881 1.00 0.00 O ATOM 548 CB THR A 39 64.604 48.469 -18.595 1.00 0.00 C ATOM 549 OG1 THR A 39 63.403 47.717 -18.387 1.00 0.00 O ATOM 550 CG2 THR A 39 65.217 48.094 -19.936 1.00 0.00 C ATOM 0 H THR A 39 65.151 46.169 -17.663 1.00 0.00 H new ATOM 0 HA THR A 39 66.542 48.698 -17.674 1.00 0.00 H new ATOM 0 HB THR A 39 64.368 49.533 -18.606 1.00 0.00 H new ATOM 0 HG1 THR A 39 62.777 47.891 -19.120 1.00 0.00 H new ATOM 0 HG21 THR A 39 64.498 48.288 -20.732 1.00 0.00 H new ATOM 0 HG22 THR A 39 66.115 48.689 -20.105 1.00 0.00 H new ATOM 0 HG23 THR A 39 65.478 47.036 -19.933 1.00 0.00 H new ATOM 558 N LEU A 40 64.383 47.929 -15.366 1.00 0.00 N ATOM 559 CA LEU A 40 63.791 48.353 -14.102 1.00 0.00 C ATOM 560 C LEU A 40 64.611 47.845 -12.920 1.00 0.00 C ATOM 561 O LEU A 40 64.065 47.288 -11.968 1.00 0.00 O ATOM 562 CB LEU A 40 62.352 47.846 -13.995 1.00 0.00 C ATOM 563 CG LEU A 40 61.419 48.226 -15.145 1.00 0.00 C ATOM 564 CD1 LEU A 40 60.222 47.289 -15.194 1.00 0.00 C ATOM 565 CD2 LEU A 40 60.961 49.671 -15.005 1.00 0.00 C ATOM 0 H LEU A 40 64.259 46.939 -15.578 1.00 0.00 H new ATOM 0 HA LEU A 40 63.788 49.443 -14.077 1.00 0.00 H new ATOM 0 HB2 LEU A 40 62.376 46.759 -13.917 1.00 0.00 H new ATOM 0 HB3 LEU A 40 61.923 48.223 -13.066 1.00 0.00 H new ATOM 0 HG LEU A 40 61.969 48.129 -16.081 1.00 0.00 H new ATOM 0 HD11 LEU A 40 59.569 47.575 -16.019 1.00 0.00 H new ATOM 0 HD12 LEU A 40 60.567 46.266 -15.342 1.00 0.00 H new ATOM 0 HD13 LEU A 40 59.671 47.354 -14.256 1.00 0.00 H new ATOM 0 HD21 LEU A 40 60.298 49.924 -15.832 1.00 0.00 H new ATOM 0 HD22 LEU A 40 60.428 49.794 -14.062 1.00 0.00 H new ATOM 0 HD23 LEU A 40 61.828 50.331 -15.021 1.00 0.00 H new ATOM 577 N TRP A 41 65.922 48.043 -12.987 1.00 0.00 N ATOM 578 CA TRP A 41 66.816 47.608 -11.921 1.00 0.00 C ATOM 579 C TRP A 41 67.130 48.757 -10.970 1.00 0.00 C ATOM 580 O TRP A 41 66.976 49.927 -11.321 1.00 0.00 O ATOM 581 CB TRP A 41 68.113 47.050 -12.511 1.00 0.00 C ATOM 582 CG TRP A 41 68.117 45.555 -12.628 1.00 0.00 C ATOM 583 CD1 TRP A 41 67.031 44.742 -12.783 1.00 0.00 C ATOM 584 CD2 TRP A 41 69.262 44.697 -12.598 1.00 0.00 C ATOM 585 NE1 TRP A 41 67.432 43.430 -12.851 1.00 0.00 N ATOM 586 CE2 TRP A 41 68.796 43.375 -12.741 1.00 0.00 C ATOM 587 CE3 TRP A 41 70.636 44.915 -12.466 1.00 0.00 C ATOM 588 CZ2 TRP A 41 69.655 42.280 -12.754 1.00 0.00 C ATOM 589 CZ3 TRP A 41 71.488 43.827 -12.479 1.00 0.00 C ATOM 590 CH2 TRP A 41 70.996 42.523 -12.623 1.00 0.00 C ATOM 0 H TRP A 41 66.390 48.502 -13.769 1.00 0.00 H new ATOM 0 HA TRP A 41 66.313 46.822 -11.358 1.00 0.00 H new ATOM 0 HB2 TRP A 41 68.272 47.485 -13.498 1.00 0.00 H new ATOM 0 HB3 TRP A 41 68.951 47.361 -11.887 1.00 0.00 H new ATOM 0 HD1 TRP A 41 66.007 45.081 -12.843 1.00 0.00 H new ATOM 0 HE1 TRP A 41 66.814 42.627 -12.965 1.00 0.00 H new ATOM 0 HE3 TRP A 41 71.025 45.916 -12.356 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 69.277 41.274 -12.864 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 72.552 43.985 -12.376 1.00 0.00 H new ATOM 0 HH2 TRP A 41 71.688 41.694 -12.631 1.00 0.00 H new ATOM 601 N THR A 42 67.571 48.417 -9.762 1.00 0.00 N ATOM 602 CA THR A 42 67.905 49.421 -8.760 1.00 0.00 C ATOM 603 C THR A 42 69.403 49.444 -8.483 1.00 0.00 C ATOM 604 O THR A 42 70.146 48.590 -8.966 1.00 0.00 O ATOM 605 CB THR A 42 67.154 49.167 -7.439 1.00 0.00 C ATOM 606 OG1 THR A 42 67.713 48.031 -6.769 1.00 0.00 O ATOM 607 CG2 THR A 42 65.673 48.934 -7.694 1.00 0.00 C ATOM 0 H THR A 42 67.705 47.454 -9.455 1.00 0.00 H new ATOM 0 HA THR A 42 67.598 50.386 -9.164 1.00 0.00 H new ATOM 0 HB THR A 42 67.263 50.050 -6.809 1.00 0.00 H new ATOM 0 HG1 THR A 42 67.530 47.221 -7.290 1.00 0.00 H new ATOM 0 HG21 THR A 42 65.164 48.757 -6.746 1.00 0.00 H new ATOM 0 HG22 THR A 42 65.245 49.812 -8.178 1.00 0.00 H new ATOM 0 HG23 THR A 42 65.547 48.066 -8.341 1.00 0.00 H new ATOM 615 N GLN A 43 69.841 50.427 -7.703 1.00 0.00 N ATOM 616 CA GLN A 43 71.253 50.561 -7.363 1.00 0.00 C ATOM 617 C GLN A 43 71.744 49.340 -6.591 1.00 0.00 C ATOM 618 O GLN A 43 72.927 49.002 -6.635 1.00 0.00 O ATOM 619 CB GLN A 43 71.483 51.828 -6.537 1.00 0.00 C ATOM 620 CG GLN A 43 71.736 53.066 -7.381 1.00 0.00 C ATOM 621 CD GLN A 43 71.335 54.346 -6.674 1.00 0.00 C ATOM 622 OE1 GLN A 43 71.319 54.411 -5.444 1.00 0.00 O ATOM 623 NE2 GLN A 43 71.009 55.374 -7.449 1.00 0.00 N ATOM 0 H GLN A 43 69.239 51.142 -7.295 1.00 0.00 H new ATOM 0 HA GLN A 43 71.819 50.634 -8.291 1.00 0.00 H new ATOM 0 HB2 GLN A 43 70.613 52.002 -5.904 1.00 0.00 H new ATOM 0 HB3 GLN A 43 72.334 51.670 -5.874 1.00 0.00 H new ATOM 0 HG2 GLN A 43 72.794 53.115 -7.640 1.00 0.00 H new ATOM 0 HG3 GLN A 43 71.182 52.983 -8.316 1.00 0.00 H new ATOM 0 HE21 GLN A 43 71.036 55.276 -8.464 1.00 0.00 H new ATOM 0 HE22 GLN A 43 70.732 56.261 -7.029 1.00 0.00 H new ATOM 632 N GLU A 44 70.829 48.684 -5.886 1.00 0.00 N ATOM 633 CA GLU A 44 71.171 47.502 -5.104 1.00 0.00 C ATOM 634 C GLU A 44 71.299 46.274 -6.001 1.00 0.00 C ATOM 635 O GLU A 44 72.061 45.353 -5.706 1.00 0.00 O ATOM 636 CB GLU A 44 70.112 47.252 -4.027 1.00 0.00 C ATOM 637 CG GLU A 44 69.991 48.382 -3.019 1.00 0.00 C ATOM 638 CD GLU A 44 69.399 47.926 -1.700 1.00 0.00 C ATOM 639 OE1 GLU A 44 70.099 47.215 -0.949 1.00 0.00 O ATOM 640 OE2 GLU A 44 68.235 48.281 -1.418 1.00 0.00 O ATOM 0 H GLU A 44 69.846 48.951 -5.840 1.00 0.00 H new ATOM 0 HA GLU A 44 72.133 47.682 -4.624 1.00 0.00 H new ATOM 0 HB2 GLU A 44 69.146 47.100 -4.508 1.00 0.00 H new ATOM 0 HB3 GLU A 44 70.354 46.330 -3.499 1.00 0.00 H new ATOM 0 HG2 GLU A 44 70.977 48.812 -2.841 1.00 0.00 H new ATOM 0 HG3 GLU A 44 69.369 49.173 -3.438 1.00 0.00 H new ATOM 647 N HIS A 45 70.548 46.269 -7.098 1.00 0.00 N ATOM 648 CA HIS A 45 70.577 45.155 -8.039 1.00 0.00 C ATOM 649 C HIS A 45 71.816 45.225 -8.926 1.00 0.00 C ATOM 650 O HIS A 45 72.291 44.207 -9.429 1.00 0.00 O ATOM 651 CB HIS A 45 69.316 45.158 -8.904 1.00 0.00 C ATOM 652 CG HIS A 45 68.095 44.675 -8.184 1.00 0.00 C ATOM 653 ND1 HIS A 45 67.023 45.490 -7.890 1.00 0.00 N ATOM 654 CD2 HIS A 45 67.778 43.451 -7.700 1.00 0.00 C ATOM 655 CE1 HIS A 45 66.100 44.789 -7.255 1.00 0.00 C ATOM 656 NE2 HIS A 45 66.534 43.548 -7.127 1.00 0.00 N ATOM 0 H HIS A 45 69.912 47.023 -7.357 1.00 0.00 H new ATOM 0 HA HIS A 45 70.614 44.229 -7.466 1.00 0.00 H new ATOM 0 HB2 HIS A 45 69.137 46.170 -9.267 1.00 0.00 H new ATOM 0 HB3 HIS A 45 69.484 44.530 -9.779 1.00 0.00 H new ATOM 0 HD2 HIS A 45 68.390 42.563 -7.755 1.00 0.00 H new ATOM 0 HE1 HIS A 45 65.152 45.167 -6.901 1.00 0.00 H new ATOM 0 HE2 HIS A 45 66.028 42.786 -6.676 1.00 0.00 H new ATOM 664 N VAL A 46 72.336 46.434 -9.113 1.00 0.00 N ATOM 665 CA VAL A 46 73.521 46.637 -9.939 1.00 0.00 C ATOM 666 C VAL A 46 74.796 46.388 -9.141 1.00 0.00 C ATOM 667 O VAL A 46 75.834 46.040 -9.704 1.00 0.00 O ATOM 668 CB VAL A 46 73.562 48.063 -10.520 1.00 0.00 C ATOM 669 CG1 VAL A 46 74.819 48.265 -11.352 1.00 0.00 C ATOM 670 CG2 VAL A 46 72.315 48.337 -11.348 1.00 0.00 C ATOM 0 H VAL A 46 71.956 47.287 -8.704 1.00 0.00 H new ATOM 0 HA VAL A 46 73.463 45.920 -10.758 1.00 0.00 H new ATOM 0 HB VAL A 46 73.585 48.773 -9.693 1.00 0.00 H new ATOM 0 HG11 VAL A 46 74.830 49.278 -11.754 1.00 0.00 H new ATOM 0 HG12 VAL A 46 75.698 48.113 -10.726 1.00 0.00 H new ATOM 0 HG13 VAL A 46 74.831 47.549 -12.173 1.00 0.00 H new ATOM 0 HG21 VAL A 46 72.361 49.349 -11.751 1.00 0.00 H new ATOM 0 HG22 VAL A 46 72.259 47.622 -12.169 1.00 0.00 H new ATOM 0 HG23 VAL A 46 71.431 48.237 -10.718 1.00 0.00 H new ATOM 680 N ARG A 47 74.710 46.568 -7.827 1.00 0.00 N ATOM 681 CA ARG A 47 75.857 46.363 -6.952 1.00 0.00 C ATOM 682 C ARG A 47 75.912 44.921 -6.456 1.00 0.00 C ATOM 