USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=20 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 61:sc= -0.386 USER MOD Set 1.2: A 91 ASN : amide:sc= -0.748 K(o=-1.1,f=-5.2!) USER MOD Set 2.1: A 65 SER OG : rot -44:sc= 0.218 USER MOD Set 2.2: A 68 GLN : amide:sc= -0.582 K(o=-0.36,f=-1.6) USER MOD Set 3.1: A 57 TYR OH : rot 130:sc= 0 USER MOD Set 3.2: A 98 HIS : +bothHN:sc= 0.173 K(o=0.17,f=-2.4!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.187 USER MOD Single : A 43 GLN : amide:sc= -0.17 K(o=-0.17,f=-1.6!) USER MOD Single : A 45 HIS : no HD1:sc= -3.99! C(o=-4!,f=-6.6!) USER MOD Single : A 48 GLN :FLIP amide:sc= 1.05 F(o=-0.17,f=1.1) 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 153:sc= -0.105 (180deg=-0.594) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.00668 USER MOD Single : A 69 ASN : amide:sc= -0.0451 K(o=-0.045,f=-0.83) USER MOD Single : A 70 MET CE :methyl -170:sc= -0.0017 (180deg=-0.208) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 CYS SG : rot -24:sc= 0.156 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl -155:sc= -0.413 (180deg=-1.54!) USER MOD Single : A 79 ASN :FLIP amide:sc= 0.724 F(o=0,f=0.72) 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 58:sc= 1.22 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 66.120 38.141 -5.954 1.00 0.00 N ATOM 460 CA ILE A 33 67.319 38.114 -6.783 1.00 0.00 C ATOM 461 C ILE A 33 67.205 39.091 -7.948 1.00 0.00 C ATOM 462 O ILE A 33 68.198 39.671 -8.385 1.00 0.00 O ATOM 463 CB ILE A 33 67.589 36.702 -7.335 1.00 0.00 C ATOM 464 CG1 ILE A 33 68.910 36.677 -8.107 1.00 0.00 C ATOM 465 CG2 ILE A 33 66.441 36.253 -8.226 1.00 0.00 C ATOM 466 CD1 ILE A 33 69.591 35.326 -8.095 1.00 0.00 C ATOM 0 HA ILE A 33 68.151 38.411 -6.145 1.00 0.00 H new ATOM 0 HB ILE A 33 67.666 36.009 -6.497 1.00 0.00 H new ATOM 0 HG12 ILE A 33 68.724 36.972 -9.140 1.00 0.00 H new ATOM 0 HG13 ILE A 33 69.585 37.419 -7.680 1.00 0.00 H new ATOM 0 HG21 ILE A 33 66.647 35.253 -8.608 1.00 0.00 H new ATOM 0 HG22 ILE A 33 65.517 36.237 -7.648 1.00 0.00 H new ATOM 0 HG23 ILE A 33 66.336 36.946 -9.061 1.00 0.00 H new ATOM 0 HD11 ILE A 33 70.521 35.382 -8.661 1.00 0.00 H new ATOM 0 HD12 ILE A 33 69.809 35.038 -7.067 1.00 0.00 H new ATOM 0 HD13 ILE A 33 68.934 34.584 -8.549 1.00 0.00 H new ATOM 478 N VAL A 34 65.985 39.269 -8.447 1.00 0.00 N ATOM 479 CA VAL A 34 65.740 40.177 -9.560 1.00 0.00 C ATOM 480 C VAL A 34 64.302 40.685 -9.548 1.00 0.00 C ATOM 481 O VAL A 34 63.355 39.937 -9.307 1.00 0.00 O ATOM 482 CB VAL A 34 66.020 39.497 -10.913 1.00 0.00 C ATOM 483 CG1 VAL A 34 65.089 40.038 -11.987 1.00 0.00 C ATOM 484 CG2 VAL A 34 67.476 39.686 -11.312 1.00 0.00 C ATOM 0 H VAL A 34 65.152 38.796 -8.097 1.00 0.00 H new ATOM 0 HA VAL A 34 66.422 41.018 -9.437 1.00 0.00 H new ATOM 0 HB VAL A 34 65.831 38.429 -10.809 1.00 0.00 H new ATOM 0 HG11 VAL A 34 65.302 39.545 -12.936 1.00 0.00 H new ATOM 0 HG12 VAL A 34 64.055 39.845 -11.703 1.00 0.00 H new ATOM 0 HG13 VAL A 34 65.242 41.112 -12.094 1.00 0.00 H new ATOM 0 HG21 VAL A 34 67.657 39.199 -12.270 1.00 0.00 H new ATOM 0 HG22 VAL A 34 67.694 40.750 -11.399 1.00 0.00 H new ATOM 0 HG23 VAL A 34 68.122 39.244 -10.553 1.00 0.00 H new ATOM 494 N PRO A 35 64.133 41.989 -9.813 1.00 0.00 N ATOM 495 CA PRO A 35 62.814 42.627 -9.840 1.00 0.00 C ATOM 496 C PRO A 35 61.975 42.175 -11.031 1.00 0.00 C ATOM 497 O PRO A 35 60.809 41.814 -10.879 1.00 0.00 O ATOM 498 CB PRO A 35 63.143 44.118 -9.953 1.00 0.00 C ATOM 499 CG PRO A 35 64.486 44.162 -10.594 1.00 0.00 C ATOM 500 CD PRO A 35 65.217 42.941 -10.109 1.00 0.00 C ATOM 0 HA PRO A 35 62.221 42.373 -8.962 1.00 0.00 H new ATOM 0 HB2 PRO A 35 62.400 44.643 -10.554 1.00 0.00 H new ATOM 0 HB3 PRO A 35 63.156 44.596 -8.973 1.00 0.00 H new ATOM 0 HG2 PRO A 35 64.400 44.159 -11.681 1.00 0.00 H new ATOM 0 HG3 PRO A 35 65.020 45.071 -10.319 1.00 0.00 H new ATOM 0 HD2 PRO A 35 65.897 42.552 -10.867 1.00 0.00 H new ATOM 0 HD3 PRO A 35 65.816 43.156 -9.224 1.00 0.00 H new ATOM 508 N ALA A 36 62.578 42.198 -12.215 1.00 0.00 N ATOM 509 CA ALA A 36 61.887 41.788 -13.432 1.00 0.00 C ATOM 510 C ALA A 36 62.812 41.867 -14.641 1.00 0.00 C ATOM 511 O ALA A 36 63.282 40.845 -15.143 1.00 0.00 O ATOM 512 CB ALA A 36 60.652 42.649 -13.653 1.00 0.00 C ATOM 0 H ALA A 36 63.543 42.496 -12.358 1.00 0.00 H new ATOM 0 HA ALA A 36 61.576 40.750 -13.312 1.00 0.00 H new ATOM 0 HB1 ALA A 36 60.146 42.332 -14.565 1.00 0.00 H new ATOM 0 HB2 ALA A 36 59.975 42.539 -12.806 1.00 0.00 H new ATOM 0 HB3 ALA A 36 60.949 43.694 -13.747 1.00 0.00 H new ATOM 518 N ASP A 37 63.069 43.085 -15.106 1.00 0.00 N ATOM 519 CA ASP A 37 63.939 43.296 -16.257 1.00 0.00 C ATOM 520 C ASP A 37 65.168 44.112 -15.867 1.00 0.00 C ATOM 521 O ASP A 37 65.189 44.798 -14.845 1.00 0.00 O ATOM 522 CB ASP A 37 63.175 44.005 -17.376 1.00 0.00 C ATOM 523 CG ASP A 37 62.563 43.033 -18.366 1.00 0.00 C ATOM 524 OD1 ASP A 37 63.209 42.006 -18.666 1.00 0.00 O ATOM 525 OD2 ASP A 37 61.439 43.298 -18.840 1.00 0.00 O ATOM 0 H ASP A 37 62.687 43.941 -14.703 1.00 0.00 H new ATOM 0 HA ASP A 37 64.271 42.321 -16.615 1.00 0.00 H new ATOM 0 HB2 ASP A 37 62.387 44.620 -16.941 1.00 0.00 H new ATOM 0 HB3 ASP A 37 63.851 44.679 -17.903 1.00 0.00 H new ATOM 530 N PRO A 38 66.217 44.035 -16.699 1.00 0.00 N ATOM 531 CA PRO A 38 67.469 44.759 -16.462 1.00 0.00 C ATOM 532 C PRO A 38 67.311 46.265 -16.642 1.00 0.00 C ATOM 533 O PRO A 38 68.167 47.045 -16.221 1.00 0.00 O ATOM 534 CB PRO A 38 68.415 44.190 -17.523 1.00 0.00 C ATOM 535 CG PRO A 38 67.517 43.712 -18.612 1.00 0.00 C ATOM 536 CD PRO A 38 66.262 43.237 -17.936 1.00 0.00 C ATOM 0 HA PRO A 38 67.826 44.631 -15.440 1.00 0.00 H new ATOM 0 HB2 PRO A 38 69.107 44.950 -17.885 1.00 0.00 H new ATOM 0 HB3 PRO A 38 69.018 43.376 -17.121 1.00 0.00 H new ATOM 0 HG2 PRO A 38 67.300 44.513 -19.319 1.00 0.00 H new ATOM 0 HG3 PRO A 38 67.985 42.906 -19.178 1.00 0.00 H new ATOM 0 HD2 PRO A 38 65.382 43.408 -18.556 1.00 0.00 H new ATOM 0 HD3 PRO A 38 66.300 42.169 -17.724 1.00 0.00 H new ATOM 544 N THR A 39 66.211 46.670 -17.270 1.00 0.00 N ATOM 545 CA THR A 39 65.941 48.082 -17.506 1.00 0.00 C ATOM 546 C THR A 39 65.425 48.762 -16.243 1.00 0.00 C ATOM 547 O THR A 39 65.719 49.931 -15.990 1.00 0.00 O ATOM 548 CB THR A 39 64.914 48.276 -18.637 1.00 0.00 C ATOM 549 OG1 THR A 39 63.693 47.602 -18.311 1.00 0.00 O ATOM 550 CG2 THR A 39 65.455 47.747 -19.956 1.00 0.00 C ATOM 0 H THR A 39 65.492 46.039 -17.624 1.00 0.00 H new ATOM 0 HA THR A 39 66.885 48.539 -17.801 1.00 0.00 H new ATOM 0 HB THR A 39 64.722 49.344 -18.744 1.00 0.00 H new ATOM 0 HG1 THR A 39 63.045 47.732 -19.034 1.00 0.00 H new ATOM 0 HG21 THR A 39 64.712 47.895 -20.740 1.00 0.00 H new ATOM 0 HG22 THR A 39 66.368 48.283 -20.216 1.00 0.00 H new ATOM 0 HG23 THR A 39 65.673 46.683 -19.859 1.00 0.00 H new ATOM 558 N LEU A 40 64.654 48.024 -15.452 1.00 0.00 N ATOM 559 CA LEU A 40 64.097 48.555 -14.214 1.00 0.00 C ATOM 560 C LEU A 40 64.893 48.071 -13.006 1.00 0.00 C ATOM 561 O LEU A 40 64.325 47.564 -12.039 1.00 0.00 O ATOM 562 CB LEU A 40 62.631 48.141 -14.072 1.00 0.00 C ATOM 563 CG LEU A 40 61.736 48.417 -15.280 1.00 0.00 C ATOM 564 CD1 LEU A 40 60.321 47.924 -15.019 1.00 0.00 C ATOM 565 CD2 LEU A 40 61.732 49.902 -15.613 1.00 0.00 C ATOM 0 H LEU A 40 64.400 47.055 -15.647 1.00 0.00 H new ATOM 0 HA LEU A 40 64.159 49.642 -14.254 1.00 0.00 H new ATOM 0 HB2 LEU A 40 62.595 47.073 -13.855 1.00 0.00 H new ATOM 0 HB3 LEU A 40 62.211 48.656 -13.208 1.00 0.00 H new ATOM 0 HG LEU A 40 62.136 47.874 -16.136 1.00 0.00 H new ATOM 0 HD11 LEU A 40 59.698 48.129 -15.890 1.00 0.00 H new ATOM 0 HD12 LEU A 40 60.339 46.851 -14.830 1.00 0.00 H new ATOM 0 HD13 LEU A 40 59.911 48.439 -14.150 1.00 0.00 H new ATOM 0 HD21 LEU A 40 61.090 50.080 -16.476 1.00 0.00 H new ATOM 0 HD22 LEU A 40 61.357 50.465 -14.759 1.00 0.00 H new ATOM 0 HD23 LEU A 40 62.747 50.226 -15.844 1.00 0.00 H new ATOM 577 N TRP A 41 66.210 48.233 -13.069 1.00 0.00 N ATOM 578 CA TRP A 41 67.084 47.815 -11.979 1.00 0.00 C ATOM 579 C TRP A 41 67.474 49.003 -11.107 1.00 0.00 C ATOM 580 O TRP A 41 67.342 50.157 -11.516 1.00 0.00 O ATOM 581 CB TRP A 41 68.340 47.141 -12.536 1.00 0.00 C ATOM 582 CG TRP A 41 68.248 45.646 -12.566 1.00 0.00 C ATOM 583 CD1 TRP A 41 67.110 44.896 -12.662 1.00 0.00 C ATOM 584 CD2 TRP A 41 69.337 44.719 -12.499 1.00 0.00 C ATOM 585 NE1 TRP A 41 67.427 43.559 -12.658 1.00 0.00 N ATOM 586 CE2 TRP A 41 68.786 43.424 -12.559 1.00 0.00 C ATOM 587 CE3 TRP A 41 70.724 44.856 -12.395 1.00 0.00 C ATOM 588 CZ2 TRP A 41 69.575 42.277 -12.518 1.00 0.00 C ATOM 589 CZ3 TRP A 41 71.505 43.717 -12.354 1.00 0.00 C ATOM 590 CH2 TRP A 41 70.929 42.441 -12.416 1.00 0.00 C ATOM 0 H TRP A 41 66.696 48.651 -13.863 1.00 0.00 H new ATOM 0 HA TRP A 41 66.539 47.100 -11.363 1.00 0.00 H new ATOM 0 HB2 TRP A 41 68.522 47.507 -13.546 1.00 0.00 H new ATOM 0 HB3 TRP A 41 69.199 47.433 -11.931 1.00 0.00 H new ATOM 0 HD1 TRP A 41 66.109 45.295 -12.731 1.00 0.00 H new ATOM 0 HE1 TRP A 41 66.758 42.791 -12.719 1.00 0.00 H new ATOM 0 HE3 TRP A 41 71.177 45.835 -12.348 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 69.133 41.293 -12.565 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 72.578 43.812 -12.273 1.00 0.00 H new ATOM 0 HH2 TRP A 41 71.567 41.570 -12.383 1.00 0.00 H new ATOM 601 N THR A 42 67.954 48.714 -9.901 1.00 0.00 N ATOM 602 CA THR A 42 68.361 49.759 -8.971 1.00 0.00 C ATOM 603 C THR A 42 69.832 49.618 -8.595 1.00 0.00 C ATOM 604 O THR A 42 70.467 48.610 -8.905 1.00 0.00 O ATOM 605 CB THR A 42 67.511 49.731 -7.687 1.00 0.00 C ATOM 606 OG1 THR A 42 67.828 50.859 -6.864 1.00 0.00 O ATOM 607 CG2 THR A 42 67.749 48.446 -6.908 1.00 0.00 C ATOM 0 H THR A 42 68.070 47.765 -9.546 1.00 0.00 H new ATOM 0 HA THR A 42 68.208 50.711 -9.479 1.00 0.00 H new ATOM 0 HB THR A 42 66.460 49.775 -7.973 1.00 0.00 H new ATOM 0 HG1 THR A 42 67.282 50.834 -6.051 1.00 0.00 H new ATOM 0 HG21 THR A 42 67.138 48.449 -6.005 1.00 0.00 H new ATOM 0 HG22 THR A 42 67.478 47.590 -7.526 1.00 0.00 H new ATOM 0 HG23 THR A 42 68.802 48.377 -6.633 1.00 0.00 H new ATOM 615 N GLN A 43 70.368 50.635 -7.927 1.00 0.00 N ATOM 616 CA GLN A 43 71.765 50.623 -7.510 1.00 0.00 C ATOM 617 C GLN A 43 72.066 49.398 -6.652 1.00 0.00 C ATOM 618 O GLN A 43 73.202 48.927 -6.606 1.00 0.00 O ATOM 619 CB GLN A 43 72.098 51.898 -6.734 1.00 0.00 C ATOM 620 CG GLN A 43 71.420 51.978 -5.375 1.00 0.00 C ATOM 621 CD GLN A 43 71.185 53.406 -4.924 1.00 0.00 C ATOM 622 OE1 GLN A 43 70.998 54.306 -5.743 1.00 0.00 O ATOM 623 NE2 GLN A 43 71.193 53.622 -3.614 1.00 0.00 N ATOM 0 H GLN A 43 69.856 51.477 -7.663 1.00 0.00 H new ATOM 0 HA GLN A 43 72.385 50.578 -8.405 1.00 0.00 H new ATOM 0 HB2 GLN A 43 73.178 51.958 -6.596 1.00 0.00 H new ATOM 0 HB3 GLN A 43 71.804 52.763 -7.329 1.00 0.00 H new ATOM 0 HG2 GLN A 43 70.466 51.453 -5.418 1.00 0.00 H new ATOM 0 HG3 GLN A 43 72.034 51.464 -4.636 1.00 0.00 H new ATOM 0 HE21 GLN A 43 71.352 52.847 -2.970 1.00 0.00 H new ATOM 0 HE22 GLN A 43 71.040 54.563 -3.251 1.00 0.00 H new ATOM 632 N GLU A 44 71.042 48.889 -5.975 1.00 0.00 N ATOM 633 CA GLU A 44 71.199 47.719 -5.119 1.00 0.00 C ATOM 634 C GLU A 44 71.303 46.445 -5.952 1.00 0.00 C ATOM 635 O GLU A 44 71.896 45.455 -5.521 1.00 0.00 O ATOM 636 CB GLU A 44 70.023 47.611 -4.146 1.00 0.00 C ATOM 637 CG GLU A 44 70.389 46.970 -2.818 1.00 0.00 C ATOM 638 CD GLU A 44 69.175 46.483 -2.050 1.00 0.00 C ATOM 639 OE1 GLU A 44 68.155 46.162 -2.695 1.00 0.00 O ATOM 640 OE2 GLU A 44 69.246 46.424 -0.805 1.00 0.00 O ATOM 0 H GLU A 44 70.095 49.268 -6.002 1.00 0.00 H new ATOM 0 HA GLU A 44 72.122 47.837 -4.551 1.00 0.00 H new ATOM 0 HB2 GLU A 44 69.623 48.608 -3.961 1.00 0.00 H new ATOM 0 HB3 GLU A 44 69.228 47.030 -4.613 1.00 0.00 H new ATOM 0 HG2 GLU A 44 71.061 46.131 -2.997 1.00 0.00 H new ATOM 0 HG3 GLU A 44 70.934 47.691 -2.209 1.00 0.00 H new ATOM 647 N HIS A 45 70.724 46.477 -7.148 1.00 0.00 N ATOM 648 CA HIS A 45 70.751 45.325 -8.042 1.00 0.00 C ATOM 649 C HIS A 45 71.982 45.367 -8.943 1.00 0.00 C ATOM 650 O HIS A 45 72.470 44.330 -9.393 1.00 0.00 O ATOM 651 CB HIS A 45 69.482 45.283 -8.893 1.00 0.00 C ATOM 652 CG HIS A 45 68.275 44.808 -8.145 1.00 0.00 C ATOM 653 ND1 HIS A 45 67.135 45.571 -7.993 1.00 0.00 N ATOM 654 CD2 HIS A 45 68.032 43.640 -7.506 1.00 0.00 C ATOM 655 CE1 HIS A 45 66.245 44.892 -7.291 1.00 0.00 C ATOM 656 NE2 HIS A 45 66.764 43.717 -6.984 1.00 0.00 N ATOM 0 H HIS A 45 70.230 47.288 -7.520 1.00 0.00 H new ATOM 0 HA HIS A 45 70.799 44.423 -7.432 1.00 0.00 H new ATOM 0 HB2 HIS A 45 69.286 46.280 -9.287 1.00 0.00 H new ATOM 0 HB3 HIS A 45 69.650 44.629 -9.749 1.00 0.00 H new ATOM 0 HD2 HIS A 45 68.709 42.803 -7.422 1.00 0.00 H new ATOM 0 HE1 HIS A 45 65.260 45.239 -7.015 1.00 0.00 H new ATOM 0 HE2 HIS A 45 66.299 42.986 -6.447 1.00 0.00 H new ATOM 664 N VAL A 46 72.477 46.572 -9.205 1.00 0.00 N ATOM 665 CA VAL A 46 73.650 46.749 -10.053 1.00 0.00 C ATOM 666 C VAL A 46 74.924 46.342 -9.320 1.00 0.00 C ATOM 667 O VAL A 46 75.894 45.904 -9.938 1.00 0.00 O ATOM 668 CB VAL A 46 73.787 48.209 -10.524 1.00 0.00 C ATOM 669 CG1 VAL A 46 74.995 48.366 -11.435 1.00 0.00 C ATOM 670 CG2 VAL A 46 72.517 48.663 -11.228 1.00 0.00 C ATOM 0 H VAL A 46 72.084 47.441 -8.842 1.00 0.00 H new ATOM 0 HA VAL A 46 73.512 46.106 -10.922 1.00 0.00 H new ATOM 0 HB VAL A 46 73.937 48.841 -9.649 1.00 0.00 H new ATOM 0 HG11 VAL A 46 75.075 49.404 -11.757 1.00 0.00 H new ATOM 0 HG12 VAL A 46 75.898 48.083 -10.894 1.00 0.00 H new ATOM 0 HG13 VAL A 46 74.879 47.723 -12.307 1.00 0.00 H new ATOM 0 HG21 VAL A 46 72.631 49.697 -11.554 1.00 0.00 H new ATOM 0 HG22 VAL A 46 72.334 48.027 -12.094 1.00 0.00 H new ATOM 0 HG23 VAL A 46 71.674 48.591 -10.541 1.00 0.00 H new ATOM 680 N ARG A 47 74.913 46.489 -8.000 1.00 0.00 N ATOM 681 CA ARG A 47 76.068 46.137 -7.182 1.00 0.00 C ATOM 682 C ARG A 47 76.003 44.676 -6.749 1.00 0.00 C ATOM 683 O ARG A 47 76.973 43.932 -6.894 1.00 0.00 O ATOM 684 CB ARG A 47 76.143 47.042 -5.951 1.00 0.00 C ATOM 685 CG ARG A 47 77.564 47.333 -5.495 1.00 0.00 C ATOM 686 CD ARG A 47 77.596 47.835 -4.060 1.00 0.00 C ATOM 687 NE ARG A 47 78.819 47.437 -3.368 1.00 0.00 N ATOM 688 CZ ARG A 47 79.984 48.057 -3.521 1.00 0.00 C ATOM 689 NH1 ARG A 47 80.083 49.098 -4.336 1.00 0.00 N ATOM 690 NH2 ARG A 47 81.053 47.636 -2.857 1.00 0.00 N ATOM 0 H ARG A 47 74.117 46.849 -7.473 1.00 0.00 H new ATOM 0 HA ARG A 47 76.965 46.280 -7.785 1.00 0.00 H new ATOM 0 HB2 ARG A 47 75.641 47.984 -6.172 1.00 0.00 H new ATOM 0 HB3 ARG A 47 75.596 46.574 -5.132 1.00 0.00 H new ATOM 0 HG2 ARG A 47 78.167 46.429 -5.579 1.00 0.00 H new ATOM 0 HG3 ARG A 47 78.013 48.078 -6.152 1.00 0.00 H new ATOM 0 HD2 ARG A 47 77.514 48.922 -4.054 1.00 0.00 H new ATOM 0 HD3 ARG A 47 76.732 47.447 -3.521 1.00 0.00 H new ATOM 0 HE ARG A 47 78.776 46.640 -2.733 1.00 0.00 H new ATOM 0 HH11 ARG A 47 79.263 49.425 -4.848 1.00 0.00 H new ATOM 0 HH12 ARG A 47 80.979 49.572 -4.451 1.00 0.00 H new ATOM 0 HH21 ARG A 47 80.981 46.836 -2.229 1.00 0.00 H new ATOM 0 HH22 ARG A 47 81.947 48.113 -2.975 1.00 0.00 H new ATOM 704 N GLN A 48 74.854 44.272 -6.217 1.00 0.00 N ATOM 705 CA GLN A 48 74.663 42.900 -5.762 1.00 0.00 C ATOM 706 C GLN A 48 74.935 41.910 -6.890 1.00 0.00 C ATOM 707 O GLN A 48 75.678 40.944 -6.715 1.00 0.00 O ATOM 708 CB GLN A 48 73.241 42.709 -5.232 1.00 0.00 C ATOM 709 CG GLN A 48 73.021 43.310 -3.853 1.00 0.00 C ATOM 710 CD GLN A 48 71.598 43.134 -3.361 1.00 0.00 C ATOM 711 OE1 GLN A 48 71.427 42.327 -2.320 1.00 0.00 O flip ATOM 712 NE2 GLN A 48 70.662 43.716 -3.910 1.00 0.00 N flip ATOM 0 H GLN A 48 74.041 44.875 -6.090 1.00 0.00 H new ATOM 0 HA GLN A 48 75.372 42.709 -4.956 1.00 0.00 H new ATOM 0 HB2 GLN A 48 72.537 43.159 -5.932 1.00 0.00 H new ATOM 0 HB3 GLN A 48 73.016 41.643 -5.195 1.00 0.00 H new ATOM 0 HG2 GLN A 48 73.707 42.845 -3.145 1.00 0.00 H new ATOM 0 HG3 GLN A 48 73.263 44.372 -3.881 1.00 0.00 H new ATOM 0 HE21 GLN A 48 70.839 44.327 -4.707 1.00 0.00 H new ATOM 0 HE22 GLN A 48 69.710 43.587 -3.567 1.00 0.00 H new ATOM 721 N TRP A 49 74.329 42.156 -8.046 1.00 0.00 N ATOM 722 CA TRP A 49 74.506 41.285 -9.202 1.00 0.00 C ATOM 723 C TRP A 49 75.986 41.064 -9.495 1.00 0.00 C ATOM 724 O TRP A 49 76.418 39.937 -9.742 1.00 0.00 O ATOM 725 CB TRP A 49 73.814 41.884 -10.428 1.00 0.00 C ATOM 726 CG TRP A 49 74.096 41.134 -11.694 1.00 0.00 C ATOM 727 CD1 TRP A 49 73.696 39.865 -12.001 1.00 0.00 C ATOM 728 CD2 TRP A 49 74.840 41.606 -12.823 1.00 0.00 C ATOM 729 NE1 TRP A 49 74.147 39.519 -13.252 1.00 0.00 N ATOM 730 CE2 TRP A 49 74.850 40.571 -13.778 1.00 0.00 C ATOM 731 CE3 TRP A 49 75.496 42.803 -13.120 1.00 0.00 C ATOM 732 CZ2 TRP A 49 75.493 40.698 -15.007 1.00 0.00 C ATOM 733 CZ3 TRP A 49 76.133 42.928 -14.340 1.00 0.00 C ATOM 734 CH2 TRP A 49 76.127 41.881 -15.271 1.00 0.00 C ATOM 0 H TRP A 49 73.711 42.951 -8.208 1.00 0.00 H new ATOM 0 HA TRP A 49 74.052 40.321 -8.973 1.00 0.00 H new ATOM 0 HB2 TRP A 49 72.738 41.902 -10.257 1.00 0.00 H new ATOM 0 HB3 TRP A 49 74.135 42.919 -10.548 1.00 0.00 H new ATOM 0 HD1 TRP A 49 73.111 39.227 -11.355 1.00 0.00 H new ATOM 0 HE1 TRP A 49 73.985 38.624 -13.714 1.00 0.00 H new ATOM 0 HE3 TRP A 49 75.505 43.616 -12.409 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 75.491 39.892 -15.725 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 76.644 43.849 -14.580 1.00 0.00 H new ATOM 0 HH2 TRP A 49 76.633 42.011 -16.216 1.00 0.00 H new ATOM 745 N LEU A 50 76.758 42.144 -9.467 1.00 0.00 N ATOM 746 CA LEU A 50 78.191 42.067 -9.730 1.00 0.00 C ATOM 747 C LEU A 50 78.889 41.194 -8.692 1.00 0.00 C ATOM 748 O LEU A 50 79.600 40.251 -9.038 1.00 0.00 O ATOM 749 CB LEU A 50 78.805 43.468 -9.731 1.00 0.00 C ATOM 750 CG LEU A 50 80.051 43.654 -10.598 1.00 0.00 C ATOM 751 CD1 LEU A 50 79.663 43.836 -12.057 1.00 0.00 C ATOM 752 CD2 LEU A 50 80.868 44.842 -10.109 1.00 0.00 C ATOM 0 H LEU A 50 76.416 43.084 -9.265 1.00 0.00 H new ATOM 0 HA LEU A 50 78.332 41.615 -10.712 1.00 0.00 H new ATOM 0 HB2 LEU A 50 78.046 44.175 -10.065 1.00 0.00 H new ATOM 0 HB3 LEU A 50 79.058 43.733 -8.704 1.00 0.00 H new ATOM 0 HG LEU A 50 80.665 42.757 -10.516 1.00 0.00 H new ATOM 0 HD11 LEU A 50 80.562 43.967 -12.659 1.00 0.00 H new ATOM 0 HD12 LEU A 50 79.121 42.956 -12.402 1.00 0.00 H new ATOM 0 HD13 LEU A 50 79.028 44.716 -12.158 1.00 0.00 H new ATOM 0 HD21 LEU A 50 81.751 44.960 -10.737 1.00 0.00 H new ATOM 0 HD22 LEU A 50 80.262 45.747 -10.161 1.00 0.00 H new ATOM 0 HD23 LEU A 50 81.177 44.671 -9.078 1.00 0.00 H new ATOM 764 N GLU A 51 78.678 41.514 -7.419 1.00 0.00 N ATOM 765 CA GLU A 51 79.286 40.757 -6.331 1.00 0.00 C ATOM 766 C GLU A 51 78.896 39.284 -6.409 1.00 0.00 C ATOM 767 O GLU A 51 79.682 38.403 -6.058 1.00 0.00 O ATOM 768 CB GLU A 51 78.865 41.337 -4.979 1.00 0.00 C ATOM 769 CG GLU A 51 79.523 42.668 -4.656 1.00 0.00 C ATOM 770 CD GLU A 51 79.228 43.137 -3.245 1.00 0.00 C ATOM 771 OE1 GLU A 51 78.057 43.047 -2.821 1.00 0.00 O ATOM 772 OE2 GLU A 51 80.170 43.594 -2.563 1.00 0.00 O ATOM 0 H GLU A 51 78.091 42.291 -7.116 1.00 0.00 H new ATOM 0 HA GLU A 51 80.369 40.834 -6.430 1.00 0.00 H new ATOM 0 HB2 GLU A 51 77.783 41.465 -4.969 1.00 0.00 H new ATOM 0 HB3 GLU A 51 79.109 40.621 -4.194 1.00 0.00 H new ATOM 0 HG2 GLU A 51 80.601 42.577 -4.787 1.00 0.00 H new ATOM 0 HG3 GLU A 51 79.178 43.421 -5.365 1.00 0.00 H new ATOM 779 N TRP A 52 77.678 39.024 -6.870 1.00 0.00 N ATOM 780 CA TRP A 52 77.183 37.658 -6.993 1.00 0.00 C ATOM 781 C TRP A 52 77.846 36.942 -8.164 1.00 0.00 C ATOM 782 O TRP A 52 78.260 35.789 -8.045 1.00 0.00 O ATOM 783 CB TRP A 52 75.664 37.659 -7.173 1.00 0.00 C ATOM 784 CG TRP A 52 75.082 36.285 -7.313 1.00 0.00 C ATOM 785 CD1 TRP A 52 74.611 35.488 -6.309 1.00 0.00 C ATOM 786 CD2 TRP A 52 74.911 35.546 -8.528 1.00 0.00 C ATOM 787 NE1 TRP A 52 74.157 34.298 -6.826 1.00 0.00 N ATOM 788 CE2 TRP A 52 74.329 34.309 -8.185 1.00 0.00 C ATOM 789 CE3 TRP A 52 75.190 35.809 -9.871 1.00 0.00 C ATOM 790 CZ2 TRP A 52 74.025 33.341 -9.138 1.00 0.00 C ATOM 791 CZ3 TRP A 52 74.888 34.847 -10.816 1.00 0.00 C ATOM 792 CH2 TRP A 52 74.309 33.625 -10.446 1.00 0.00 C ATOM 0 H TRP A 52 77.015 39.741 -7.165 1.00 0.00 H new ATOM 0 HA TRP A 52 77.433 37.123 -6.077 1.00 0.00 H new ATOM 0 HB2 TRP A 52 75.204 38.155 -6.318 1.00 0.00 H new ATOM 0 HB3 TRP A 52 75.410 38.245 -8.056 1.00 0.00 H new ATOM 0 HD1 TRP A 52 74.597 35.754 -5.262 1.00 0.00 H new ATOM 0 HE1 TRP A 52 73.757 33.531 -6.285 1.00 0.00 H new ATOM 0 HE3 TRP A 52 75.634 36.748 -10.166 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 73.580 32.398 -8.855 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 75.102 35.040 -11.857 1.00 0.00 H new ATOM 0 HH2 TRP A 52 74.083 32.894 -11.208 1.00 0.00 H new ATOM 803 N ALA A 53 77.944 37.632 -9.296 1.00 0.00 N ATOM 804 CA ALA A 53 78.559 37.062 -10.488 1.00 0.00 C ATOM 805 C ALA A 53 80.031 36.746 -10.248 1.00 0.00 C ATOM 806 O ALA A 53 80.486 35.630 -10.502 1.00 0.00 O ATOM 807 CB ALA A 53 78.407 38.012 -11.666 1.00 0.00 C ATOM 0 H ALA A 53 77.605 38.587 -9.412 1.00 0.00 H new ATOM 0 HA ALA A 53 78.047 36.128 -10.720 1.00 0.00 H new ATOM 0 HB1 ALA A 53 78.871 37.573 -12.549 1.00 0.00 H new ATOM 0 HB2 ALA A 53 77.348 38.185 -11.860 1.00 0.00 H new ATOM 0 HB3 ALA A 53 78.893 38.960 -11.434 1.00 0.00 H new ATOM 813 N ILE A 54 80.772 37.735 -9.757 1.00 0.00 N ATOM 814 CA ILE A 54 82.193 37.561 -9.483 1.00 0.00 C ATOM 815 C ILE A 54 82.430 36.389 -8.537 1.00 0.00 C ATOM 816 O ILE A 54 83.499 35.777 -8.544 1.00 0.00 O ATOM 817 CB ILE A 54 82.808 38.833 -8.871 1.00 0.00 C ATOM 818 CG1 ILE A 54 82.615 40.023 -9.813 1.00 0.00 C ATOM 819 CG2 ILE A 54 84.285 38.618 -8.576 1.00 0.00 C ATOM 820 CD1 ILE A 54 82.883 41.361 -9.160 1.00 0.00 C ATOM 0 H ILE A 54 80.411 38.664 -9.541 1.00 0.00 H new ATOM 0 HA ILE A 54 82.677 37.357 -10.438 1.00 0.00 H new ATOM 0 HB ILE A 54 82.298 39.050 -7.932 1.00 0.00 H new ATOM 0 HG12 ILE A 54 83.277 39.908 -10.671 1.00 0.00 H new ATOM 0 HG13 ILE A 54 81.594 40.012 -10.194 1.00 0.00 H new ATOM 0 HG21 ILE A 54 84.706 39.526 -8.144 1.00 0.00 H new ATOM 0 HG22 ILE A 54 84.399 37.794 -7.872 1.00 0.00 H new ATOM 0 HG23 ILE A 54 84.810 38.380 -9.501 1.00 0.00 H new ATOM 0 HD11 ILE A 54 82.727 42.158 -9.887 1.00 0.00 H new ATOM 0 HD12 ILE A 54 82.203 41.498 -8.319 1.00 0.00 H new ATOM 0 HD13 ILE A 54 83.912 41.392 -8.803 1.00 0.00 H new ATOM 832 N LYS A 55 81.427 36.080 -7.723 1.00 0.00 N ATOM 833 CA LYS A 55 81.524 34.979 -6.771 1.00 0.00 C ATOM 834 C LYS A 55 81.158 33.654 -7.433 1.00 0.00 C ATOM 835 O LYS A 55 81.993 32.758 -7.550 1.00 0.00 O ATOM 836 CB LYS A 55 80.607 35.233 -5.572 1.00 0.00 C ATOM 837 CG LYS A 55 81.338 35.761 -4.350 1.00 0.00 C ATOM 838 CD LYS A 55 82.025 34.643 -3.584 1.00 0.00 C ATOM 839 CE LYS A 55 83.535 34.694 -3.759 1.00 0.00 C ATOM 840 NZ LYS A 55 84.187 33.428 -3.323 1.00 0.00 N ATOM 0 H LYS A 55 80.536 36.577 -7.703 1.00 0.00 H new ATOM 0 HA LYS A 55 82.556 34.919 -6.425 1.00 0.00 H new ATOM 0 HB2 LYS A 55 79.835 35.947 -5.860 1.00 0.00 H new ATOM 0 HB3 LYS A 55 80.100 34.304 -5.309 1.00 0.00 H new ATOM 0 HG2 LYS A 55 82.078 36.500 -4.659 1.00 0.00 H new ATOM 0 HG3 LYS A 55 80.632 36.271 -3.695 1.00 0.00 H new ATOM 0 HD2 LYS A 55 81.777 34.720 -2.525 1.00 0.00 H new ATOM 0 HD3 LYS A 55 81.650 33.680 -3.930 1.00 0.00 H new ATOM 0 HE2 LYS A 55 83.773 34.883 -4.806 1.00 0.00 H new ATOM 0 HE3 LYS A 55 83.939 35.527 -3.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 85.215 33.503 -3.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 83.981 33.260 -2.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 83.820 32.636 -3.889 1.00 0.00 H new ATOM 854 N GLU A 56 79.906 33.539 -7.865 1.00 0.00 N ATOM 855 CA GLU A 56 79.432 32.324 -8.515 1.00 0.00 C ATOM 856 C GLU A 56 80.349 31.931 -9.670 1.00 0.00 C ATOM 857 O GLU A 56 80.999 30.886 -9.633 1.00 0.00 O ATOM 858 CB GLU A 56 78.003 32.517 -9.028 1.00 0.00 C ATOM 859 CG GLU A 56 77.277 31.213 -9.313 1.00 0.00 C ATOM 860 CD GLU A 56 77.171 30.324 -8.090 1.00 0.00 C ATOM 861 OE1 GLU A 56 76.407 30.676 -7.166 1.00 0.00 O ATOM 862 OE2 GLU A 56 77.851 29.277 -8.055 1.00 0.00 O ATOM 0 H GLU A 56 79.203 34.272 -7.776 1.00 0.00 H new ATOM 0 HA GLU A 56 79.441 31.522 -7.777 1.00 0.00 H new ATOM 0 HB2 GLU A 56 77.435 33.086 -8.291 1.00 0.00 H new ATOM 0 HB3 GLU A 56 78.031 33.114 -9.939 1.00 0.00 H new ATOM 0 HG2 GLU A 56 76.276 31.433 -9.685 1.00 0.00 H new ATOM 0 HG3 GLU A 56 77.801 30.676 -10.104 1.00 0.00 H new ATOM 869 N TYR A 57 80.396 32.776 -10.694 1.00 0.00 N ATOM 870 CA TYR A 57 81.230 32.517 -11.861 1.00 0.00 C ATOM 871 C TYR A 57 82.704 32.443 -11.471 1.00 0.00 C ATOM 872 O TYR A 57 83.502 31.787 -12.141 1.00 0.00 O ATOM 873 CB TYR A 57 81.024 33.607 -12.914 1.00 0.00 C ATOM 874 CG TYR A 57 79.653 33.583 -13.550 1.00 0.00 C ATOM 875 CD1 TYR A 57 79.384 32.760 -14.638 1.00 0.00 C ATOM 876 CD2 TYR A 57 78.625 34.382 -13.064 1.00 0.00 C ATOM 877 CE1 TYR A 57 78.133 32.735 -15.223 1.00 0.00 C ATOM 878 CE2 TYR A 57 77.371 34.362 -13.642 1.00 0.00 C ATOM 879 CZ TYR A 57 77.130 33.537 -14.721 1.00 0.00 C ATOM 880 OH TYR A 57 75.882 33.516 -15.300 1.00 0.00 O ATOM 0 H TYR A 57 79.866 33.646 -10.739 1.00 0.00 H new ATOM 0 HA TYR A 57 80.935 31.556 -12.281 1.00 0.00 H new ATOM 0 HB2 TYR A 57 81.184 34.581 -12.452 1.00 0.00 H new ATOM 0 HB3 TYR A 57 81.779 33.495 -13.693 1.00 0.00 