USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 541 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 56 THR OG1 : rot 160:sc= -0.81 USER MOD Set 1.2: A 66 THR OG1 : rot 88:sc= -0.618 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -136:sc= -0.225 (180deg=-1.02) USER MOD Single : A 38 GLN : amide:sc= -1.1 K(o=-1.1,f=-2.2!) USER MOD Single : A 39 GLN :FLIP amide:sc= -0.0318 F(o=-0.62,f=-0.032) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot -60:sc= 0.375 USER MOD Single : A 44 ASN : amide:sc= -0.143 X(o=-0.14,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0377) USER MOD Single : A 58 GLN :FLIP amide:sc= -0.25 F(o=-0.81,f=-0.25) USER MOD Single : A 65 LYS NZ :NH3+ 159:sc= -0.356 (180deg=-1.33!) USER MOD Single : A 67 MET CE :methyl 156:sc= -0.689 (180deg=-1.52) USER MOD Single : A 71 MET CE :methyl 151:sc= -0.958 (180deg=-1.61!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN :FLIP amide:sc= -0.156 F(o=-1.3,f=-0.16) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -144:sc=-0.00831 (180deg=-0.225) USER MOD Single : A 88 ASN : amide:sc= -0.162 X(o=-0.16,f=-0.078) USER MOD Single : A 89 TYR OH : rot -69:sc= 0.0754 USER MOD Single : A 90 THR OG1 : rot 37:sc= 0.392 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 432 N VAL A 31 -2.822 -21.080 -6.476 1.00 23.12 N ATOM 433 CA VAL A 31 -1.580 -20.315 -6.462 1.00 62.34 C ATOM 434 C VAL A 31 -1.712 -19.038 -7.283 1.00 24.42 C ATOM 435 O VAL A 31 -0.817 -18.692 -8.055 1.00 53.53 O ATOM 436 CB VAL A 31 -0.403 -21.146 -7.007 1.00 42.20 C ATOM 437 CG1 VAL A 31 -0.133 -22.345 -6.110 1.00 11.21 C ATOM 438 CG2 VAL A 31 -0.681 -21.589 -8.435 1.00 42.14 C ATOM 0 HA VAL A 31 -1.380 -20.055 -5.423 1.00 62.34 H new ATOM 0 HB VAL A 31 0.489 -20.520 -7.012 1.00 42.20 H new ATOM 0 HG11 VAL A 31 0.702 -22.919 -6.512 1.00 11.21 H new ATOM 0 HG12 VAL A 31 0.114 -22.000 -5.106 1.00 11.21 H new ATOM 0 HG13 VAL A 31 -1.021 -22.976 -6.069 1.00 11.21 H new ATOM 0 HG21 VAL A 31 0.161 -22.175 -8.805 1.00 42.14 H new ATOM 0 HG22 VAL A 31 -1.585 -22.198 -8.458 1.00 42.14 H new ATOM 0 HG23 VAL A 31 -0.818 -20.712 -9.068 1.00 42.14 H new ATOM 448 N GLU A 32 -2.831 -18.343 -7.111 1.00 61.21 N ATOM 449 CA GLU A 32 -3.079 -17.103 -7.838 1.00 21.21 C ATOM 450 C GLU A 32 -2.160 -15.989 -7.343 1.00 61.51 C ATOM 451 O GLU A 32 -1.856 -15.048 -8.076 1.00 63.15 O ATOM 452 CB GLU A 32 -4.541 -16.679 -7.684 1.00 4.23 C ATOM 453 CG GLU A 32 -5.010 -16.626 -6.240 1.00 14.31 C ATOM 454 CD GLU A 32 -6.374 -15.978 -6.094 1.00 