683 O ARG A 47 76.991 44.377 -6.222 1.00 0.00 O ATOM 684 CB ARG A 47 75.794 47.321 -5.761 1.00 0.00 C ATOM 685 CG ARG A 47 74.751 46.936 -4.724 1.00 0.00 C ATOM 686 CD ARG A 47 74.584 48.022 -3.673 1.00 0.00 C ATOM 687 NE ARG A 47 73.739 47.586 -2.565 1.00 0.00 N ATOM 688 CZ ARG A 47 74.123 46.702 -1.651 1.00 0.00 C ATOM 689 NH1 ARG A 47 75.334 46.164 -1.712 1.00 0.00 N ATOM 690 NH2 ARG A 47 73.297 46.355 -0.672 1.00 0.00 N ATOM 0 H ARG A 47 73.858 46.855 -7.346 1.00 0.00 H new ATOM 0 HA ARG A 47 76.761 46.566 -7.526 1.00 0.00 H new ATOM 0 HB2 ARG A 47 76.773 47.358 -5.283 1.00 0.00 H new ATOM 0 HB3 ARG A 47 75.579 48.326 -6.125 1.00 0.00 H new ATOM 0 HG2 ARG A 47 73.796 46.755 -5.217 1.00 0.00 H new ATOM 0 HG3 ARG A 47 75.043 46.003 -4.242 1.00 0.00 H new ATOM 0 HD2 ARG A 47 75.563 48.310 -3.291 1.00 0.00 H new ATOM 0 HD3 ARG A 47 74.149 48.909 -4.134 1.00 0.00 H new ATOM 0 HE ARG A 47 72.802 47.982 -2.489 1.00 0.00 H new ATOM 0 HH11 ARG A 47 75.973 46.429 -2.462 1.00 0.00 H new ATOM 0 HH12 ARG A 47 75.627 45.485 -1.009 1.00 0.00 H new ATOM 0 HH21 ARG A 47 72.365 46.767 -0.621 1.00 0.00 H new ATOM 0 HH22 ARG A 47 73.594 45.676 0.029 1.00 0.00 H new ATOM 704 N GLN A 48 74.743 44.310 -6.298 1.00 0.00 N ATOM 705 CA GLN A 48 74.659 42.932 -5.828 1.00 0.00 C ATOM 706 C GLN A 48 74.999 41.954 -6.948 1.00 0.00 C ATOM 707 O GLN A 48 75.833 41.065 -6.777 1.00 0.00 O ATOM 708 CB GLN A 48 73.258 42.640 -5.288 1.00 0.00 C ATOM 709 CG GLN A 48 73.015 43.197 -3.895 1.00 0.00 C ATOM 710 CD GLN A 48 73.151 42.144 -2.813 1.00 0.00 C ATOM 711 OE1 GLN A 48 74.252 41.859 -2.342 1.00 0.00 O ATOM 712 NE2 GLN A 48 72.028 41.560 -2.411 1.00 0.00 N ATOM 0 H GLN A 48 73.841 44.747 -6.488 1.00 0.00 H new ATOM 0 HA GLN A 48 75.384 42.803 -5.025 1.00 0.00 H new ATOM 0 HB2 GLN A 48 72.520 43.059 -5.972 1.00 0.00 H new ATOM 0 HB3 GLN A 48 73.101 41.561 -5.271 1.00 0.00 H new ATOM 0 HG2 GLN A 48 73.722 44.004 -3.702 1.00 0.00 H new ATOM 0 HG3 GLN A 48 72.016 43.631 -3.851 1.00 0.00 H new ATOM 0 HE21 GLN A 48 71.137 41.827 -2.829 1.00 0.00 H new ATOM 0 HE22 GLN A 48 72.057 40.845 -1.684 1.00 0.00 H new ATOM 721 N TRP A 49 74.348 42.124 -8.093 1.00 0.00 N ATOM 722 CA TRP A 49 74.581 41.255 -9.241 1.00 0.00 C ATOM 723 C TRP A 49 76.068 41.177 -9.571 1.00 0.00 C ATOM 724 O TRP A 49 76.584 40.112 -9.912 1.00 0.00 O ATOM 725 CB TRP A 49 73.802 41.760 -10.456 1.00 0.00 C ATOM 726 CG TRP A 49 74.123 41.018 -11.718 1.00 0.00 C ATOM 727 CD1 TRP A 49 73.823 39.717 -12.002 1.00 0.00 C ATOM 728 CD2 TRP A 49 74.807 41.534 -12.865 1.00 0.00 C ATOM 729 NE1 TRP A 49 74.279 39.392 -13.257 1.00 0.00 N ATOM 730 CE2 TRP A 49 74.886 40.490 -13.808 1.00 0.00 C ATOM 731 CE3 TRP A 49 75.358 42.777 -13.189 1.00 0.00 C ATOM 732 CZ2 TRP A 49 75.495 40.653 -15.049 1.00 0.00 C ATOM 733 CZ3 TRP A 49 75.963 42.936 -14.421 1.00 0.00 C ATOM 734 CH2 TRP A 49 76.027 41.880 -15.339 1.00 0.00 C ATOM 0 H TRP A 49 73.655 42.855 -8.251 1.00 0.00 H new ATOM 0 HA TRP A 49 74.231 40.255 -8.985 1.00 0.00 H new ATOM 0 HB2 TRP A 49 72.734 41.675 -10.255 1.00 0.00 H new ATOM 0 HB3 TRP A 49 74.016 42.819 -10.601 1.00 0.00 H new ATOM 0 HD1 TRP A 49 73.304 39.042 -11.338 1.00 0.00 H new ATOM 0 HE1 TRP A 49 74.181 38.481 -13.706 1.00 0.00 H new ATOM 0 HE3 TRP A 49 75.312 43.598 -12.489 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 75.546 39.840 -15.758 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 76.394 43.891 -14.681 1.00 0.00 H new ATOM 0 HH2 TRP A 49 76.506 42.037 -16.294 1.00 0.00 H new ATOM 745 N LEU A 50 76.752 42.311 -9.469 1.00 0.00 N ATOM 746 CA LEU A 50 78.181 42.371 -9.757 1.00 0.00 C ATOM 747 C LEU A 50 78.964 41.453 -8.824 1.00 0.00 C ATOM 748 O LEU A 50 79.519 40.443 -9.255 1.00 0.00 O ATOM 749 CB LEU A 50 78.689 43.808 -9.622 1.00 0.00 C ATOM 750 CG LEU A 50 80.129 44.056 -10.072 1.00 0.00 C ATOM 751 CD1 LEU A 50 80.302 43.686 -11.537 1.00 0.00 C ATOM 752 CD2 LEU A 50 80.518 45.508 -9.837 1.00 0.00 C ATOM 0 H LEU A 50 76.341 43.201 -9.189 1.00 0.00 H new ATOM 0 HA LEU A 50 78.334 42.033 -10.782 1.00 0.00 H new ATOM 0 HB2 LEU A 50 78.032 44.460 -10.198 1.00 0.00 H new ATOM 0 HB3 LEU A 50 78.599 44.107 -8.578 1.00 0.00 H new ATOM 0 HG LEU A 50 80.789 43.423 -9.479 1.00 0.00 H new ATOM 0 HD11 LEU A 50 81.333 43.869 -11.839 1.00 0.00 H new ATOM 0 HD12 LEU A 50 80.065 42.631 -11.676 1.00 0.00 H new ATOM 0 HD13 LEU A 50 79.632 44.292 -12.147 1.00 0.00 H new ATOM 0 HD21 LEU A 50 81.546 45.667 -10.163 1.00 0.00 H new ATOM 0 HD22 LEU A 50 79.853 46.159 -10.404 1.00 0.00 H new ATOM 0 HD23 LEU A 50 80.434 45.740 -8.775 1.00 0.00 H new ATOM 764 N GLU A 51 79.000 41.810 -7.544 1.00 0.00 N ATOM 765 CA GLU A 51 79.714 41.017 -6.551 1.00 0.00 C ATOM 766 C GLU A 51 79.276 39.556 -6.605 1.00 0.00 C ATOM 767 O GLU A 51 80.082 38.648 -6.403 1.00 0.00 O ATOM 768 CB GLU A 51 79.475 41.580 -5.148 1.00 0.00 C ATOM 769 CG GLU A 51 80.354 42.773 -4.814 1.00 0.00 C ATOM 770 CD GLU A 51 80.254 43.879 -5.847 1.00 0.00 C ATOM 771 OE1 GLU A 51 80.892 43.756 -6.913 1.00 0.00 O ATOM 772 OE2 GLU A 51 79.537 44.869 -5.587 1.00 0.00 O ATOM 0 H GLU A 51 78.543 42.642 -7.171 1.00 0.00 H new ATOM 0 HA GLU A 51 80.779 41.069 -6.779 1.00 0.00 H new ATOM 0 HB2 GLU A 51 78.429 41.873 -5.056 1.00 0.00 H new ATOM 0 HB3 GLU A 51 79.651 40.793 -4.415 1.00 0.00 H new ATOM 0 HG2 GLU A 51 80.071 43.166 -3.838 1.00 0.00 H new ATOM 0 HG3 GLU A 51 81.391 42.445 -4.737 1.00 0.00 H new ATOM 779 N TRP A 52 77.995 39.338 -6.879 1.00 0.00 N ATOM 780 CA TRP A 52 77.450 37.988 -6.959 1.00 0.00 C ATOM 781 C TRP A 52 78.103 37.203 -8.091 1.00 0.00 C ATOM 782 O TRP A 52 78.659 36.127 -7.872 1.00 0.00 O ATOM 783 CB TRP A 52 75.935 38.039 -7.166 1.00 0.00 C ATOM 784 CG TRP A 52 75.302 36.684 -7.257 1.00 0.00 C ATOM 785 CD1 TRP A 52 74.812 35.937 -6.224 1.00 0.00 C ATOM 786 CD2 TRP A 52 75.092 35.914 -8.446 1.00 0.00 C ATOM 787 NE1 TRP A 52 74.311 34.749 -6.699 1.00 0.00 N ATOM 788 CE2 TRP A 52 74.469 34.711 -8.059 1.00 0.00 C ATOM 789 CE3 TRP A 52 75.367 36.125 -9.799 1.00 0.00 C ATOM 790 CZ2 TRP A 52 74.120 33.725 -8.977 1.00 0.00 C ATOM 791 CZ3 TRP A 52 75.020 35.145 -10.710 1.00 0.00 C ATOM 792 CH2 TRP A 52 74.401 33.958 -10.296 1.00 0.00 C ATOM 0 H TRP A 52 77.315 40.078 -7.049 1.00 0.00 H new ATOM 0 HA TRP A 52 77.665 37.480 -6.019 1.00 0.00 H new ATOM 0 HB2 TRP A 52 75.481 38.589 -6.342 1.00 0.00 H new ATOM 0 HB3 TRP A 52 75.719 38.595 -8.078 1.00 0.00 H new ATOM 0 HD1 TRP A 52 74.817 36.236 -5.186 1.00 0.00 H new ATOM 0 HE1 TRP A 52 73.890 34.014 -6.131 1.00 0.00 H new ATOM 0 HE3 TRP A 52 75.842 37.037 -10.128 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 73.644 32.809 -8.660 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 75.230 35.297 -11.759 1.00 0.00 H new ATOM 0 HH2 TRP A 52 74.140 33.212 -11.032 1.00 0.00 H new ATOM 803 N ALA A 53 78.033 37.748 -9.301 1.00 0.00 N ATOM 804 CA ALA A 53 78.621 37.099 -10.466 1.00 0.00 C ATOM 805 C ALA A 53 80.094 36.782 -10.233 1.00 0.00 C ATOM 806 O ALA A 53 80.538 35.654 -10.452 1.00 0.00 O ATOM 807 CB ALA A 53 78.456 37.976 -11.698 1.00 0.00 C ATOM 0 H ALA A 53 77.575 38.637 -9.500 1.00 0.00 H new ATOM 0 HA ALA A 53 78.096 36.158 -10.631 1.00 0.00 H new ATOM 0 HB1 ALA A 53 78.900 37.479 -12.561 1.00 0.00 H new ATOM 0 HB2 ALA A 53 77.396 38.147 -11.884 1.00 0.00 H new ATOM 0 HB3 ALA A 53 78.954 38.931 -11.534 1.00 0.00 H new ATOM 813 N ILE A 54 80.847 37.783 -9.790 1.00 0.00 N ATOM 814 CA ILE A 54 82.270 37.609 -9.528 1.00 0.00 C ATOM 815 C ILE A 54 82.512 36.489 -8.522 1.00 0.00 C ATOM 816 O ILE A 54 83.579 35.875 -8.503 1.00 0.00 O ATOM 817 CB ILE A 54 82.907 38.907 -8.996 1.00 0.00 C ATOM 818 CG1 ILE A 54 