H new ATOM 0 HD1 TYR A 57 80.167 32.129 -15.033 1.00 0.00 H new ATOM 0 HD2 TYR A 57 78.810 35.030 -12.220 1.00 0.00 H new ATOM 0 HE1 TYR A 57 77.942 32.091 -16.069 1.00 0.00 H new ATOM 0 HE2 TYR A 57 76.583 34.989 -13.251 1.00 0.00 H new ATOM 0 HH TYR A 57 75.201 33.394 -14.606 1.00 0.00 H new ATOM 890 N SER A 58 83.056 33.120 -10.383 1.00 0.00 N ATOM 891 CA SER A 58 84.434 33.135 -9.905 1.00 0.00 C ATOM 892 C SER A 58 85.358 33.783 -10.931 1.00 0.00 C ATOM 893 O SER A 58 86.279 33.146 -11.445 1.00 0.00 O ATOM 894 CB SER A 58 84.906 31.711 -9.603 1.00 0.00 C ATOM 895 OG SER A 58 86.117 31.721 -8.868 1.00 0.00 O ATOM 0 H SER A 58 82.407 33.665 -9.816 1.00 0.00 H new ATOM 0 HA SER A 58 84.469 33.724 -8.988 1.00 0.00 H new ATOM 0 HB2 SER A 58 84.138 31.182 -9.038 1.00 0.00 H new ATOM 0 HB3 SER A 58 85.048 31.166 -10.536 1.00 0.00 H new ATOM 0 HG SER A 58 86.397 30.800 -8.686 1.00 0.00 H new ATOM 901 N LEU A 59 85.107 35.054 -11.225 1.00 0.00 N ATOM 902 CA LEU A 59 85.915 35.791 -12.190 1.00 0.00 C ATOM 903 C LEU A 59 87.176 36.343 -11.533 1.00 0.00 C ATOM 904 O LEU A 59 87.495 36.003 -10.394 1.00 0.00 O ATOM 905 CB LEU A 59 85.102 36.933 -12.800 1.00 0.00 C ATOM 906 CG LEU A 59 83.699 36.571 -13.289 1.00 0.00 C ATOM 907 CD1 LEU A 59 82.853 37.823 -13.459 1.00 0.00 C ATOM 908 CD2 LEU A 59 83.773 35.794 -14.596 1.00 0.00 C ATOM 0 H LEU A 59 84.350 35.596 -10.809 1.00 0.00 H new ATOM 0 HA LEU A 59 86.211 35.102 -12.981 1.00 0.00 H new ATOM 0 HB2 LEU A 59 85.013 37.726 -12.058 1.00 0.00 H new ATOM 0 HB3 LEU A 59 85.663 37.344 -13.639 1.00 0.00 H new ATOM 0 HG LEU A 59 83.227 35.937 -12.539 1.00 0.00 H new ATOM 0 HD11 LEU A 59 81.858 37.545 -13.808 1.00 0.00 H new ATOM 0 HD12 LEU A 59 82.771 38.340 -12.503 1.00 0.00 H new ATOM 0 HD13 LEU A 59 83.322 38.483 -14.189 1.00 0.00 H new ATOM 0 HD21 LEU A 59 82.765 35.545 -14.929 1.00 0.00 H new ATOM 0 HD22 LEU A 59 84.265 36.403 -15.354 1.00 0.00 H new ATOM 0 HD23 LEU A 59 84.341 34.877 -14.442 1.00 0.00 H new ATOM 920 N MET A 60 87.889 37.199 -12.259 1.00 0.00 N ATOM 921 CA MET A 60 89.113 37.802 -11.746 1.00 0.00 C ATOM 922 C MET A 60 89.433 39.097 -12.486 1.00 0.00 C ATOM 923 O MET A 60 89.318 39.167 -13.709 1.00 0.00 O ATOM 924 CB MET A 60 90.282 36.824 -11.876 1.00 0.00 C ATOM 925 CG MET A 60 90.576 36.415 -13.310 1.00 0.00 C ATOM 926 SD MET A 60 91.154 34.713 -13.442 1.00 0.00 S ATOM 927 CE MET A 60 89.675 33.815 -12.980 1.00 0.00 C ATOM 0 H MET A 60 87.640 37.490 -13.204 1.00 0.00 H new ATOM 0 HA MET A 60 88.960 38.035 -10.692 1.00 0.00 H new ATOM 0 HB2 MET A 60 91.175 37.279 -11.446 1.00 0.00 H new ATOM 0 HB3 MET A 60 90.065 35.931 -11.289 1.00 0.00 H new ATOM 0 HG2 MET A 60 89.674 36.536 -13.910 1.00 0.00 H new ATOM 0 HG3 MET A 60 91.329 37.084 -13.727 1.00 0.00 H new ATOM 0 HE1 MET A 60 89.687 32.830 -13.447 1.00 0.00 H new ATOM 0 HE2 MET A 60 89.641 33.702 -11.896 1.00 0.00 H new ATOM 0 HE3 MET A 60 88.796 34.365 -13.315 1.00 0.00 H new ATOM 937 N GLU A 61 89.836 40.118 -11.736 1.00 0.00 N ATOM 938 CA GLU A 61 90.172 41.410 -12.323 1.00 0.00 C ATOM 939 C GLU A 61 88.983 41.986 -13.087 1.00 0.00 C ATOM 940 O GLU A 61 88.786 41.689 -14.265 1.00 0.00 O ATOM 941 CB GLU A 61 91.375 41.273 -13.258 1.00 0.00 C ATOM 942 CG GLU A 61 92.569 40.586 -12.617 1.00 0.00 C ATOM 943 CD GLU A 61 93.847 40.778 -13.411 1.00 0.00 C ATOM 944 OE1 GLU A 61 94.057 41.892 -13.936 1.00 0.00 O ATOM 945 OE2 GLU A 61 94.636 39.815 -13.507 1.00 0.00 O ATOM 0 H GLU A 61 89.938 40.076 -10.722 1.00 0.00 H new ATOM 0 HA GLU A 61 90.427 42.093 -11.513 1.00 0.00 H new ATOM 0 HB2 GLU A 61 91.075 40.711 -14.142 1.00 0.00 H new ATOM 0 HB3 GLU A 61 91.676 42.264 -13.597 1.00 0.00 H new ATOM 0 HG2 GLU A 61 92.710 40.976 -11.609 1.00 0.00 H new ATOM 0 HG3 GLU A 61 92.362 39.520 -12.521 1.00 0.00 H new ATOM 952 N ILE A 62 88.193 42.810 -12.406 1.00 0.00 N ATOM 953 CA ILE A 62 87.024 43.428 -13.020 1.00 0.00 C ATOM 954 C ILE A 62 86.715 44.777 -12.379 1.00 0.00 C ATOM 955 O ILE A 62 86.761 44.920 -11.157 1.00 0.00 O ATOM 956 CB ILE A 62 85.784 42.522 -12.906 1.00 0.00 C ATOM 957 CG1 ILE A 62 84.629 43.096 -13.729 1.00 0.00 C ATOM 958 CG2 ILE A 62 85.376 42.364 -11.449 1.00 0.00 C ATOM 959 CD1 ILE A 62 83.495 42.118 -13.943 1.00 0.00 C ATOM 0 H ILE A 62 88.341 43.065 -11.430 1.00 0.00 H new ATOM 0 HA ILE A 62 87.261 43.575 -14.074 1.00 0.00 H new ATOM 0 HB ILE A 62 86.034 41.538 -13.302 1.00 0.00 H new ATOM 0 HG12 ILE A 62 84.243 43.984 -13.228 1.00 0.00 H new ATOM 0 HG13 ILE A 62 85.009 43.417 -14.699 1.00 0.00 H new ATOM 0 HG21 ILE A 62 84.498 41.721 -11.385 1.00 0.00 H new ATOM 0 HG22 ILE A 62 86.196 41.916 -10.888 1.00 0.00 H new ATOM 0 HG23 ILE A 62 85.141 43.342 -11.029 1.00 0.00 H new ATOM 0 HD11 ILE A 62 82.712 42.593 -14.534 1.00 0.00 H new ATOM 0 HD12 ILE A 62 83.867 41.240 -14.471 1.00 0.00 H new ATOM 0 HD13 ILE A 62 83.088 41.816 -12.978 1.00 0.00 H new ATOM 971 N ASP A 63 86.399 45.762 -13.212 1.00 0.00 N ATOM 972 CA ASP A 63 86.079 47.100 -12.728 1.00 0.00 C ATOM 973 C ASP A 63 84.818 47.080 -11.869 1.00 0.00 C ATOM 974 O ASP A 63 83.811 46.476 -12.240 1.00 0.00 O ATOM 975 CB ASP A 63 85.896 48.061 -13.903 1.00 0.00 C ATOM 976 CG ASP A 63 87.080 48.991 -14.080 1.00 0.00 C ATOM 977 OD1 ASP A 63 88.205 48.598 -13.707 1.00 0.00 O ATOM 978 OD2 ASP A 63 86.882 50.112 -14.594 1.00 0.00 O ATOM 0 H ASP A 63 86.357 45.659 -14.226 1.00 0.00 H new ATOM 0 HA ASP A 63 86.910 47.445 -12.113 1.00 0.00 H new ATOM 0 HB2 ASP A 63 85.748 47.487 -14.818 1.00 0.00 H new ATOM 0 HB3 ASP A 63 84.993 48.652 -13.748 1.00 0.00 H new ATOM 983 N THR A 64 84.880 47.743 -10.719 1.00 0.00 N ATOM 984 CA THR A 64 83.745 47.800 -9.807 1.00 0.00 C ATOM 985 C THR A 64 83.162 49.207 -9.741 1.00 0.00 C ATOM 986 O THR A 64 81.950 49.381 -9.618 1.00 0.00 O ATOM 987 CB THR A 64 84.142 47.354 -8.387 1.00 0.00 C ATOM 988 OG1 THR A 64 85.558 47.483 -8.211 1.00 0.00 O ATOM 989 CG2 THR A 64 83.725 45.913 -8.135 1.00 0.00 C ATOM 0 H THR A 64 85.705 48.249 -10.397 1.00 0.00 H new ATOM 0 HA THR A 64 82.992 47.116 -10.198 1.00 0.00 H new ATOM 0 HB THR A 64 83.627 47.995 -7.672 1.00 0.00 H new ATOM 0 HG1 THR A 64 85.802 47.199 -7.305 1.00 0.00 H new ATOM 0 HG21 THR A 64 84.016 45.621 -7.126 1.00 0.00 H new ATOM 0 HG22 THR A 64 82.644 45.823 -8.241 1.00 0.00 H new ATOM 0 HG23 THR A 64 84.216 45.261 -8.857 1.00 0.00 H new ATOM 997 N SER A 65 84.032 50.207 -9.825 1.00 0.00 N ATOM 998 CA SER A 65 83.603 51.600 -9.771 1.00 0.00 C ATOM 999 C SER A 65 82.581 51.896 -10.865 1.00 0.00 C ATOM 1000 O SER A 65 81.748 52.792 -10.726 1.00 0.00 O ATOM 1001 CB SER A 65 84.807 52.533 -9.918 1.00 0.00 C ATOM 1002 OG SER A 65 85.258 52.987 -8.653 1.00 0.00 O ATOM 0 H SER A 65 85.038 50.079 -9.931 1.00 0.00 H new ATOM 0 HA SER A 65 83.134 51.773 -8.802 1.00 0.00 H new ATOM 0 HB2 SER A 65 85.615 52.011 -10.430 1.00 0.00 H new ATOM 0 HB3 SER A 65 84.536 53.387 -10.539 1.00 0.00 H new ATOM 0 HG SER A 65 84.488 53.245 -8.105 1.00 0.00 H new ATOM 1008 N PHE A 66 82.650 51.135 -11.952 1.00 0.00 N ATOM 1009 CA PHE A 66 81.732 51.315 -13.071 1.00 0.00 C ATOM 1010 C PHE A 66 80.332 50.827 -12.709 1.00 0.00 C ATOM 1011 O PHE A 66 79.337 51.303 -13.255 1.00 0.00 O ATOM 1012 CB PHE A 66 82.243 50.566 -14.303 1.00 0.00 C ATOM 1013 CG PHE A 66 82.307 51.417 -15.539 1.00 0.00 C ATOM 1014 CD1 PHE A 66 83.063 52.578 -15.558 1.00 0.00 C ATOM 1015 CD2 PHE A 66 81.611 51.057 -16.681 1.00 0.00 C ATOM 1016 CE1 PHE A 66 83.123 53.364 -16.693 1.00 0.00 C ATOM 1017 CE2 PHE A 66 81.667 51.838 -17.820 1.00 0.00 C ATOM 1018 CZ PHE A 66 82.425 52.993 -17.826 1.00 0.00 C ATOM 0 H PHE A 66 83.332 50.388 -12.082 1.00 0.00 H new ATOM 0 HA PHE A 66 81.679 52.380 -13.298 1.00 0.00 H new ATOM 0 HB2 PHE A 66 83.237 50.171 -14.092 1.00 0.00 H new ATOM 0 HB3 PHE A 66 81.594 49.711 -14.493 1.00 0.00 H new ATOM 0 HD1 PHE A 66 83.612 52.872 -14.676 1.00 0.00 H new ATOM 0 HD2 PHE A 66 81.017 50.155 -16.682 1.00 0.00 H new ATOM 0 HE1 PHE A 66 83.715 54.267 -16.694 1.00 0.00 H new ATOM 0 HE2 PHE A 66 81.119 51.546 -18.704 1.00 0.00 H new ATOM 0 HZ PHE A 66 82.472 53.605 -18.715 1.00 0.00 H new ATOM 1028 N PHE A 67 80.264 49.875 -11.785 1.00 0.00 N ATOM 1029 CA PHE A 67 78.988 49.321 -11.350 1.00 0.00 C ATOM 1030 C PHE A 67 78.701 49.689 -9.898 1.00 0.00 C ATOM 1031 O PHE A 67 77.982 48.978 -9.197 1.00 0.00 O ATOM 1032 CB PHE A 67 78.986 47.799 -11.512 1.00 0.00 C ATOM 1033 CG PHE A 67 79.488 47.338 -12.850 1.00 0.00 C