USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=16 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 80:sc= 0.0513 USER MOD Set 1.2: A 91 ASN : amide:sc= -0.697 K(o=-0.65,f=-4.4!) USER MOD Set 2.1: A 57 TYR OH : rot 165:sc= 0 USER MOD Set 2.2: A 98 HIS : no HD1:sc= -0.0394 K(o=-0.039,f=-1.4) USER MOD Set 3.1: A 42 THR OG1 : rot -81:sc= 1.41 USER MOD Set 3.2: A 45 HIS : no HD1:sc= 0.303 K(o=1.7,f=-3.9) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0205 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) 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 -63:sc= 0.0912 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc=5.36e-05 USER MOD Single : A 65 SER OG : rot 180:sc= 0.124 USER MOD Single : A 68 GLN : amide:sc= -1.67 K(o=-1.7,f=-3.2) USER MOD Single : A 69 ASN : amide:sc= -0.401 K(o=-0.4,f=-1.7!) USER MOD Single : A 70 MET CE :methyl 169:sc= -0.765 (180deg=-1.02) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 CYS SG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 169:sc= -0.48 (180deg=-0.842) USER MOD Single : A 79 ASN : amide:sc= -0.0355 X(o=-0.035,f=-0.27) 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 75:sc= 0.215 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 66.365 38.506 -5.639 1.00 0.00 N ATOM 460 CA ILE A 33 67.550 38.532 -6.487 1.00 0.00 C ATOM 461 C ILE A 33 67.345 39.447 -7.690 1.00 0.00 C ATOM 462 O ILE A 33 68.293 40.048 -8.195 1.00 0.00 O ATOM 463 CB ILE A 33 67.918 37.122 -6.985 1.00 0.00 C ATOM 464 CG1 ILE A 33 69.268 37.148 -7.703 1.00 0.00 C ATOM 465 CG2 ILE A 33 66.832 36.586 -7.906 1.00 0.00 C ATOM 466 CD1 ILE A 33 70.089 35.894 -7.493 1.00 0.00 C ATOM 0 HA ILE A 33 68.367 38.916 -5.876 1.00 0.00 H new ATOM 0 HB ILE A 33 67.998 36.458 -6.125 1.00 0.00 H new ATOM 0 HG12 ILE A 33 69.100 37.288 -8.771 1.00 0.00 H new ATOM 0 HG13 ILE A 33 69.839 38.009 -7.355 1.00 0.00 H new ATOM 0 HG21 ILE A 33 67.106 35.589 -8.250 1.00 0.00 H new ATOM 0 HG22 ILE A 33 65.887 36.536 -7.364 1.00 0.00 H new ATOM 0 HG23 ILE A 33 66.723 37.249 -8.765 1.00 0.00 H new ATOM 0 HD11 ILE A 33 71.033 35.983 -8.031 1.00 0.00 H new ATOM 0 HD12 ILE A 33 70.288 35.764 -6.429 1.00 0.00 H new ATOM 0 HD13 ILE A 33 69.538 35.031 -7.867 1.00 0.00 H new ATOM 478 N VAL A 34 66.099 39.548 -8.143 1.00 0.00 N ATOM 479 CA VAL A 34 65.768 40.392 -9.285 1.00 0.00 C ATOM 480 C VAL A 34 64.332 40.897 -9.197 1.00 0.00 C ATOM 481 O VAL A 34 63.409 40.161 -8.847 1.00 0.00 O ATOM 482 CB VAL A 34 65.954 39.636 -10.614 1.00 0.00 C ATOM 483 CG1 VAL A 34 64.945 40.114 -11.647 1.00 0.00 C ATOM 484 CG2 VAL A 34 67.376 39.806 -11.128 1.00 0.00 C ATOM 0 H VAL A 34 65.303 39.056 -7.737 1.00 0.00 H new ATOM 0 HA VAL A 34 66.451 41.241 -9.260 1.00 0.00 H new ATOM 0 HB VAL A 34 65.780 38.575 -10.436 1.00 0.00 H new ATOM 0 HG11 VAL A 34 65.092 39.568 -12.579 1.00 0.00 H new ATOM 0 HG12 VAL A 34 63.935 39.936 -11.278 1.00 0.00 H new ATOM 0 HG13 VAL A 34 65.084 41.180 -11.825 1.00 0.00 H new ATOM 0 HG21 VAL A 34 67.490 39.266 -12.068 1.00 0.00 H new ATOM 0 HG22 VAL A 34 67.580 40.864 -11.291 1.00 0.00 H new ATOM 0 HG23 VAL A 34 68.078 39.410 -10.394 1.00 0.00 H new ATOM 494 N PRO A 35 64.137 42.184 -9.523 1.00 0.00 N ATOM 495 CA PRO A 35 62.815 42.816 -9.489 1.00 0.00 C ATOM 496 C PRO A 35 61.895 42.297 -10.589 1.00 0.00 C ATOM 497 O PRO A 35 60.745 41.941 -10.333 1.00 0.00 O ATOM 498 CB PRO A 35 63.126 44.299 -9.708 1.00 0.00 C ATOM 499 CG PRO A 35 64.419 44.310 -10.448 1.00 0.00 C ATOM 500 CD PRO A 35 65.191 43.119 -9.949 1.00 0.00 C ATOM 0 HA PRO A 35 62.288 42.609 -8.557 1.00 0.00 H new ATOM 0 HB2 PRO A 35 62.338 44.788 -10.281 1.00 0.00 H new ATOM 0 HB3 PRO A 35 63.208 44.830 -8.760 1.00 0.00 H new ATOM 0 HG2 PRO A 35 64.254 44.246 -11.523 1.00 0.00 H new ATOM 0 HG3 PRO A 35 64.966 45.235 -10.264 1.00 0.00 H new ATOM 0 HD2 PRO A 35 65.817 42.690 -10.731 1.00 0.00 H new ATOM 0 HD3 PRO A 35 65.850 43.385 -9.123 1.00 0.00 H new ATOM 508 N ALA A 36 62.410 42.255 -11.813 1.00 0.00 N ATOM 509 CA ALA A 36 61.635 41.776 -12.951 1.00 0.00 C ATOM 510 C ALA A 36 62.469 41.789 -14.228 1.00 0.00 C ATOM 511 O ALA A 36 62.879 40.739 -14.724 1.00 0.00 O ATOM 512 CB ALA A 36 60.382 42.620 -13.129 1.00 0.00 C ATOM 0 H ALA A 36 63.360 42.547 -12.042 1.00 0.00 H new ATOM 0 HA ALA A 36 61.341 40.746 -12.750 1.00 0.00 H new ATOM 0 HB1 ALA A 36 59.813 42.251 -13.982 1.00 0.00 H new ATOM 0 HB2 ALA A 36 59.770 42.556 -12.230 1.00 0.00 H new ATOM 0 HB3 ALA A 36 60.664 43.658 -13.303 1.00 0.00 H new ATOM 518 N ASP A 37 62.717 42.983 -14.755 1.00 0.00 N ATOM 519 CA ASP A 37 63.503 43.132 -15.974 1.00 0.00 C ATOM 520 C ASP A 37 64.772 43.935 -15.707 1.00 0.00 C ATOM 521 O ASP A 37 64.881 44.660 -14.718 1.00 0.00 O ATOM 522 CB ASP A 37 62.672 43.814 -17.062 1.00 0.00 C ATOM 523 CG ASP A 37 61.955 42.818 -17.952 1.00 0.00 C ATOM 524 OD1 ASP A 37 61.759 41.664 -17.514 1.00 0.00 O ATOM 525 OD2 ASP A 37 61.587 43.192 -19.085 1.00 0.00 O ATOM 0 H ASP A 37 62.385 43.862 -14.357 1.00 0.00 H new ATOM 0 HA ASP A 37 63.789 42.138 -16.317 1.00 0.00 H new ATOM 0 HB2 ASP A 37 61.940 44.473 -16.596 1.00 0.00 H new ATOM 0 HB3 ASP A 37 63.322 44.440 -17.673 1.00 0.00 H new ATOM 530 N PRO A 38 65.756 43.805 -16.610 1.00 0.00 N ATOM 531 CA PRO A 38 67.036 44.511 -16.493 1.00 0.00 C ATOM 532 C PRO A 38 66.892 46.012 -16.721 1.00 0.00 C ATOM 533 O PRO A 38 67.776 46.793 -16.364 1.00 0.00 O ATOM 534 CB PRO A 38 67.890 43.882 -17.597 1.00 0.00 C ATOM 535 CG PRO A 38 66.906 43.382 -18.598 1.00 0.00 C ATOM 536 CD PRO A 38 65.695 42.959 -17.814 1.00 0.00 C ATOM 0 HA PRO A 38 67.466 44.415 -15.496 1.00 0.00 H new ATOM 0 HB2 PRO A 38 68.567 44.613 -18.039 1.00 0.00 H new ATOM 0 HB3 PRO A 38 68.506 43.071 -17.208 1.00 0.00 H new ATOM 0 HG2 PRO A 38 66.652 44.160 -19.318 1.00 0.00 H new ATOM 0 HG3 PRO A 38 67.316 42.546 -19.164 1.00 0.00 H new ATOM 0 HD2 PRO A 38 64.775 43.124 -18.375 1.00 0.00 H new ATOM 0 HD3 PRO A 38 65.729 41.899 -17.563 1.00 0.00 H new ATOM 544 N THR A 39 65.773 46.412 -17.318 1.00 0.00 N ATOM 545 CA THR A 39 65.514 47.819 -17.594 1.00 0.00 C ATOM 546 C THR A 39 64.976 48.532 -16.358 1.00 0.00 C ATOM 547 O THR A 39 65.133 49.745 -16.211 1.00 0.00 O ATOM 548 CB THR A 39 64.510 47.990 -18.749 1.00 0.00 C ATOM 549 OG1 THR A 39 63.413 47.085 -18.582 1.00 0.00 O ATOM 550 CG2 THR A 39 65.181 47.738 -20.091 1.00 0.00 C ATOM 0 H THR A 39 65.031 45.780 -17.620 1.00 0.00 H new ATOM 0 HA THR A 39 66.466 48.265 -17.882 1.00 0.00 H new ATOM 0 HB THR A 39 64.141 49.016 -18.732 1.00 0.00 H new ATOM 0 HG1 THR A 39 62.778 47.201 -19.319 1.00 0.00 H new ATOM 0 HG21 THR A 39 64.452 47.865 -20.892 1.00 0.00 H new ATOM 0 HG22 THR A 39 65.998 48.447 -20.228 1.00 0.00 H new ATOM 0 HG23 THR A 39 65.575 46.722 -20.116 1.00 0.00 H new ATOM 558 N LEU A 40 64.342 47.772 -15.472 1.00 0.00 N ATOM 559 CA LEU A 40 63.780 48.331 -14.247 1.00 0.00 C ATOM 560 C LEU A 40 64.604 47.917 -13.032 1.00 0.00 C ATOM 561 O LEU A 40 64.061 47.443 -12.034 1.00 0.00 O ATOM 562 CB LEU A 40 62.330 47.876 -14.074 1.00 0.00 C ATOM 563 CG LEU A 40 61.393 48.158 -15.249 1.00 0.00 C ATOM 564 CD1 LEU A 40 60.187 47.233 -15.203 1.00 0.00 C ATOM 565 CD2 LEU A 40 60.951 49.614 -15.241 1.00 0.00 C ATOM 0 H LEU A 40 64.204 46.767 -15.579 1.00 0.00 H new ATOM 0 HA LEU A 40 63.806 49.418 -14.327 1.00 0.00 H new ATOM 0 HB2 LEU A 40 62.327 46.803 -13.883 1.00 0.00 H new ATOM 0 HB3 LEU A 40 61.922 48.359 -13.186 1.00 0.00 H new ATOM 0 HG LEU A 40 61.935 47.969 -16.175 1.00 0.00 H new ATOM 0 HD11 LEU A 40 59.531 47.448 -16.047 1.00 0.00 H new ATOM 0 HD12 LEU A 40 60.521 46.197 -15.258 1.00 0.00 H new ATOM 0 HD13 LEU A 40 59.643 47.390 -14.272 1.00 0.00 H new ATOM 0 HD21 LEU A 40 60.285 49.797 -16.084 1.00 0.00 H new ATOM 0 HD22 LEU A 40 60.426 49.830 -14.310 1.00 0.00 H new ATOM 0 HD23 LEU A 40 61.825 50.260 -15.323 1.00 0.00 H new ATOM 577 N TRP A 41 65.916 48.102 -13.123 1.00 0.00 N ATOM 578 CA TRP A 41 66.815 47.750 -12.029 1.00 0.00 C ATOM 579 C TRP A 41 67.158 48.976 -11.191 1.00 0.00 C ATOM 580 O TRP A 41 66.965 50.112 -11.625 1.00 0.00 O ATOM 581 CB TRP A 41 68.094 47.117 -12.578 1.00 0.00 C ATOM 582 CG TRP A 41 68.077 45.619 -12.546 1.00 0.00 C ATOM 583 CD1 TRP A 41 66.977 44.811 -12.606 1.00 0.00 C ATOM 584 CD2 TRP A 41 69.210 44.750 -12.444 1.00 0.00 C ATOM 585 NE1 TRP A 41 67.359 43.492 -12.548 1.00 0.00 N ATOM 586 CE2 TRP A 41 68.724 43.428 -12.449 1.00 0.00 C ATOM 587 CE3 TRP A 41 