82.701 40.048 -9.995 1.00 0.00 C ATOM 819 CG2 ILE A 54 84.389 38.697 -8.722 1.00 0.00 C ATOM 820 CD1 ILE A 54 83.117 41.401 -9.461 1.00 0.00 C ATOM 0 H ILE A 54 80.495 38.722 -9.605 1.00 0.00 H new ATOM 0 HA ILE A 54 82.735 37.347 -10.478 1.00 0.00 H new ATOM 0 HB ILE A 54 82.419 39.176 -8.059 1.00 0.00 H new ATOM 0 HG12 ILE A 54 83.268 39.834 -10.901 1.00 0.00 H new ATOM 0 HG13 ILE A 54 81.649 40.086 -10.279 1.00 0.00 H new ATOM 0 HG21 ILE A 54 84.824 39.623 -8.347 1.00 0.00 H new ATOM 0 HG22 ILE A 54 84.514 37.910 -7.978 1.00 0.00 H new ATOM 0 HG23 ILE A 54 84.892 38.407 -9.645 1.00 0.00 H new ATOM 0 HD11 ILE A 54 82.943 42.162 -10.222 1.00 0.00 H new ATOM 0 HD12 ILE A 54 82.532 41.637 -8.572 1.00 0.00 H new ATOM 0 HD13 ILE A 54 84.176 41.381 -9.204 1.00 0.00 H new ATOM 832 N LYS A 55 81.512 36.226 -7.687 1.00 0.00 N ATOM 833 CA LYS A 55 81.612 35.177 -6.679 1.00 0.00 C ATOM 834 C LYS A 55 81.231 33.822 -7.265 1.00 0.00 C ATOM 835 O LYS A 55 82.048 32.902 -7.308 1.00 0.00 O ATOM 836 CB LYS A 55 80.711 35.501 -5.485 1.00 0.00 C ATOM 837 CG LYS A 55 81.430 36.223 -4.359 1.00 0.00 C ATOM 838 CD LYS A 55 81.932 35.251 -3.304 1.00 0.00 C ATOM 839 CE LYS A 55 83.075 34.397 -3.833 1.00 0.00 C ATOM 840 NZ LYS A 55 83.912 33.847 -2.730 1.00 0.00 N ATOM 0 H LYS A 55 80.623 36.725 -7.689 1.00 0.00 H new ATOM 0 HA LYS A 55 82.647 35.129 -6.342 1.00 0.00 H new ATOM 0 HB2 LYS A 55 79.878 36.115 -5.826 1.00 0.00 H new ATOM 0 HB3 LYS A 55 80.287 34.574 -5.099 1.00 0.00 H new ATOM 0 HG2 LYS A 55 82.270 36.787 -4.765 1.00 0.00 H new ATOM 0 HG3 LYS A 55 80.755 36.944 -3.899 1.00 0.00 H new ATOM 0 HD2 LYS A 55 82.266 35.805 -2.427 1.00 0.00 H new ATOM 0 HD3 LYS A 55 81.114 34.607 -2.982 1.00 0.00 H new ATOM 0 HE2 LYS A 55 82.671 33.577 -4.426 1.00 0.00 H new ATOM 0 HE3 LYS A 55 83.698 34.995 -4.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 84.680 33.271 -3.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 84.318 34.630 -2.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 83.323 33.255 -2.109 1.00 0.00 H new ATOM 854 N GLU A 56 79.986 33.706 -7.715 1.00 0.00 N ATOM 855 CA GLU A 56 79.498 32.462 -8.299 1.00 0.00 C ATOM 856 C GLU A 56 80.402 32.005 -9.440 1.00 0.00 C ATOM 857 O GLU A 56 81.045 30.959 -9.356 1.00 0.00 O ATOM 858 CB GLU A 56 78.065 32.639 -8.808 1.00 0.00 C ATOM 859 CG GLU A 56 77.265 31.347 -8.834 1.00 0.00 C ATOM 860 CD GLU A 56 77.199 30.675 -7.476 1.00 0.00 C ATOM 861 OE1 GLU A 56 77.264 31.392 -6.456 1.00 0.00 O ATOM 862 OE2 GLU A 56 77.083 29.432 -7.434 1.00 0.00 O ATOM 0 H GLU A 56 79.297 34.458 -7.687 1.00 0.00 H new ATOM 0 HA GLU A 56 79.508 31.697 -7.522 1.00 0.00 H new ATOM 0 HB2 GLU A 56 77.550 33.363 -8.176 1.00 0.00 H new ATOM 0 HB3 GLU A 56 78.095 33.059 -9.814 1.00 0.00 H new ATOM 0 HG2 GLU A 56 76.253 31.557 -9.181 1.00 0.00 H new ATOM 0 HG3 GLU A 56 77.713 30.661 -9.553 1.00 0.00 H new ATOM 869 N TYR A 57 80.444 32.796 -10.506 1.00 0.00 N ATOM 870 CA TYR A 57 81.266 32.473 -11.666 1.00 0.00 C ATOM 871 C TYR A 57 82.743 32.417 -11.289 1.00 0.00 C ATOM 872 O TYR A 57 83.534 31.726 -11.931 1.00 0.00 O ATOM 873 CB TYR A 57 81.051 33.505 -12.774 1.00 0.00 C ATOM 874 CG TYR A 57 79.699 33.402 -13.444 1.00 0.00 C ATOM 875 CD1 TYR A 57 79.512 32.586 -14.553 1.00 0.00 C ATOM 876 CD2 TYR A 57 78.609 34.120 -12.968 1.00 0.00 C ATOM 877 CE1 TYR A 57 78.279 32.488 -15.169 1.00 0.00 C ATOM 878 CE2 TYR A 57 77.372 34.027 -13.576 1.00 0.00 C ATOM 879 CZ TYR A 57 77.212 33.210 -14.676 1.00 0.00 C ATOM 880 OH TYR A 57 75.982 33.117 -15.286 1.00 0.00 O ATOM 0 H TYR A 57 79.918 33.666 -10.591 1.00 0.00 H new ATOM 0 HA TYR A 57 80.964 31.491 -12.030 1.00 0.00 H new ATOM 0 HB2 TYR A 57 81.164 34.505 -12.355 1.00 0.00 H new ATOM 0 HB3 TYR A 57 81.830 33.385 -13.527 1.00 0.00 H new ATOM 0 HD1 TYR A 57 80.345 32.018 -14.940 1.00 0.00 H new ATOM 0 HD2 TYR A 57 78.731 34.762 -12.108 1.00 0.00 H new ATOM 0 HE1 TYR A 57 78.151 31.850 -16.031 1.00 0.00 H new ATOM 0 HE2 TYR A 57 76.535 34.591 -13.192 1.00 0.00 H new ATOM 0 HH TYR A 57 75.295 32.935 -14.611 1.00 0.00 H new ATOM 890 N SER A 58 83.108 33.150 -10.241 1.00 0.00 N ATOM 891 CA SER A 58 84.490 33.187 -9.778 1.00 0.00 C ATOM 892 C SER A 58 85.404 33.781 -10.845 1.00 0.00 C ATOM 893 O SER A 58 86.364 33.143 -11.282 1.00 0.00 O ATOM 894 CB SER A 58 84.964 31.780 -9.409 1.00 0.00 C ATOM 895 OG SER A 58 86.036 31.830 -8.482 1.00 0.00 O ATOM 0 H SER A 58 82.466 33.726 -9.697 1.00 0.00 H new ATOM 0 HA SER A 58 84.534 33.821 -8.893 1.00 0.00 H new ATOM 0 HB2 SER A 58 84.136 31.214 -8.982 1.00 0.00 H new ATOM 0 HB3 SER A 58 85.281 31.252 -10.308 1.00 0.00 H new ATOM 0 HG SER A 58 86.320 30.919 -8.261 1.00 0.00 H new ATOM 901 N LEU A 59 85.100 35.005 -11.262 1.00 0.00 N ATOM 902 CA LEU A 59 85.894 35.686 -12.278 1.00 0.00 C ATOM 903 C LEU A 59 87.182 36.243 -11.681 1.00 0.00 C ATOM 904 O LEU A 59 87.526 35.946 -10.537 1.00 0.00 O ATOM 905 CB LEU A 59 85.082 36.817 -12.914 1.00 0.00 C ATOM 906 CG LEU A 59 83.656 36.464 -13.336 1.00 0.00 C ATOM 907 CD1 LEU A 59 82.860 37.725 -13.635 1.00 0.00 C ATOM 908 CD2 LEU A 59 83.670 35.541 -14.545 1.00 0.00 C ATOM 0 H LEU A 59 84.309 35.546 -10.912 1.00 0.00 H new ATOM 0 HA LEU A 59 86.157 34.959 -13.046 1.00 0.00 H new ATOM 0 HB2 LEU A 59 85.036 37.646 -12.208 1.00 0.00 H new ATOM 0 HB3 LEU A 59 85.621 37.175 -13.791 1.00 0.00 H new ATOM 0 HG LEU A 59 83.173 35.941 -12.511 1.00 0.00 H new ATOM 0 HD11 LEU A 59 81.847 37.454 -13.934 1.00 0.00 H new ATOM 0 HD12 LEU A 59 82.820 38.350 -12.743 1.00 0.00 H new ATOM 0 HD13 LEU A 59 83.341 38.276 -14.443 1.00 0.00 H new ATOM 0 HD21 LEU A 59 82.646 35.300 -14.831 1.00 0.00 H new ATOM 0 HD22 LEU A 59 84.172 36.037 -15.376 1.00 0.00 H new ATOM 0 HD23 LEU A 59 84.202 34.623 -14.296 1.00 0.00 H new ATOM 920 N MET A 60 87.888 37.055 -12.462 1.00 0.00 N ATOM 921 CA MET A 60 89.136 37.656 -12.008 1.00 0.00 C ATOM 922 C MET A 60 89.485 38.883 -12.845 1.00 0.00 C ATOM 923 O MET A 60 89.221 38.920 -14.046 1.00 0.00 O ATOM 924 CB MET A 60 90.274 36.636 -12.078 1.00 0.00 C ATOM 925 CG MET A 60 90.390 35.948 -13.428 1.00 0.00 C ATOM 926 SD MET A 60 92.085 35.478 -13.826 1.00 0.00 S ATOM 927 CE MET A 60 91.851 33.787 -14.367 1.00 0.00 C ATOM 0 H MET A 60 87.617 37.311 -13.411 1.00 0.00 H new ATOM 0 HA MET A 60 89.003 37.970 -10.973 1.00 0.00 H new ATOM 0 HB2 MET A 60 91.215 37.138 -11.853 1.00 0.00 H new ATOM 0 HB3 MET A 60 90.123 35.881 -11.306 1.00 0.00 H new ATOM 0 HG2 MET A 60 89.760 35.059 -13.433 1.00 0.00 H new ATOM 0 HG3 MET A 60 90.010 36.613 -14.204 1.00 0.00 H new ATOM 0 HE1 MET A 60 92.813 33.358 -14.648 1.00 0.00 H new ATOM 0 HE2 MET A 60 91.416 33.202 -13.556 1.00 0.00 H new ATOM 0 HE3 MET A 60 91.181 33.769 -15.227 1.00 0.00 H new ATOM 937 N GLU A 61 90.078 39.884 -12.202 1.00 0.00 N ATOM 938 CA GLU A 61 90.461 41.112 -12.889 1.00 0.00 C ATOM 939 C GLU A 61 89.244 41.789 -13.511 1.00 0.00 C ATOM 940 O GLU A 61 88.980 41.642 -14.705 1.00 0.00 O ATOM 941 CB GLU A 61 91.501 40.814 -13.971 1.00 0.00 C ATOM 942 CG GLU A 61 92.669 39.975 -13.479 1.00 0.00 C ATOM 943 CD GLU A 61 93.912 40.151 -14.328 1.00 0.00 C ATOM 944 OE1 GLU A 61 94.432 41.285 -14.391 1.00 0.00 O ATOM 945 OE2 GLU A 61 94.366 39.156 -14.931 1.00 0.00 O ATOM 0 H GLU A 61 90.303 39.869 -11.207 1.00 0.00 H new ATOM 0 HA GLU A 61 90.896 41.789 -12.154 1.00 0.00 H new ATOM 0 HB2 GLU A 61 91.015 40.295 -14.797 1.00 0.00 H new ATOM 0 HB3 GLU A 61 91.882 41.756 -14.366 1.00 0.00 H new ATOM 0 HG2 GLU A 61 92.897 40.245 -12.448 1.00 0.00 H new ATOM 0 HG3 GLU A 61 92.381 38.924 -13.477 1.00 0.00 H new ATOM 952 N ILE A 62 88.505 42.531 -12.693 1.00 0.00 N ATOM 953 CA ILE A 