4.02 C ATOM 455 OE1 GLU A 32 -7.384 -16.712 -6.125 1.00 14.13 O ATOM 456 OE2 GLU A 32 -6.431 -14.739 -5.949 1.00 43.12 O ATOM 0 H GLU A 32 -3.580 -18.617 -6.475 1.00 61.21 H new ATOM 0 HA GLU A 32 -2.869 -17.282 -8.893 1.00 21.21 H new ATOM 0 HB2 GLU A 32 -4.675 -15.697 -8.137 1.00 4.23 H new ATOM 0 HB3 GLU A 32 -5.172 -17.374 -8.237 1.00 4.23 H new ATOM 0 HG2 GLU A 32 -5.047 -17.638 -5.836 1.00 14.31 H new ATOM 0 HG3 GLU A 32 -4.283 -16.072 -5.646 1.00 14.31 H new ATOM 464 N SER A 33 -1.722 -16.103 -6.093 1.00 62.31 N ATOM 465 CA SER A 33 -0.842 -15.104 -5.497 1.00 40.51 C ATOM 466 C SER A 33 0.512 -15.713 -5.147 1.00 60.51 C ATOM 467 O SER A 33 1.514 -15.006 -5.039 1.00 72.32 O ATOM 468 CB SER A 33 -1.486 -14.509 -4.244 1.00 62.12 C ATOM 469 OG SER A 33 -2.577 -13.670 -4.581 1.00 33.11 O ATOM 0 H SER A 33 -1.962 -16.877 -5.473 1.00 62.31 H new ATOM 0 HA SER A 33 -0.686 -14.311 -6.228 1.00 40.51 H new ATOM 0 HB2 SER A 33 -1.829 -15.312 -3.591 1.00 62.12 H new ATOM 0 HB3 SER A 33 -0.744 -13.939 -3.685 1.00 62.12 H new ATOM 0 HG SER A 33 -2.973 -13.303 -3.763 1.00 33.11 H new ATOM 475 N ASP A 34 0.534 -17.030 -4.972 1.00 14.33 N ATOM 476 CA ASP A 34 1.765 -17.736 -4.635 1.00 60.05 C ATOM 477 C ASP A 34 2.772 -17.646 -5.776 1.00 63.31 C ATOM 478 O ASP A 34 3.953 -17.372 -5.555 1.00 45.21 O ATOM 479 CB ASP A 34 1.466 -19.202 -4.315 1.00 41.23 C ATOM 480 CG ASP A 34 2.625 -19.892 -3.625 1.00 20.32 C ATOM 481 OD1 ASP A 34 2.493 -20.222 -2.428 1.00 41.31 O ATOM 482 OD2 ASP A 34 3.666 -20.103 -4.282 1.00 62.11 O ATOM 0 H ASP A 34 -0.286 -17.630 -5.058 1.00 14.33 H new ATOM 0 HA ASP A 34 2.198 -17.262 -3.754 1.00 60.05 H new ATOM 0 HB2 ASP A 34 0.582 -19.259 -3.679 1.00 41.23 H new ATOM 0 HB3 ASP A 34 1.229 -19.731 -5.238 1.00 41.23 H new ATOM 488 N LEU A 35 2.300 -17.881 -6.995 1.00 11.31 N ATOM 489 CA LEU A 35 3.160 -17.827 -8.172 1.00 64.25 C ATOM 490 C LEU A 35 3.095 -16.455 -8.833 1.00 52.41 C ATOM 491 O LEU A 35 3.514 -16.284 -9.978 1.00 24.23 O ATOM 492 CB LEU A 35 2.753 -18.909 -9.175 1.00 41.21 C ATOM 493 CG LEU A 35 3.528 -20.225 -9.094 1.00 50.24 C ATOM 494 CD1 LEU A 35 2.988 -21.224 -10.105 1.00 32.20 C ATOM 495 CD2 LEU A 35 5.013 -19.984 -9.319 1.00 50.11 C ATOM 0 H LEU A 35 1.326 -18.111 -7.194 1.00 11.31 H new ATOM 0 HA LEU A 35 4.186 -18.005 -7.850 1.00 64.25 H new ATOM 0 HB2 LEU A 35 1.694 -19.125 -9.036 1.00 41.21 H new ATOM 0 HB3 LEU A 35 2.867 -18.505 -10.181 1.00 41.21 H new ATOM 0 HG LEU A 35 3.396 -20.642 -8.096 1.00 50.24 H new ATOM 0 HD11 LEU