70.589 44.960 -12.351 1.00 0.00 C ATOM 588 CZ2 TRP A 41 69.568 42.324 -12.364 1.00 0.00 C ATOM 589 CZ3 TRP A 41 71.425 43.864 -12.266 1.00 0.00 C ATOM 590 CH2 TRP A 41 70.913 42.559 -12.274 1.00 0.00 C ATOM 0 H TRP A 41 66.381 48.493 -13.942 1.00 0.00 H new ATOM 0 HA TRP A 41 66.306 47.028 -11.390 1.00 0.00 H new ATOM 0 HB2 TRP A 41 68.243 47.450 -13.605 1.00 0.00 H new ATOM 0 HB3 TRP A 41 68.945 47.476 -12.000 1.00 0.00 H new ATOM 0 HD1 TRP A 41 65.957 45.158 -12.687 1.00 0.00 H new ATOM 0 HE1 TRP A 41 66.728 42.691 -12.574 1.00 0.00 H new ATOM 0 HE3 TRP A 41 70.993 45.961 -12.346 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 69.175 41.318 -12.369 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 72.492 44.015 -12.192 1.00 0.00 H new ATOM 0 HH2 TRP A 41 71.593 41.723 -12.208 1.00 0.00 H new ATOM 601 N THR A 42 67.670 48.740 -9.987 1.00 0.00 N ATOM 602 CA THR A 42 68.039 49.826 -9.087 1.00 0.00 C ATOM 603 C THR A 42 69.554 49.951 -8.970 1.00 0.00 C ATOM 604 O THR A 42 70.298 49.279 -9.683 1.00 0.00 O ATOM 605 CB THR A 42 67.443 49.619 -7.682 1.00 0.00 C ATOM 606 OG1 THR A 42 68.063 48.495 -7.047 1.00 0.00 O ATOM 607 CG2 THR A 42 65.940 49.397 -7.759 1.00 0.00 C ATOM 0 H THR A 42 67.839 47.806 -9.613 1.00 0.00 H new ATOM 0 HA THR A 42 67.632 50.743 -9.514 1.00 0.00 H new ATOM 0 HB THR A 42 67.633 50.518 -7.096 1.00 0.00 H new ATOM 0 HG1 THR A 42 67.652 47.667 -7.373 1.00 0.00 H new ATOM 0 HG21 THR A 42 65.542 49.253 -6.755 1.00 0.00 H new ATOM 0 HG22 THR A 42 65.467 50.266 -8.216 1.00 0.00 H new ATOM 0 HG23 THR A 42 65.733 48.512 -8.361 1.00 0.00 H new ATOM 615 N GLN A 43 70.003 50.816 -8.067 1.00 0.00 N ATOM 616 CA GLN A 43 71.430 51.029 -7.857 1.00 0.00 C ATOM 617 C GLN A 43 72.051 49.857 -7.104 1.00 0.00 C ATOM 618 O GLN A 43 73.229 49.549 -7.280 1.00 0.00 O ATOM 619 CB GLN A 43 71.666 52.329 -7.086 1.00 0.00 C ATOM 620 CG GLN A 43 71.514 53.579 -7.938 1.00 0.00 C ATOM 621 CD GLN A 43 70.594 54.606 -7.308 1.00 0.00 C ATOM 622 OE1 GLN A 43 69.450 54.775 -7.731 1.00 0.00 O ATOM 623 NE2 GLN A 43 71.090 55.300 -6.290 1.00 0.00 N ATOM 0 H GLN A 43 69.400 51.381 -7.469 1.00 0.00 H new ATOM 0 HA GLN A 43 71.908 51.103 -8.834 1.00 0.00 H new ATOM 0 HB2 GLN A 43 70.965 52.380 -6.253 1.00 0.00 H new ATOM 0 HB3 GLN A 43 72.668 52.311 -6.658 1.00 0.00 H new ATOM 0 HG2 GLN A 43 72.495 54.026 -8.099 1.00 0.00 H new ATOM 0 HG3 GLN A 43 71.126 53.301 -8.918 1.00 0.00 H new ATOM 0 HE21 GLN A 43 72.044 55.128 -5.972 1.00 0.00 H new ATOM 0 HE22 GLN A 43 70.517 56.005 -5.826 1.00 0.00 H new ATOM 632 N GLU A 44 71.249 49.209 -6.265 1.00 0.00 N ATOM 633 CA GLU A 44 71.722 48.071 -5.484 1.00 0.00 C ATOM 634 C GLU A 44 71.745 46.802 -6.332 1.00 0.00 C ATOM 635 O GLU A 44 72.682 46.006 -6.252 1.00 0.00 O ATOM 636 CB GLU A 44 70.832 47.861 -4.257 1.00 0.00 C ATOM 637 CG GLU A 44 71.382 46.843 -3.273 1.00 0.00 C ATOM 638 CD GLU A 44 72.353 47.455 -2.282 1.00 0.00 C ATOM 639 OE1 GLU A 44 71.893 48.136 -1.343 1.00 0.00 O ATOM 640 OE2 GLU A 44 73.575 47.251 -2.447 1.00 0.00 O ATOM 0 H GLU A 44 70.271 49.452 -6.109 1.00 0.00 H new ATOM 0 HA GLU A 44 72.738 48.286 -5.154 1.00 0.00 H new ATOM 0 HB2 GLU A 44 70.702 48.815 -3.745 1.00 0.00 H new ATOM 0 HB3 GLU A 44 69.844 47.539 -4.586 1.00 0.00 H new ATOM 0 HG2 GLU A 44 70.555 46.385 -2.730 1.00 0.00 H new ATOM 0 HG3 GLU A 44 71.883 46.046 -3.822 1.00 0.00 H new ATOM 647 N HIS A 45 70.708 46.620 -7.143 1.00 0.00 N ATOM 648 CA HIS A 45 70.609 45.448 -8.006 1.00 0.00 C ATOM 649 C HIS A 45 71.812 45.358 -8.940 1.00 0.00 C ATOM 650 O HIS A 45 72.194 44.271 -9.374 1.00 0.00 O ATOM 651 CB HIS A 45 69.318 45.497 -8.823 1.00 0.00 C ATOM 652 CG HIS A 45 68.097 45.129 -8.036 1.00 0.00 C ATOM 653 ND1 HIS A 45 67.044 45.995 -7.832 1.00 0.00 N ATOM 654 CD2 HIS A 45 67.765 43.979 -7.405 1.00 0.00 C ATOM 655 CE1 HIS A 45 66.118 45.394 -7.106 1.00 0.00 C ATOM 656 NE2 HIS A 45 66.531 44.169 -6.834 1.00 0.00 N ATOM 0 H HIS A 45 69.925 47.269 -7.221 1.00 0.00 H new ATOM 0 HA HIS A 45 70.596 44.561 -7.372 1.00 0.00 H new ATOM 0 HB2 HIS A 45 69.191 46.501 -9.227 1.00 0.00 H new ATOM 0 HB3 HIS A 45 69.410 44.821 -9.673 1.00 0.00 H new ATOM 0 HD2 HIS A 45 68.360 43.079 -7.359 1.00 0.00 H new ATOM 0 HE1 HIS A 45 65.182 45.830 -6.789 1.00 0.00 H new ATOM 0 HE2 HIS A 45 66.017 43.477 -6.289 1.00 0.00 H new ATOM 664 N VAL A 46 72.406 46.507 -9.246 1.00 0.00 N ATOM 665 CA VAL A 46 73.565 46.558 -10.128 1.00 0.00 C ATOM 666 C VAL A 46 74.838 46.165 -9.386 1.00 0.00 C ATOM 667 O VAL A 46 75.801 45.694 -9.991 1.00 0.00 O ATOM 668 CB VAL A 46 73.750 47.963 -10.732 1.00 0.00 C ATOM 669 CG1 VAL A 46 74.960 47.994 -11.653 1.00 0.00 C ATOM 670 CG2 VAL A 46 72.493 48.392 -11.475 1.00 0.00 C ATOM 0 H VAL A 46 72.103 47.416 -8.895 1.00 0.00 H new ATOM 0 HA VAL A 46 73.382 45.846 -10.933 1.00 0.00 H new ATOM 0 HB VAL A 46 73.924 48.669 -9.920 1.00 0.00 H new ATOM 0 HG11 VAL A 46 75.074 48.995 -12.070 1.00 0.00 H new ATOM 0 HG12 VAL A 46 75.854 47.732 -11.088 1.00 0.00 H new ATOM 0 HG13 VAL A 46 74.820 47.277 -12.462 1.00 0.00 H new ATOM 0 HG21 VAL A 46 72.641 49.387 -11.896 1.00 0.00 H new ATOM 0 HG22 VAL A 46 72.286 47.685 -12.279 1.00 0.00 H new ATOM 0 HG23 VAL A 46 71.651 48.412 -10.784 1.00 0.00 H new ATOM 680 N ARG A 47 74.835 46.362 -8.072 1.00 0.00 N ATOM 681 CA ARG A 47 75.990 46.029 -7.247 1.00 0.00 C ATOM 682 C ARG A 47 75.922 44.578 -6.778 1.00 0.00 C ATOM 683 O ARG A 47 76.872 43.815 -6.954 1.00 0.00 O ATOM 684 CB ARG A 47 76.066 46.963 -6.038 1.00 0.00 C ATOM 685 CG ARG A 47 77.430 47.609 -5.853 1.00 0.00 C ATOM 686 CD ARG A 47 77.386 48.713 -4.808 1.00 0.00 C ATOM 687 NE ARG A 47 77.988 48.296 -3.545 1.00 0.00 N ATOM 688 CZ ARG A 47 79.299 48.192 -3.354 1.00 0.00 C ATOM 689 NH1 ARG A 47 80.140 48.474 -4.339 1.00 0.00 N ATOM 690 NH2 ARG A 47 79.770 47.806 -2.175 1.00 0.00 N ATOM 0 H ARG A 47 74.046 46.751 -7.556 1.00 0.00 H new ATOM 0 HA ARG A 47 76.887 46.156 -7.853 1.00 0.00 H new ATOM 0 HB2 ARG A 47 75.314 47.745 -6.146 1.00 0.00 H new ATOM 0 HB3 ARG A 47 75.814 46.401 -5.139 1.00 0.00 H new ATOM 0 HG2 ARG A 47 78.155 46.852 -5.554 1.00 0.00 H new ATOM 0 HG3 ARG A 47 77.771 48.019 -6.803 1.00 0.00 H new ATOM 0 HD2 ARG A 47 77.909 49.591 -5.186 1.00 0.00 H new ATOM 0 HD3 ARG A 47 76.351 49.008 -4.636 1.00 0.00 H new ATOM 0 HE ARG A 47 77.368 48.072 -2.766 1.00 0.00 H new ATOM 0 HH11 ARG A 47 79.781 48.772 -5.246 1.00 0.00 H new ATOM 0 HH12 ARG A 47 81.146 48.393 -4.190 1.00 0.00 H new ATOM 0 HH21 ARG A 47 79.126 47.589 -1.415 1.00 0.00 H new ATOM 0 HH22 ARG A 47 80.776 47.726 -2.029 1.00 0.00 H new ATOM 704 N GLN A 48 74.795 44.206 -6.180 1.00 0.00 N ATOM 705 CA GLN A 48 74.605 42.848 -5.686 1.00 0.00 C ATOM 706 C GLN A 48 74.880 41.825 -6.783 1.00 0.00 C ATOM 707 O GLN A 48 75.594 40.846 -6.568 1.00 0.00 O ATOM 708 CB GLN A 48 73.183 42.671 -5.152 1.00 0.00 C ATOM 709 CG GLN A 48 72.982 43.237 -3.755 1.00 0.00 C ATOM 710 CD GLN A 48 73.135 42.186 -2.673 1.00 0.00 C ATOM 711 OE1 GLN A 48 72.215 41.411 -2.409 1.00 0.00 O ATOM 712 NE2 GLN A 48 74.301 42.154 -2.038 1.00 0.00 N ATOM 0 H GLN A 48 74.000 44.826 -6.026 1.00 0.00 H new ATOM 0 HA GLN A 48 75.314 42.682 -4.875 1.00 0.00 H new ATOM 0 HB2 GLN A 48 72.485 43.155 -5.835 1.00 0.00 H new ATOM 0 HB3 GLN A 48 72.937 41.609 -5.144 1.00 0.00 H new ATOM 0 HG2 GLN A 48 73.702 44.037 -3.584 1.00 0.00 H new ATOM 0 HG3 GLN A 48 71.989 43.682 -3.687 1.00 0.00 H new ATOM 0 HE21 GLN A 48 75.036 42.815 -2.289 1.00 0.00 H new ATOM 0 HE22 GLN A 48 74.461 41.469 -1.300 1.00 0.00 H new ATOM 721 N TRP A 49 74.309 42.060 -7.959 1.00 0.00 N ATOM 722 CA TRP A 49 74.492 41.158 -9.091 1.00 0.00 C ATOM 723 C TRP A 49 75.972 40.894 -9.342 1.00 0.00 C ATOM 724 O TRP A 49 76.410 39.743 -9.379 1.00 0.00 O ATOM 725 CB TRP A 49 73.846 41.745 -10.347 1.00 0.00 C ATOM 726 CG TRP A 49 74.135 40.956 -11.588 1.00 0.00 C ATOM 727 CD1 TRP A 49 73.790 39.658 -11.833 1.00 0.00 C ATOM 728 CD2 TRP A 49 74.831 41.415 -12.752 1.00 0.00 C ATOM 729 NE1 TRP A 49 74.230 39.282 -13.079 1.00 0.00 N ATOM 730 CE2 TRP A 49 74.871 40.342 -13.664 1.00 0.00 C ATOM 731 CE3 TRP A 49 75.423 42.628 -13.113 1.00 0.00 C ATOM 732 CZ2 TRP A 49 75.480 40.448 -14.911 1.00 0.00 C ATOM 733 CZ3 TRP A 49 76.028 42.731 -14.352 1.00 0.00 C ATOM 734 CH2 TRP A 49 76.051 41.647 -15.239 1.00 0.00 C ATOM 0 H TRP A 49 73.716 42.867 -8.154 1.00 0.00 H new ATOM 0 HA TRP A 49 74.008 40.211 -8.851 1.00 0.00 H new ATOM 0 HB2 TRP