62 87.316 43.232 -13.162 1.00 0.00 C ATOM 954 C ILE A 62 87.119 44.544 -12.411 1.00 0.00 C ATOM 955 O ILE A 62 87.360 44.624 -11.206 1.00 0.00 O ATOM 956 CB ILE A 62 86.052 42.367 -13.001 1.00 0.00 C ATOM 957 CG1 ILE A 62 84.865 43.023 -13.708 1.00 0.00 C ATOM 958 CG2 ILE A 62 85.744 42.149 -11.527 1.00 0.00 C ATOM 959 CD1 ILE A 62 83.665 42.111 -13.847 1.00 0.00 C ATOM 0 H ILE A 62 88.709 42.662 -11.702 1.00 0.00 H new ATOM 0 HA ILE A 62 87.471 43.442 -14.220 1.00 0.00 H new ATOM 0 HB ILE A 62 86.233 41.396 -13.462 1.00 0.00 H new ATOM 0 HG12 ILE A 62 84.571 43.915 -13.155 1.00 0.00 H new ATOM 0 HG13 ILE A 62 85.179 43.351 -14.699 1.00 0.00 H new ATOM 0 HG21 ILE A 62 84.848 41.536 -11.429 1.00 0.00 H new ATOM 0 HG22 ILE A 62 86.584 41.643 -11.051 1.00 0.00 H new ATOM 0 HG23 ILE A 62 85.579 43.112 -11.043 1.00 0.00 H new ATOM 0 HD11 ILE A 62 82.862 42.642 -14.357 1.00 0.00 H new ATOM 0 HD12 ILE A 62 83.943 41.230 -14.426 1.00 0.00 H new ATOM 0 HD13 ILE A 62 83.325 41.803 -12.858 1.00 0.00 H new ATOM 971 N ASP A 63 86.678 45.571 -13.130 1.00 0.00 N ATOM 972 CA ASP A 63 86.445 46.880 -12.532 1.00 0.00 C ATOM 973 C ASP A 63 85.119 46.905 -11.779 1.00 0.00 C ATOM 974 O ASP A 63 84.094 46.449 -12.288 1.00 0.00 O ATOM 975 CB ASP A 63 86.455 47.966 -13.609 1.00 0.00 C ATOM 976 CG ASP A 63 87.813 48.623 -13.756 1.00 0.00 C ATOM 977 OD1 ASP A 63 88.126 49.524 -12.951 1.00 0.00 O ATOM 978 OD2 ASP A 63 88.563 48.236 -14.677 1.00 0.00 O ATOM 0 H ASP A 63 86.475 45.522 -14.128 1.00 0.00 H new ATOM 0 HA ASP A 63 87.249 47.076 -11.822 1.00 0.00 H new ATOM 0 HB2 ASP A 63 86.160 47.530 -14.563 1.00 0.00 H new ATOM 0 HB3 ASP A 63 85.712 48.725 -13.363 1.00 0.00 H new ATOM 983 N THR A 64 85.145 47.439 -10.562 1.00 0.00 N ATOM 984 CA THR A 64 83.946 47.522 -9.737 1.00 0.00 C ATOM 985 C THR A 64 83.404 48.946 -9.696 1.00 0.00 C ATOM 986 O THR A 64 82.197 49.158 -9.579 1.00 0.00 O ATOM 987 CB THR A 64 84.220 47.047 -8.298 1.00 0.00 C ATOM 988 OG1 THR A 64 85.631 46.966 -8.069 1.00 0.00 O ATOM 989 CG2 THR A 64 83.581 45.689 -8.045 1.00 0.00 C ATOM 0 H THR A 64 85.984 47.821 -10.125 1.00 0.00 H new ATOM 0 HA THR A 64 83.203 46.867 -10.192 1.00 0.00 H new ATOM 0 HB THR A 64 83.782 47.771 -7.611 1.00 0.00 H new ATOM 0 HG1 THR A 64 85.797 46.665 -7.151 1.00 0.00 H new ATOM 0 HG21 THR A 64 83.788 45.374 -7.022 1.00 0.00 H new ATOM 0 HG22 THR A 64 82.503 45.761 -8.191 1.00 0.00 H new ATOM 0 HG23 THR A 64 83.993 44.958 -8.740 1.00 0.00 H new ATOM 997 N SER A 65 84.303 49.920 -9.792 1.00 0.00 N ATOM 998 CA SER A 65 83.915 51.325 -9.762 1.00 0.00 C ATOM 999 C SER A 65 83.053 51.676 -10.971 1.00 0.00 C ATOM 1000 O SER A 65 82.191 52.552 -10.900 1.00 0.00 O ATOM 1001 CB SER A 65 85.157 52.218 -9.730 1.00 0.00 C ATOM 1002 OG SER A 65 86.284 51.544 -10.262 1.00 0.00 O ATOM 0 H SER A 65 85.306 49.762 -9.891 1.00 0.00 H new ATOM 0 HA SER A 65 83.330 51.496 -8.858 1.00 0.00 H new ATOM 0 HB2 SER A 65 84.970 53.127 -10.302 1.00 0.00 H new ATOM 0 HB3 SER A 65 85.363 52.523 -8.704 1.00 0.00 H new ATOM 0 HG SER A 65 87.064 52.137 -10.232 1.00 0.00 H new ATOM 1008 N PHE A 66 83.292 50.985 -12.081 1.00 0.00 N ATOM 1009 CA PHE A 66 82.539 51.224 -13.306 1.00 0.00 C ATOM 1010 C PHE A 66 81.042 51.042 -13.069 1.00 0.00 C ATOM 1011 O PHE A 66 80.216 51.654 -13.747 1.00 0.00 O ATOM 1012 CB PHE A 66 83.010 50.276 -14.412 1.00 0.00 C ATOM 1013 CG PHE A 66 82.917 50.869 -15.789 1.00 0.00 C ATOM 1014 CD1 PHE A 66 81.753 50.749 -16.532 1.00 0.00 C ATOM 1015 CD2 PHE A 66 83.993 51.545 -16.340 1.00 0.00 C ATOM 1016 CE1 PHE A 66 81.664 51.294 -17.799 1.00 0.00 C ATOM 1017 CE2 PHE A 66 83.910 52.092 -17.607 1.00 0.00 C ATOM 1018 CZ PHE A 66 82.744 51.965 -18.338 1.00 0.00 C ATOM 0 H PHE A 66 84.001 50.256 -12.157 1.00 0.00 H new ATOM 0 HA PHE A 66 82.717 52.253 -13.618 1.00 0.00 H new ATOM 0 HB2 PHE A 66 84.043 49.989 -14.218 1.00 0.00 H new ATOM 0 HB3 PHE A 66 82.414 49.364 -14.377 1.00 0.00 H new ATOM 0 HD1 PHE A 66 80.906 50.224 -16.116 1.00 0.00 H new ATOM 0 HD2 PHE A 66 84.907 51.646 -15.774 1.00 0.00 H new ATOM 0 HE1 PHE A 66 80.751 51.195 -18.367 1.00 0.00 H new ATOM 0 HE2 PHE A 66 84.756 52.618 -18.025 1.00 0.00 H new ATOM 0 HZ PHE A 66 82.678 52.390 -19.329 1.00 0.00 H new ATOM 1028 N PHE A 67 80.701 50.197 -12.103 1.00 0.00 N ATOM 1029 CA PHE A 67 79.304 49.933 -11.776 1.00 0.00 C ATOM 1030 C PHE A 67 78.923 50.584 -10.450 1.00 0.00 C ATOM 1031 O PHE A 67 78.012 50.125 -9.761 1.00 0.00 O ATOM 1032 CB PHE A 67 79.050 48.425 -11.708 1.00 0.00 C ATOM 1033 CG PHE A 67 79.576 47.675 -12.898 1.00 0.00 C ATOM 1034 CD1 PHE A 67 78.819 47.563 -14.053 1.00 0.00 C ATOM 1035 CD2 PHE A 67 80.828 47.081 -12.862 1.00 0.00 C ATOM 1036 CE1 PHE A 67 79.301 46.873 -15.150 1.00 0.00 C ATOM 1037 CE2 PHE A 67 81.314 46.390 -13.956 1.00 0.00 C ATOM 1038 CZ PHE A 67 80.549 46.285 -15.101 1.00 0.00 C ATOM 0 H PHE A 67 81.372 49.683 -11.532 1.00 0.00 H new ATOM 0 HA PHE A 67 78.685 50.364 -12.563 1.00 0.00 H new ATOM 0 HB2 PHE A 67 79.512 48.027 -10.804 1.00 0.00 H new ATOM 0 HB3 PHE A 67 77.978 48.249 -11.622 1.00 0.00 H new ATOM 0 HD1 PHE A 67 77.841 48.020 -14.097 1.00 0.00 H new ATOM 0 HD2 PHE A 67 81.430 47.159 -11.969 1.00 0.00 H new ATOM 0 HE1 PHE A 67 78.701 46.794 -16.045 1.00 0.00 H new ATOM 0 HE2 PHE A 67 82.291 45.932 -13.915 1.00 0.00 H new ATOM 0 HZ PHE A 67 80.926 45.744 -15.956 1.00 0.00 H new ATOM 1048 N GLN A 68 79.628 51.655 -10.100 1.00 0.00 N ATOM 1049 CA GLN A 68 79.364 52.369 -8.856 1.00 0.00 C ATOM 1050 C GLN A 68 77.922 52.861 -8.805 1.00 0.00 C ATOM 1051 O GLN A 68 77.096 52.318 -8.073 1.00 0.00 O ATOM 1052 CB GLN A 68 80.325 53.550 -8.708 1.00 0.00 C ATOM 1053 CG GLN A 68 81.545 53.240 -7.855 1.00 0.00 C ATOM 1054 CD GLN A 68 81.679 54.172 -6.667 1.00 0.00 C ATOM 1055 OE1 GLN A 68 81.114 53.924 -5.602 1.00 0.00 O ATOM 1056 NE2 GLN A 68 82.431 55.252 -6.844 1.00 0.00 N ATOM 0 H GLN A 68 80.385 52.047 -10.659 1.00 0.00 H new ATOM 0 HA GLN A 68 79.520 51.676 -8.029 1.00 0.00 H new ATOM 0 HB2 GLN A 68 80.655 53.865 -9.698 1.00 0.00 H new ATOM 0 HB3 GLN A 68 79.789 54.391 -8.268 1.00 0.00 H new ATOM 0 HG2 GLN A 68 81.483 52.211 -7.500 1.00 0.00 H new ATOM 0 HG3 GLN A 68 82.442 53.311 -8.471 1.00 0.00 H new ATOM 0 HE21 GLN A 68 82.881 55.418 -7.744 1.00 0.00 H new ATOM 0 HE22 GLN A 68 82.559 55.915 -6.080 1.00 0.00 H new ATOM 1065 N ASN A 69 77.627 53.894 -9.589 1.00 0.00 N ATOM 1066 CA ASN A 69 76.284 54.461 -9.633 1.00 0.00 C ATOM 1067 C ASN A 69 75.675 54.310 -11.023 1.00 0.00 C ATOM 1068 O ASN A 69 74.814 55.093 -11.423 1.00 0.00 O ATOM 1069 CB ASN A 69 76.318 55.938 -9.236 1.00 0.00 C ATOM 1070 CG ASN A 69 74.950 56.464 -8.846 1.00 0.00 C ATOM 1071 OD1 ASN A 69 74.270 57.109 -9.645 1.00 0.00 O ATOM 1072 ND2 ASN A 69 74.540 56.189 -7.613 1.00 0.00 N ATOM 0 H ASN A 69 78.300 54.355 -10.202 1.00 0.00 H new ATOM 0 HA ASN A 69 75.663 53.915 -8.923 1.00 0.00 H new ATOM 0 HB2 ASN A 69 77.007 56.071 -8.402 1.00 0.00 H new ATOM 0 HB3 ASN A 69 76.707 56.526 -10.067 1.00 0.00 H new ATOM 0 HD21 ASN A 69 73.628 56.516 -7.294 1.00 0.00 H new ATOM 0 HD22 ASN A 69 75.137 55.651 -6.985 1.00 0.00 H new ATOM 1079 N MET A 70 76.128 53.297 -11.755 1.00 0.00 N ATOM 1080 CA MET A 70 75.626 53.042 -13.100 1.00 0.00 C ATOM 1081 C MET A 70 74.133 52.732 -13.074 1.00 0.00 C ATOM 1082 O MET A 70 73.679 51.884 -12.306 1.00 0.00 O ATOM 1083 CB MET A 70 76.389 51.880 -13.740 1.00 0.00 C ATOM 1084 CG MET A 70 75.807 51.431 -15.071 1.00 0.00 C ATOM 1085 SD MET A 70 76.678 50.014 -15.767 1.00 0.00 S ATOM 1086 CE MET A 70 77.859 50.834 -16.835 1.00 0.00 C ATOM 0 H MET A 70 76.841 52.640 -11.439 1.00 0.00 H new ATOM 0 HA MET A 70 75.781 