A 35 3.551 -22.155 -10.033 1.00 32.20 H new ATOM 0 HD12 LEU A 35 1.936 -21.420 -9.897 1.00 32.20 H new ATOM 0 HD13 LEU A 35 3.089 -20.815 -11.110 1.00 32.20 H new ATOM 0 HD21 LEU A 35 5.549 -20.931 -9.258 1.00 50.11 H new ATOM 0 HD22 LEU A 35 5.165 -19.544 -10.305 1.00 50.11 H new ATOM 0 HD23 LEU A 35 5.391 -19.304 -8.556 1.00 50.11 H new ATOM 507 N ASP A 36 2.566 -15.477 -8.104 1.00 12.10 N ATOM 508 CA ASP A 36 2.449 -14.118 -8.619 1.00 74.24 C ATOM 509 C ASP A 36 3.807 -13.587 -9.066 1.00 11.44 C ATOM 510 O ASP A 36 3.890 -12.736 -9.952 1.00 75.33 O ATOM 511 CB ASP A 36 1.853 -13.196 -7.552 1.00 65.03 C ATOM 512 CG ASP A 36 1.561 -11.808 -8.085 1.00 13.41 C ATOM 513 OD1 ASP A 36 1.619 -11.621 -9.319 1.00 10.52 O ATOM 514 OD2 ASP A 36 1.275 -10.907 -7.269 1.00 75.04 O ATOM 0 H ASP A 36 2.212 -15.601 -7.155 1.00 12.10 H new ATOM 0 HA ASP A 36 1.785 -14.139 -9.483 1.00 74.24 H new ATOM 0 HB2 ASP A 36 0.932 -13.636 -7.169 1.00 65.03 H new ATOM 0 HB3 ASP A 36 2.544 -13.122 -6.713 1.00 65.03 H new ATOM 520 N MET A 37 4.868 -14.093 -8.447 1.00 63.14 N ATOM 521 CA MET A 37 6.223 -13.669 -8.782 1.00 53.02 C ATOM 522 C MET A 37 6.478 -13.800 -10.281 1.00 75.14 C ATOM 523 O MET A 37 7.089 -12.925 -10.892 1.00 4.23 O ATOM 524 CB MET A 37 7.246 -14.498 -8.003 1.00 42.11 C ATOM 525 CG MET A 37 7.283 -14.179 -6.518 1.00 12.51 C ATOM 526 SD MET A 37 8.276 -15.354 -5.579 1.00 45.04 S ATOM 527 CE MET A 37 7.324 -16.856 -5.804 1.00 34.33 C ATOM 0 H MET A 37 4.816 -14.797 -7.711 1.00 63.14 H new ATOM 0 HA MET A 37 6.329 -12.620 -8.504 1.00 53.02 H new ATOM 0 HB2 MET A 37 7.019 -15.556 -8.133 1.00 42.11 H new ATOM 0 HB3 MET A 37 8.236 -14.330 -8.427 1.00 42.11 H new ATOM 0 HG2 MET A 37 7.684 -13.175 -6.376 1.00 12.51 H new ATOM 0 HG3 MET A 37 6.266 -14.174 -6.126 1.00 12.51 H new ATOM 0 HE1 MET A 37 7.244 -17.382 -4.853 1.00 34.33 H new ATOM 0 HE2 MET A 37 6.327 -16.604 -6.165 1.00 34.33 H new ATOM 0 HE3 MET A 37 7.822 -17.497 -6.532 1.00 34.33 H new ATOM 537 N GLN A 38 6.006 -14.899 -10.863 1.00 35.54 N ATOM 538 CA GLN A 38 6.187 -15.143 -12.289 1.00 41.13 C ATOM 539 C GLN A 38 5.235 -14.280 -13.113 1.00 23.44 C ATOM 540 O GLN A 38 5.604 -13.774 -14.172 1.00 13.13 O ATOM 541 CB GLN A 38 5.958 -16.622 -12.607 1.00 74.32 C ATOM 542 CG GLN A 38 7.222 -17.462 -12.535 1.00 2.15 C ATOM 543 CD GLN A 38 6.945 -18.904 -12.160 1.00 41.14 C ATOM 544 OE1 GLN A 38 7.311 -19.358 -11.076 1.00 11.21 O ATOM 545 NE2 GLN A 38 6.292 -19.634 -13.058 1.00 23.42 N ATOM 0 H GLN A 38 5.497 -15.632 -10.370 