A 49 72.767 41.797 -10.201 1.00 0.00 H new ATOM 0 HB3 TRP A 49 74.199 42.767 -10.485 1.00 0.00 H new ATOM 0 HD1 TRP A 49 73.251 39.021 -11.148 1.00 0.00 H new ATOM 0 HE1 TRP A 49 74.100 38.362 -13.500 1.00 0.00 H new ATOM 0 HE3 TRP A 49 75.408 43.470 -12.437 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 75.501 39.613 -15.596 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 76.491 43.663 -14.641 1.00 0.00 H new ATOM 0 HH2 TRP A 49 76.529 41.760 -16.201 1.00 0.00 H new ATOM 745 N LEU A 50 76.739 41.965 -9.514 1.00 0.00 N ATOM 746 CA LEU A 50 78.172 41.848 -9.762 1.00 0.00 C ATOM 747 C LEU A 50 78.847 41.019 -8.674 1.00 0.00 C ATOM 748 O LEU A 50 79.604 40.094 -8.966 1.00 0.00 O ATOM 749 CB LEU A 50 78.812 43.235 -9.832 1.00 0.00 C ATOM 750 CG LEU A 50 80.035 43.365 -10.741 1.00 0.00 C ATOM 751 CD1 LEU A 50 79.610 43.450 -12.199 1.00 0.00 C ATOM 752 CD2 LEU A 50 80.861 44.583 -10.353 1.00 0.00 C ATOM 0 H LEU A 50 76.393 42.924 -9.486 1.00 0.00 H new ATOM 0 HA LEU A 50 78.310 41.342 -10.717 1.00 0.00 H new ATOM 0 HB2 LEU A 50 78.057 43.945 -10.169 1.00 0.00 H new ATOM 0 HB3 LEU A 50 79.101 43.531 -8.824 1.00 0.00 H new ATOM 0 HG LEU A 50 80.653 42.476 -10.615 1.00 0.00 H new ATOM 0 HD11 LEU A 50 80.493 43.542 -12.831 1.00 0.00 H new ATOM 0 HD12 LEU A 50 79.062 42.548 -12.471 1.00 0.00 H new ATOM 0 HD13 LEU A 50 78.970 44.321 -12.341 1.00 0.00 H new ATOM 0 HD21 LEU A 50 81.727 44.660 -11.010 1.00 0.00 H new ATOM 0 HD22 LEU A 50 80.252 45.482 -10.449 1.00 0.00 H new ATOM 0 HD23 LEU A 50 81.197 44.481 -9.321 1.00 0.00 H new ATOM 764 N GLU A 51 78.565 41.356 -7.420 1.00 0.00 N ATOM 765 CA GLU A 51 79.144 40.641 -6.288 1.00 0.00 C ATOM 766 C GLU A 51 78.751 39.166 -6.318 1.00 0.00 C ATOM 767 O GLU A 51 79.469 38.311 -5.799 1.00 0.00 O ATOM 768 CB GLU A 51 78.693 41.274 -4.971 1.00 0.00 C ATOM 769 CG GLU A 51 79.636 42.350 -4.458 1.00 0.00 C ATOM 770 CD GLU A 51 79.492 42.589 -2.968 1.00 0.00 C ATOM 771 OE1 GLU A 51 80.028 41.778 -2.183 1.00 0.00 O ATOM 772 OE2 GLU A 51 78.845 43.586 -2.586 1.00 0.00 O ATOM 0 H GLU A 51 77.940 42.119 -7.162 1.00 0.00 H new ATOM 0 HA GLU A 51 80.229 40.712 -6.363 1.00 0.00 H new ATOM 0 HB2 GLU A 51 77.701 41.706 -5.106 1.00 0.00 H new ATOM 0 HB3 GLU A 51 78.600 40.494 -4.216 1.00 0.00 H new ATOM 0 HG2 GLU A 51 80.664 42.062 -4.678 1.00 0.00 H new ATOM 0 HG3 GLU A 51 79.444 43.281 -4.992 1.00 0.00 H new ATOM 779 N TRP A 52 77.607 38.878 -6.927 1.00 0.00 N ATOM 780 CA TRP A 52 77.117 37.507 -7.024 1.00 0.00 C ATOM 781 C TRP A 52 77.807 36.762 -8.161 1.00 0.00 C ATOM 782 O TRP A 52 78.257 35.629 -7.989 1.00 0.00 O ATOM 783 CB TRP A 52 75.602 37.499 -7.238 1.00 0.00 C ATOM 784 CG TRP A 52 75.028 36.121 -7.365 1.00 0.00 C ATOM 785 CD1 TRP A 52 74.618 35.307 -6.347 1.00 0.00 C ATOM 786 CD2 TRP A 52 74.802 35.395 -8.578 1.00 0.00 C ATOM 787 NE1 TRP A 52 74.151 34.118 -6.855 1.00 0.00 N ATOM 788 CE2 TRP A 52 74.252 34.148 -8.221 1.00 0.00 C ATOM 789 CE3 TRP A 52 75.008 35.678 -9.931 1.00 0.00 C ATOM 790 CZ2 TRP A 52 73.908 33.188 -9.169 1.00 0.00 C ATOM 791 CZ3 TRP A 52 74.667 34.724 -10.870 1.00 0.00 C ATOM 792 CH2 TRP A 52 74.121 33.491 -10.486 1.00 0.00 C ATOM 0 H TRP A 52 77.001 39.574 -7.361 1.00 0.00 H new ATOM 0 HA TRP A 52 77.347 36.998 -6.088 1.00 0.00 H new ATOM 0 HB2 TRP A 52 75.122 38.010 -6.403 1.00 0.00 H new ATOM 0 HB3 TRP A 52 75.366 38.067 -8.138 1.00 0.00 H new ATOM 0 HD1 TRP A 52 74.655 35.560 -5.298 1.00 0.00 H new ATOM 0 HE1 TRP A 52 73.788 33.340 -6.304 1.00 0.00 H new ATOM 0 HE3 TRP A 52 75.426 36.626 -10.237 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 73.488 32.238 -8.875 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 74.824 34.931 -11.918 1.00 0.00 H new ATOM 0 HH2 TRP A 52 73.864 32.767 -11.244 1.00 0.00 H new ATOM 803 N ALA A 53 77.888 37.404 -9.321 1.00 0.00 N ATOM 804 CA ALA A 53 78.526 36.802 -10.485 1.00 0.00 C ATOM 805 C ALA A 53 80.005 36.536 -10.224 1.00 0.00 C ATOM 806 O ALA A 53 80.492 35.425 -10.437 1.00 0.00 O ATOM 807 CB ALA A 53 78.355 37.697 -11.703 1.00 0.00 C ATOM 0 H ALA A 53 77.520 38.342 -9.480 1.00 0.00 H new ATOM 0 HA ALA A 53 78.041 35.846 -10.680 1.00 0.00 H new ATOM 0 HB1 ALA A 53 78.836 37.235 -12.565 1.00 0.00 H new ATOM 0 HB2 ALA A 53 77.293 37.832 -11.909 1.00 0.00 H new ATOM 0 HB3 ALA A 53 78.813 38.667 -11.509 1.00 0.00 H new ATOM 813 N ILE A 54 80.713 37.561 -9.764 1.00 0.00 N ATOM 814 CA ILE A 54 82.136 37.437 -9.474 1.00 0.00 C ATOM 815 C ILE A 54 82.400 36.300 -8.493 1.00 0.00 C ATOM 816 O ILE A 54 83.488 35.724 -8.470 1.00 0.00 O ATOM 817 CB ILE A 54 82.709 38.744 -8.895 1.00 0.00 C ATOM 818 CG1 ILE A 54 82.488 39.901 -9.872 1.00 0.00 C ATOM 819 CG2 ILE A 54 84.189 38.582 -8.584 1.00 0.00 C ATOM 820 CD1 ILE A 54 82.636 41.265 -9.236 1.00 0.00 C ATOM 0 H ILE A 54 80.325 38.487 -9.584 1.00 0.00 H new ATOM 0 HA ILE A 54 82.633 37.220 -10.420 1.00 0.00 H new ATOM 0 HB ILE A 54 82.186 38.972 -7.967 1.00 0.00 H new ATOM 0 HG12 ILE A 54 83.199 39.813 -10.694 1.00 0.00 H new ATOM 0 HG13 ILE A 54 81.491 39.816 -10.303 1.00 0.00 H new ATOM 0 HG21 ILE A 54 84.579 39.514 -8.176 1.00 0.00 H new ATOM 0 HG22 ILE A 54 84.322 37.783 -7.855 1.00 0.00 H new ATOM 0 HG23 ILE A 54 84.728 38.333 -9.498 1.00 0.00 H new ATOM 0 HD11 ILE A 54 82.466 42.037 -9.987 1.00 0.00 H new ATOM 0 HD12 ILE A 54 81.907 41.373 -8.433 1.00 0.00 H new ATOM 0 HD13 ILE A 54 83.642 41.370 -8.829 1.00 0.00 H new ATOM 832 N LYS A 55 81.397 35.980 -7.683 1.00 0.00 N ATOM 833 CA LYS A 55 81.518 34.910 -6.700 1.00 0.00 C ATOM 834 C LYS A 55 81.171 33.560 -7.320 1.00 0.00 C ATOM 835 O LYS A 55 82.010 32.663 -7.383 1.00 0.00 O ATOM 836 CB LYS A 55 80.604 35.183 -5.503 1.00 0.00 C ATOM 837 CG LYS A 55 81.288 35.937 -4.375 1.00 0.00 C ATOM 838 CD LYS A 55 81.806 34.991 -3.305 1.00 0.00 C ATOM 839 CE LYS A 55 83.320 35.065 -3.181 1.00 0.00 C ATOM 840 NZ LYS A 55 83.770 34.898 -1.771 1.00 0.00 N ATOM 0 H LYS A 55 80.490 36.447 -7.688 1.00 0.00 H new ATOM 0 HA LYS A 55 82.553 34.879 -6.360 1.00 0.00 H new ATOM 0 HB2 LYS A 55 79.740 35.755 -5.840 1.00 0.00 H new ATOM 0 HB3 LYS A 55 80.228 34.234 -5.119 1.00 0.00 H new ATOM 0 HG2 LYS A 55 82.116 36.522 -4.777 1.00 0.00 H new ATOM 0 HG3 LYS A 55 80.586 36.642 -3.930 1.00 0.00 H new ATOM 0 HD2 LYS A 55 81.349 35.238 -2.347 1.00 0.00 H new ATOM 0 HD3 LYS A 55 81.509 33.970 -3.546 1.00 0.00 H new ATOM 0 HE2 LYS A 55 83.773 34.292 -3.801 1.00 0.00 H new ATOM 0 HE3 LYS A 55 83.669 36.025 -3.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 84.808 34.955 -1.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 83.358 35.651 -1.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 83.459 33.972 -1.415 1.00 0.00 H new ATOM 854 N GLU A 56 79.930 33.426 -7.777 1.00 0.00 N ATOM 855 CA GLU A 56 79.473 32.185 -8.392 1.00 0.00 C ATOM 856 C GLU A 56 80.395 31.775 -9.537 1.00 0.00 C ATOM 857 O GLU A 56 81.069 30.746 -9.468 1.00 0.00 O ATOM 858 CB GLU A 56 78.041 32.342 -8.907 1.00 0.00 C ATOM 859 CG GLU A 56 77.454 31.059 -9.473 1.00 0.00 C ATOM 860 CD GLU A 56 77.725 29.855 -8.593 1.00 0.00 C ATOM 861 OE1 GLU A 56 77.019 29.695 -7.575 1.00 0.00 O ATOM 862 OE2 GLU A 56 78.641 29.073 -8.920 1.00 0.00 O ATOM 0 H GLU A 56 79.224 34.161 -7.733 1.00 0.00 H new ATOM 0 HA GLU A 56 79.494 31.403 -7.633 1.00 0.00 H new ATOM 0 HB2 GLU A 56 77.407 32.693 -8.093 1.00 0.00 H new ATOM 0 HB3 GLU A 56 78.024 33.111 -9.679 1.00 0.00 H new ATOM 0 HG2 GLU A 56 76.378 31.180 -9.596 1.00 0.00 H new ATOM 0 HG3 GLU A 56 77.870 30.880 -10.465 1.00 0.00 H new ATOM 869 N TYR A 57 80.419 32.586 -10.589 1.00 0.00 N ATOM 870 CA TYR A 57 81.255 32.307 -11.750 1.00 0.00 C ATOM 871 C TYR A 57 82.731 32.281 -11.366 1.00 0.00 C ATOM 872 O TYR A 57 83.542 31.623 -12.016 1.00 0.00 O ATOM 873 CB TYR A 57 81.018 33.355 -12.839 1.00 0.00 C ATOM 874 CG TYR A 57 79.692 33.202 -13.548 1.00 0.00 C ATOM 875 CD1 TYR A 57 79.562 32.362 -14.647 1.00 0.00 C ATOM 876 CD2 TYR A 57 78.568 33.899 -13.121 1.00 0.00 C ATOM 877 CE1 TYR A 57 78.353 32.220 -15.299 1.00 0.00 C ATOM 878 CE2 TYR A 57 77.354 33.762 -13.766 1.00 0.00 C ATOM 879 CZ TYR A 57 77.252 32.921 -14.855 1.00 0.00 C ATOM 880 OH TYR A 57 76.045 32.783 -15.501 1.00 0.00 O ATOM 0 H TYR A 57 79.869 33.442 -10.661 1.00 0.00 H new ATOM 0 HA TYR A 57 80.982 31.324 -12.135 1.00 0.00 H new ATOM 0 HB2 TYR A 57 81.069 34.348 -12.393 1.00 0.00 H new ATOM 0 HB3 TYR A 57 81.822 33.293 -13.572 1.00 0.00 H new ATOM 0 HD1 