53.942 -13.695 1.00 0.00 H new ATOM 0 HB2 MET A 70 77.428 52.176 -13.888 1.00 0.00 H new ATOM 0 HB3 MET A 70 76.393 51.035 -13.051 1.00 0.00 H new ATOM 0 HG2 MET A 70 74.756 51.176 -14.936 1.00 0.00 H new ATOM 0 HG3 MET A 70 75.846 52.260 -15.778 1.00 0.00 H new ATOM 0 HE1 MET A 70 78.664 50.143 -17.085 1.00 0.00 H new ATOM 0 HE2 MET A 70 77.360 51.156 -17.749 1.00 0.00 H new ATOM 0 HE3 MET A 70 78.272 51.702 -16.322 1.00 0.00 H new ATOM 1096 N ASP A 71 73.375 53.425 -13.916 1.00 0.00 N ATOM 1097 CA ASP A 71 71.932 53.223 -13.990 1.00 0.00 C ATOM 1098 C ASP A 71 71.605 51.829 -14.515 1.00 0.00 C ATOM 1099 O ASP A 71 72.226 51.350 -15.463 1.00 0.00 O ATOM 1100 CB ASP A 71 71.293 54.283 -14.888 1.00 0.00 C ATOM 1101 CG ASP A 71 71.884 55.662 -14.668 1.00 0.00 C ATOM 1102 OD1 ASP A 71 72.035 56.063 -13.495 1.00 0.00 O ATOM 1103 OD2 ASP A 71 72.198 56.339 -15.670 1.00 0.00 O ATOM 0 H ASP A 71 73.735 54.132 -14.557 1.00 0.00 H new ATOM 0 HA ASP A 71 71.524 53.317 -12.984 1.00 0.00 H new ATOM 0 HB2 ASP A 71 71.424 53.997 -15.932 1.00 0.00 H new ATOM 0 HB3 ASP A 71 70.220 54.316 -14.699 1.00 0.00 H new ATOM 1108 N GLY A 72 70.625 51.182 -13.891 1.00 0.00 N ATOM 1109 CA GLY A 72 70.233 49.848 -14.308 1.00 0.00 C ATOM 1110 C GLY A 72 69.891 49.780 -15.783 1.00 0.00 C ATOM 1111 O GLY A 72 70.054 48.738 -16.419 1.00 0.00 O ATOM 0 H GLY A 72 70.096 51.558 -13.104 1.00 0.00 H new ATOM 0 HA2 GLY A 72 71.043 49.151 -14.093 1.00 0.00 H new ATOM 0 HA3 GLY A 72 69.371 49.526 -13.723 1.00 0.00 H new ATOM 1115 N LYS A 73 69.415 50.893 -16.331 1.00 0.00 N ATOM 1116 CA LYS A 73 69.048 50.956 -17.741 1.00 0.00 C ATOM 1117 C LYS A 73 70.290 50.990 -18.625 1.00 0.00 C ATOM 1118 O LYS A 73 70.255 50.558 -19.776 1.00 0.00 O ATOM 1119 CB LYS A 73 68.184 52.190 -18.009 1.00 0.00 C ATOM 1120 CG LYS A 73 66.726 51.864 -18.282 1.00 0.00 C ATOM 1121 CD LYS A 73 66.149 52.754 -19.370 1.00 0.00 C ATOM 1122 CE LYS A 73 65.781 51.952 -20.609 1.00 0.00 C ATOM 1123 NZ LYS A 73 65.388 52.833 -21.744 1.00 0.00 N ATOM 0 H LYS A 73 69.274 51.764 -15.820 1.00 0.00 H new ATOM 0 HA LYS A 73 68.476 50.060 -17.983 1.00 0.00 H new ATOM 0 HB2 LYS A 73 68.243 52.858 -17.150 1.00 0.00 H new ATOM 0 HB3 LYS A 73 68.593 52.731 -18.863 1.00 0.00 H new ATOM 0 HG2 LYS A 73 66.636 50.819 -18.579 1.00 0.00 H new ATOM 0 HG3 LYS A 73 66.147 51.986 -17.366 1.00 0.00 H new ATOM 0 HD2 LYS A 73 65.265 53.267 -18.991 1.00 0.00 H new ATOM 0 HD3 LYS A 73 66.874 53.523 -19.635 1.00 0.00 H new ATOM 0 HE2 LYS A 73 66.628 51.333 -20.906 1.00 0.00 H new ATOM 0 HE3 LYS A 73 64.959 51.276 -20.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 65.145 52.248 -22.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 64.564 53.405 -21.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 66.181 53.461 -21.986 1.00 0.00 H new ATOM 1137 N GLU A 74 71.387 51.506 -18.078 1.00 0.00 N ATOM 1138 CA GLU A 74 72.640 51.595 -18.818 1.00 0.00 C ATOM 1139 C GLU A 74 73.289 50.221 -18.956 1.00 0.00 C ATOM 1140 O GLU A 74 74.027 49.963 -19.908 1.00 0.00 O ATOM 1141 CB GLU A 74 73.603 52.558 -18.121 1.00 0.00 C ATOM 1142 CG GLU A 74 73.771 53.882 -18.847 1.00 0.00 C ATOM 1143 CD GLU A 74 74.554 54.897 -18.037 1.00 0.00 C ATOM 1144 OE1 GLU A 74 75.053 54.531 -16.952 1.00 0.00 O ATOM 1145 OE2 GLU A 74 74.667 56.056 -18.486 1.00 0.00 O ATOM 0 H GLU A 74 71.433 51.868 -17.126 1.00 0.00 H new ATOM 0 HA GLU A 74 72.417 51.974 -19.815 1.00 0.00 H new ATOM 0 HB2 GLU A 74 73.243 52.751 -17.110 1.00 0.00 H new ATOM 0 HB3 GLU A 74 74.577 52.079 -18.026 1.00 0.00 H new ATOM 0 HG2 GLU A 74 74.279 53.710 -19.796 1.00 0.00 H new ATOM 0 HG3 GLU A 74 72.788 54.291 -19.082 1.00 0.00 H new ATOM 1152 N LEU A 75 73.010 49.342 -18.000 1.00 0.00 N ATOM 1153 CA LEU A 75 73.566 47.994 -18.013 1.00 0.00 C ATOM 1154 C LEU A 75 73.229 47.279 -19.318 1.00 0.00 C ATOM 1155 O LEU A 75 74.121 46.834 -20.041 1.00 0.00 O ATOM 1156 CB LEU A 75 73.034 47.190 -16.825 1.00 0.00 C ATOM 1157 CG LEU A 75 74.077 46.728 -15.807 1.00 0.00 C ATOM 1158 CD1 LEU A 75 74.306 47.800 -14.753 1.00 0.00 C ATOM 1159 CD2 LEU A 75 73.645 45.421 -15.157 1.00 0.00 C ATOM 0 H LEU A 75 72.401 49.539 -17.205 1.00 0.00 H new ATOM 0 HA LEU A 75 74.650 48.074 -17.933 1.00 0.00 H new ATOM 0 HB2 LEU A 75 72.292 47.796 -16.305 1.00 0.00 H new ATOM 0 HB3 LEU A 75 72.516 46.311 -17.209 1.00 0.00 H new ATOM 0 HG LEU A 75 75.017 46.557 -16.331 1.00 0.00 H new ATOM 0 HD11 LEU A 75 75.051 47.453 -14.037 1.00 0.00 H new ATOM 0 HD12 LEU A 75 74.661 48.712 -15.233 1.00 0.00 H new ATOM 0 HD13 LEU A 75 73.370 48.004 -14.232 1.00 0.00 H new ATOM 0 HD21 LEU A 75 74.399 45.107 -14.435 1.00 0.00 H new ATOM 0 HD22 LEU A 75 72.693 45.566 -14.647 1.00 0.00 H new ATOM 0 HD23 LEU A 75 73.534 44.653 -15.923 1.00 0.00 H new ATOM 1171 N CYS A 76 71.939 47.173 -19.612 1.00 0.00 N ATOM 1172 CA CYS A 76 71.484 46.513 -20.831 1.00 0.00 C ATOM 1173 C CYS A 76 71.926 47.289 -22.067 1.00 0.00 C ATOM 1174 O CYS A 76 72.088 46.720 -23.146 1.00 0.00 O ATOM 1175 CB CYS A 76 69.961 46.371 -20.821 1.00 0.00 C ATOM 1176 SG CYS A 76 69.072 47.940 -20.943 1.00 0.00 S ATOM 0 H CYS A 76 71.189 47.535 -19.023 1.00 0.00 H new ATOM 0 HA CYS A 76 71.934 45.521 -20.867 1.00 0.00 H new ATOM 0 HB2 CYS A 76 69.661 45.731 -21.650 1.00 0.00 H new ATOM 0 HB3 CYS A 76 69.660 45.866 -19.903 1.00 0.00 H new ATOM 0 HG CYS A 76 69.772 48.880 -20.380 1.00 0.00 H new ATOM 1182 N LYS A 77 72.118 48.594 -21.903 1.00 0.00 N ATOM 1183 CA LYS A 77 72.541 49.450 -23.004 1.00 0.00 C ATOM 1184 C LYS A 77 73.981 49.148 -23.407 1.00 0.00 C ATOM 1185 O LYS A 77 74.325 49.181 -24.588 1.00 0.00 O ATOM 1186 CB LYS A 77 72.409 50.923 -22.612 1.00 0.00 C ATOM 1187 CG LYS A 77 71.007 51.479 -22.798 1.00 0.00 C ATOM 1188 CD LYS A 77 70.900 52.904 -22.284 1.00 0.00 C ATOM 1189 CE LYS A 77 71.188 53.917 -23.382 1.00 0.00 C ATOM 1190 NZ LYS A 77 72.650 54.110 -23.589 1.00 0.00 N ATOM 0 H LYS A 77 71.987 49.082 -21.017 1.00 0.00 H new ATOM 0 HA LYS A 77 71.893 49.248 -23.857 1.00 0.00 H new ATOM 0 HB2 LYS A 77 72.702 51.040 -21.569 1.00 0.00 H new ATOM 0 HB3 LYS A 77 73.106 51.513 -23.207 1.00 0.00 H new ATOM 0 HG2 LYS A 77 70.741 51.451 -23.855 1.00 0.00 H new ATOM 0 HG3 LYS A 77 70.291 50.847 -22.272 1.00 0.00 H new ATOM 0 HD2 LYS A 77 69.900 53.073 -21.885 1.00 0.00 H new ATOM 0 HD3 LYS A 77 71.601 53.049 -21.462 1.00 0.00 H new ATOM 0 HE2 LYS A 77 70.730 53.583 -24.313 1.00 0.00 H new ATOM 0 HE3 LYS A 77 70.728 54.871 -23.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 72.826 55.069 -23.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 73.148 53.984 -22.