1.00 35.54 H new ATOM 0 HA GLN A 38 7.211 -14.876 -12.552 1.00 41.13 H new ATOM 0 HB2 GLN A 38 5.223 -17.025 -11.910 1.00 74.32 H new ATOM 0 HB3 GLN A 38 5.531 -16.708 -13.606 1.00 74.32 H new ATOM 0 HG2 GLN A 38 7.728 -17.433 -13.500 1.00 2.15 H new ATOM 0 HG3 GLN A 38 7.903 -17.025 -11.804 1.00 2.15 H new ATOM 0 HE21 GLN A 38 6.007 -19.217 -13.944 1.00 23.42 H new ATOM 0 HE22 GLN A 38 6.076 -20.611 -12.861 1.00 23.42 H new ATOM 554 N GLN A 39 4.013 -14.120 -12.620 1.00 51.14 N ATOM 555 CA GLN A 39 3.009 -13.320 -13.311 1.00 0.52 C ATOM 556 C GLN A 39 3.446 -11.862 -13.407 1.00 3.12 C ATOM 557 O GLN A 39 2.982 -11.120 -14.272 1.00 22.03 O ATOM 558 CB GLN A 39 1.663 -13.414 -12.590 1.00 31.33 C ATOM 559 CG GLN A 39 1.206 -14.842 -12.340 1.00 61.21 C ATOM 560 CD GLN A 39 0.701 -15.521 -13.598 1.00 61.35 C ATOM 561 OE1 GLN A 39 1.619 -15.875 -14.490 1.00 3.12 O flip ATOM 562 NE2 GLN A 39 -0.502 -15.725 -13.766 1.00 74.55 N flip ATOM 0 H GLN A 39 3.693 -14.534 -11.744 1.00 51.14 H new ATOM 0 HA GLN A 39 2.900 -13.716 -14.321 1.00 0.52 H new ATOM 0 HB2 GLN A 39 1.734 -12.892 -11.636 1.00 31.33 H new ATOM 0 HB3 GLN A 39 0.907 -12.897 -13.181 1.00 31.33 H new ATOM 0 HG2 GLN A 39 2.035 -15.418 -11.928 1.00 61.21 H new ATOM 0 HG3 GLN A 39 0.415 -14.840 -11.590 1.00 61.21 H new ATOM 0 HE21 GLN A 39 -1.173 -15.436 -13.054 1.00 74.55 H new ATOM 0 HE22 GLN A 39 -0.828 -16.183 -14.617 1.00 74.55 H new ATOM 571 N ALA A 40 4.343 -11.459 -12.513 1.00 53.43 N ATOM 572 CA ALA A 40 4.844 -10.090 -12.498 1.00 34.50 C ATOM 573 C ALA A 40 5.534 -9.743 -13.813 1.00 44.35 C ATOM 574 O ALA A 40 5.653 -8.572 -14.172 1.00 44.00 O ATOM 575 CB ALA A 40 5.800 -9.891 -11.331 1.00 32.44 C ATOM 0 H ALA A 40 4.737 -12.061 -11.790 1.00 53.43 H new ATOM 0 HA ALA A 40 3.993 -9.420 -12.376 1.00 34.50 H new ATOM 0 HB1 ALA A 40 6.167 -8.864 -11.332 1.00 32.44 H new ATOM 0 HB2 ALA A 40 5.278 -10.089 -10.395 1.00 32.44 H new ATOM 0 HB3 ALA A 40 6.642 -10.577 -11.429 1.00 32.44 H new ATOM 581 N MET A 41 5.985 -10.769 -14.528 1.00 61.24 N ATOM 582 CA MET A 41 6.662 -10.572 -15.804 1.00 1.51 C ATOM 583 C MET A 41 5.660 -10.234 -16.904 1.00 11.34 C ATOM 584 O MET A 41 5.931 -9.400 -17.770 1.00 33.22 O ATOM 585 CB MET A 41 7.452 -11.824 -16.186 1.00 60.21 C ATOM 586 CG MET A 41 8.357 -12.334 -15.077 1.00 74.45 C ATOM 587 SD MET A 41 9.809 -13.199 -15.705 1.00 53.22 S ATOM 588 CE MET A 41 9.690 -14.750 -14.817 1.00 44.33 C ATOM 0 H MET A 41 5.894 -11.745 -14.245 1.00 61.24 H new ATOM 0 HA MET A 41 7.352 -9.735 -15.695 1.00 1.51 H new ATOM 0 HB2 MET A 41 6.754 -12.613 -16.465 1.00 60.21 H new ATOM 0 HB3 MET A 41 8.057 -11.607 -17.066 1.00 60.21 H new ATOM 0 HG2 MET A 41 8.678 -11.494 -14.461 1.00 74.45 H new ATOM 0 HG3 MET A 41 7.791 -13.005 -14.431 1.00 74.45 H new ATOM 0 HE1 MET A 41 10.522 -15.396 -15.099 1.00 44.33 H new ATOM 0 HE2 MET A 41 9.727 -14.559 -13.744 1.00 44.33 H new ATOM 0 HE3 MET A 41 8.749 -15.241 -15.066 1.00 44.33 H new ATOM 598 N LEU A 42 4.503 -10.885 -16.865 1.00 14.33 N ATOM 599 CA LEU A 42 3.460 -10.653 -17.858 1.00 4.45 C ATOM 600 C LEU A 42 2.750 -9.327 -17.604 1.00 10.13 C ATOM 601 O LEU A 42 2.086 -8.786 -18.489 1.00 33.35 O ATOM 602 CB LEU A 42 2.447 -11.799 -17.840 1.00 51.31 C ATOM 603 CG LEU A 42 2.810 -13.029 -18.672 1.00 20.33 C ATOM 604 CD1 LEU A 42 3.836 -13.883 -17.942 1.00 52.11 C ATOM 605 CD2 LEU A 42 1.565 -13.844 -18.992 1.00 32.41 C ATOM 0 H LEU A 42 4.263 -11.578 -16.156 1.00 14.33 H new ATOM 0 HA LEU A 42 3.932 -10.608 -18.840 1.00 4.45 H new ATOM 0 HB2 LEU A 42 2.303 -12.114 -16.806 1.00 51.31 H new ATOM 0 HB3 LEU A 42 1.489 -11.416 -18.193 1.00 51.31 H new ATOM 0 HG LEU A 42 3.250 -12.692 -19.611 1.00 20.33 H new ATOM 0 HD11 LEU A 42 4.082 -14.754 -18.549 1.00 52.11 H new ATOM 0 HD12 LEU A 42 4.738 -13.297 -17.765 1.00 52.11 H new ATOM 0 HD13 LEU A 42 3.424 -14.211 -16.988 1.00 52.11 H new ATOM 0 HD21 LEU A 42 1.843 -14.715 -19.585 1.00 32.41 H new ATOM 0 HD22 LEU A 42 1.096 -14.171 -18.064 1.00 32.41 H new ATOM 0 HD23 LEU A 42 0.863 -13.230 -19.557 1.00 32.41 H new ATOM 617 N THR A 43 2.897 -8.806 -16.389 1.00 3.21 N ATOM 618 CA THR A 43 2.271 -7.544 -16.018 1.00 5.31 C ATOM 619 C THR A 43 3.318 -6.498 -15.653 1.00 22.02 C ATOM 620 O THR A 43 3.413 -6.077 -14.501 1.00 65.21 O ATOM 621 CB THR A 43 1.305 -7.723 -14.833 1.00 15.01 C ATOM 622 OG1 THR A 43 0.848 -6.445 -14.376 1.00 11.32 O ATOM 623 CG2 THR A 43 1.983 -8.463 -13.689 1.00 40.10 C ATOM 0 H THR A 43 3.445 -9.240 -15.646 1.00 3.21 H new ATOM 0 HA THR A 43 1.708 -7.203 -16.887 1.00 5.31 H new ATOM 0 HB THR A 43 0.454 -8.313 -15.173 1.00 15.01 H new ATOM 0 HG1 THR A 43 1.615 -5.907 -14.088 1.00 11.32 H new ATOM 0 HG21 THR A 43 1.281 -8.578 -12.863 1.00 40.10 H new ATOM 0 HG22 THR A 43 2.304 -9.447 -14.032 1.00 40.10 H new ATOM 0 HG23 THR A 43 2.850 -7.895 -13.352 1.00 40.10 H new ATOM 631 N ASN A 44 4.103 -6.081 -16.642 1.00 51.15 N ATOM 632 CA ASN A 44 5.144 -5.084 -16.424 1.00 55.41 C ATOM 633 C ASN A 44 4.565 -3.673 -16.482 1.00 34.41 C ATOM 634 O ASN A 44 