TYR A 57 80.422 31.810 -14.998 1.00 0.00 H new ATOM 0 HD2 TYR A 57 78.645 34.559 -12.270 1.00 0.00 H new ATOM 0 HE1 TYR A 57 78.270 31.563 -16.152 1.00 0.00 H new ATOM 0 HE2 TYR A 57 76.490 34.310 -13.420 1.00 0.00 H new ATOM 0 HH TYR A 57 75.329 33.144 -14.937 1.00 0.00 H new ATOM 890 N SER A 58 83.071 33.003 -10.302 1.00 0.00 N ATOM 891 CA SER A 58 84.450 33.067 -9.831 1.00 0.00 C ATOM 892 C SER A 58 85.356 33.693 -10.887 1.00 0.00 C ATOM 893 O SER A 58 86.365 33.107 -11.282 1.00 0.00 O ATOM 894 CB SER A 58 84.954 31.667 -9.474 1.00 0.00 C ATOM 895 OG SER A 58 86.180 31.732 -8.766 1.00 0.00 O ATOM 0 H SER A 58 82.411 33.551 -9.751 1.00 0.00 H new ATOM 0 HA SER A 58 84.475 33.693 -8.939 1.00 0.00 H new ATOM 0 HB2 SER A 58 84.208 31.152 -8.869 1.00 0.00 H new ATOM 0 HB3 SER A 58 85.086 31.082 -10.384 1.00 0.00 H new ATOM 0 HG SER A 58 86.866 32.137 -9.337 1.00 0.00 H new ATOM 901 N LEU A 59 84.989 34.887 -11.339 1.00 0.00 N ATOM 902 CA LEU A 59 85.768 35.594 -12.349 1.00 0.00 C ATOM 903 C LEU A 59 87.082 36.103 -11.766 1.00 0.00 C ATOM 904 O LEU A 59 87.393 35.854 -10.602 1.00 0.00 O ATOM 905 CB LEU A 59 84.962 36.764 -12.917 1.00 0.00 C ATOM 906 CG LEU A 59 83.524 36.449 -13.332 1.00 0.00 C ATOM 907 CD1 LEU A 59 82.722 37.731 -13.492 1.00 0.00 C ATOM 908 CD2 LEU A 59 83.507 35.643 -14.623 1.00 0.00 C ATOM 0 H LEU A 59 84.157 35.385 -11.022 1.00 0.00 H new ATOM 0 HA LEU A 59 85.996 34.893 -13.152 1.00 0.00 H new ATOM 0 HB2 LEU A 59 84.938 37.559 -12.171 1.00 0.00 H new ATOM 0 HB3 LEU A 59 85.492 37.157 -13.785 1.00 0.00 H new ATOM 0 HG LEU A 59 83.062 35.851 -12.547 1.00 0.00 H new ATOM 0 HD11 LEU A 59 81.702 37.487 -13.788 1.00 0.00 H new ATOM 0 HD12 LEU A 59 82.706 38.271 -12.545 1.00 0.00 H new ATOM 0 HD13 LEU A 59 83.182 38.355 -14.258 1.00 0.00 H new ATOM 0 HD21 LEU A 59 82.476 35.428 -14.904 1.00 0.00 H new ATOM 0 HD22 LEU A 59 83.987 36.216 -15.416 1.00 0.00 H new ATOM 0 HD23 LEU A 59 84.046 34.707 -14.475 1.00 0.00 H new ATOM 920 N MET A 60 87.849 36.819 -12.583 1.00 0.00 N ATOM 921 CA MET A 60 89.128 37.366 -12.146 1.00 0.00 C ATOM 922 C MET A 60 89.442 38.665 -12.880 1.00 0.00 C ATOM 923 O MET A 60 89.360 38.731 -14.106 1.00 0.00 O ATOM 924 CB MET A 60 90.248 36.350 -12.380 1.00 0.00 C ATOM 925 CG MET A 60 90.251 35.761 -13.781 1.00 0.00 C ATOM 926 SD MET A 60 91.916 35.457 -14.403 1.00 0.00 S ATOM 927 CE MET A 60 91.554 34.778 -16.021 1.00 0.00 C ATOM 0 H MET A 60 87.607 37.033 -13.550 1.00 0.00 H new ATOM 0 HA MET A 60 89.059 37.580 -11.079 1.00 0.00 H new ATOM 0 HB2 MET A 60 91.208 36.831 -12.195 1.00 0.00 H new ATOM 0 HB3 MET A 60 90.152 35.542 -11.655 1.00 0.00 H new ATOM 0 HG2 MET A 60 89.692 34.825 -13.779 1.00 0.00 H new ATOM 0 HG3 MET A 60 89.733 36.441 -14.458 1.00 0.00 H new ATOM 0 HE1 MET A 60 92.487 34.539 -16.532 1.00 0.00 H new ATOM 0 HE2 MET A 60 90.958 33.872 -15.910 1.00 0.00 H new ATOM 0 HE3 MET A 60 90.997 35.510 -16.606 1.00 0.00 H new ATOM 937 N GLU A 61 89.802 39.697 -12.122 1.00 0.00 N ATOM 938 CA GLU A 61 90.127 40.994 -12.702 1.00 0.00 C ATOM 939 C GLU A 61 88.914 41.594 -13.408 1.00 0.00 C ATOM 940 O GLU A 61 88.625 41.262 -14.558 1.00 0.00 O ATOM 941 CB GLU A 61 91.290 40.860 -13.688 1.00 0.00 C ATOM 942 CG GLU A 61 92.455 40.048 -13.148 1.00 0.00 C ATOM 943 CD GLU A 61 93.668 40.093 -14.057 1.00 0.00 C ATOM 944 OE1 GLU A 61 93.503 39.890 -15.278 1.00 0.00 O ATOM 945 OE2 GLU A 61 94.783 40.330 -13.546 1.00 0.00 O ATOM 0 H GLU A 61 89.876 39.659 -11.105 1.00 0.00 H new ATOM 0 HA GLU A 61 90.422 41.662 -11.892 1.00 0.00 H new ATOM 0 HB2 GLU A 61 90.927 40.394 -14.604 1.00 0.00 H new ATOM 0 HB3 GLU A 61 91.645 41.855 -13.956 1.00 0.00 H new ATOM 0 HG2 GLU A 61 92.730 40.425 -12.163 1.00 0.00 H new ATOM 0 HG3 GLU A 61 92.142 39.012 -13.017 1.00 0.00 H new ATOM 952 N ILE A 62 88.208 42.477 -12.710 1.00 0.00 N ATOM 953 CA ILE A 62 87.027 43.124 -13.269 1.00 0.00 C ATOM 954 C ILE A 62 86.771 44.471 -12.604 1.00 0.00 C ATOM 955 O ILE A 62 86.880 44.604 -11.385 1.00 0.00 O ATOM 956 CB ILE A 62 85.775 42.240 -13.113 1.00 0.00 C ATOM 957 CG1 ILE A 62 84.606 42.832 -13.902 1.00 0.00 C ATOM 958 CG2 ILE A 62 85.410 42.095 -11.644 1.00 0.00 C ATOM 959 CD1 ILE A 62 83.354 41.984 -13.855 1.00 0.00 C ATOM 0 H ILE A 62 88.433 42.761 -11.757 1.00 0.00 H new ATOM 0 HA ILE A 62 87.224 43.278 -14.330 1.00 0.00 H new ATOM 0 HB ILE A 62 85.994 41.250 -13.512 1.00 0.00 H new ATOM 0 HG12 ILE A 62 84.379 43.823 -13.510 1.00 0.00 H new ATOM 0 HG13 ILE A 62 84.908 42.962 -14.941 1.00 0.00 H new ATOM 0 HG21 ILE A 62 84.524 41.468 -11.550 1.00 0.00 H new ATOM 0 HG22 ILE A 62 86.239 41.635 -11.107 1.00 0.00 H new ATOM 0 HG23 ILE A 62 85.205 43.079 -11.221 1.00 0.00 H new ATOM 0 HD11 ILE A 62 82.567 42.465 -14.436 1.00 0.00 H new ATOM 0 HD12 ILE A 62 83.565 41.000 -14.274 1.00 0.00 H new ATOM 0 HD13 ILE A 62 83.027 41.875 -12.821 1.00 0.00 H new ATOM 971 N ASP A 63 86.429 45.468 -13.412 1.00 0.00 N ATOM 972 CA ASP A 63 86.154 46.806 -12.902 1.00 0.00 C ATOM 973 C ASP A 63 84.907 46.807 -12.022 1.00 0.00 C ATOM 974 O ASP A 63 83.877 46.238 -12.385 1.00 0.00 O ATOM 975 CB ASP A 63 85.976 47.790 -14.059 1.00 0.00 C ATOM 976 CG ASP A 63 86.999 48.909 -14.030 1.00 0.00 C ATOM 977 OD1 ASP A 63 88.191 48.617 -13.799 1.00 0.00 O ATOM 978 OD2 ASP A 63 86.608 50.076 -14.239 1.00 0.00 O ATOM 0 H ASP A 63 86.336 45.375 -14.423 1.00 0.00 H new ATOM 0 HA ASP A 63 87.005 47.119 -12.297 1.00 0.00 H new ATOM 0 HB2 ASP A 63 86.056 47.253 -15.004 1.00 0.00 H new ATOM 0 HB3 ASP A 63 84.974 48.217 -14.018 1.00 0.00 H new ATOM 983 N THR A 64 85.008 47.448 -10.861 1.00 0.00 N ATOM 984 CA THR A 64 83.891 47.520 -9.929 1.00 0.00 C ATOM 985 C THR A 64 83.381 48.950 -9.791 1.00 0.00 C ATOM 986 O THR A 64 82.186 49.178 -9.605 1.00 0.00 O ATOM 987 CB THR A 64 84.286 46.992 -8.537 1.00 0.00 C ATOM 988 OG1 THR A 64 85.712 46.991 -8.400 1.00 0.00 O ATOM 989 CG2 THR A 64 83.750 45.585 -8.319 1.00 0.00 C ATOM 0 H THR A 64 85.853 47.924 -10.545 1.00 0.00 H new ATOM 0 HA THR A 64 83.099 46.892 -10.337 1.00 0.00 H new ATOM 0 HB THR A 64 83.849 47.650 -7.786 1.00 0.00 H new ATOM 0 HG1 THR A 64 85.955 46.656 -7.512 1.00 0.00 H new ATOM 0 HG21 THR A 64 84.042 45.234 -7.329 1.00 0.00 H new ATOM 0 HG22 THR A 64 82.663 45.594 -8.395 1.00 0.00 H new ATOM 0 HG23 THR A 64 84.161 44.918 -9.077 1.00 0.00 H new ATOM 997 N SER A 65 84.295 49.911 -9.884 1.00 0.00 N ATOM 998 CA SER A 65 83.938 51.320 -9.767 1.00 0.00 C ATOM 999 C SER A 65 82.919 51.712 -10.832 1.00 0.00 C ATOM 1000 O SER A 65 82.135 52.643 -10.645 1.00 0.00 O ATOM 1001 CB SER A 65 85.186 52.196 -9.891 1.00 0.00 C ATOM 1002 OG SER A 65 86.256 51.479 -10.481 1.00 0.00 O ATOM 0 H SER A 65 85.288 49.739 -10.040 1.00 0.00 H new ATOM 0 HA SER A 65 83.490 51.476 -8.786 1.00 0.00 H new ATOM 0 HB2 SER A 65 84.958 53.076 -10.493 1.00 0.00 H new ATOM 0 HB3 SER A 65 85.483 52.553 -8.905 1.00 0.00 H new ATOM 0 HG SER A 65 87.041 52.061 -10.551 1.00 0.00 H new ATOM 1008 N PHE A 66 82.936 50.995 -11.951 1.00 0.00 N ATOM 1009 CA PHE A 66 82.015 51.268 -13.048 1.00 0.00 C ATOM 1010 C PHE A 66 80.603 50.808 -12.699 1.00 0.00 C ATOM 1011 O PHE A 66 79.619 51.344 -13.211 1.00 0.00 O ATOM 1012 CB PHE A 66 82.489 50.572 -14.325 1.00 0.00 C ATOM 1013 CG PHE A 66 82.740 51.518 -15.465 1.00 0.00 C ATOM 1014 CD1 PHE A 66 83.828 52.376 -15.445 1.00 0.00 C ATOM 1015 CD2 PHE A 66 81.889 51.548 -16.558 1.00 0.00 C ATOM 1016 CE1 PHE A 66 84.060 53.247 -16.492 1.00 0.00 C ATOM 1017 CE2 PHE A 66 82.116 52.417 -17.609 1.00 0.00 C ATOM 1018 CZ PHE A 66 83.204 53.267 -17.576 1.00 0.00 C ATOM 0 H PHE A 66 83.578 50.221 -12.122 1.00 0.00 H new ATOM 0 HA PHE A 66 81.997 52.345 -13.215 1.00 0.00 H new ATOM 0 HB2 PHE A 66 83.406 50.022 -14.111 1.00 0.00 H new ATOM 0 HB3 PHE A 66 81.741 49.839 -14.629 1.00 0.00 H new ATOM 0 HD1 PHE A 66 84.502 52.364 -14.601 1.00 0.00 H new ATOM 0 HD2 PHE A 66 81.038 50.884 -16.589 1.00 0.00 H new ATOM 0 HE1 PHE A 66 84.910 53.912 -16.463 1.00 0.00 H new ATOM 0 HE2 PHE A 66 81.444 52.431 -18.454 1.00 0.00 H new ATOM 0 HZ PHE A 66 83.385 53.946 -18.396 1.00 0.00 H new ATOM 1028 N PHE A 67 80.510 49.812 -11.825 1.00 0.00 N ATOM 1029 CA PHE A 67 79.219 49.278 -11.408 1.00 0.00 C ATOM 1030 C PHE A 67 78.942 49.606 -9.944 1.00 0.00 C ATOM 1031 O PHE A 67 78.218 48.881 -9.262 1.00 0.00 O ATOM 1032 CB PHE A 67 79.177 47.763 -11.620 1.00 0.00 C ATOM 1033 CG PHE A 67 79.662 47.333 -12.975 1.00 0.00 C