ATOM 1034 CD1 PHE A 67 78.674 47.401 -13.970 1.00 0.00 C ATOM 1035 CD2 PHE A 67 80.775 46.842 -12.989 1.00 0.00 C ATOM 1036 CE1 PHE A 67 79.133 46.978 -15.203 1.00 0.00 C ATOM 1037 CE2 PHE A 67 81.239 46.418 -14.220 1.00 0.00 C ATOM 1038 CZ PHE A 67 80.417 46.485 -15.328 1.00 0.00 C ATOM 0 H PHE A 67 81.078 49.471 -11.323 1.00 0.00 H new ATOM 0 HA PHE A 67 78.204 49.747 -11.976 1.00 0.00 H new ATOM 0 HB2 PHE A 67 79.603 47.358 -10.730 1.00 0.00 H new ATOM 0 HB3 PHE A 67 77.972 47.427 -11.366 1.00 0.00 H new ATOM 0 HD1 PHE A 67 77.669 47.785 -13.878 1.00 0.00 H new ATOM 0 HD2 PHE A 67 81.422 46.786 -12.126 1.00 0.00 H new ATOM 0 HE1 PHE A 67 78.488 47.033 -16.068 1.00 0.00 H new ATOM 0 HE2 PHE A 67 82.244 46.034 -14.315 1.00 0.00 H new ATOM 0 HZ PHE A 67 80.778 46.153 -16.290 1.00 0.00 H new ATOM 1048 N GLN A 68 79.269 50.806 -9.453 1.00 0.00 N ATOM 1049 CA GLN A 68 79.075 51.268 -8.084 1.00 0.00 C ATOM 1050 C GLN A 68 77.799 52.096 -7.964 1.00 0.00 C ATOM 1051 O GLN A 68 77.146 52.099 -6.922 1.00 0.00 O ATOM 1052 CB GLN A 68 80.278 52.096 -7.628 1.00 0.00 C ATOM 1053 CG GLN A 68 80.336 53.481 -8.251 1.00 0.00 C ATOM 1054 CD GLN A 68 81.718 54.099 -8.174 1.00 0.00 C ATOM 1055 OE1 GLN A 68 82.537 53.714 -7.339 1.00 0.00 O ATOM 1056 NE2 GLN A 68 81.985 55.062 -9.048 1.00 0.00 N ATOM 0 H GLN A 68 79.867 51.407 -10.021 1.00 0.00 H new ATOM 0 HA GLN A 68 78.980 50.392 -7.442 1.00 0.00 H new ATOM 0 HB2 GLN A 68 80.249 52.196 -6.543 1.00 0.00 H new ATOM 0 HB3 GLN A 68 81.193 51.558 -7.874 1.00 0.00 H new ATOM 0 HG2 GLN A 68 80.028 53.419 -9.295 1.00 0.00 H new ATOM 0 HG3 GLN A 68 79.622 54.132 -7.746 1.00 0.00 H new ATOM 0 HE21 GLN A 68 81.276 55.349 -9.723 1.00 0.00 H new ATOM 0 HE22 GLN A 68 82.899 55.514 -9.045 1.00 0.00 H new ATOM 1065 N ASN A 69 77.452 52.797 -9.039 1.00 0.00 N ATOM 1066 CA ASN A 69 76.254 53.629 -9.053 1.00 0.00 C ATOM 1067 C ASN A 69 75.781 53.876 -10.482 1.00 0.00 C ATOM 1068 O ASN A 69 75.421 54.997 -10.843 1.00 0.00 O ATOM 1069 CB ASN A 69 76.527 54.964 -8.357 1.00 0.00 C ATOM 1070 CG ASN A 69 75.277 55.559 -7.738 1.00 0.00 C ATOM 1071 OD1 ASN A 69 74.452 54.845 -7.168 1.00 0.00 O ATOM 1072 ND2 ASN A 69 75.131 56.875 -7.848 1.00 0.00 N ATOM 0 H ASN A 69 77.982 52.806 -9.910 1.00 0.00 H new ATOM 0 HA ASN A 69 75.468 53.100 -8.514 1.00 0.00 H new ATOM 0 HB2 ASN A 69 77.280 54.819 -7.582 1.00 0.00 H new ATOM 0 HB3 ASN A 69 76.943 55.668 -9.078 1.00 0.00 H new ATOM 0 HD21 ASN A 69 74.310 57.332 -7.451 1.00 0.00 H new ATOM 0 HD22 ASN A 69 75.840 57.428 -8.329 1.00 0.00 H new ATOM 1079 N MET A 70 75.784 52.822 -11.291 1.00 0.00 N ATOM 1080 CA MET A 70 75.352 52.924 -12.681 1.00 0.00 C ATOM 1081 C MET A 70 73.862 52.625 -12.811 1.00 0.00 C ATOM 1082 O MET A 70 73.340 51.727 -12.150 1.00 0.00 O ATOM 1083 CB MET A 70 76.156 51.963 -13.559 1.00 0.00 C ATOM 1084 CG MET A 70 75.795 52.040 -15.033 1.00 0.00 C ATOM 1085 SD MET A 70 77.235 52.291 -16.089 1.00 0.00 S ATOM 1086 CE MET A 70 77.763 50.600 -16.349 1.00 0.00 C ATOM 0 H MET A 70 76.080 51.888 -11.009 1.00 0.00 H new ATOM 0 HA MET A 70 75.530 53.946 -13.016 1.00 0.00 H new ATOM 0 HB2 MET A 70 77.218 52.179 -13.442 1.00 0.00 H new ATOM 0 HB3 MET A 70 75.997 50.944 -13.207 1.00 0.00 H new ATOM 0 HG2 MET A 70 75.289 51.121 -15.328 1.00 0.00 H new ATOM 0 HG3 MET A 70 75.089 52.856 -15.188 1.00 0.00 H new ATOM 0 HE1 MET A 70 78.740 50.594 -16.832 1.00 0.00 H new ATOM 0 HE2 MET A 70 77.830 50.088 -15.389 1.00 0.00 H new ATOM 0 HE3 MET A 70 77.041 50.087 -16.984 1.00 0.00 H new ATOM 1096 N ASP A 71 73.184 53.382 -13.666 1.00 0.00 N ATOM 1097 CA ASP A 71 71.754 53.197 -13.883 1.00 0.00 C ATOM 1098 C ASP A 71 71.474 51.853 -14.548 1.00 0.00 C ATOM 1099 O ASP A 71 72.166 51.456 -15.485 1.00 0.00 O ATOM 1100 CB ASP A 71 71.196 54.331 -14.744 1.00 0.00 C ATOM 1101 CG ASP A 71 71.782 55.680 -14.375 1.00 0.00 C ATOM 1102 OD1 ASP A 71 71.609 56.104 -13.213 1.00 0.00 O ATOM 1103 OD2 ASP A 71 72.414 56.311 -15.248 1.00 0.00 O ATOM 0 H ASP A 71 73.601 54.130 -14.220 1.00 0.00 H new ATOM 0 HA ASP A 71 71.260 53.211 -12.911 1.00 0.00 H new ATOM 0 HB2 ASP A 71 71.404 54.123 -15.793 1.00 0.00 H new ATOM 0 HB3 ASP A 71 70.112 54.367 -14.635 1.00 0.00 H new ATOM 1108 N GLY A 72 70.456 51.154 -14.055 1.00 0.00 N ATOM 1109 CA GLY A 72 70.104 49.861 -14.613 1.00 0.00 C ATOM 1110 C GLY A 72 69.912 49.911 -16.115 1.00 0.00 C ATOM 1111 O GLY A 72 70.167 48.930 -16.814 1.00 0.00 O ATOM 0 H GLY A 72 69.869 51.460 -13.279 1.00 0.00 H new ATOM 0 HA2 GLY A 72 70.886 49.140 -14.374 1.00 0.00 H new ATOM 0 HA3 GLY A 72 69.187 49.504 -14.144 1.00 0.00 H new ATOM 1115 N LYS A 73 69.461 51.056 -16.615 1.00 0.00 N ATOM 1116 CA LYS A 73 69.234 51.231 -18.045 1.00 0.00 C ATOM 1117 C LYS A 73 70.552 51.206 -18.812 1.00 0.00 C ATOM 1118 O LYS A 73 70.612 50.732 -19.946 1.00 0.00 O ATOM 1119 CB LYS A 73 68.503 52.549 -18.309 1.00 0.00 C ATOM 1120 CG LYS A 73 67.058 52.368 -18.740 1.00 0.00 C ATOM 1121 CD LYS A 73 66.603 53.493 -19.655 1.00 0.00 C ATOM 1122 CE LYS A 73 65.813 52.962 -20.841 1.00 0.00 C ATOM 1123 NZ LYS A 73 64.359 52.860 -20.538 1.00 0.00 N ATOM 0 H LYS A 73 69.245 51.878 -16.051 1.00 0.00 H new ATOM 0 HA LYS A 73 68.615 50.404 -18.393 1.00 0.00 H new ATOM 0 HB2 LYS A 73 68.530 53.157 -17.405 1.00 0.00 H new ATOM 0 HB3 LYS A 73 69.037 53.102 -19.081 1.00 0.00 H new ATOM 0 HG2 LYS A 73 66.948 51.413 -19.254 1.00 0.00 H new ATOM 0 HG3 LYS A 73 66.417 52.332 -17.859 1.00 0.00 H new ATOM 0 HD2 LYS A 73 65.988 54.195 -19.092 1.00 0.00 H new ATOM 0 HD3 LYS A 73 67.471 54.046 -20.013 1.00 0.00 H new ATOM 0 HE2 LYS A 73 65.960 53.619 -21.699 1.00 0.00 H new ATOM 0 HE3 LYS A 73 66.195 51.981 -21.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 63.856 52.494 -21.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 64.216 52.214 -19.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 63.988 53.801 -20.295 1.00 0.00 H new ATOM 1137 N GLU A 74 71.606 51.719 -18.185 1.00 0.00 N ATOM 1138 CA GLU A 74 72.924 51.754 -18.809 1.00 0.00 C ATOM 1139 C GLU A 74 73.481 50.344 -18.984 1.00 0.00 C ATOM 1140 O GLU A 74 74.129 50.040 -19.986 1.00 0.00 O ATOM 1141 CB GLU A 74 73.888 52.595 -17.971 1.00 0.00 C ATOM 1142 CG GLU A 74 74.316 53.887 -18.647 1.00 0.00 C ATOM 1143 CD GLU A 74 75.309 54.678 -17.819 1.00 0.00 C ATOM 1144 OE1 GLU A 74 74.896 55.255 -16.790 1.00 0.00 O ATOM 1145 OE2 GLU A 74 76.498 54.721 -18.198 1.00 0.00 O ATOM 0 H GLU A 74 71.573 52.116 -17.246 1.00 0.00 H new ATOM 0 HA GLU A 74 72.819 52.209 -19.794 1.00 0.00 H new ATOM 0 HB2 GLU A 74 73.415 52.833 -17.018 1.00 0.00 H new ATOM 0 HB3 GLU A 74 74.774 52.001 -17.747 1.00 0.00 H new ATOM 0 HG2 GLU A 74 74.759 53.656 -19.616 1.00 0.00 H new ATOM 0 HG3 GLU A 74 73.436 54.502 -18.837 1.00 0.00 H new ATOM 1152 N LEU A 75 73.225 49.488 -18.001 1.00 0.00 N ATOM 1153 CA LEU A 75 73.701 48.109 -18.045 1.00 0.00 C ATOM 1154 C LEU A 75 73.230 47.410 -19.316 1.00 0.00 C ATOM 1155 O LEU A 75 74.038 47.050 -20.173 1.00 0.00 O ATOM 1156 CB LEU A 75 73.211 47.341 -16.816 1.00 0.00 C ATOM 1157 CG LEU A 75 74.280 46.964 -15.790 1.00 0.00 C ATOM 1158 CD1 LEU A 75 74.911 48.212 -15.194 1.00 0.00 C ATOM 1159 CD2 LEU A 75 73.684 46.091 -14.695 1.00 0.00 C ATOM 0 H LEU A 75 72.691 49.724 -17.164 1.00 0.00 H new ATOM 0 HA LEU A 75 74.791 48.127 -18.045 1.00 0.00 H new ATOM 0 HB2 LEU A 75 72.452 47.942 -16.316 1.00 0.00 H new ATOM 0 HB3 LEU A 75 72.722 46.427 -17.154 1.00 0.00 H new ATOM 0 HG LEU A 75 75.059 46.395 -16.298 1.00 0.00 H new ATOM 0 HD11 LEU A 75 75.669 47.924 -14.466 1.00 0.00 H new ATOM 0 HD12 LEU A 75 75.374 48.800 -15.987 1.00 0.00 H new ATOM 0 HD13 LEU A 75 74.143 48.808 -14.701 1.00 0.00 H new ATOM 0 HD21 LEU A 75 74.459 45.832 -13.974 1.00 0.00 H new ATOM 0 HD22 LEU A 75 72.886 46.635 -14.190 1.00 0.00 H new ATOM 0 HD23 LEU A 75 73.280 45.180 -15.136 1.00 0.00 H new ATOM 1171 N CYS A 76 71.920 47.225 -19.433 1.00 0.00 N ATOM 1172 CA CYS A 76 71.342 46.571 -20.601 1.00 0.00 C ATOM 1173 C CYS A 76 71.741 47.294 -21.883 1.00 0.00 C ATOM 1174 O CYS A 76 71.762 46.702 -22.963 1.00 0.00 O ATOM 1175 CB CYS A 76 69.818 46.523 -20.482 1.00 0.00 C ATOM 1176 SG CYS A 76 69.015 48.137 -20.619 1.00 0.00 S ATOM 0 H CYS A 76 71.238 47.519 -18.733 1.00 0.00 H new ATOM 0 HA CYS A 76 71.729 45.553 -20.645 1.00 0.00 H new ATOM 0 HB2 CYS A 76 69.424 45.866 -21.258 1.00 0.00 H new ATOM 0 HB3 CYS A 76 69.553 46.078 -19.523 1.00 0.00 H new ATOM 0 HG CYS A 76 69.858 49.071 -20.292 1.00 0.00 H new ATOM 1182 N LYS A 77 72.057 48.578 -21.758 1.00 0.00 N ATOM 1183 CA LYS A 77 72.456 49.384 -22.905 1.00 0.00 C ATOM 1184 C LYS A 77 73.909 49.111 -23.283 1.00 0.00 C ATOM 1185 O LYS A 77 74.304 49.289 -24.435 1.00 0.00 O ATOM 1186 CB LYS A 77 72.269 50.872 -22.600 1.00 0.00 C ATOM 1187 CG LYS A 77 72.979 51.789 -23.581 1.00 0.00 C ATOM 1188 CD LYS A 77 72.300 53.146 -23.667 1.00 0.00 C ATOM 1189 CE LYS A 77 71.262 53.180 -24.778 1.00 0.00 C ATOM 1190 NZ LYS A 77 71.836 53.677 -26.059 1.00 0.00 N ATOM 0 H LYS A 77 72.044 49.084 -20.872 1.00 0.00 H new ATOM 0 HA LYS A 77 71.821 49.110 -23.748 1.00 0.00 H new ATOM 0 HB2 LYS A 77 71.204 51.104 -22.605 1.00 0.00 H new ATOM 0 HB3 LYS A 77 72.635 51.077 -21.594 1.00 0.00 H new ATOM 0 HG2 LYS A 77 74.017 51.919 -23.273 1.00 0.00 H new ATOM 0 HG3 LYS A 77 72.995 51.326 -24.568 1.00 0.00 H new ATOM 0 HD2 LYS A 77 71.823 53.376 -22.714 1.00 0.00 H new ATOM 0 HD3 LYS A 77 73.049 53.918 -23.843 1.00 0.00 H new ATOM 0 HE2 LYS A 77 70.856 52.179 -24.926 1.00 0.00 H new ATOM 0 HE3 LYS A 77 70.432 53.820 -24.