3.349 -3.489 -16.546 1.00 64.10 O ATOM 635 CB ASN A 44 6.252 -5.236 -17.467 1.00 12.20 C ATOM 636 CG ASN A 44 7.628 -4.954 -16.894 1.00 60.31 C ATOM 637 OD1 ASN A 44 8.327 -4.048 -17.346 1.00 44.40 O ATOM 638 ND2 ASN A 44 8.022 -5.733 -15.892 1.00 12.52 N ATOM 0 H ASN A 44 4.037 -6.419 -17.602 1.00 51.15 H new ATOM 0 HA ASN A 44 5.565 -5.245 -15.432 1.00 55.41 H new ATOM 0 HB2 ASN A 44 6.230 -6.248 -17.871 1.00 12.20 H new ATOM 0 HB3 ASN A 44 6.061 -4.557 -18.298 1.00 12.20 H new ATOM 0 HD21 ASN A 44 8.938 -5.591 -15.466 1.00 12.52 H new ATOM 0 HD22 ASN A 44 7.409 -6.473 -15.549 1.00 12.52 H new ATOM 718 N VAL A 49 -0.010 3.121 -18.576 1.00 4.23 N ATOM 719 CA VAL A 49 -0.260 2.859 -17.164 1.00 13.04 C ATOM 720 C VAL A 49 -0.020 4.108 -16.322 1.00 2.13 C ATOM 721 O VAL A 49 -0.623 4.283 -15.264 1.00 72.24 O ATOM 722 CB VAL A 49 0.632 1.720 -16.637 1.00 44.40 C ATOM 723 CG1 VAL A 49 0.427 1.529 -15.142 1.00 65.21 C ATOM 724 CG2 VAL A 49 0.349 0.430 -17.392 1.00 54.13 C ATOM 0 HA VAL A 49 -1.305 2.561 -17.078 1.00 13.04 H new ATOM 0 HB VAL A 49 1.675 1.991 -16.804 1.00 44.40 H new ATOM 0 HG11 VAL A 49 1.066 0.720 -14.788 1.00 65.21 H new ATOM 0 HG12 VAL A 49 0.684 2.450 -14.619 1.00 65.21 H new ATOM 0 HG13 VAL A 49 -0.616 1.280 -14.947 1.00 65.21 H new ATOM 0 HG21 VAL A 49 0.988 -0.365 -17.007 1.00 54.13 H new ATOM 0 HG22 VAL A 49 -0.696 0.152 -17.258 1.00 54.13 H new ATOM 0 HG23 VAL A 49 0.552 0.577 -18.453 1.00 54.13 H new ATOM 734 N LEU A 50 0.866 4.975 -16.802 1.00 73.51 N ATOM 735 CA LEU A 50 1.187 6.210 -16.093 1.00 25.23 C ATOM 736 C LEU A 50 0.000 7.168 -16.103 1.00 44.20 C ATOM 737 O LEU A 50 -0.099 8.061 -15.263 1.00 32.42 O ATOM 738 CB LEU A 50 2.405 6.883 -16.729 1.00 0.31 C ATOM 739 CG LEU A 50 3.646 6.006 -16.897 1.00 33.40 C ATOM 740 CD1 LEU A 50 4.659 6.682 -17.807 1.00 30.22 C ATOM 741 CD2 LEU A 50 4.266 5.694 -15.542 1.00 12.20 C ATOM 0 H LEU A 50 1.374 4.846 -17.677 1.00 73.51 H new ATOM 0 HA LEU A 50 1.417 5.957 -15.058 1.00 25.23 H new ATOM 0 HB2 LEU A 50 2.116 7.260 -17.710 1.00 0.31 H new ATOM 0 HB3 LEU A 50 2.675 7.747 -16.123 1.00 0.31 H new ATOM 0 HG LEU A 50 3.344 5.067 -17.360 1.00 33.40 H new ATOM 0 HD11 LEU A 50 5.535 6.043 -17.914 1.00 30.22 H new ATOM 0 HD12 LEU A 50 4.212 6.852 -18.786 1.00 30.22 H new ATOM 0 HD13 LEU A 50 4.957 7.637 -17.374 1.00 30.22 H new ATOM 0 HD21 LEU A 50 5.148 5.069 -15.681 1.00 12.20 H new ATOM 0 HD22 LEU A 50 4.554 6.624 -15.051 1.00 12.20 H new ATOM 0 HD23 LEU A 50 3.541 5.166 -14.923 1.00 12.20 H new ATOM 