ATOM 1034 CD1 PHE A 67 78.886 47.547 -14.103 1.00 0.00 C ATOM 1035 CD2 PHE A 67 80.893 46.715 -13.121 1.00 0.00 C ATOM 1036 CE1 PHE A 67 79.329 47.154 -15.351 1.00 0.00 C ATOM 1037 CE2 PHE A 67 81.342 46.320 -14.367 1.00 0.00 C ATOM 1038 CZ PHE A 67 80.558 46.538 -15.483 1.00 0.00 C ATOM 0 H PHE A 67 81.314 49.358 -11.391 1.00 0.00 H new ATOM 0 HA PHE A 67 78.446 49.745 -12.019 1.00 0.00 H new ATOM 0 HB2 PHE A 67 79.785 47.280 -10.855 1.00 0.00 H new ATOM 0 HB3 PHE A 67 78.154 47.413 -11.481 1.00 0.00 H new ATOM 0 HD1 PHE A 67 77.923 48.027 -14.005 1.00 0.00 H new ATOM 0 HD2 PHE A 67 81.509 46.540 -12.251 1.00 0.00 H new ATOM 0 HE1 PHE A 67 78.715 47.328 -16.222 1.00 0.00 H new ATOM 0 HE2 PHE A 67 82.305 45.841 -14.468 1.00 0.00 H new ATOM 0 HZ PHE A 67 80.905 46.227 -16.457 1.00 0.00 H new ATOM 1048 N GLN A 68 79.523 50.703 -9.469 1.00 0.00 N ATOM 1049 CA GLN A 68 79.340 51.126 -8.086 1.00 0.00 C ATOM 1050 C GLN A 68 78.120 52.032 -7.951 1.00 0.00 C ATOM 1051 O GLN A 68 77.468 52.059 -6.908 1.00 0.00 O ATOM 1052 CB GLN A 68 80.588 51.854 -7.584 1.00 0.00 C ATOM 1053 CG GLN A 68 80.749 53.253 -8.156 1.00 0.00 C ATOM 1054 CD GLN A 68 82.177 53.756 -8.075 1.00 0.00 C ATOM 1055 OE1 GLN A 68 82.999 53.210 -7.339 1.00 0.00 O ATOM 1056 NE2 GLN A 68 82.479 54.803 -8.834 1.00 0.00 N ATOM 0 H GLN A 68 80.124 51.315 -10.021 1.00 0.00 H new ATOM 0 HA GLN A 68 79.178 50.236 -7.478 1.00 0.00 H new ATOM 0 HB2 GLN A 68 80.548 51.918 -6.497 1.00 0.00 H new ATOM 0 HB3 GLN A 68 81.469 51.264 -7.837 1.00 0.00 H new ATOM 0 HG2 GLN A 68 80.426 53.255 -9.197 1.00 0.00 H new ATOM 0 HG3 GLN A 68 80.095 53.939 -7.618 1.00 0.00 H new ATOM 0 HE21 GLN A 68 81.766 55.224 -9.429 1.00 0.00 H new ATOM 0 HE22 GLN A 68 83.424 55.186 -8.822 1.00 0.00 H new ATOM 1065 N ASN A 69 77.819 52.772 -9.013 1.00 0.00 N ATOM 1066 CA ASN A 69 76.677 53.680 -9.012 1.00 0.00 C ATOM 1067 C ASN A 69 76.183 53.933 -10.433 1.00 0.00 C ATOM 1068 O ASN A 69 76.102 55.078 -10.878 1.00 0.00 O ATOM 1069 CB ASN A 69 77.054 55.005 -8.347 1.00 0.00 C ATOM 1070 CG ASN A 69 76.970 54.938 -6.835 1.00 0.00 C ATOM 1071 OD1 ASN A 69 77.984 54.799 -6.151 1.00 0.00 O ATOM 1072 ND2 ASN A 69 75.756 55.036 -6.305 1.00 0.00 N ATOM 0 H ASN A 69 78.349 52.761 -9.884 1.00 0.00 H new ATOM 0 HA ASN A 69 75.872 53.213 -8.444 1.00 0.00 H new ATOM 0 HB2 ASN A 69 78.067 55.280 -8.640 1.00 0.00 H new ATOM 0 HB3 ASN A 69 76.393 55.792 -8.710 1.00 0.00 H new ATOM 0 HD21 ASN A 69 75.637 54.997 -5.293 1.00 0.00 H new ATOM 0 HD22 ASN A 69 74.943 55.150 -6.910 1.00 0.00 H new ATOM 1079 N MET A 70 75.854 52.857 -11.140 1.00 0.00 N ATOM 1080 CA MET A 70 75.366 52.963 -12.510 1.00 0.00 C ATOM 1081 C MET A 70 73.889 52.590 -12.592 1.00 0.00 C ATOM 1082 O MET A 70 73.435 51.665 -11.918 1.00 0.00 O ATOM 1083 CB MET A 70 76.184 52.062 -13.437 1.00 0.00 C ATOM 1084 CG MET A 70 75.907 52.297 -14.913 1.00 0.00 C ATOM 1085 SD MET A 70 77.393 52.735 -15.837 1.00 0.00 S ATOM 1086 CE MET A 70 78.128 51.120 -16.081 1.00 0.00 C ATOM 0 H MET A 70 75.916 51.902 -10.787 1.00 0.00 H new ATOM 0 HA MET A 70 75.479 53.999 -12.830 1.00 0.00 H new ATOM 0 HB2 MET A 70 77.245 52.224 -13.245 1.00 0.00 H new ATOM 0 HB3 MET A 70 75.972 51.020 -13.197 1.00 0.00 H new ATOM 0 HG2 MET A 70 75.468 51.397 -15.344 1.00 0.00 H new ATOM 0 HG3 MET A 70 75.170 53.093 -15.018 1.00 0.00 H new ATOM 0 HE1 MET A 70 78.945 51.197 -16.798 1.00 0.00 H new ATOM 0 HE2 MET A 70 78.513 50.748 -15.131 1.00 0.00 H new ATOM 0 HE3 MET A 70 77.374 50.431 -16.462 1.00 0.00 H new ATOM 1096 N ASP A 71 73.145 53.314 -13.420 1.00 0.00 N ATOM 1097 CA ASP A 71 71.719 53.058 -13.590 1.00 0.00 C ATOM 1098 C ASP A 71 71.487 51.721 -14.287 1.00 0.00 C ATOM 1099 O ASP A 71 72.179 51.381 -15.245 1.00 0.00 O ATOM 1100 CB ASP A 71 71.069 54.186 -14.393 1.00 0.00 C ATOM 1101 CG ASP A 71 71.623 55.549 -14.029 1.00 0.00 C ATOM 1102 OD1 ASP A 71 72.631 55.962 -14.640 1.00 0.00 O ATOM 1103 OD2 ASP A 71 71.050 56.204 -13.134 1.00 0.00 O ATOM 0 H ASP A 71 73.505 54.083 -13.985 1.00 0.00 H new ATOM 0 HA ASP A 71 71.261 53.016 -12.602 1.00 0.00 H new ATOM 0 HB2 ASP A 71 71.224 54.006 -15.457 1.00 0.00 H new ATOM 0 HB3 ASP A 71 69.993 54.177 -14.221 1.00 0.00 H new ATOM 1108 N GLY A 72 70.508 50.967 -13.797 1.00 0.00 N ATOM 1109 CA GLY A 72 70.202 49.675 -14.384 1.00 0.00 C ATOM 1110 C GLY A 72 69.989 49.755 -15.883 1.00 0.00 C ATOM 1111 O GLY A 72 70.457 48.897 -16.631 1.00 0.00 O ATOM 0 H GLY A 72 69.921 51.227 -13.004 1.00 0.00 H new ATOM 0 HA2 GLY A 72 71.016 48.981 -14.172 1.00 0.00 H new ATOM 0 HA3 GLY A 72 69.306 49.269 -13.914 1.00 0.00 H new ATOM 1115 N LYS A 73 69.278 50.788 -16.323 1.00 0.00 N ATOM 1116 CA LYS A 73 69.002 50.978 -17.742 1.00 0.00 C ATOM 1117 C LYS A 73 70.298 51.122 -18.534 1.00 0.00 C ATOM 1118 O LYS A 73 70.386 50.689 -19.682 1.00 0.00 O ATOM 1119 CB LYS A 73 68.124 52.214 -17.951 1.00 0.00 C ATOM 1120 CG LYS A 73 66.782 51.905 -18.591 1.00 0.00 C ATOM 1121 CD LYS A 73 66.854 51.986 -20.106 1.00 0.00 C ATOM 1122 CE LYS A 73 65.468 52.064 -20.727 1.00 0.00 C ATOM 1123 NZ LYS A 73 65.122 53.452 -21.140 1.00 0.00 N ATOM 0 H LYS A 73 68.882 51.507 -15.717 1.00 0.00 H new ATOM 0 HA LYS A 73 68.471 50.098 -18.104 1.00 0.00 H new ATOM 0 HB2 LYS A 73 67.956 52.697 -16.988 1.00 0.00 H new ATOM 0 HB3 LYS A 73 68.660 52.928 -18.576 1.00 0.00 H new ATOM 0 HG2 LYS A 73 66.458 50.908 -18.294 1.00 0.00 H new ATOM 0 HG3 LYS A 73 66.033 52.606 -18.224 1.00 0.00 H new ATOM 0 HD2 LYS A 73 67.434 52.862 -20.397 1.00 0.00 H new ATOM 0 HD3 LYS A 73 67.379 51.113 -20.493 1.00 0.00 H new ATOM 0 HE2 LYS A 73 65.421 51.405 -21.594 1.00 0.00 H new ATOM 0 HE3 LYS A 73 64.729 51.703 -20.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 64.170 53.463 -21.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 65.142 54.077 -20.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 65.812 53.788 -21.842 1.00 0.00 H new ATOM 1137 N GLU A 74 71.302 51.732 -17.911 1.00 0.00 N ATOM 1138 CA GLU A 74 72.593 51.932 -18.559 1.00 0.00 C ATOM 1139 C GLU A 74 73.273 50.596 -18.841 1.00 0.00 C ATOM 1140 O GLU A 74 73.893 50.411 -19.889 1.00 0.00 O ATOM 1141 CB GLU A 74 73.498 52.803 -17.685 1.00 0.00 C ATOM 1142 CG GLU A 74 73.920 54.102 -18.349 1.00 0.00 C ATOM 1143 CD GLU A 74 75.232 54.635 -17.808 1.00 0.00 C ATOM 1144 OE1 GLU A 74 75.234 55.169 -16.679 1.00 0.00 O ATOM 1145 OE2 GLU A 74 76.256 54.519 -18.513 1.00 0.00 O ATOM 0 H GLU A 74 71.246 52.096 -16.960 1.00 0.00 H new ATOM 0 HA GLU A 74 72.419 52.439 -19.508 1.00 0.00 H new ATOM 0 HB2 GLU A 74 72.978 53.033 -16.755 1.00 0.00 H new ATOM 0 HB3 GLU A 74 74.389 52.234 -17.420 1.00 0.00 H new ATOM 0 HG2 GLU A 74 74.012 53.943 -19.423 1.00 0.00 H new ATOM 0 HG3 GLU A 74 73.141 54.850 -18.203 1.00 0.00 H new ATOM 1152 N LEU A 75 73.152 49.667 -17.899 1.00 0.00 N ATOM 1153 CA LEU A 75 73.755 48.346 -18.045 1.00 0.00 C ATOM 1154 C LEU A 75 73.342 47.702 -19.365 1.00 0.00 C ATOM 1155 O LEU A 75 74.101 46.931 -19.955 1.00 0.00 O ATOM 1156 CB LEU A 75 73.349 47.447 -16.876 1.00 0.00 C ATOM 1157 CG LEU A 75 74.469 47.048 -15.916 1.00 0.00 C ATOM 1158 CD1 LEU A 75 75.132 48.283 -15.326 1.00 0.00 C ATOM 1159 CD2 LEU A 75 73.931 46.151 -14.811 1.00 0.00 C ATOM 0 H LEU A 75 72.642 49.804 -17.026 1.00 0.00 H new ATOM 0 HA LEU A 75 74.838 48.466 -18.044 1.00 0.00 H new ATOM 0 HB2 LEU A 75 72.572 47.956 -16.305 1.00 0.00 H new ATOM 0 HB3 LEU A 75 72.903 46.538 -17.280 1.00 0.00 H new ATOM 0 HG LEU A 75 75.219 46.490 -16.476 1.00 0.00 H new ATOM 0 HD11 LEU A 75 75.927 47.979 -14.645 1.00 0.00 H new ATOM 0 HD12 LEU A 75 75.554 48.888 -16.129 1.00 0.00 H new ATOM 0 HD13 LEU A 75 74.391 48.868 -14.781 1.00 0.00 H new ATOM 0 HD21 LEU A 75 74.743 45.877 -14.137 1.00 0.00 H new ATOM 0 HD22 LEU A 75 73.160 46.683 -14.253 1.00 0.00 H new ATOM 0 HD23 LEU A 75 73.504 45.249 -15.250 1.00 0.00 H new ATOM 1171 N CYS A 76 72.138 48.024 -19.823 1.00 0.00 N ATOM 1172 CA CYS A 76 71.624 47.478 -21.074 1.00 0.00 C ATOM 1173 C CYS A 76 72.275 48.161 -22.273 1.00 0.00 C ATOM 1174 O CYS A 76 72.633 47.509 -23.254 1.00 0.00 O ATOM 1175 CB CYS A 76 70.105 47.641 -21.141 1.00 0.00 C ATOM 1176 SG CYS A 76 69.233 47.039 -19.676 1.00 0.00 S ATOM 0 H CYS A 76 71.499 48.661 -19.347 1.00 0.00 H new ATOM 0 HA CYS A 76 71.869 46.416 -21.106 1.00 0.00 H new ATOM 0 HB2 CYS A 76 69.869 48.696 -21.283 1.00 0.00 H new ATOM 0 HB3 CYS A 76 69.732 47.110 -22.017 1.00 0.00 H new ATOM 0 HG CYS A 76 67.955 47.222 -19.826 1.00 0.00 H new ATOM 1182 N LYS A 77 72.423 49.478 -22.188 1.00 0.00 N ATOM 1183 CA LYS A 77 73.029 50.252 -23.265 1.00 0.00 C ATOM 1184 C LYS A 77 74.456 49.784 -23.534 1.00 0.00 C ATOM 1185 O LYS A 77 74.954 49.895 -24.654 1.00 0.00 O ATOM 1186 CB LYS A 77 73.028 51.741 -22.914 1.00 0.00 C ATOM 1187 CG LYS A 77 71.643 52.365 -22.915 1.00 0.00 C ATOM 1188 CD LYS A 77 71.606 53.643 -22.094 1.00 0.00 C ATOM 1189 CE LYS A 77 70.645 54.661 -22.689 1.00 0.00 C ATOM 1190 NZ LYS A 77 69.412 54.805 -21.868 1.00 0.00 N ATOM 0 H LYS A 77 72.131 50.033 -21.383 1.00 0.00 H new ATOM 0 HA LYS A 77 72.437 50.097 -24.167 1.00 0.00 H new ATOM 0 HB2 LYS A 77 73.477 51.874 -21.930 1.00 0.00 H new ATOM 0 HB3 LYS A 77 73.658 52.274 -23.626 1.00 0.00 H new ATOM 0 HG2 LYS A 77 71.341 52.581 -23.940 1.00 0.00 H new ATOM 0 HG3 LYS A 77 70.922 51.653 -22.514 1.00 0.00 H new ATOM 0 HD2 LYS A 77 71.305 53.412 -21.072 1.00 0.00 H new ATOM 0 HD3 LYS A 77 72.606 54.073 -22.042 1.00 0.00 H new ATOM 0 HE2 LYS A 77 71.143 55.627 -22.769 1.00 0.00 H new ATOM 0 HE3 LYS A 77 70.375 54.357 -23.