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 72.998 53.412 -24.277 1.00 0.00 H new ATOM 1204 N MET A 78 74.817 48.851 -22.417 1.00 0.00 N ATOM 1205 CA MET A 78 76.219 48.540 -22.669 1.00 0.00 C ATOM 1206 C MET A 78 76.351 47.363 -23.631 1.00 0.00 C ATOM 1207 O MET A 78 75.671 46.348 -23.481 1.00 0.00 O ATOM 1208 CB MET A 78 76.938 48.223 -21.356 1.00 0.00 C ATOM 1209 CG MET A 78 76.920 49.372 -20.362 1.00 0.00 C ATOM 1210 SD MET A 78 78.554 50.089 -20.099 1.00 0.00 S ATOM 1211 CE MET A 78 79.418 48.703 -19.365 1.00 0.00 C ATOM 0 H MET A 78 74.548 48.819 -21.434 1.00 0.00 H new ATOM 0 HA MET A 78 76.682 49.414 -23.127 1.00 0.00 H new ATOM 0 HB2 MET A 78 76.473 47.350 -20.898 1.00 0.00 H new ATOM 0 HB3 MET A 78 77.973 47.957 -21.573 1.00 0.00 H new ATOM 0 HG2 MET A 78 76.241 50.146 -20.720 1.00 0.00 H new ATOM 0 HG3 MET A 78 76.526 49.017 -19.410 1.00 0.00 H new ATOM 0 HE1 MET A 78 80.286 49.066 -18.814 1.00 0.00 H new ATOM 0 HE2 MET A 78 78.749 48.177 -18.683 1.00 0.00 H new ATOM 0 HE3 MET A 78 79.745 48.021 -20.150 1.00 0.00 H new ATOM 1221 N ASN A 79 77.228 47.506 -24.619 1.00 0.00 N ATOM 1222 CA ASN A 79 77.447 46.455 -25.606 1.00 0.00 C ATOM 1223 C ASN A 79 78.771 45.741 -25.355 1.00 0.00 C ATOM 1224 O ASN A 79 79.455 46.005 -24.365 1.00 0.00 O ATOM 1225 CB ASN A 79 77.431 47.042 -27.019 1.00 0.00 C ATOM 1226 CG ASN A 79 76.385 48.128 -27.182 1.00 0.00 C ATOM 1227 OD1 ASN A 79 76.693 49.317 -27.109 1.00 0.00 O ATOM 1228 ND2 ASN A 79 75.141 47.722 -27.404 1.00 0.00 N ATOM 0 H ASN A 79 77.799 48.340 -24.758 1.00 0.00 H new ATOM 0 HA ASN A 79 76.639 45.729 -25.512 1.00 0.00 H new ATOM 0 HB2 ASN A 79 78.414 47.451 -27.251 1.00 0.00 H new ATOM 0 HB3 ASN A 79 77.239 46.246 -27.738 1.00 0.00 H new ATOM 0 HD21 ASN A 79 74.394 48.407 -27.522 1.00 0.00 H new ATOM 0 HD22 ASN A 79 74.932 46.725 -27.457 1.00 0.00 H new ATOM 1235 N LYS A 80 79.128 44.833 -26.257 1.00 0.00 N ATOM 1236 CA LYS A 80 80.371 44.081 -26.137 1.00 0.00 C ATOM 1237 C LYS A 80 81.567 45.021 -26.015 1.00 0.00 C ATOM 1238 O LYS A 80 82.576 44.678 -25.401 1.00 0.00 O ATOM 1239 CB LYS A 80 80.554 43.160 -27.346 1.00 0.00 C ATOM 1240 CG LYS A 80 81.417 41.944 -27.059 1.00 0.00 C ATOM 1241 CD LYS A 80 80.609 40.659 -27.128 1.00 0.00 C ATOM 1242 CE LYS A 80 81.512 39.437 -27.207 1.00 0.00 C ATOM 1243 NZ LYS A 80 80.810 38.267 -27.804 1.00 0.00 N ATOM 0 H LYS A 80 78.573 44.600 -27.080 1.00 0.00 H new ATOM 0 HA LYS A 80 80.313 43.476 -25.232 1.00 0.00 H new ATOM 0 HB2 LYS A 80 79.575 42.827 -27.690 1.00 0.00 H new ATOM 0 HB3 LYS A 80 81.002 43.729 -28.161 1.00 0.00 H new ATOM 0 HG2 LYS A 80 82.235 41.900 -27.778 1.00 0.00 H new ATOM 0 HG3 LYS A 80 81.866 42.040 -26.070 1.00 0.00 H new ATOM 0 HD2 LYS A 80 79.968 40.583 -26.250 1.00 0.00 H new ATOM 0 HD3 LYS A 80 79.954 40.686 -27.999 1.00 0.00 H new ATOM 0 HE2 LYS A 80 82.393 39.675 -27.803 1.00 0.00 H new ATOM 0 HE3 LYS A 80 81.863 39.179 -26.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 81.498 37.511 -27.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 80.090 37.918 -27.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 80.352 38.553 -28.693 1.00 0.00 H new ATOM 1257 N GLU A 81 81.443 46.207 -26.602 1.00 0.00 N ATOM 1258 CA GLU A 81 82.514 47.195 -26.558 1.00 0.00 C ATOM 1259 C GLU A 81 82.539 47.911 -25.210 1.00 0.00 C ATOM 1260 O GLU A 81 83.557 47.917 -24.517 1.00 0.00 O ATOM 1261 CB GLU A 81 82.344 48.215 -27.686 1.00 0.00 C ATOM 1262 CG GLU A 81 82.447 47.609 -29.075 1.00 0.00 C ATOM 1263 CD GLU A 81 83.157 48.519 -30.058 1.00 0.00 C ATOM 1264 OE1 GLU A 81 82.477 49.357 -30.687 1.00 0.00 O ATOM 1265 OE2 GLU A 81 84.391 48.393 -30.199 1.00 0.00 O ATOM 0 H GLU A 81 80.613 46.507 -27.113 1.00 0.00 H new ATOM 0 HA GLU A 81 83.461 46.672 -26.690 1.00 0.00 H new ATOM 0 HB2 GLU A 81 81.374 48.701 -27.582 1.00 0.00 H new ATOM 0 HB3 GLU A 81 83.102 48.991 -27.580 1.00 0.00 H new ATOM 0 HG2 GLU A 81 82.980 46.660 -29.015 1.00 0.00 H new ATOM 0 HG3 GLU A 81 81.446 47.390 -29.447 1.00 0.00 H new ATOM 1272 N ASP A 82 81.413 48.513 -24.846 1.00 0.00 N ATOM 1273 CA ASP A 82 81.304 49.231 -23.582 1.00 0.00 C ATOM 1274 C ASP A 82 81.737 48.348 -22.416 1.00 0.00 C ATOM 1275 O ASP A 82 82.339 48.824 -21.453 1.00 0.00 O ATOM 1276 CB ASP A 82 79.868 49.713 -23.366 1.00 0.00 C ATOM 1277 CG ASP A 82 79.282 50.358 -24.607 1.00 0.00 C ATOM 1278 OD1 ASP A 82 80.057 50.928 -25.402 1.00 0.00 O ATOM 1279 OD2 ASP A 82 78.047 50.293 -24.782 1.00 0.00 O ATOM 0 H ASP A 82 80.562 48.518 -25.409 1.00 0.00 H new ATOM 0 HA ASP A 82 81.967 50.095 -23.626 1.00 0.00 H new ATOM 0 HB2 ASP A 82 79.245 48.869 -23.070 1.00 0.00 H new ATOM 0 HB3 ASP A 82 79.848 50.428 -22.544 1.00 0.00 H new ATOM 1284 N PHE A 83 81.427 47.059 -22.509 1.00 0.00 N ATOM 1285 CA PHE A 83 81.782 46.109 -21.461 1.00 0.00 C ATOM 1286 C PHE A 83 83.258 45.730 -21.549 1.00 0.00 C ATOM 1287 O PHE A 83 83.917 45.515 -20.531 1.00 0.00 O ATOM 1288 CB PHE A 83 80.915 44.854 -21.566 1.00 0.00 C ATOM 1289 CG PHE A 83 79.625 44.951 -20.801 1.00 0.00 C ATOM 1290 CD1 PHE A 83 79.628 45.242 -19.447 1.00 0.00 C ATOM 1291 CD2 PHE A 83 78.411 44.749 -21.437 1.00 0.00 C ATOM 1292 CE1 PHE A 83 78.444 45.332 -18.740 1.00 0.00 C ATOM 1293 CE2 PHE A 83 77.223 44.839 -20.736 1.00 0.00 C ATOM 1294 CZ PHE A 83 77.240 45.129 -19.386 1.00 0.00 C ATOM 0 H PHE A 83 80.931 46.648 -23.300 1.00 0.00 H new ATOM 0 HA PHE A 83 81.603 46.586 -20.497 1.00 0.00 H new ATOM 0 HB2 PHE A 83 80.692 44.663 -22.616 1.00 0.00 H new ATOM 0 HB3 PHE A 83 81.482 43.998 -21.199 1.00 0.00 H new ATOM 0 HD1 PHE A 83 80.567 45.401 -18.937 1.00 0.00 H new ATOM 0 HD2 PHE A 83 78.393 44.519 -22.492 1.00 0.00 H new ATOM 0 HE1 PHE A 83 78.460 45.561 -17.685 1.00 0.00 H new ATOM 0 HE2 PHE A 83 76.283 44.683 -21.244 1.00 0.00 H new ATOM 0 HZ PHE A 83 76.313 45.197 -18.836 1.00 0.00 H new ATOM 1304 N LEU A 84 83.770 45.651 -22.772 1.00 0.00 N ATOM 1305 CA LEU A 84 85.168 45.297 -22.994 1.00 0.00 C ATOM 1306 C LEU A 84 86.096 46.254 -22.253 1.00 0.00 C ATOM 1307 O LEU A 84 87.181 45.868 -21.817 1.00 0.00 O ATOM 1308 CB LEU A 84 85.487 45.316 -24.490 1.00 0.00 C ATOM 1309 CG LEU A 84 85.478 43.959 -25.195 1.00 0.00 C ATOM 1310 CD1 LEU A 84 85.433 44.142 -26.704 1.00 0.00 C ATOM 1311 CD2 LEU A 84 86.696 43.140 -24.792 1.00 0.00 C ATOM 0 H LEU A 84 83.239 45.827 -23.625 1.00 0.00 H new ATOM 0 HA LEU A 84 85.329 44.291 -22.606 1.00 0.00 H new ATOM 0 HB2 LEU A 84 84.766 45.966 -24.987 1.00 0.00 H new ATOM 0 HB3 LEU A 84 86.470 45.767 -24.626 1.00 0.00 H new ATOM 0 HG LEU A 84 84.583 43.418 -24.888 1.00 0.00 H new ATOM 0 HD11 LEU A 84 85.427 43.166 -27.189 1.00 0.00 H new ATOM 0 HD12 LEU A 84 84.530 44.688 -26.977 1.00 0.00 H new ATOM 0 HD13 LEU A 84 86.309 44.703 -27.029 1.00 0.00 H new ATOM 0 HD21 LEU A 84 86.673 42.178 -25.303 1.00 0.00 H new ATOM 0 HD22 LEU A 84 87.603 43.677 -25.070 1.00 0.00 H new ATOM 0 HD23 LEU A 84 86.685 42.978 -23.714 1.00 0.00 H new ATOM 1323 N ARG A 85 85.661 47.502 -22.112 1.00 0.00 N ATOM 1324 CA ARG A 85 86.453 48.513 -21.422 1.00 0.00 C ATOM 1325 C ARG A 85 86.464 48.261 -19.917 1.00 0.00 C ATOM 1326 O ARG A 85 87.398 48.655 -19.219 1.00 0.00 O ATOM 1327 CB ARG A 85 85.900 49.909 -21.712 1.00 0.00 C ATOM 1328 CG ARG A 85 85.870 50.258 -23.191 1.00 0.00 C ATOM 1329 CD ARG A 85 84.617 51.039 -23.555 1.00 0.00 C ATOM 1330 NE ARG A 85 84.919 52.200 -24.387 1.00 0.00 N ATOM 1331 CZ ARG A 85 85.312 52.115 -25.653 1.00 0.00 C ATOM 1332 NH1 ARG A 85 85.450 50.929 -26.230 1.00 0.00 N ATOM 1333 NH2 ARG A 85 85.567 53.218 -26.345 1.00 0.00 N ATOM 0 H ARG A 85 84.765 47.837 -22.466 1.00 0.00 H new ATOM 0 HA ARG A 85 87.477 48.451 -21.791 1.00 0.00 H new ATOM 0 HB2 ARG A 85 84.889 49.981 -21.310 1.00 0.00 H new ATOM 0 HB3 ARG A 85 86.506 50.647 -21.186 1.00 0.00 H new ATOM 0 HG2 ARG A 85 86.752 50.845 -23.445 1.00 0.00 H new ATOM 0 HG3 ARG A 85 85.914 49.344 -23.782 1.00 0.00 H new ATOM 0 HD2 ARG A 85 83.923 50.385 -24.083 1.00 0.00 H new ATOM 0 HD3 ARG A 85 84.116 51.366 -22.644 1.00 0.00 H new ATOM 0 HE ARG A 85 84.823 53.127 -23.973 1.00 0.00 H new ATOM 0 HH11 ARG A 85 85.254 50.079 -25.702 1.00 0.00 H new ATOM 0 HH12 ARG A 85 85.752 50.867 -27.202 1.00 0.00 H new ATOM 0 HH21 ARG A 85 85.461 54.132 -25.905 1.00 0.00 H new ATOM 0 HH22 ARG A 85 85.869 53.152 -27.317 1.00 0.00 H new ATOM 1347 N ALA A 86 85.419 47.604 -19.424 1.00 0.00 N ATOM 1348 CA ALA A 86 85.310 47.298 -18.003 1.00 0.00 C ATOM 1349 C ALA A 86 85.986 45.972 -17.673 1.00 0.00 C ATOM 1350 O ALA A 86 86.649 45.839 -16.644 1.00 0.00 O ATOM 1351 CB ALA A 86 83.848 47.268 -17.581 1.00 0.00 C ATOM 0 H ALA A 86 84.636 47.274 -19.988 1.00 0.00 H new ATOM 0 HA ALA A 86 85.821 48.084 -17.447 1.00 0.00 