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 71.097 53.685 -26.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 72.201 54.642 -25.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 72.612 53.052 -26.357 1.00 0.00 H new ATOM 1204 N MET A 78 74.698 48.677 -22.306 1.00 0.00 N ATOM 1205 CA MET A 78 76.106 48.377 -22.538 1.00 0.00 C ATOM 1206 C MET A 78 76.261 47.138 -23.414 1.00 0.00 C ATOM 1207 O MET A 78 75.721 46.077 -23.105 1.00 0.00 O ATOM 1208 CB MET A 78 76.832 48.169 -21.207 1.00 0.00 C ATOM 1209 CG MET A 78 76.983 49.443 -20.392 1.00 0.00 C ATOM 1210 SD MET A 78 78.695 50.000 -20.286 1.00 0.00 S ATOM 1211 CE MET A 78 79.472 48.567 -19.544 1.00 0.00 C ATOM 0 H MET A 78 74.387 48.525 -21.347 1.00 0.00 H new ATOM 0 HA MET A 78 76.551 49.226 -23.057 1.00 0.00 H new ATOM 0 HB2 MET A 78 76.287 47.432 -20.617 1.00 0.00 H new ATOM 0 HB3 MET A 78 77.820 47.753 -21.403 1.00 0.00 H new ATOM 0 HG2 MET A 78 76.376 50.230 -20.839 1.00 0.00 H new ATOM 0 HG3 MET A 78 76.597 49.275 -19.387 1.00 0.00 H new ATOM 0 HE1 MET A 78 80.375 48.875 -19.017 1.00 0.00 H new ATOM 0 HE2 MET A 78 78.781 48.102 -18.840 1.00 0.00 H new ATOM 0 HE3 MET A 78 79.733 47.851 -20.323 1.00 0.00 H new ATOM 1221 N ASN A 79 77.001 47.281 -24.509 1.00 0.00 N ATOM 1222 CA ASN A 79 77.226 46.172 -25.429 1.00 0.00 C ATOM 1223 C ASN A 79 78.586 45.526 -25.182 1.00 0.00 C ATOM 1224 O ASN A 79 79.276 45.855 -24.217 1.00 0.00 O ATOM 1225 CB ASN A 79 77.135 46.659 -26.877 1.00 0.00 C ATOM 1226 CG ASN A 79 76.013 47.658 -27.082 1.00 0.00 C ATOM 1227 OD1 ASN A 79 74.789 47.158 -27.201 1.00 0.00 O flip ATOM 1228 ND2 ASN A 79 76.245 48.866 -27.133 1.00 0.00 N flip ATOM 0 H ASN A 79 77.455 48.153 -24.781 1.00 0.00 H new ATOM 0 HA ASN A 79 76.453 45.424 -25.254 1.00 0.00 H new ATOM 0 HB2 ASN A 79 78.082 47.117 -27.164 1.00 0.00 H new ATOM 0 HB3 ASN A 79 76.982 45.804 -27.536 1.00 0.00 H new ATOM 0 HD21 ASN A 79 77.202 49.206 -27.037 1.00 0.00 H new ATOM 0 HD22 ASN A 79 75.480 49.527 -27.272 1.00 0.00 H new ATOM 1235 N LYS A 80 78.966 44.606 -26.062 1.00 0.00 N ATOM 1236 CA LYS A 80 80.244 43.914 -25.942 1.00 0.00 C ATOM 1237 C LYS A 80 81.400 44.908 -25.910 1.00 0.00 C ATOM 1238 O LYS A 80 82.363 44.730 -25.166 1.00 0.00 O ATOM 1239 CB LYS A 80 80.429 42.937 -27.105 1.00 0.00 C ATOM 1240 CG LYS A 80 81.243 41.707 -26.743 1.00 0.00 C ATOM 1241 CD LYS A 80 80.550 40.429 -27.186 1.00 0.00 C ATOM 1242 CE LYS A 80 81.556 39.358 -27.579 1.00 0.00 C ATOM 1243 NZ LYS A 80 81.229 38.748 -28.898 1.00 0.00 N ATOM 0 H LYS A 80 78.407 44.322 -26.867 1.00 0.00 H new ATOM 0 HA LYS A 80 80.241 43.357 -25.005 1.00 0.00 H new ATOM 0 HB2 LYS A 80 79.449 42.621 -27.463 1.00 0.00 H new ATOM 0 HB3 LYS A 80 80.917 43.456 -27.930 1.00 0.00 H new ATOM 0 HG2 LYS A 80 82.226 41.770 -27.210 1.00 0.00 H new ATOM 0 HG3 LYS A 80 81.403 41.680 -25.665 1.00 0.00 H new ATOM 0 HD2 LYS A 80 79.918 40.058 -26.379 1.00 0.00 H new ATOM 0 HD3 LYS A 80 79.895 40.643 -28.031 1.00 0.00 H new ATOM 0 HE2 LYS A 80 82.554 39.794 -27.618 1.00 0.00 H new ATOM 0 HE3 LYS A 80 81.577 38.581 -26.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 81.938 38.023 -29.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 80.287 38.310 -28.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 81.234 39.485 -29.632 1.00 0.00 H new ATOM 1257 N GLU A 81 81.296 45.956 -26.722 1.00 0.00 N ATOM 1258 CA GLU A 81 82.333 46.979 -26.785 1.00 0.00 C ATOM 1259 C GLU A 81 82.384 47.783 -25.489 1.00 0.00 C ATOM 1260 O GLU A 81 83.438 47.910 -24.866 1.00 0.00 O ATOM 1261 CB GLU A 81 82.086 47.915 -27.969 1.00 0.00 C ATOM 1262 CG GLU A 81 82.263 47.246 -29.322 1.00 0.00 C ATOM 1263 CD GLU A 81 83.145 48.047 -30.259 1.00 0.00 C ATOM 1264 OE1 GLU A 81 84.361 48.142 -29.993 1.00 0.00 O ATOM 1265 OE2 GLU A 81 82.618 48.579 -31.259 1.00 0.00 O ATOM 0 H GLU A 81 80.505 46.118 -27.345 1.00 0.00 H new ATOM 0 HA GLU A 81 83.292 46.479 -26.920 1.00 0.00 H new ATOM 0 HB2 GLU A 81 81.074 48.314 -27.900 1.00 0.00 H new ATOM 0 HB3 GLU A 81 82.768 48.762 -27.900 1.00 0.00 H new ATOM 0 HG2 GLU A 81 82.696 46.256 -29.179 1.00 0.00 H new ATOM 0 HG3 GLU A 81 81.286 47.103 -29.783 1.00 0.00 H new ATOM 1272 N ASP A 82 81.238 48.323 -25.090 1.00 0.00 N ATOM 1273 CA ASP A 82 81.151 49.115 -23.868 1.00 0.00 C ATOM 1274 C ASP A 82 81.578 48.293 -22.656 1.00 0.00 C ATOM 1275 O ASP A 82 82.096 48.832 -21.678 1.00 0.00 O ATOM 1276 CB ASP A 82 79.725 49.633 -23.671 1.00 0.00 C ATOM 1277 CG ASP A 82 79.123 50.172 -24.954 1.00 0.00 C ATOM 1278 OD1 ASP A 82 78.654 49.359 -25.777 1.00 0.00 O ATOM 1279 OD2 ASP A 82 79.121 51.408 -25.134 1.00 0.00 O ATOM 0 H ASP A 82 80.357 48.227 -25.594 1.00 0.00 H new ATOM 0 HA ASP A 82 81.828 49.964 -23.966 1.00 0.00 H new ATOM 0 HB2 ASP A 82 79.098 48.827 -23.289 1.00 0.00 H new ATOM 0 HB3 ASP A 82 79.728 50.419 -22.916 1.00 0.00 H new ATOM 1284 N PHE A 83 81.357 46.984 -22.727 1.00 0.00 N ATOM 1285 CA PHE A 83 81.718 46.087 -21.635 1.00 0.00 C ATOM 1286 C PHE A 83 83.194 45.708 -21.708 1.00 0.00 C ATOM 1287 O PHE A 83 83.823 45.419 -20.689 1.00 0.00 O ATOM 1288 CB PHE A 83 80.853 44.826 -21.677 1.00 0.00 C ATOM 1289 CG PHE A 83 79.616 44.919 -20.830 1.00 0.00 C ATOM 1290 CD1 PHE A 83 79.710 45.082 -19.458 1.00 0.00 C ATOM 1291 CD2 PHE A 83 78.358 44.843 -21.408 1.00 0.00 C ATOM 1292 CE1 PHE A 83 78.573 45.169 -18.676 1.00 0.00 C ATOM 1293 CE2 PHE A 83 77.218 44.930 -20.631 1.00 0.00 C ATOM 1294 CZ PHE A 83 77.326 45.092 -19.264 1.00 0.00 C ATOM 0 H PHE A 83 80.930 46.521 -23.529 1.00 0.00 H new ATOM 0 HA PHE A 83 81.542 46.609 -20.695 1.00 0.00 H new ATOM 0 HB2 PHE A 83 80.563 44.628 -22.709 1.00 0.00 H new ATOM 0 HB3 PHE A 83 81.448 43.976 -21.345 1.00 0.00 H new ATOM 0 HD1 PHE A 83 80.683 45.142 -18.993 1.00 0.00 H new ATOM 0 HD2 PHE A 83 78.268 44.714 -22.477 1.00 0.00 H new ATOM 0 HE1 PHE A 83 78.660 45.297 -17.607 1.00 0.00 H new ATOM 0 HE2 PHE A 83 76.244 44.871 -21.093 1.00 0.00 H new ATOM 0 HZ PHE A 83 76.436 45.158 -18.655 1.00 0.00 H new ATOM 1304 N LEU A 84 83.741 45.711 -22.919 1.00 0.00 N ATOM 1305 CA LEU A 84 85.143 45.367 -23.126 1.00 0.00 C ATOM 1306 C LEU A 84 86.058 46.362 -22.419 1.00 0.00 C ATOM 1307 O LEU A 84 87.185 46.030 -22.050 1.00 0.00 O ATOM 1308 CB LEU A 84 85.465 45.334 -24.621 1.00 0.00 C ATOM 1309 CG LEU A 84 85.414 43.959 -25.288 1.00 0.00 C ATOM 1310 CD1 LEU A 84 85.319 44.102 -26.799 1.00 0.00 C ATOM 1311 CD2 LEU A 84 86.635 43.135 -24.904 1.00 0.00 C ATOM 0 H LEU A 84 83.235 45.948 -23.772 1.00 0.00 H new ATOM 0 HA LEU A 84 85.315 44.378 -22.701 1.00 0.00 H new ATOM 0 HB2 LEU A 84 84.766 45.992 -25.137 1.00 0.00 H new ATOM 0 HB3 LEU A 84 86.462 45.750 -24.767 1.00 0.00 H new ATOM 0 HG LEU A 84 84.523 43.438 -24.936 1.00 0.00 H new ATOM 0 HD11 LEU A 84 85.284 43.113 -27.257 1.00 0.00 H new ATOM 0 HD12 LEU A 84 84.415 44.653 -27.056 1.00 0.00 H new ATOM 0 HD13 LEU A 84 86.191 44.642 -27.169 1.00 0.00 H new ATOM 0 HD21 LEU A 84 86.582 42.160 -25.387 1.00 0.00 H new ATOM 0 HD22 LEU A 84 87.539 43.652 -25.227 1.00 0.00 H new ATOM 0 HD23 LEU A 84 86.659 43.003 -23.822 1.00 0.00 H new ATOM 1323 N ARG A 85 85.565 47.582 -22.232 1.00 0.00 N ATOM 1324 CA ARG A 85 86.338 48.625 -21.568 1.00 0.00 C ATOM 1325 C ARG A 85 86.383 48.392 -20.061 1.00 0.00 C ATOM 1326 O ARG A 85 87.333 48.794 -19.389 1.00 0.00 O ATOM 1327 CB ARG A 85 