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 68.783 55.507 -22.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 68.923 53.889 -21.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 69.667 55.119 -20.910 1.00 0.00 H new ATOM 1204 N MET A 78 75.107 49.259 -22.501 1.00 0.00 N ATOM 1205 CA MET A 78 76.475 48.771 -22.629 1.00 0.00 C ATOM 1206 C MET A 78 76.550 47.613 -23.618 1.00 0.00 C ATOM 1207 O MET A 78 76.010 46.536 -23.368 1.00 0.00 O ATOM 1208 CB MET A 78 77.010 48.329 -21.266 1.00 0.00 C ATOM 1209 CG MET A 78 77.096 49.457 -20.251 1.00 0.00 C ATOM 1210 SD MET A 78 78.189 49.069 -18.871 1.00 0.00 S ATOM 1211 CE MET A 78 79.776 49.016 -19.700 1.00 0.00 C ATOM 0 H MET A 78 74.709 49.161 -21.567 1.00 0.00 H new ATOM 0 HA MET A 78 77.091 49.587 -23.007 1.00 0.00 H new ATOM 0 HB2 MET A 78 76.367 47.543 -20.870 1.00 0.00 H new ATOM 0 HB3 MET A 78 78.001 47.894 -21.398 1.00 0.00 H new ATOM 0 HG2 MET A 78 77.451 50.360 -20.747 1.00 0.00 H new ATOM 0 HG3 MET A 78 76.098 49.674 -19.869 1.00 0.00 H new ATOM 0 HE1 MET A 78 80.573 48.981 -18.958 1.00 0.00 H new ATOM 0 HE2 MET A 78 79.828 48.128 -20.330 1.00 0.00 H new ATOM 0 HE3 MET A 78 79.894 49.906 -20.318 1.00 0.00 H new ATOM 1221 N ASN A 79 77.222 47.842 -24.741 1.00 0.00 N ATOM 1222 CA ASN A 79 77.366 46.816 -25.769 1.00 0.00 C ATOM 1223 C ASN A 79 78.639 46.004 -25.552 1.00 0.00 C ATOM 1224 O ASN A 79 79.400 46.259 -24.618 1.00 0.00 O ATOM 1225 CB ASN A 79 77.385 47.456 -27.158 1.00 0.00 C ATOM 1226 CG ASN A 79 75.992 47.654 -27.724 1.00 0.00 C ATOM 1227 OD1 ASN A 79 75.172 46.736 -27.720 1.00 0.00 O ATOM 1228 ND2 ASN A 79 75.718 48.858 -28.214 1.00 0.00 N ATOM 0 H ASN A 79 77.676 48.728 -24.963 1.00 0.00 H new ATOM 0 HA ASN A 79 76.511 46.143 -25.699 1.00 0.00 H new ATOM 0 HB2 ASN A 79 77.892 48.419 -27.104 1.00 0.00 H new ATOM 0 HB3 ASN A 79 77.964 46.829 -27.836 1.00 0.00 H new ATOM 0 HD21 ASN A 79 74.797 49.051 -28.608 1.00 0.00 H new ATOM 0 HD22 ASN A 79 76.429 49.590 -28.197 1.00 0.00 H new ATOM 1235 N LYS A 80 78.865 45.026 -26.423 1.00 0.00 N ATOM 1236 CA LYS A 80 80.047 44.177 -26.330 1.00 0.00 C ATOM 1237 C LYS A 80 81.318 45.019 -26.268 1.00 0.00 C ATOM 1238 O LYS A 80 82.307 44.620 -25.654 1.00 0.00 O ATOM 1239 CB LYS A 80 80.111 43.225 -27.526 1.00 0.00 C ATOM 1240 CG LYS A 80 81.120 42.102 -27.356 1.00 0.00 C ATOM 1241 CD LYS A 80 80.466 40.841 -26.817 1.00 0.00 C ATOM 1242 CE LYS A 80 80.720 39.649 -27.726 1.00 0.00 C ATOM 1243 NZ LYS A 80 79.818 39.652 -28.911 1.00 0.00 N ATOM 0 H LYS A 80 78.245 44.802 -27.201 1.00 0.00 H new ATOM 0 HA LYS A 80 79.974 43.593 -25.412 1.00 0.00 H new ATOM 0 HB2 LYS A 80 79.124 42.793 -27.689 1.00 0.00 H new ATOM 0 HB3 LYS A 80 80.362 43.795 -28.421 1.00 0.00 H new ATOM 0 HG2 LYS A 80 81.591 41.887 -28.315 1.00 0.00 H new ATOM 0 HG3 LYS A 80 81.910 42.422 -26.677 1.00 0.00 H new ATOM 0 HD2 LYS A 80 80.851 40.628 -25.820 1.00 0.00 H new ATOM 0 HD3 LYS A 80 79.392 41.001 -26.717 1.00 0.00 H new ATOM 0 HE2 LYS A 80 81.758 39.661 -28.060 1.00 0.00 H new ATOM 0 HE3 LYS A 80 80.577 38.726 -27.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 80.023 38.824 -29.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 78.828 39.614 -28.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 79.972 40.520 -29.462 1.00 0.00 H new ATOM 1257 N GLU A 81 81.283 46.184 -26.906 1.00 0.00 N ATOM 1258 CA GLU A 81 82.432 47.081 -26.922 1.00 0.00 C ATOM 1259 C GLU A 81 82.545 47.845 -25.606 1.00 0.00 C ATOM 1260 O GLU A 81 83.603 47.867 -24.977 1.00 0.00 O ATOM 1261 CB GLU A 81 82.323 48.066 -28.088 1.00 0.00 C ATOM 1262 CG GLU A 81 82.055 47.398 -29.426 1.00 0.00 C ATOM 1263 CD GLU A 81 82.535 48.229 -30.600 1.00 0.00 C ATOM 1264 OE1 GLU A 81 82.691 49.456 -30.432 1.00 0.00 O ATOM 1265 OE2 GLU A 81 82.753 47.653 -31.686 1.00 0.00 O ATOM 0 H GLU A 81 80.471 46.529 -27.419 1.00 0.00 H new ATOM 0 HA GLU A 81 83.330 46.476 -27.049 1.00 0.00 H new ATOM 0 HB2 GLU A 81 81.523 48.776 -27.879 1.00 0.00 H new ATOM 0 HB3 GLU A 81 83.248 48.639 -28.156 1.00 0.00 H new ATOM 0 HG2 GLU A 81 82.548 46.426 -29.448 1.00 0.00 H new ATOM 0 HG3 GLU A 81 80.985 47.215 -29.529 1.00 0.00 H new ATOM 1272 N ASP A 82 81.447 48.470 -25.196 1.00 0.00 N ATOM 1273 CA ASP A 82 81.420 49.234 -23.954 1.00 0.00 C ATOM 1274 C ASP A 82 81.909 48.387 -22.784 1.00 0.00 C ATOM 1275 O ASP A 82 82.705 48.843 -21.963 1.00 0.00 O ATOM 1276 CB ASP A 82 80.006 49.746 -23.675 1.00 0.00 C ATOM 1277 CG ASP A 82 79.554 50.780 -24.687 1.00 0.00 C ATOM 1278 OD1 ASP A 82 80.029 51.932 -24.610 1.00 0.00 O ATOM 1279 OD2 ASP A 82 78.725 50.438 -25.556 1.00 0.00 O ATOM 0 H ASP A 82 80.563 48.463 -25.706 1.00 0.00 H new ATOM 0 HA ASP A 82 82.090 50.086 -24.066 1.00 0.00 H new ATOM 0 HB2 ASP A 82 79.311 48.907 -23.683 1.00 0.00 H new ATOM 0 HB3 ASP A 82 79.971 50.180 -22.676 1.00 0.00 H new ATOM 1284 N PHE A 83 81.425 47.151 -22.712 1.00 0.00 N ATOM 1285 CA PHE A 83 81.810 46.240 -21.640 1.00 0.00 C ATOM 1286 C PHE A 83 83.276 45.837 -21.770 1.00 0.00 C ATOM 1287 O PHE A 83 83.977 45.670 -20.771 1.00 0.00 O ATOM 1288 CB PHE A 83 80.923 44.994 -21.658 1.00 0.00 C ATOM 1289 CG PHE A 83 79.703 45.114 -20.790 1.00 0.00 C ATOM 1290 CD1 PHE A 83 79.821 45.419 -19.444 1.00 0.00 C ATOM 1291 CD2 PHE A 83 78.438 44.923 -21.321 1.00 0.00 C ATOM 1292 CE1 PHE A 83 78.701 45.531 -18.643 1.00 0.00 C ATOM 1293 CE2 PHE A 83 77.313 45.034 -20.525 1.00 0.00 C ATOM 1294 CZ PHE A 83 77.445 45.337 -19.184 1.00 0.00 C ATOM 0 H PHE A 83 80.766 46.757 -23.383 1.00 0.00 H new ATOM 0 HA PHE A 83 81.677 46.758 -20.690 1.00 0.00 H new ATOM 0 HB2 PHE A 83 80.611 44.794 -22.683 1.00 0.00 H new ATOM 0 HB3 PHE A 83 81.509 44.136 -21.330 1.00 0.00 H new ATOM 0 HD1 PHE A 83 80.801 45.571 -19.015 1.00 0.00 H new ATOM 0 HD2 PHE A 83 78.329 44.685 -22.369 1.00 0.00 H new ATOM 0 HE1 PHE A 83 78.807 45.770 -17.595 1.00 0.00 H new ATOM 0 HE2 PHE A 83 76.332 44.884 -20.951 1.00 0.00 H new ATOM 0 HZ PHE A 83 76.568 45.422 -18.560 1.00 0.00 H new ATOM 1304 N LEU A 84 83.733 45.681 -23.008 1.00 0.00 N ATOM 1305 CA LEU A 84 85.115 45.296 -23.271 1.00 0.00 C ATOM 1306 C LEU A 84 86.085 46.327 -22.701 1.00 0.00 C ATOM 1307 O LEU A 84 87.206 45.993 -22.318 1.00 0.00 O ATOM 1308 CB LEU A 84 85.345 45.140 -24.775 1.00 0.00 C ATOM 1309 CG LEU A 84 85.120 43.740 -25.347 1.00 0.00 C ATOM 1310 CD1 LEU A 84 84.996 43.795 -26.861 1.00 0.00 C ATOM 1311 CD2 LEU A 84 86.250 42.808 -24.936 1.00 0.00 C ATOM 0 H LEU A 84 83.166 45.815 -23.845 1.00 0.00 H new ATOM 0 HA LEU A 84 85.299 44.340 -22.781 1.00 0.00 H new ATOM 0 HB2 LEU A 84 84.686 45.834 -25.297 1.00 0.00 H new ATOM 0 HB3 LEU A 84 86.368 45.442 -24.999 1.00 0.00 H new ATOM 0 HG LEU A 84 84.187 43.349 -24.941 1.00 0.00 H new ATOM 0 HD11 LEU A 84 84.836 42.789 -27.250 1.00 0.00 H new ATOM 0 HD12 LEU A 84 84.152 44.428 -27.134 1.00 0.00 H new ATOM 0 HD13 LEU A 84 85.911 44.207 -27.286 1.00 0.00 H new ATOM 0 HD21 LEU A 84 86.073 41.816 -25.352 1.00 0.00 H new ATOM 0 HD22 LEU A 84 87.197 43.196 -25.312 1.00 0.00 H new ATOM 0 HD23 LEU A 84 86.291 42.743 -23.849 1.00 0.00 H new ATOM 1323 N ARG A 85 85.644 47.579 -22.646 1.00 0.00 N ATOM 1324 CA ARG A 85 86.473 48.658 -22.122 1.00 0.00 C ATOM 1325 C ARG A 85 86.588 48.567 -20.603 1.00 0.00 C ATOM 1326 O ARG A 85 87.563 49.033 -20.016 1.00 0.00 O