H new ATOM 0 HB1 ALA A 86 83.781 47.038 -16.518 1.00 0.00 H new ATOM 0 HB2 ALA A 86 83.394 48.241 -17.772 1.00 0.00 H new ATOM 0 HB3 ALA A 86 83.320 46.503 -18.151 1.00 0.00 H new ATOM 1357 N THR A 87 85.813 44.990 -18.553 1.00 0.00 N ATOM 1358 CA THR A 87 86.404 43.673 -18.354 1.00 0.00 C ATOM 1359 C THR A 87 86.799 43.041 -19.683 1.00 0.00 C ATOM 1360 O THR A 87 86.483 43.567 -20.751 1.00 0.00 O ATOM 1361 CB THR A 87 85.437 42.728 -17.616 1.00 0.00 C ATOM 1362 OG1 THR A 87 86.113 41.519 -17.255 1.00 0.00 O ATOM 1363 CG2 THR A 87 84.232 42.401 -18.485 1.00 0.00 C ATOM 0 H THR A 87 85.268 45.083 -19.410 1.00 0.00 H new ATOM 0 HA THR A 87 87.296 43.816 -17.744 1.00 0.00 H new ATOM 0 HB THR A 87 85.089 43.232 -16.714 1.00 0.00 H new ATOM 0 HG1 THR A 87 86.869 41.730 -16.669 1.00 0.00 H new ATOM 0 HG21 THR A 87 83.563 41.732 -17.943 1.00 0.00 H new ATOM 0 HG22 THR A 87 83.702 43.321 -18.734 1.00 0.00 H new ATOM 0 HG23 THR A 87 84.566 41.915 -19.402 1.00 0.00 H new ATOM 1371 N THR A 88 87.490 41.907 -19.613 1.00 0.00 N ATOM 1372 CA THR A 88 87.928 41.203 -20.811 1.00 0.00 C ATOM 1373 C THR A 88 86.748 40.567 -21.538 1.00 0.00 C ATOM 1374 O THR A 88 85.691 40.341 -20.947 1.00 0.00 O ATOM 1375 CB THR A 88 88.959 40.109 -20.475 1.00 0.00 C ATOM 1376 OG1 THR A 88 88.311 39.007 -19.830 1.00 0.00 O ATOM 1377 CG2 THR A 88 90.055 40.657 -19.574 1.00 0.00 C ATOM 0 H THR A 88 87.758 41.457 -18.738 1.00 0.00 H new ATOM 0 HA THR A 88 88.394 41.944 -21.460 1.00 0.00 H new ATOM 0 HB THR A 88 89.412 39.769 -21.406 1.00 0.00 H new ATOM 0 HG1 THR A 88 88.973 38.315 -19.621 1.00 0.00 H new ATOM 0 HG21 THR A 88 90.771 39.866 -19.350 1.00 0.00 H new ATOM 0 HG22 THR A 88 90.565 41.477 -20.079 1.00 0.00 H new ATOM 0 HG23 THR A 88 89.615 41.021 -18.646 1.00 0.00 H new ATOM 1385 N LEU A 89 86.934 40.280 -22.821 1.00 0.00 N ATOM 1386 CA LEU A 89 85.884 39.669 -23.629 1.00 0.00 C ATOM 1387 C LEU A 89 85.367 38.392 -22.973 1.00 0.00 C ATOM 1388 O LEU A 89 84.164 38.127 -22.970 1.00 0.00 O ATOM 1389 CB LEU A 89 86.408 39.359 -25.032 1.00 0.00 C ATOM 1390 CG LEU A 89 85.370 39.371 -26.154 1.00 0.00 C ATOM 1391 CD1 LEU A 89 84.285 38.339 -25.890 1.00 0.00 C ATOM 1392 CD2 LEU A 89 84.763 40.759 -26.304 1.00 0.00 C ATOM 0 H LEU A 89 87.802 40.460 -23.325 1.00 0.00 H new ATOM 0 HA LEU A 89 85.059 40.377 -23.705 1.00 0.00 H new ATOM 0 HB2 LEU A 89 87.186 40.083 -25.276 1.00 0.00 H new ATOM 0 HB3 LEU A 89 86.881 38.377 -25.013 1.00 0.00 H new ATOM 0 HG LEU A 89 85.870 39.111 -27.087 1.00 0.00 H new ATOM 0 HD11 LEU A 89 83.556 38.363 -26.700 1.00 0.00 H new ATOM 0 HD12 LEU A 89 84.733 37.347 -25.834 1.00 0.00 H new ATOM 0 HD13 LEU A 89 83.788 38.567 -24.947 1.00 0.00 H new ATOM 0 HD21 LEU A 89 84.026 40.749 -27.107 1.00 0.00 H new ATOM 0 HD22 LEU A 89 84.279 41.047 -25.371 1.00 0.00 H new ATOM 0 HD23 LEU A 89 85.549 41.476 -26.541 1.00 0.00 H new ATOM 1404 N TYR A 90 86.282 37.606 -22.418 1.00 0.00 N ATOM 1405 CA TYR A 90 85.918 36.357 -21.759 1.00 0.00 C ATOM 1406 C TYR A 90 84.861 36.595 -20.686 1.00 0.00 C ATOM 1407 O TYR A 90 84.035 35.726 -20.409 1.00 0.00 O ATOM 1408 CB TYR A 90 87.154 35.705 -21.137 1.00 0.00 C ATOM 1409 CG TYR A 90 86.844 34.461 -20.336 1.00 0.00 C ATOM 1410 CD1 TYR A 90 86.478 34.546 -18.998 1.00 0.00 C ATOM 1411 CD2 TYR A 90 86.919 33.200 -20.916 1.00 0.00 C ATOM 1412 CE1 TYR A 90 86.194 33.412 -18.262 1.00 0.00 C ATOM 1413 CE2 TYR A 90 86.636 32.061 -20.187 1.00 0.00 C ATOM 1414 CZ TYR A 90 86.274 32.172 -18.861 1.00 0.00 C ATOM 1415 OH TYR A 90 85.993 31.040 -18.132 1.00 0.00 O ATOM 0 H TYR A 90 87.281 37.811 -22.411 1.00 0.00 H new ATOM 0 HA TYR A 90 85.502 35.687 -22.511 1.00 0.00 H new ATOM 0 HB2 TYR A 90 87.858 35.451 -21.929 1.00 0.00 H new ATOM 0 HB3 TYR A 90 87.650 36.429 -20.490 1.00 0.00 H new ATOM 0 HD1 TYR A 90 86.415 35.515 -18.526 1.00 0.00 H new ATOM 0 HD2 TYR A 90 87.203 33.109 -21.954 1.00 0.00 H new ATOM 0 HE1 TYR A 90 85.911 33.496 -17.223 1.00 0.00 H new ATOM 0 HE2 TYR A 90 86.698 31.089 -20.653 1.00 0.00 H new ATOM 0 HH TYR A 90 86.095 30.250 -18.702 1.00 0.00 H new ATOM 1425 N ASN A 91 84.893 37.780 -20.085 1.00 0.00 N ATOM 1426 CA ASN A 91 83.938 38.134 -19.041 1.00 0.00 C ATOM 1427 C ASN A 91 82.714 38.824 -19.635 1.00 0.00 C ATOM 1428 O ASN A 91 81.587 38.611 -19.186 1.00 0.00 O ATOM 1429 CB ASN A 91 84.598 39.045 -18.004 1.00 0.00 C ATOM 1430 CG ASN A 91 85.309 38.264 -16.917 1.00 0.00 C ATOM 1431 OD1 ASN A 91 85.176 37.043 -16.826 1.00 0.00 O ATOM 1432 ND2 ASN A 91 86.069 38.966 -16.084 1.00 0.00 N ATOM 0 H ASN A 91 85.570 38.511 -20.303 1.00 0.00 H new ATOM 0 HA ASN A 91 83.614 37.215 -18.553 1.00 0.00 H new ATOM 0 HB2 ASN A 91 85.312 39.701 -18.503 1.00 0.00 H new ATOM 0 HB3 ASN A 91 83.840 39.684 -17.551 1.00 0.00 H new ATOM 0 HD21 ASN A 91 86.571 38.495 -15.332 1.00 0.00 H new ATOM 0 HD22 ASN A 91 86.150 39.977 -16.197 1.00 0.00 H new ATOM 1439 N THR A 92 82.942 39.652 -20.650 1.00 0.00 N ATOM 1440 CA THR A 92 81.859 40.374 -21.306 1.00 0.00 C ATOM 1441 C THR A 92 80.786 39.416 -21.810 1.00 0.00 C ATOM 1442 O THR A 92 79.603 39.752 -21.835 1.00 0.00 O ATOM 1443 CB THR A 92 82.379 41.213 -22.488 1.00 0.00 C ATOM 1444 OG1 THR A 92 83.337 42.171 -22.025 1.00 0.00 O ATOM 1445 CG2 THR A 92 81.234 41.930 -23.187 1.00 0.00 C ATOM 0 H THR A 92 83.868 39.839 -21.036 1.00 0.00 H new ATOM 0 HA THR A 92 81.426 41.040 -20.560 1.00 0.00 H new ATOM 0 HB THR A 92 82.855 40.540 -23.201 1.00 0.00 H new ATOM 0 HG1 THR A 92 84.119 41.703 -21.663 1.00 0.00 H new ATOM 0 HG21 THR A 92 81.625 42.516 -24.018 1.00 0.00 H new ATOM 0 HG22 THR A 92 80.521 41.196 -23.564 1.00 0.00 H new ATOM 0 HG23 THR A 92 80.734 42.592 -22.480 1.00 0.00 H new ATOM 1453 N GLU A 93 81.208 38.220 -22.211 1.00 0.00 N ATOM 1454 CA GLU A 93 80.281 37.214 -22.716 1.00 0.00 C ATOM 1455 C GLU A 93 79.487 36.585 -21.575 1.00 0.00 C ATOM 1456 O GLU A 93 78.370 36.107 -21.771 1.00 0.00 O ATOM 1457 CB GLU A 93 81.040 36.128 -23.482 1.00 0.00 C ATOM 1458 CG GLU A 93 81.709 36.633 -24.750 1.00 0.00 C ATOM 1459 CD GLU A 93 81.419 35.756 -25.952 1.00 0.00 C ATOM 1460 OE1 GLU A 93 80.253 35.339 -26.115 1.00 0.00 O ATOM 1461 OE2 GLU A 93 82.358 35.486 -26.730 1.00 0.00 O ATOM 0 H GLU A 93 82.184 37.925 -22.196 1.00 0.00 H new ATOM 0 HA GLU A 93 79.584 37.707 -23.393 1.00 0.00 H new ATOM 0 HB2 GLU A 93 81.798 35.696 -22.828 1.00 0.00 H new ATOM 0 HB3 GLU A 93 80.348 35.326 -23.741 1.00 0.00 H new ATOM 0 HG2 GLU A 93 81.370 37.648 -24.956 1.00 0.00 H new ATOM 0 HG3 GLU A 93 82.786 36.683 -24.593 1.00 0.00 H new ATOM 1468 N VAL A 94 80.073 36.589 -20.381 1.00 0.00 N ATOM 1469 CA VAL A 94 79.421 36.021 -19.208 1.00 0.00 C ATOM 1470 C VAL A 94 78.415 36.998 -18.610 1.00 0.00 C ATOM 1471 O VAL A 94 77.432 36.592 -17.989 1.00 0.00 O ATOM 1472 CB VAL A 94 80.448 35.633 -18.127 1.00 0.00 C ATOM 1473 CG1 VAL A 94 79.756 34.970 -16.946 1.00 0.00 C ATOM 1474 CG2 VAL A 94 81.516 34.721 -18.711 1.00 0.00 C ATOM 0 H VAL A 94 80.998 36.980 -20.202 1.00 0.00 H new ATOM 0 HA VAL A 94 78.898 35.124 -19.541 1.00 0.00 H new ATOM 0 HB VAL A 94 80.934 36.541 -17.769 1.00 0.00 H new ATOM 0 HG11 VAL A 94 80.497 34.703 -16.193 1.00 0.00 H new ATOM 0 HG12 VAL A 94 79.032 35.661 -16.514 1.00 0.00 H new ATOM 0 HG13 VAL A 94 79.242 34.070 -17.284 1.00 0.00 H new ATOM 0 HG21 VAL A 94 82.233 34.457 -17.934 1.00 0.00 H new ATOM 0 HG22 VAL A 94 81.049 33.815 -19.097 1.00 0.00 H new ATOM 0 HG23 VAL A 94 82.032 35.237 -19.521 1.00 0.00 H new ATOM 1484 N LEU A 95 78.667 38.288 -18.802 1.00 0.00 N ATOM 1485 CA LEU A 95 77.782 39.326 -18.282 1.00 0.00 C ATOM 1486 C LEU A 95 76.596 39.547 -19.214 1.00 0.00 C ATOM 1487 O LEU A 95 75.441 