85.738 50.000 -21.865 1.00 0.00 C ATOM 1328 CG ARG A 85 85.807 50.392 -23.332 1.00 0.00 C ATOM 1329 CD ARG A 85 84.902 51.576 -23.636 1.00 0.00 C ATOM 1330 NE ARG A 85 84.475 51.593 -25.032 1.00 0.00 N ATOM 1331 CZ ARG A 85 83.887 52.636 -25.607 1.00 0.00 C ATOM 1332 NH1 ARG A 85 83.658 53.741 -24.910 1.00 0.00 N ATOM 1333 NH2 ARG A 85 83.526 52.576 -26.883 1.00 0.00 N ATOM 0 H ARG A 85 84.634 47.872 -22.531 1.00 0.00 H new ATOM 0 HA ARG A 85 87.357 48.590 -21.954 1.00 0.00 H new ATOM 0 HB2 ARG A 85 84.696 50.009 -21.544 1.00 0.00 H new ATOM 0 HB3 ARG A 85 86.261 50.751 -21.272 1.00 0.00 H new ATOM 0 HG2 ARG A 85 86.835 50.642 -23.595 1.00 0.00 H new ATOM 0 HG3 ARG A 85 85.517 49.543 -23.951 1.00 0.00 H new ATOM 0 HD2 ARG A 85 84.026 51.538 -22.989 1.00 0.00 H new ATOM 0 HD3 ARG A 85 85.428 52.503 -23.406 1.00 0.00 H new ATOM 0 HE ARG A 85 84.637 50.759 -25.596 1.00 0.00 H new ATOM 0 HH11 ARG A 85 83.934 53.792 -23.929 1.00 0.00 H new ATOM 0 HH12 ARG A 85 83.206 54.540 -25.355 1.00 0.00 H new ATOM 0 HH21 ARG A 85 83.700 51.728 -27.423 1.00 0.00 H new ATOM 0 HH22 ARG A 85 83.075 53.378 -27.324 1.00 0.00 H new ATOM 1347 N ALA A 86 85.351 47.740 -19.537 1.00 0.00 N ATOM 1348 CA ALA A 86 85.274 47.452 -18.110 1.00 0.00 C ATOM 1349 C ALA A 86 85.967 46.135 -17.777 1.00 0.00 C ATOM 1350 O ALA A 86 86.662 46.025 -16.767 1.00 0.00 O ATOM 1351 CB ALA A 86 83.822 47.415 -17.656 1.00 0.00 C ATOM 0 H ALA A 86 84.556 47.401 -20.079 1.00 0.00 H new ATOM 0 HA ALA A 86 85.790 48.250 -17.576 1.00 0.00 H new ATOM 0 HB1 ALA A 86 83.780 47.199 -16.588 1.00 0.00 H new ATOM 0 HB2 ALA A 86 83.356 48.381 -17.849 1.00 0.00 H new ATOM 0 HB3 ALA A 86 83.289 46.638 -18.205 1.00 0.00 H new ATOM 1357 N THR A 87 85.774 45.137 -18.633 1.00 0.00 N ATOM 1358 CA THR A 87 86.379 43.827 -18.429 1.00 0.00 C ATOM 1359 C THR A 87 86.780 43.194 -19.757 1.00 0.00 C ATOM 1360 O THR A 87 86.475 43.723 -20.827 1.00 0.00 O ATOM 1361 CB THR A 87 85.421 42.875 -17.688 1.00 0.00 C ATOM 1362 OG1 THR A 87 86.112 41.677 -17.317 1.00 0.00 O ATOM 1363 CG2 THR A 87 84.223 42.527 -18.558 1.00 0.00 C ATOM 0 H THR A 87 85.203 45.211 -19.475 1.00 0.00 H new ATOM 0 HA THR A 87 87.269 43.981 -17.819 1.00 0.00 H new ATOM 0 HB THR A 87 85.063 43.381 -16.791 1.00 0.00 H new ATOM 0 HG1 THR A 87 86.854 41.900 -16.717 1.00 0.00 H new ATOM 0 HG21 THR A 87 83.561 41.854 -18.013 1.00 0.00 H new ATOM 0 HG22 THR A 87 83.683 43.438 -18.815 1.00 0.00 H new ATOM 0 HG23 THR A 87 84.566 42.039 -19.471 1.00 0.00 H new ATOM 1371 N THR A 88 87.464 42.056 -19.682 1.00 0.00 N ATOM 1372 CA THR A 88 87.907 41.351 -20.878 1.00 0.00 C ATOM 1373 C THR A 88 86.728 40.735 -21.622 1.00 0.00 C ATOM 1374 O THR A 88 85.602 40.724 -21.121 1.00 0.00 O ATOM 1375 CB THR A 88 88.918 40.241 -20.533 1.00 0.00 C ATOM 1376 OG1 THR A 88 88.284 39.228 -19.745 1.00 0.00 O ATOM 1377 CG2 THR A 88 90.108 40.810 -19.775 1.00 0.00 C ATOM 0 H THR A 88 87.723 41.603 -18.805 1.00 0.00 H new ATOM 0 HA THR A 88 88.392 42.088 -21.518 1.00 0.00 H new ATOM 0 HB THR A 88 89.276 39.804 -21.465 1.00 0.00 H new ATOM 0 HG1 THR A 88 88.933 38.526 -19.532 1.00 0.00 H new ATOM 0 HG21 THR A 88 90.808 40.008 -19.542 1.00 0.00 H new ATOM 0 HG22 THR A 88 90.606 41.560 -20.390 1.00 0.00 H new ATOM 0 HG23 THR A 88 89.763 41.271 -18.849 1.00 0.00 H new ATOM 1385 N LEU A 89 86.992 40.222 -22.818 1.00 0.00 N ATOM 1386 CA LEU A 89 85.951 39.603 -23.632 1.00 0.00 C ATOM 1387 C LEU A 89 85.417 38.340 -22.963 1.00 0.00 C ATOM 1388 O LEU A 89 84.212 38.085 -22.968 1.00 0.00 O ATOM 1389 CB LEU A 89 86.495 39.267 -25.021 1.00 0.00 C ATOM 1390 CG LEU A 89 85.479 39.295 -26.164 1.00 0.00 C ATOM 1391 CD1 LEU A 89 84.307 38.375 -25.859 1.00 0.00 C ATOM 1392 CD2 LEU A 89 84.994 40.716 -26.412 1.00 0.00 C ATOM 0 H LEU A 89 87.918 40.222 -23.246 1.00 0.00 H new ATOM 0 HA LEU A 89 85.131 40.314 -23.732 1.00 0.00 H new ATOM 0 HB2 LEU A 89 87.295 39.969 -25.256 1.00 0.00 H new ATOM 0 HB3 LEU A 89 86.943 38.274 -24.984 1.00 0.00 H new ATOM 0 HG LEU A 89 85.969 38.937 -27.069 1.00 0.00 H new ATOM 0 HD11 LEU A 89 83.594 38.408 -26.683 1.00 0.00 H new ATOM 0 HD12 LEU A 89 84.669 37.355 -25.733 1.00 0.00 H new ATOM 0 HD13 LEU A 89 83.817 38.702 -24.942 1.00 0.00 H new ATOM 0 HD21 LEU A 89 84.272 40.717 -27.228 1.00 0.00 H new ATOM 0 HD22 LEU A 89 84.521 41.102 -25.509 1.00 0.00 H new ATOM 0 HD23 LEU A 89 85.841 41.349 -26.676 1.00 0.00 H new ATOM 1404 N TYR A 90 86.320 37.555 -22.388 1.00 0.00 N ATOM 1405 CA TYR A 90 85.939 36.318 -21.715 1.00 0.00 C ATOM 1406 C TYR A 90 84.941 36.592 -20.595 1.00 0.00 C ATOM 1407 O TYR A 90 84.107 35.748 -20.271 1.00 0.00 O ATOM 1408 CB TYR A 90 87.177 35.619 -21.150 1.00 0.00 C ATOM 1409 CG TYR A 90 86.857 34.383 -20.340 1.00 0.00 C ATOM 1410 CD1 TYR A 90 86.574 34.472 -18.983 1.00 0.00 C ATOM 1411 CD2 TYR A 90 86.839 33.126 -20.932 1.00 0.00 C ATOM 1412 CE1 TYR A 90 86.282 33.345 -18.239 1.00 0.00 C ATOM 1413 CE2 TYR A 90 86.546 31.994 -20.196 1.00 0.00 C ATOM 1414 CZ TYR A 90 86.269 32.108 -18.850 1.00 0.00 C ATOM 1415 OH TYR A 90 85.978 30.983 -18.113 1.00 0.00 O ATOM 0 H TYR A 90 87.321 37.752 -22.374 1.00 0.00 H new ATOM 0 HA TYR A 90 85.464 35.666 -22.448 1.00 0.00 H new ATOM 0 HB2 TYR A 90 87.836 35.343 -21.973 1.00 0.00 H new ATOM 0 HB3 TYR A 90 87.727 36.322 -20.524 1.00 0.00 H new ATOM 0 HD1 TYR A 90 86.582 35.439 -18.501 1.00 0.00 H new ATOM 0 HD2 TYR A 90 87.058 33.032 -21.985 1.00 0.00 H new ATOM 0 HE1 TYR A 90 86.065 33.432 -17.185 1.00 0.00 H new ATOM 0 HE2 TYR A 90 86.534 31.025 -20.672 1.00 0.00 H new ATOM 0 HH TYR A 90 86.010 30.194 -18.694 1.00 0.00 H new ATOM 1425 N ASN A 91 85.032 37.781 -20.007 1.00 0.00 N ATOM 1426 CA ASN A 91 84.137 38.169 -18.923 1.00 0.00 C ATOM 1427 C ASN A 91 82.895 38.869 -19.466 1.00 0.00 C ATOM 1428 O ASN A 91 81.795 38.706 -18.938 1.00 0.00 O ATOM 1429 CB ASN A 91 84.863 39.086 -17.938 1.00 0.00 C ATOM 1430 CG ASN A 91 85.733 38.316 -16.963 1.00 0.00 C ATOM 1431 OD1 ASN A 91 85.666 37.089 -16.891 1.00 0.00 O ATOM 1432 ND2 ASN A 91 86.555 39.035 -16.208 1.00 0.00 N ATOM 0 H ASN A 91 85.717 38.492 -20.263 1.00 0.00 H new ATOM 0 HA ASN A 91 83.824 37.264 -18.403 1.00 0.00 H new ATOM 0 HB2 ASN A 91 85.481 39.793 -18.492 1.00 0.00 H new ATOM 0 HB3 ASN A 91 84.130 39.671 -17.383 1.00 0.00 H new ATOM 0 HD21 ASN A 91 87.165 38.572 -15.534 1.00 0.00 H new ATOM 0 HD22 ASN A 91 86.577 40.050 -16.302 1.00 0.00 H new ATOM 1439 N THR A 92 83.079 39.649 -20.527 1.00 0.00 N ATOM 1440 CA THR A 92 81.975 40.375 -21.142 1.00 0.00 C ATOM 1441 C THR A 92 80.862 39.424 -21.570 1.00 0.00 C ATOM 1442 O THR A 92 79.684 39.690 -21.338 1.00 0.00 O ATOM 1443 CB THR A 92 82.445 41.180 -22.368 1.00 0.00 C ATOM 1444 OG1 THR A 92 83.452 42.122 -21.978 1.00 0.00 O ATOM 1445 CG2 THR A 92 81.280 41.914 -23.013 1.00 0.00 C ATOM 0 H THR A 92 83.982 39.794 -20.978 1.00 0.00 H new ATOM 0 HA THR A 92 81.592 41.064 -20.389 1.00 0.00 H new ATOM 0 HB THR A 92 82.861 40.483 -23.095 1.00 0.00 H new ATOM 0 HG1 THR A 92 84.199 41.647 -21.557 1.00 0.00 H new ATOM 0 HG21 THR A 92 81.637 42.475 -23.877 1.00 0.00 H new ATOM 0 HG22 THR A 92 80.529 41.193 -23.334 1.00 0.00 H new ATOM 0 HG23 THR A 92 80.838 42.601 -22.291 1.00 0.00 H new ATOM 1453 N GLU A 93 81.246 38.315 -22.195 1.00 0.00 N ATOM 1454 CA GLU A 93 80.279 37.325 -22.655 1.00 0.00 C ATOM 1455 C GLU A 93 79.514 36.724 -21.479 1.00 0.00 C ATOM 1456 O GLU A 93 78.362 36.313 -21.618 1.00 0.00 O ATOM 1457 CB GLU A 93 80.985 36.216 -23.439 1.00 0.00 C ATOM 1458 CG GLU A 93 81.748 36.720 -24.652 1.00 0.00 C ATOM 1459 CD GLU A 93 81.670 35.765 -25.828 1.00 0.00 C ATOM 1460 OE1 GLU A 93 80.556 35.554 -26.349 1.00 0.00 O ATOM 1461 OE2 GLU A 93 82.726 35.230 -26.227 1.00 0.00 O ATOM 0 H GLU A 93 82.218 38.080 -22.394 1.00 0.00 H new ATOM 0 HA GLU A 93 79.567 37.827 -23.310 1.00 0.00 H new ATOM 0 HB2 GLU A 93 81.676 35.697 -22.775 1.00 0.00 H new ATOM 0 HB3 GLU A 93 80.245 35.485 -23.764 1.00 0.00 H new ATOM 0 HG2 GLU A 93 81.350 37.690 -24.950 1.00 0.00 H new ATOM 0 HG3 GLU A 93 82.793 36.873 -24.382 1.00 0.00 H new ATOM 1468 N VAL A 94 80.164 36.676 -20.321 1.00 0.00 N ATOM 1469 CA VAL A 94 79.547 36.127 -19.120 1.00 0.00 C ATOM 1470 C VAL A 94 78.539 37.103 -18.524 1.00 0.00 C ATOM 1471 O VAL A 94 77.599 36.700 -17.837 1.00 0.00 O ATOM 1472 CB VAL A 94 80.603 35.781 -18.053 1.00 0.00 C ATOM 1473 CG1 VAL A 94 79.940 35.205 -16.812 1.00 0.00 C ATOM 1474 CG2 VAL A 94 81.632 34.813 -18.617 1.00 