ATOM 1327 CB ARG A 85 85.890 50.016 -22.520 1.00 0.00 C ATOM 1328 CG ARG A 85 86.211 50.421 -23.949 1.00 0.00 C ATOM 1329 CD ARG A 85 85.656 51.799 -24.275 1.00 0.00 C ATOM 1330 NE ARG A 85 86.203 52.328 -25.522 1.00 0.00 N ATOM 1331 CZ ARG A 85 85.790 51.947 -26.725 1.00 0.00 C ATOM 1332 NH1 ARG A 85 84.831 51.038 -26.844 1.00 0.00 N ATOM 1333 NH2 ARG A 85 86.336 52.474 -27.814 1.00 0.00 N ATOM 0 H ARG A 85 84.718 47.871 -22.958 1.00 0.00 H new ATOM 0 HA ARG A 85 87.470 48.558 -22.551 1.00 0.00 H new ATOM 0 HB2 ARG A 85 84.808 49.988 -22.394 1.00 0.00 H new ATOM 0 HB3 ARG A 85 86.271 50.779 -21.841 1.00 0.00 H new ATOM 0 HG2 ARG A 85 87.291 50.419 -24.095 1.00 0.00 H new ATOM 0 HG3 ARG A 85 85.794 49.687 -24.639 1.00 0.00 H new ATOM 0 HD2 ARG A 85 84.570 51.744 -24.350 1.00 0.00 H new ATOM 0 HD3 ARG A 85 85.885 52.484 -23.459 1.00 0.00 H new ATOM 0 HE ARG A 85 86.943 53.028 -25.465 1.00 0.00 H new ATOM 0 HH11 ARG A 85 84.409 50.630 -26.010 1.00 0.00 H new ATOM 0 HH12 ARG A 85 84.516 50.747 -27.770 1.00 0.00 H new ATOM 0 HH21 ARG A 85 87.074 53.173 -27.727 1.00 0.00 H new ATOM 0 HH22 ARG A 85 86.018 52.180 -28.737 1.00 0.00 H new ATOM 1347 N ALA A 86 85.584 47.964 -19.974 1.00 0.00 N ATOM 1348 CA ALA A 86 85.574 47.810 -18.525 1.00 0.00 C ATOM 1349 C ALA A 86 86.249 46.508 -18.106 1.00 0.00 C ATOM 1350 O ALA A 86 87.020 46.477 -17.146 1.00 0.00 O ATOM 1351 CB ALA A 86 84.146 47.860 -18.000 1.00 0.00 C ATOM 0 H ALA A 86 84.768 47.575 -20.445 1.00 0.00 H new ATOM 0 HA ALA A 86 86.138 48.636 -18.092 1.00 0.00 H new ATOM 0 HB1 ALA A 86 84.153 47.744 -16.916 1.00 0.00 H new ATOM 0 HB2 ALA A 86 83.696 48.818 -18.259 1.00 0.00 H new ATOM 0 HB3 ALA A 86 83.565 47.054 -18.448 1.00 0.00 H new ATOM 1357 N THR A 87 85.953 45.434 -18.831 1.00 0.00 N ATOM 1358 CA THR A 87 86.530 44.129 -18.533 1.00 0.00 C ATOM 1359 C THR A 87 86.865 43.371 -19.813 1.00 0.00 C ATOM 1360 O THR A 87 86.532 43.812 -20.914 1.00 0.00 O ATOM 1361 CB THR A 87 85.575 43.275 -17.679 1.00 0.00 C ATOM 1362 OG1 THR A 87 86.247 42.094 -17.225 1.00 0.00 O ATOM 1363 CG2 THR A 87 84.338 42.886 -18.474 1.00 0.00 C ATOM 0 H THR A 87 85.317 45.442 -19.629 1.00 0.00 H new ATOM 0 HA THR A 87 87.446 44.309 -17.970 1.00 0.00 H new ATOM 0 HB THR A 87 85.263 43.869 -16.820 1.00 0.00 H new ATOM 0 HG1 THR A 87 86.807 42.313 -16.452 1.00 0.00 H new ATOM 0 HG21 THR A 87 83.679 42.283 -17.849 1.00 0.00 H new ATOM 0 HG22 THR A 87 83.813 43.786 -18.793 1.00 0.00 H new ATOM 0 HG23 THR A 87 84.635 42.309 -19.350 1.00 0.00 H new ATOM 1371 N THR A 88 87.524 42.226 -19.662 1.00 0.00 N ATOM 1372 CA THR A 88 87.904 41.407 -20.806 1.00 0.00 C ATOM 1373 C THR A 88 86.687 40.729 -21.425 1.00 0.00 C ATOM 1374 O THR A 88 85.635 40.620 -20.792 1.00 0.00 O ATOM 1375 CB THR A 88 88.931 40.329 -20.408 1.00 0.00 C ATOM 1376 OG1 THR A 88 88.295 39.311 -19.628 1.00 0.00 O ATOM 1377 CG2 THR A 88 90.077 40.940 -19.617 1.00 0.00 C ATOM 0 H THR A 88 87.805 41.845 -18.759 1.00 0.00 H new ATOM 0 HA THR A 88 88.355 42.076 -21.538 1.00 0.00 H new ATOM 0 HB THR A 88 89.334 39.888 -21.320 1.00 0.00 H new ATOM 0 HG1 THR A 88 88.954 38.629 -19.381 1.00 0.00 H new ATOM 0 HG21 THR A 88 90.789 40.160 -19.347 1.00 0.00 H new ATOM 0 HG22 THR A 88 90.577 41.694 -20.225 1.00 0.00 H new ATOM 0 HG23 THR A 88 89.687 41.404 -18.711 1.00 0.00 H new ATOM 1385 N LEU A 89 86.836 40.274 -22.664 1.00 0.00 N ATOM 1386 CA LEU A 89 85.748 39.605 -23.369 1.00 0.00 C ATOM 1387 C LEU A 89 85.265 38.384 -22.593 1.00 0.00 C ATOM 1388 O LEU A 89 84.065 38.121 -22.512 1.00 0.00 O ATOM 1389 CB LEU A 89 86.202 39.187 -24.768 1.00 0.00 C ATOM 1390 CG LEU A 89 85.120 38.604 -25.679 1.00 0.00 C ATOM 1391 CD1 LEU A 89 84.568 39.675 -26.606 1.00 0.00 C ATOM 1392 CD2 LEU A 89 85.672 37.434 -26.481 1.00 0.00 C ATOM 0 H LEU A 89 87.699 40.356 -23.201 1.00 0.00 H new ATOM 0 HA LEU A 89 84.919 40.307 -23.457 1.00 0.00 H new ATOM 0 HB2 LEU A 89 86.635 40.056 -25.262 1.00 0.00 H new ATOM 0 HB3 LEU A 89 86.998 38.449 -24.665 1.00 0.00 H new ATOM 0 HG LEU A 89 84.305 38.238 -25.055 1.00 0.00 H new ATOM 0 HD11 LEU A 89 83.800 39.241 -27.246 1.00 0.00 H new ATOM 0 HD12 LEU A 89 84.134 40.481 -26.014 1.00 0.00 H new ATOM 0 HD13 LEU A 89 85.374 40.072 -27.224 1.00 0.00 H new ATOM 0 HD21 LEU A 89 84.889 37.032 -27.123 1.00 0.00 H new ATOM 0 HD22 LEU A 89 86.506 37.775 -27.095 1.00 0.00 H new ATOM 0 HD23 LEU A 89 86.017 36.657 -25.800 1.00 0.00 H new ATOM 1404 N TYR A 90 86.208 37.642 -22.021 1.00 0.00 N ATOM 1405 CA TYR A 90 85.879 36.449 -21.251 1.00 0.00 C ATOM 1406 C TYR A 90 84.835 36.760 -20.183 1.00 0.00 C ATOM 1407 O TYR A 90 83.979 35.931 -19.876 1.00 0.00 O ATOM 1408 CB TYR A 90 87.137 35.875 -20.598 1.00 0.00 C ATOM 1409 CG TYR A 90 86.871 34.668 -19.726 1.00 0.00 C ATOM 1410 CD1 TYR A 90 86.492 34.817 -18.398 1.00 0.00 C ATOM 1411 CD2 TYR A 90 86.998 33.380 -20.231 1.00 0.00 C ATOM 1412 CE1 TYR A 90 86.248 33.717 -17.597 1.00 0.00 C ATOM 1413 CE2 TYR A 90 86.755 32.275 -19.439 1.00 0.00 C ATOM 1414 CZ TYR A 90 86.381 32.449 -18.122 1.00 0.00 C ATOM 1415 OH TYR A 90 86.139 31.350 -17.329 1.00 0.00 O ATOM 0 H TYR A 90 87.206 37.846 -22.077 1.00 0.00 H new ATOM 0 HA TYR A 90 85.463 35.710 -21.935 1.00 0.00 H new ATOM 0 HB2 TYR A 90 87.847 35.600 -21.378 1.00 0.00 H new ATOM 0 HB3 TYR A 90 87.610 36.651 -19.996 1.00 0.00 H new ATOM 0 HD1 TYR A 90 86.386 35.809 -17.984 1.00 0.00 H new ATOM 0 HD2 TYR A 90 87.292 33.240 -21.261 1.00 0.00 H new ATOM 0 HE1 TYR A 90 85.955 33.850 -16.566 1.00 0.00 H new ATOM 0 HE2 TYR A 90 86.857 31.281 -19.848 1.00 0.00 H new ATOM 0 HH TYR A 90 86.276 30.533 -17.852 1.00 0.00 H new ATOM 1425 N ASN A 91 84.913 37.962 -19.621 1.00 0.00 N ATOM 1426 CA ASN A 91 83.975 38.384 -18.587 1.00 0.00 C ATOM 1427 C ASN A 91 82.733 39.019 -19.205 1.00 0.00 C ATOM 1428 O ASN A 91 81.611 38.777 -18.760 1.00 0.00 O ATOM 1429 CB ASN A 91 84.647 39.375 -17.634 1.00 0.00 C ATOM 1430 CG ASN A 91 85.503 38.683 -16.590 1.00 0.00 C ATOM 1431 OD1 ASN A 91 85.499 37.457 -16.481 1.00 0.00 O ATOM 1432 ND2 ASN A 91 86.243 39.469 -15.816 1.00 0.00 N ATOM 0 H ASN A 91 85.616 38.660 -19.864 1.00 0.00 H new ATOM 0 HA ASN A 91 83.669 37.501 -18.027 1.00 0.00 H new ATOM 0 HB2 ASN A 91 85.266 40.065 -18.208 1.00 0.00 H new ATOM 0 HB3 ASN A 91 83.883 39.971 -17.136 1.00 0.00 H new ATOM 0 HD21 ASN A 91 86.839 39.061 -15.096 1.00 0.00 H new ATOM 0 HD22 ASN A 91 86.215 40.481 -15.942 1.00 0.00 H new ATOM 1439 N THR A 92 82.942 39.833 -20.236 1.00 0.00 N ATOM 1440 CA THR A 92 81.841 40.503 -20.916 1.00 0.00 C ATOM 1441 C THR A 92 80.823 39.496 -21.439 1.00 0.00 C ATOM 1442 O THR A 92 79.616 39.701 -21.321 1.00 0.00 O ATOM 1443 CB THR A 92 82.345 41.363 -22.089 1.00 0.00 C ATOM 1444 OG1 THR A 92 83.246 42.367 -21.609 1.00 0.00 O ATOM 1445 CG2 THR A 92 81.183 42.023 -22.816 1.00 0.00 C ATOM 0 H THR A 92 83.864 40.044 -20.618 1.00 0.00 H new ATOM 0 HA THR A 92 81.363 41.150 -20.181 1.00 0.00 H new ATOM 0 HB THR A 92 82.867 40.711 -22.789 1.00 0.00 H new ATOM 0 HG1 THR A 92 84.109 41.956 -21.394 1.00 0.00 H new ATOM 0 HG21 THR A 92 81.565 42.625 -23.641 1.00 0.00 H new ATOM 0 HG22 THR A 92 80.515 41.255 -23.206 1.00 0.00 H new ATOM 0 HG23 THR A 92 80.636 42.662 -22.123 1.00 0.00 H new ATOM 1453 N GLU A 93 81.319 38.406 -22.018 1.00 0.00 N ATOM 1454 CA GLU A 93 80.451 37.367 -22.559 1.00 0.00 C ATOM 1455 C GLU A 93 79.608 36.734 -21.457 1.00 0.00 C ATOM 1456 O GLU A 93 78.490 36.279 -21.699 1.00 0.00 O ATOM 1457 CB GLU A 93 81.283 36.292 -23.262 1.00 0.00 C ATOM 1458 CG GLU A 93 81.970 36.783 -24.525 1.00 0.00 C ATOM 1459 CD GLU A 93 81.776 35.842 -25.698 1.00 0.00 C ATOM 1460 OE1 GLU A 93 82.574 34.890 -25.832 1.00 0.00 O ATOM 1461 OE2 GLU A 93 80.828 36.056 -26.481 1.00 0.00 O ATOM 0 H GLU A 93 82.316 38.220 -22.124 1.00 0.00 H new ATOM 0 HA GLU A 93 79.781 37.830 -23.284 1.00 0.00 H new ATOM 0 HB2 GLU A 93 82.038 35.918 -22.570 1.00 0.00 H new ATOM 0 HB3 GLU A 93 80.637 35.451 -23.514 1.00 0.00 H new ATOM 0 HG2 GLU A 93 81.582 37.768 -24.786 1.00 0.00 H new ATOM 0 HG3 GLU A 93 83.036 36.902 -24.332 1.00 0.00 H new ATOM 1468 N VAL A 94 80.152 36.707 -20.244 1.00 0.00 N ATOM 1469 CA VAL A 94 79.451 36.131 -19.104 1.00 0.00 C ATOM 1470 C VAL A 94 78.445 37.117 -18.521 1.00 0.00 C ATOM 1471 O VAL A 94 77.456 36.720 -17.903 1.00 0.00 O ATOM 1472 CB VAL A 94 80.434 35.704 -17.997 1.00 0.00 C ATOM 1473 CG1 VAL A 94 79.683 35.108 -16.816 1.00 0.00 C ATOM 1474 