39.382 -18.817 1.00 0.00 O ATOM 1488 CB LEU A 95 78.553 40.635 -18.098 1.00 0.00 C ATOM 1489 CG LEU A 95 79.770 40.573 -17.175 1.00 0.00 C ATOM 1490 CD1 LEU A 95 80.747 41.691 -17.506 1.00 0.00 C ATOM 1491 CD2 LEU A 95 79.339 40.653 -15.718 1.00 0.00 C ATOM 0 H LEU A 95 79.476 38.641 -19.313 1.00 0.00 H new ATOM 0 HA LEU A 95 77.403 38.996 -17.315 1.00 0.00 H new ATOM 0 HB2 LEU A 95 78.883 40.980 -19.078 1.00 0.00 H new ATOM 0 HB3 LEU A 95 77.866 41.387 -17.710 1.00 0.00 H new ATOM 0 HG LEU A 95 80.274 39.619 -17.332 1.00 0.00 H new ATOM 0 HD11 LEU A 95 81.607 41.632 -16.839 1.00 0.00 H new ATOM 0 HD12 LEU A 95 81.081 41.589 -18.539 1.00 0.00 H new ATOM 0 HD13 LEU A 95 80.254 42.655 -17.378 1.00 0.00 H new ATOM 0 HD21 LEU A 95 80.218 40.607 -15.075 1.00 0.00 H new ATOM 0 HD22 LEU A 95 78.812 41.591 -15.546 1.00 0.00 H new ATOM 0 HD23 LEU A 95 78.678 39.818 -15.488 1.00 0.00 H new ATOM 1503 N LEU A 96 76.887 39.920 -20.456 1.00 0.00 N ATOM 1504 CA LEU A 96 75.844 40.162 -21.446 1.00 0.00 C ATOM 1505 C LEU A 96 74.894 38.971 -21.539 1.00 0.00 C ATOM 1506 O LEU A 96 73.675 39.134 -21.508 1.00 0.00 O ATOM 1507 CB LEU A 96 76.468 40.438 -22.815 1.00 0.00 C ATOM 1508 CG LEU A 96 75.520 40.972 -23.890 1.00 0.00 C ATOM 1509 CD1 LEU A 96 74.881 42.277 -23.438 1.00 0.00 C ATOM 1510 CD2 LEU A 96 76.259 41.166 -25.205 1.00 0.00 C ATOM 0 H LEU A 96 77.837 40.061 -20.801 1.00 0.00 H new ATOM 0 HA LEU A 96 75.273 41.035 -21.130 1.00 0.00 H new ATOM 0 HB2 LEU A 96 77.278 41.155 -22.685 1.00 0.00 H new ATOM 0 HB3 LEU A 96 76.916 39.514 -23.181 1.00 0.00 H new ATOM 0 HG LEU A 96 74.729 40.238 -24.046 1.00 0.00 H new ATOM 0 HD11 LEU A 96 74.210 42.642 -24.215 1.00 0.00 H new ATOM 0 HD12 LEU A 96 74.316 42.107 -22.521 1.00 0.00 H new ATOM 0 HD13 LEU A 96 75.659 43.018 -23.253 1.00 0.00 H new ATOM 0 HD21 LEU A 96 75.568 41.546 -25.958 1.00 0.00 H new ATOM 0 HD22 LEU A 96 77.071 41.879 -25.064 1.00 0.00 H new ATOM 0 HD23 LEU A 96 76.668 40.212 -25.537 1.00 0.00 H new ATOM 1522 N SER A 97 75.462 37.775 -21.650 1.00 0.00 N ATOM 1523 CA SER A 97 74.666 36.557 -21.748 1.00 0.00 C ATOM 1524 C SER A 97 73.682 36.456 -20.587 1.00 0.00 C ATOM 1525 O SER A 97 72.495 36.194 -20.785 1.00 0.00 O ATOM 1526 CB SER A 97 75.577 35.328 -21.768 1.00 0.00 C ATOM 1527 OG SER A 97 74.820 34.132 -21.696 1.00 0.00 O ATOM 0 H SER A 97 76.470 37.623 -21.674 1.00 0.00 H new ATOM 0 HA SER A 97 74.100 36.596 -22.679 1.00 0.00 H new ATOM 0 HB2 SER A 97 76.175 35.329 -22.679 1.00 0.00 H new ATOM 0 HB3 SER A 97 76.273 35.373 -20.930 1.00 0.00 H new ATOM 0 HG SER A 97 75.424 33.361 -21.712 1.00 0.00 H new ATOM 1533 N HIS A 98 74.184 36.667 -19.374 1.00 0.00 N ATOM 1534 CA HIS A 98 73.350 36.600 -18.179 1.00 0.00 C ATOM 1535 C HIS A 98 72.249 37.656 -18.226 1.00 0.00 C ATOM 1536 O HIS A 98 71.088 37.372 -17.929 1.00 0.00 O ATOM 1537 CB HIS A 98 74.202 36.790 -16.925 1.00 0.00 C ATOM 1538 CG HIS A 98 73.531 36.329 -15.668 1.00 0.00 C ATOM 1539 ND1 HIS A 98 72.236 36.671 -15.338 1.00 0.00 N ATOM 1540 CD2 HIS A 98 73.981 35.547 -14.659 1.00 0.00 C ATOM 1541 CE1 HIS A 98 71.920 36.120 -14.180 1.00 0.00 C ATOM 1542 NE2 HIS A 98 72.961 35.433 -13.747 1.00 0.00 N ATOM 0 H HIS A 98 75.164 36.886 -19.193 1.00 0.00 H new ATOM 0 HA HIS A 98 72.884 35.615 -18.146 1.00 0.00 H new ATOM 0 HB2 HIS A 98 75.139 36.247 -17.047 1.00 0.00 H new ATOM 0 HB3 HIS A 98 74.456 37.845 -16.825 1.00 0.00 H new ATOM 0 HD2 HIS A 98 74.960 35.097 -14.585 1.00 0.00 H new ATOM 0 HE1 HIS A 98 70.971 36.215 -13.673 1.00 0.00 H new ATOM 0 HE2 HIS A 98 73.001 34.903 -12.876 1.00 0.00 H new ATOM 1550 N LEU A 99 72.622 38.875 -18.599 1.00 0.00 N ATOM 1551 CA LEU A 99 71.667 39.975 -18.684 1.00 0.00 C ATOM 1552 C LEU A 99 70.610 39.697 -19.748 1.00 0.00 C ATOM 1553 O LEU A 99 69.489 40.199 -19.670 1.00 0.00 O ATOM 1554 CB LEU A 99 72.393 41.284 -19.000 1.00 0.00 C ATOM 1555 CG LEU A 99 72.343 42.358 -17.912 1.00 0.00 C ATOM 1556 CD1 LEU A 99 72.952 41.836 -16.619 1.00 0.00 C ATOM 1557 CD2 LEU A 99 73.063 43.617 -18.373 1.00 0.00 C ATOM 0 H LEU A 99 73.579 39.127 -18.847 1.00 0.00 H new ATOM 0 HA LEU A 99 71.169 40.067 -17.719 1.00 0.00 H new ATOM 0 HB2 LEU A 99 73.438 41.055 -19.209 1.00 0.00 H new ATOM 0 HB3 LEU A 99 71.969 41.700 -19.914 1.00 0.00 H new ATOM 0 HG LEU A 99 71.299 42.609 -17.723 1.00 0.00 H new ATOM 0 HD11 LEU A 99 72.908 42.613 -15.856 1.00 0.00 H new ATOM 0 HD12 LEU A 99 72.394 40.963 -16.280 1.00 0.00 H new ATOM 0 HD13 LEU A 99 73.991 41.557 -16.793 1.00 0.00 H new ATOM 0 HD21 LEU A 99 73.018 44.371 -17.587 1.00 0.00 H new ATOM 0 HD22 LEU A 99 74.105 43.381 -18.590 1.00 0.00 H new ATOM 0 HD23 LEU A 99 72.583 44.002 -19.273 1.00 0.00 H new ATOM 1569 N SER A 100 70.974 38.893 -20.742 1.00 0.00 N ATOM 1570 CA SER A 100 70.058 38.549 -21.823 1.00 0.00 C ATOM 1571 C SER A 100 69.214 37.333 -21.453 1.00 0.00 C ATOM 1572 O SER A 100 68.100 37.163 -21.949 1.00 0.00 O ATOM 1573 CB SER A 100 70.836 38.272 -23.110 1.00 0.00 C ATOM 1574 OG SER A 100 69.966 37.882 -24.158 1.00 0.00 O ATOM 0 H SER A 100 71.898 38.467 -20.821 1.00 0.00 H new ATOM 0 HA SER A 100 69.392 39.396 -21.985 1.00 0.00 H new ATOM 0 HB2 SER A 100 71.388 39.165 -23.404 1.00 0.00 H new ATOM 0 HB3 SER A 100 71.571 37.487 -22.932 1.00 0.00 H new ATOM 0 HG SER A 100 70.488 37.712 -24.970 1.00 0.00 H new ATOM 1580 N TYR A 101 69.753 36.490 -20.580 1.00 0.00 N ATOM 1581 CA TYR A 101 69.052 35.288 -20.145 1.00 0.00 C ATOM 1582 C TYR A 101 67.783 35.645 -19.377 1.00 0.00 C ATOM 1583 O TYR A 101 66.796 34.909 -19.408 1.00 0.00 O ATOM 1584 CB TYR A 101 69.966 34.428 -19.271 1.00 0.00 C ATOM 1585 CG TYR A 101 69.268 33.236 -18.655 1.00 0.00 C ATOM 1586 CD1 TYR A 101 68.597 33.349 -17.443 1.00 0.00 C ATOM 1587 CD2 TYR A 101 69.280 31.997 -19.283 1.00 0.00 C ATOM 1588 CE1 TYR A 101 67.958 32.263 -16.876 1.00 0.00 C ATOM 1589 CE2 TYR A 101 68.643 30.906 -18.725 1.00 0.00 C ATOM 1590 CZ TYR A 101 67.984 31.044 -17.521 1.00 0.00 C ATOM 1591 OH TYR A 101 67.349 29.960 -16.960 1.00 0.00 O ATOM 0 H TYR A 101 70.674 36.617 -20.159 1.00 0.00 H new ATOM 0 HA TYR A 101 68.770 34.721 -21.032 1.00 0.00 H new ATOM 0 HB2 TYR A 101 70.805 34.077 -19.872 1.00 0.00 H new ATOM 0 HB3 TYR A 101 70.381 35.047 -18.475 1.00 0.00 H new ATOM 0 HD1 TYR A 101 68.575 34.302 -16.936 1.00 0.00 H new ATOM 0 HD2 TYR A 101 69.797 31.885 -20.225 1.00 0.00 H new ATOM 0 HE1 TYR A 101 67.441 32.368 -15.933 1.00 0.00 H new ATOM 0 HE2 TYR A 101 68.661 29.951 -19.228 1.00 0.00 H new ATOM 0 HH TYR A 101 67.461 29.179 -17.541 1.00 0.00 H new ATOM 1601 N LEU A 102 67.816 36.780 -18.688 1.00 0.00 N ATOM 1602 CA LEU A 102 66.669 37.238 -17.911 1.00 0.00 C ATOM 1603 C LEU A 102 65.535 37.687 -18.827 1.00 0.00 C ATOM 1604 O LEU A 102 64.367 37.389 -18.578 1.00 0.00 O ATOM 1605 CB LEU A 102 67.079 38.387 -16.988 1.00 0.00 C ATOM 1606 CG LEU A 102 68.334 38.155 -16.146 1.00 0.00 C ATOM 1607 CD1 LEU A 102 68.989 39.481 -15.788 1.00 0.00 C ATOM 1608 CD2 LEU A 102 67.995 37.370 -14.887 1.00 0.00 C ATOM 0 H LEU A 102 68.625 37.401 -18.651 1.00 0.00 H new ATOM 0 HA LEU A 102 66.314 36.403 -17.307 1.00 0.00 H new ATOM 0 HB2 LEU A 102 67.233 39.278 -17.596 1.00 0.00 H new ATOM 0 HB3 LEU A 102 66.248 38.600 -16.315 1.00 0.00 H new ATOM 0 HG LEU A 102 69.040 37.571 -16.736 1.00 0.00 H new ATOM 0 HD11 LEU A 102 69.881 39.296 -15.189 1.00 0.00 H new ATOM 0 HD12 LEU A 102 69.268 40.007 -16.701 1.00 0.00 H new ATOM 0 HD13 LEU A 102 68.288 40.091 -15.218 1.00 0.00 H new ATOM 0 HD21 LEU A 102 68.900 37.214 -14.300 1.00 0.00 H new ATOM 0 HD22 LEU A 102 67.270 37.928 -14.294 1.00 0.00 H new ATOM 0 HD23 LEU A 102 67.571 36.404 -15.163 1.00 0.00 H new