0.00 C ATOM 0 H VAL A 94 81.118 37.011 -20.189 1.00 0.00 H new ATOM 0 HA VAL A 94 79.031 35.214 -19.419 1.00 0.00 H new ATOM 0 HB VAL A 94 81.119 36.697 -17.767 1.00 0.00 H new ATOM 0 HG11 VAL A 94 80.702 34.967 -16.070 1.00 0.00 H new ATOM 0 HG12 VAL A 94 79.246 35.936 -16.398 1.00 0.00 H new ATOM 0 HG13 VAL A 94 79.396 34.298 -17.078 1.00 0.00 H new ATOM 0 HG21 VAL A 94 82.370 34.579 -17.850 1.00 0.00 H new ATOM 0 HG22 VAL A 94 81.134 33.896 -18.933 1.00 0.00 H new ATOM 0 HG23 VAL A 94 82.130 35.269 -19.473 1.00 0.00 H new ATOM 1484 N LEU A 95 78.740 38.389 -18.791 1.00 0.00 N ATOM 1485 CA LEU A 95 77.848 39.425 -18.281 1.00 0.00 C ATOM 1486 C LEU A 95 76.657 39.624 -19.213 1.00 0.00 C ATOM 1487 O LEU A 95 75.505 39.461 -18.810 1.00 0.00 O ATOM 1488 CB LEU A 95 78.607 40.742 -18.115 1.00 0.00 C ATOM 1489 CG LEU A 95 79.763 40.730 -17.114 1.00 0.00 C ATOM 1490 CD1 LEU A 95 80.569 42.015 -17.213 1.00 0.00 C ATOM 1491 CD2 LEU A 95 79.239 40.534 -15.698 1.00 0.00 C ATOM 0 H LEU A 95 79.513 38.739 -19.358 1.00 0.00 H new ATOM 0 HA LEU A 95 77.475 39.103 -17.309 1.00 0.00 H new ATOM 0 HB2 LEU A 95 78.999 41.037 -19.088 1.00 0.00 H new ATOM 0 HB3 LEU A 95 77.897 41.511 -17.810 1.00 0.00 H new ATOM 0 HG LEU A 95 80.420 39.895 -17.356 1.00 0.00 H new ATOM 0 HD11 LEU A 95 81.387 41.988 -16.493 1.00 0.00 H new ATOM 0 HD12 LEU A 95 80.975 42.113 -18.220 1.00 0.00 H new ATOM 0 HD13 LEU A 95 79.924 42.867 -16.997 1.00 0.00 H new ATOM 0 HD21 LEU A 95 80.075 40.528 -14.998 1.00 0.00 H new ATOM 0 HD22 LEU A 95 78.560 41.348 -15.445 1.00 0.00 H new ATOM 0 HD23 LEU A 95 78.706 39.585 -15.635 1.00 0.00 H new ATOM 1503 N LEU A 96 76.943 39.976 -20.462 1.00 0.00 N ATOM 1504 CA LEU A 96 75.895 40.196 -21.453 1.00 0.00 C ATOM 1505 C LEU A 96 74.948 39.003 -21.519 1.00 0.00 C ATOM 1506 O LEU A 96 73.734 39.152 -21.382 1.00 0.00 O ATOM 1507 CB LEU A 96 76.513 40.448 -22.830 1.00 0.00 C ATOM 1508 CG LEU A 96 76.333 41.855 -23.399 1.00 0.00 C ATOM 1509 CD1 LEU A 96 77.363 42.127 -24.485 1.00 0.00 C ATOM 1510 CD2 LEU A 96 74.923 42.035 -23.942 1.00 0.00 C ATOM 0 H LEU A 96 77.891 40.115 -20.812 1.00 0.00 H new ATOM 0 HA LEU A 96 75.323 41.074 -21.152 1.00 0.00 H new ATOM 0 HB2 LEU A 96 77.580 40.235 -22.771 1.00 0.00 H new ATOM 0 HB3 LEU A 96 76.084 39.735 -23.534 1.00 0.00 H new ATOM 0 HG LEU A 96 76.485 42.574 -22.594 1.00 0.00 H new ATOM 0 HD11 LEU A 96 77.220 43.133 -24.879 1.00 0.00 H new ATOM 0 HD12 LEU A 96 78.365 42.041 -24.066 1.00 0.00 H new ATOM 0 HD13 LEU A 96 77.243 41.402 -25.290 1.00 0.00 H new ATOM 0 HD21 LEU A 96 74.813 43.043 -24.343 1.00 0.00 H new ATOM 0 HD22 LEU A 96 74.742 41.308 -24.734 1.00 0.00 H new ATOM 0 HD23 LEU A 96 74.202 41.884 -23.139 1.00 0.00 H new ATOM 1522 N SER A 97 75.512 37.817 -21.727 1.00 0.00 N ATOM 1523 CA SER A 97 74.717 36.597 -21.811 1.00 0.00 C ATOM 1524 C SER A 97 73.798 36.463 -20.602 1.00 0.00 C ATOM 1525 O SER A 97 72.700 35.913 -20.700 1.00 0.00 O ATOM 1526 CB SER A 97 75.631 35.374 -21.910 1.00 0.00 C ATOM 1527 OG SER A 97 74.903 34.224 -22.303 1.00 0.00 O ATOM 0 H SER A 97 76.516 37.675 -21.840 1.00 0.00 H new ATOM 0 HA SER A 97 74.101 36.655 -22.708 1.00 0.00 H new ATOM 0 HB2 SER A 97 76.427 35.568 -22.629 1.00 0.00 H new ATOM 0 HB3 SER A 97 76.109 35.194 -20.947 1.00 0.00 H new ATOM 0 HG SER A 97 75.510 33.457 -22.360 1.00 0.00 H new ATOM 1533 N HIS A 98 74.254 36.969 -19.460 1.00 0.00 N ATOM 1534 CA HIS A 98 73.472 36.907 -18.230 1.00 0.00 C ATOM 1535 C HIS A 98 72.334 37.922 -18.258 1.00 0.00 C ATOM 1536 O HIS A 98 71.191 37.597 -17.931 1.00 0.00 O ATOM 1537 CB HIS A 98 74.369 37.161 -17.018 1.00 0.00 C ATOM 1538 CG HIS A 98 73.803 36.639 -15.734 1.00 0.00 C ATOM 1539 ND1 HIS A 98 72.450 36.488 -15.514 1.00 0.00 N ATOM 1540 CD2 HIS A 98 74.415 36.229 -14.598 1.00 0.00 C ATOM 1541 CE1 HIS A 98 72.254 36.010 -14.298 1.00 0.00 C ATOM 1542 NE2 HIS A 98 73.431 35.843 -13.721 1.00 0.00 N ATOM 0 H HIS A 98 75.160 37.426 -19.361 1.00 0.00 H new ATOM 0 HA HIS A 98 73.042 35.909 -18.151 1.00 0.00 H new ATOM 0 HB2 HIS A 98 75.340 36.698 -17.192 1.00 0.00 H new ATOM 0 HB3 HIS A 98 74.540 38.233 -16.921 1.00 0.00 H new ATOM 0 HD1 HIS A 98 71.715 36.711 -16.185 1.00 0.00 H new ATOM 0 HD2 HIS A 98 75.479 36.209 -14.415 1.00 0.00 H new ATOM 0 HE1 HIS A 98 71.295 35.793 -13.852 1.00 0.00 H new ATOM 0 HE2 HIS A 98 73.584 35.486 -12.778 1.00 0.00 H new ATOM 1550 N LEU A 99 72.652 39.151 -18.648 1.00 0.00 N ATOM 1551 CA LEU A 99 71.656 40.214 -18.718 1.00 0.00 C ATOM 1552 C LEU A 99 70.626 39.924 -19.805 1.00 0.00 C ATOM 1553 O LEU A 99 69.486 40.384 -19.732 1.00 0.00 O ATOM 1554 CB LEU A 99 72.334 41.558 -18.988 1.00 0.00 C ATOM 1555 CG LEU A 99 72.303 42.568 -17.840 1.00 0.00 C ATOM 1556 CD1 LEU A 99 72.884 41.956 -16.575 1.00 0.00 C ATOM 1557 CD2 LEU A 99 73.060 43.832 -18.220 1.00 0.00 C ATOM 0 H LEU A 99 73.593 39.436 -18.921 1.00 0.00 H new ATOM 0 HA LEU A 99 71.141 40.260 -17.758 1.00 0.00 H new ATOM 0 HB2 LEU A 99 73.375 41.371 -19.253 1.00 0.00 H new ATOM 0 HB3 LEU A 99 71.861 42.013 -19.858 1.00 0.00 H new ATOM 0 HG LEU A 99 71.264 42.836 -17.646 1.00 0.00 H new ATOM 0 HD11 LEU A 99 72.854 42.689 -15.769 1.00 0.00 H new ATOM 0 HD12 LEU A 99 72.299 41.081 -16.292 1.00 0.00 H new ATOM 0 HD13 LEU A 99 73.917 41.658 -16.756 1.00 0.00 H new ATOM 0 HD21 LEU A 99 73.027 44.539 -17.391 1.00 0.00 H new ATOM 0 HD22 LEU A 99 74.097 43.582 -18.443 1.00 0.00 H new ATOM 0 HD23 LEU A 99 72.599 44.282 -19.099 1.00 0.00 H new ATOM 1569 N SER A 100 71.034 39.158 -20.811 1.00 0.00 N ATOM 1570 CA SER A 100 70.147 38.808 -21.914 1.00 0.00 C ATOM 1571 C SER A 100 69.359 37.540 -21.596 1.00 0.00 C ATOM 1572 O SER A 100 68.258 37.335 -22.108 1.00 0.00 O ATOM 1573 CB SER A 100 70.951 38.613 -23.201 1.00 0.00 C ATOM 1574 OG SER A 100 70.177 37.960 -24.192 1.00 0.00 O ATOM 0 H SER A 100 71.973 38.768 -20.885 1.00 0.00 H new ATOM 0 HA SER A 100 69.442 39.627 -22.055 1.00 0.00 H new ATOM 0 HB2 SER A 100 71.285 39.581 -23.575 1.00 0.00 H new ATOM 0 HB3 SER A 100 71.846 38.027 -22.989 1.00 0.00 H new ATOM 0 HG SER A 100 70.713 37.849 -25.005 1.00 0.00 H new ATOM 1580 N TYR A 101 69.931 36.693 -20.748 1.00 0.00 N ATOM 1581 CA TYR A 101 69.285 35.444 -20.363 1.00 0.00 C ATOM 1582 C TYR A 101 68.073 35.708 -19.476 1.00 0.00 C ATOM 1583 O TYR A 101 67.024 35.082 -19.634 1.00 0.00 O ATOM 1584 CB TYR A 101 70.277 34.536 -19.634 1.00 0.00 C ATOM 1585 CG TYR A 101 69.641 33.301 -19.037 1.00 0.00 C ATOM 1586 CD1 TYR A 101 69.497 32.139 -19.785 1.00 0.00 C ATOM 1587 CD2 TYR A 101 69.185 33.295 -17.724 1.00 0.00 C ATOM 1588 CE1 TYR A 101 68.916 31.008 -19.244 1.00 0.00 C ATOM 1589 CE2 TYR A 101 68.605 32.169 -17.175 1.00 0.00 C ATOM 1590 CZ TYR A 101 68.472 31.028 -17.939 1.00 0.00 C ATOM 1591 OH TYR A 101 67.894 29.903 -17.396 1.00 0.00 O ATOM 0 H TYR A 101 70.841 36.849 -20.314 1.00 0.00 H new ATOM 0 HA TYR A 101 68.946 34.945 -21.271 1.00 0.00 H new ATOM 0 HB2 TYR A 101 71.058 34.232 -20.331 1.00 0.00 H new ATOM 0 HB3 TYR A 101 70.762 35.105 -18.840 1.00 0.00 H new ATOM 0 HD1 TYR A 101 69.845 32.119 -20.807 1.00 0.00 H new ATOM 0 HD2 TYR A 101 69.286 34.187 -17.123 1.00 0.00 H new ATOM 0 HE1 TYR A 101 68.810 30.114 -19.840 1.00 0.00 H new ATOM 0 HE2 TYR A 101 68.257 32.181 -16.153 1.00 0.00 H new ATOM 0 HH TYR A 101 67.637 30.083 -16.468 1.00 0.00 H new ATOM 1601 N LEU A 102 68.224 36.641 -18.542 1.00 0.00 N ATOM 1602 CA LEU A 102 67.142 36.991 -17.628 1.00 0.00 C ATOM 1603 C LEU A 102 65.936 37.528 -18.392 1.00 0.00 C ATOM 1604 O LEU A 102 64.794 37.357 -17.966 1.00 0.00 O ATOM 1605 CB LEU A 102 67.622 38.031 -16.613 1.00 0.00 C ATOM 1606 CG LEU A 102 68.863 37.655 -15.802 1.00 0.00 C ATOM 1607 CD1 LEU A 102 69.741 38.875 -15.575 1.00 0.00 C ATOM 1608 CD2 LEU A 102 68.463 37.028 -14.475 1.00 0.00 C ATOM 0 H LEU A 102 69.085 37.169 -18.398 1.00 0.00 H new ATOM 0 HA LEU A 102 66.840 36.087 -17.098 1.00 0.00 H new ATOM 0 HB2 LEU A 102 67.828 38.960 -17.145 1.00 0.00 H new ATOM 0 HB3 LEU A 102 66.807 38.235 -15.919 1.00 0.00 H new ATOM 0 HG LEU A 102 69.436 36.921 -16.369 1.00 0.00 H new ATOM 0 HD11 LEU A 102 70.619 38.589 -14.996 1.00 0.00 H new ATOM 0 HD12 LEU A 102 70.056 39.280 -16.536 1.00 0.00 H new ATOM 0 HD13 LEU A 102 69.178 39.632 -15.029 1.00 0.00 H new ATOM 0 HD21 LEU A 102 69.359 36.767 -13.911 1.00 0.00 H new ATOM 0 HD22 LEU A 102 67.868 37.739 -13.902 1.00 0.00 H new ATOM 0 HD23 LEU A 102 67.876 36.129 -14.660 1.00 0.00 H new