CG2 VAL A 94 81.455 34.717 -18.544 1.00 0.00 C ATOM 0 H VAL A 94 81.077 37.078 -20.026 1.00 0.00 H new ATOM 0 HA VAL A 94 78.923 35.251 -19.470 1.00 0.00 H new ATOM 0 HB VAL A 94 80.968 36.588 -17.648 1.00 0.00 H new ATOM 0 HG11 VAL A 94 80.394 34.812 -16.044 1.00 0.00 H new ATOM 0 HG12 VAL A 94 78.995 35.850 -16.410 1.00 0.00 H new ATOM 0 HG13 VAL A 94 79.121 34.234 -17.146 1.00 0.00 H new ATOM 0 HG21 VAL A 94 82.142 34.426 -17.749 1.00 0.00 H new ATOM 0 HG22 VAL A 94 80.941 33.833 -18.921 1.00 0.00 H new ATOM 0 HG23 VAL A 94 82.015 35.184 -19.354 1.00 0.00 H new ATOM 1484 N LEU A 95 78.702 38.404 -18.723 1.00 0.00 N ATOM 1485 CA LEU A 95 77.817 39.449 -18.219 1.00 0.00 C ATOM 1486 C LEU A 95 76.671 39.709 -19.191 1.00 0.00 C ATOM 1487 O LEU A 95 75.500 39.553 -18.842 1.00 0.00 O ATOM 1488 CB LEU A 95 78.604 40.740 -17.984 1.00 0.00 C ATOM 1489 CG LEU A 95 79.750 40.653 -16.976 1.00 0.00 C ATOM 1490 CD1 LEU A 95 80.821 41.685 -17.295 1.00 0.00 C ATOM 1491 CD2 LEU A 95 79.230 40.843 -15.558 1.00 0.00 C ATOM 0 H LEU A 95 79.516 38.750 -19.232 1.00 0.00 H new ATOM 0 HA LEU A 95 77.396 39.109 -17.273 1.00 0.00 H new ATOM 0 HB2 LEU A 95 79.011 41.073 -18.939 1.00 0.00 H new ATOM 0 HB3 LEU A 95 77.909 41.510 -17.648 1.00 0.00 H new ATOM 0 HG LEU A 95 80.196 39.661 -17.048 1.00 0.00 H new ATOM 0 HD11 LEU A 95 81.629 41.608 -16.567 1.00 0.00 H new ATOM 0 HD12 LEU A 95 81.215 41.503 -18.295 1.00 0.00 H new ATOM 0 HD13 LEU A 95 80.388 42.684 -17.252 1.00 0.00 H new ATOM 0 HD21 LEU A 95 80.060 40.778 -14.854 1.00 0.00 H new ATOM 0 HD22 LEU A 95 78.757 41.821 -15.472 1.00 0.00 H new ATOM 0 HD23 LEU A 95 78.500 40.066 -15.331 1.00 0.00 H new ATOM 1503 N LEU A 96 77.015 40.103 -20.412 1.00 0.00 N ATOM 1504 CA LEU A 96 76.015 40.381 -21.436 1.00 0.00 C ATOM 1505 C LEU A 96 75.051 39.209 -21.590 1.00 0.00 C ATOM 1506 O LEU A 96 73.837 39.397 -21.664 1.00 0.00 O ATOM 1507 CB LEU A 96 76.695 40.676 -22.775 1.00 0.00 C ATOM 1508 CG LEU A 96 76.354 42.019 -23.420 1.00 0.00 C ATOM 1509 CD1 LEU A 96 77.251 42.278 -24.621 1.00 0.00 C ATOM 1510 CD2 LEU A 96 74.888 42.057 -23.829 1.00 0.00 C ATOM 0 H LEU A 96 77.979 40.237 -20.717 1.00 0.00 H new ATOM 0 HA LEU A 96 75.446 41.256 -21.123 1.00 0.00 H new ATOM 0 HB2 LEU A 96 77.774 40.629 -22.629 1.00 0.00 H new ATOM 0 HB3 LEU A 96 76.433 39.883 -23.475 1.00 0.00 H new ATOM 0 HG LEU A 96 76.527 42.807 -22.687 1.00 0.00 H new ATOM 0 HD11 LEU A 96 76.993 43.239 -25.067 1.00 0.00 H new ATOM 0 HD12 LEU A 96 78.293 42.294 -24.300 1.00 0.00 H new ATOM 0 HD13 LEU A 96 77.111 41.487 -25.357 1.00 0.00 H new ATOM 0 HD21 LEU A 96 74.663 43.020 -24.286 1.00 0.00 H new ATOM 0 HD22 LEU A 96 74.689 41.260 -24.545 1.00 0.00 H new ATOM 0 HD23 LEU A 96 74.261 41.918 -22.948 1.00 0.00 H new ATOM 1522 N SER A 97 75.600 38.000 -21.634 1.00 0.00 N ATOM 1523 CA SER A 97 74.790 36.797 -21.779 1.00 0.00 C ATOM 1524 C SER A 97 73.793 36.671 -20.631 1.00 0.00 C ATOM 1525 O SER A 97 72.607 36.422 -20.847 1.00 0.00 O ATOM 1526 CB SER A 97 75.684 35.557 -21.832 1.00 0.00 C ATOM 1527 OG SER A 97 74.913 34.378 -21.994 1.00 0.00 O ATOM 0 H SER A 97 76.603 37.827 -21.571 1.00 0.00 H new ATOM 0 HA SER A 97 74.234 36.875 -22.713 1.00 0.00 H new ATOM 0 HB2 SER A 97 76.391 35.649 -22.657 1.00 0.00 H new ATOM 0 HB3 SER A 97 76.271 35.488 -20.916 1.00 0.00 H new ATOM 0 HG SER A 97 75.508 33.600 -22.026 1.00 0.00 H new ATOM 1533 N HIS A 98 74.285 36.844 -19.408 1.00 0.00 N ATOM 1534 CA HIS A 98 73.439 36.751 -18.224 1.00 0.00 C ATOM 1535 C HIS A 98 72.307 37.772 -18.282 1.00 0.00 C ATOM 1536 O HIS A 98 71.134 37.424 -18.142 1.00 0.00 O ATOM 1537 CB HIS A 98 74.270 36.966 -16.959 1.00 0.00 C ATOM 1538 CG HIS A 98 73.651 36.379 -15.728 1.00 0.00 C ATOM 1539 ND1 HIS A 98 72.336 36.593 -15.372 1.00 0.00 N ATOM 1540 CD2 HIS A 98 74.173 35.579 -14.769 1.00 0.00 C ATOM 1541 CE1 HIS A 98 72.077 35.951 -14.246 1.00 0.00 C ATOM 1542 NE2 HIS A 98 73.176 35.328 -13.859 1.00 0.00 N ATOM 0 H HIS A 98 75.265 37.049 -19.211 1.00 0.00 H new ATOM 0 HA HIS A 98 73.003 35.752 -18.198 1.00 0.00 H new ATOM 0 HB2 HIS A 98 75.257 36.527 -17.104 1.00 0.00 H new ATOM 0 HB3 HIS A 98 74.416 38.036 -16.808 1.00 0.00 H new ATOM 0 HD2 HIS A 98 75.186 35.207 -14.727 1.00 0.00 H new ATOM 0 HE1 HIS A 98 71.128 35.938 -13.730 1.00 0.00 H new ATOM 0 HE2 HIS A 98 73.269 34.754 -13.021 1.00 0.00 H new ATOM 1550 N LEU A 99 72.666 39.034 -18.490 1.00 0.00 N ATOM 1551 CA LEU A 99 71.681 40.107 -18.567 1.00 0.00 C ATOM 1552 C LEU A 99 70.651 39.824 -19.655 1.00 0.00 C ATOM 1553 O LEU A 99 69.516 40.297 -19.589 1.00 0.00 O ATOM 1554 CB LEU A 99 72.373 41.444 -18.839 1.00 0.00 C ATOM 1555 CG LEU A 99 72.308 42.476 -17.712 1.00 0.00 C ATOM 1556 CD1 LEU A 99 73.115 42.007 -16.512 1.00 0.00 C ATOM 1557 CD2 LEU A 99 72.807 43.828 -18.198 1.00 0.00 C ATOM 0 H LEU A 99 73.632 39.339 -18.608 1.00 0.00 H new ATOM 0 HA LEU A 99 71.164 40.161 -17.609 1.00 0.00 H new ATOM 0 HB2 LEU A 99 73.421 41.248 -19.065 1.00 0.00 H new ATOM 0 HB3 LEU A 99 71.931 41.884 -19.733 1.00 0.00 H new ATOM 0 HG LEU A 99 71.268 42.585 -17.404 1.00 0.00 H new ATOM 0 HD11 LEU A 99 73.057 42.754 -15.720 1.00 0.00 H new ATOM 0 HD12 LEU A 99 72.712 41.062 -16.149 1.00 0.00 H new ATOM 0 HD13 LEU A 99 74.156 41.869 -16.805 1.00 0.00 H new ATOM 0 HD21 LEU A 99 72.754 44.550 -17.383 1.00 0.00 H new ATOM 0 HD22 LEU A 99 73.840 43.735 -18.534 1.00 0.00 H new ATOM 0 HD23 LEU A 99 72.186 44.169 -19.026 1.00 0.00 H new ATOM 1569 N SER A 100 71.053 39.048 -20.656 1.00 0.00 N ATOM 1570 CA SER A 100 70.166 38.703 -21.761 1.00 0.00 C ATOM 1571 C SER A 100 69.338 37.466 -21.426 1.00 0.00 C ATOM 1572 O SER A 100 68.238 37.282 -21.946 1.00 0.00 O ATOM 1573 CB SER A 100 70.975 38.459 -23.036 1.00 0.00 C ATOM 1574 OG SER A 100 70.130 38.389 -24.171 1.00 0.00 O ATOM 0 H SER A 100 71.988 38.646 -20.725 1.00 0.00 H new ATOM 0 HA SER A 100 69.488 39.540 -21.925 1.00 0.00 H new ATOM 0 HB2 SER A 100 71.701 39.261 -23.168 1.00 0.00 H new ATOM 0 HB3 SER A 100 71.539 37.531 -22.941 1.00 0.00 H new ATOM 0 HG SER A 100 70.672 38.234 -24.973 1.00 0.00 H new ATOM 1580 N TYR A 101 69.876 36.620 -20.554 1.00 0.00 N ATOM 1581 CA TYR A 101 69.189 35.399 -20.150 1.00 0.00 C ATOM 1582 C TYR A 101 67.908 35.721 -19.386 1.00 0.00 C ATOM 1583 O TYR A 101 66.898 35.030 -19.525 1.00 0.00 O ATOM 1584 CB TYR A 101 70.108 34.534 -19.286 1.00 0.00 C ATOM 1585 CG TYR A 101 69.411 33.345 -18.664 1.00 0.00 C ATOM 1586 CD1 TYR A 101 69.243 32.163 -19.375 1.00 0.00 C ATOM 1587 CD2 TYR A 101 68.923 33.403 -17.364 1.00 0.00 C ATOM 1588 CE1 TYR A 101 68.606 31.075 -18.810 1.00 0.00 C ATOM 1589 CE2 TYR A 101 68.287 32.319 -16.791 1.00 0.00 C ATOM 1590 CZ TYR A 101 68.130 31.157 -17.518 1.00 0.00 C ATOM 1591 OH TYR A 101 67.497 30.075 -16.952 1.00 0.00 O ATOM 0 H TYR A 101 70.786 36.758 -20.114 1.00 0.00 H new ATOM 0 HA TYR A 101 68.923 34.847 -21.051 1.00 0.00 H new ATOM 0 HB2 TYR A 101 70.939 34.179 -19.896 1.00 0.00 H new ATOM 0 HB3 TYR A 101 70.534 35.150 -18.494 1.00 0.00 H new ATOM 0 HD1 TYR A 101 69.617 32.094 -20.386 1.00 0.00 H new ATOM 0 HD2 TYR A 101 69.043 34.311 -16.792 1.00 0.00 H new ATOM 0 HE1 TYR A 101 68.481 30.165 -19.377 1.00 0.00 H new ATOM 0 HE2 TYR A 101 67.915 32.381 -15.779 1.00 0.00 H new ATOM 0 HH TYR A 101 67.224 30.297 -16.037 1.00 0.00 H new ATOM 1601 N LEU A 102 67.958 36.775 -18.580 1.00 0.00 N ATOM 1602 CA LEU A 102 66.802 37.191 -17.793 1.00 0.00 C ATOM 1603 C LEU A 102 65.630 37.556 -18.698 1.00 0.00 C ATOM 1604 O LEU A 102 64.475 37.265 -18.384 1.00 0.00 O ATOM 1605 CB LEU A 102 67.166 38.383 -16.906 1.00 0.00 C ATOM 1606 CG LEU A 102 68.404 38.211 -16.025 1.00 0.00 C ATOM 1607 CD1 LEU A 102 68.737 39.512 -15.312 1.00 0.00 C ATOM 1608 CD2 LEU A 102 68.190 37.089 -15.019 1.00 0.00 C ATOM 0 H LEU A 102 68.786 37.357 -18.454 1.00 0.00 H new ATOM 0 HA LEU A 102 66.503 36.354 -17.162 1.00 0.00 H new ATOM 0 HB2 LEU A 102 67.318 39.253 -17.545 1.00 0.00 H new ATOM 0 HB3 LEU A 102 66.315 38.605 -16.262 1.00 0.00 H new ATOM 0 HG LEU A 102 69.247 37.945 -16.663 1.00 0.00 H new ATOM 0 HD11 LEU A 102 69.621 39.370 -14.690 1.00 0.00 H new ATOM 0 HD12 LEU A 102 68.933 40.291 -16.049 1.00 0.00 H new ATOM 0 HD13 LEU A 102 67.896 39.809 -14.685 1.00 0.00 H new ATOM 0 HD21 LEU A 102 69.081 36.980 -14.400 1.00 0.00 H new ATOM 0 HD22 LEU A 102 67.335 37.326 -14.386 1.00 0.00 H new ATOM 0 HD23 LEU A 102 68.001 36.156 -15.550 1.00 0.00 H new