753 N LYS A 51 -0.903 6.973 -17.059 1.00 0.34 N ATOM 754 CA LYS A 51 -2.086 7.816 -17.178 1.00 32.41 C ATOM 755 C LYS A 51 -3.093 7.497 -16.078 1.00 14.52 C ATOM 756 O LYS A 51 -3.743 8.393 -15.539 1.00 43.21 O ATOM 757 CB LYS A 51 -2.736 7.628 -18.550 1.00 42.33 C ATOM 758 CG LYS A 51 -1.869 8.101 -19.704 1.00 64.05 C ATOM 759 CD LYS A 51 -2.055 9.585 -19.970 1.00 24.31 C ATOM 760 CE LYS A 51 -1.096 10.083 -21.041 1.00 62.21 C ATOM 761 NZ LYS A 51 -1.391 9.485 -22.372 1.00 65.21 N ATOM 0 H LYS A 51 -0.837 6.238 -17.763 1.00 0.34 H new ATOM 0 HA LYS A 51 -1.774 8.855 -17.071 1.00 32.41 H new ATOM 0 HB2 LYS A 51 -2.969 6.573 -18.691 1.00 42.33 H new ATOM 0 HB3 LYS A 51 -3.682 8.169 -18.572 1.00 42.33 H new ATOM 0 HG2 LYS A 51 -0.822 7.899 -19.480 1.00 64.05 H new ATOM 0 HG3 LYS A 51 -2.117 7.536 -20.602 1.00 64.05 H new ATOM 0 HD2 LYS A 51 -3.082 9.774 -20.283 1.00 24.31 H new ATOM 0 HD3 LYS A 51 -1.895 10.144 -19.048 1.00 24.31 H new ATOM 0 HE2 LYS A 51 -1.160 11.169 -21.109 1.00 62.21 H new ATOM 0 HE3 LYS A 51 -0.073 9.841 -20.753 1.00 62.21 H new ATOM 0 HZ1 LYS A 51 -0.772 9.913 -23.090 1.00 65.21 H new ATOM 0 HZ2 LYS A 51 -1.223 8.459 -22.337 1.00 65.21 H new ATOM 0 HZ3 LYS A 51 -2.385 9.665 -22.621 1.00 65.21 H new ATOM 775 N ALA A 52 -3.217 6.216 -15.748 1.00 2.22 N ATOM 776 CA ALA A 52 -4.142 5.780 -14.710 1.00 44.25 C ATOM 777 C ALA A 52 -3.747 6.344 -13.350 1.00 51.32 C ATOM 778 O ALA A 52 -4.598 6.799 -12.584 1.00 61.34 O ATOM 779 CB ALA A 52 -4.198 4.259 -14.657 1.00 13.33 C ATOM 0 H ALA A 52 -2.688 5.461 -16.185 1.00 2.22 H new ATOM 0 HA ALA A 52 -5.133 6.161 -14.958 1.00 44.25 H new ATOM 0 HB1 ALA A 52 -4.893 3.947 -13.877 1.00 13.33 H new ATOM 0 HB2 ALA A 52 -4.536 3.874 -15.619 1.00 13.33 H new ATOM 0 HB3 ALA A 52 -3.206 3.866 -14.437 1.00 13.33 H new ATOM 785 N LEU A 53 -2.452 6.311 -13.054 1.00 40.25 N ATOM 786 CA LEU A 53 -1.944 6.818 -11.785 1.00 50.11 C ATOM 787 C LEU A 53 -2.298 8.291 -11.607 1.00 23.04 C ATOM 788 O LEU A 53 -2.318 8.804 -10.489 1.00 73.53 O ATOM 789 CB LEU A 53 -0.427 6.633 -11.710 1.00 11.14 C ATOM 790 CG LEU A 53 0.081 5.197 -11.845 1.00 34.12 C ATOM 791 CD1 LEU A 53 1.601 5.172 -11.896 1.00 31.23 C ATOM 792 CD2 LEU A 53 -0.431 4.340 -10.696 1.00 33.44 C ATOM 0 H LEU A 53 -1.735 5.938 -13.676 1.00 40.25 H new ATOM 0 HA LEU A 53 -2.413 6.251 -10.981 1.00 50.11 H new ATOM 0 HB2 LEU A 53 0.032 7.235 -12.495 1.00 11.14 H new ATOM 0 HB3 LEU A 53 -0.079 7.032 -10.757 1.00 11.14 H new ATOM 0 HG LEU A 53 -0.300 4.783 -12.778 1.00 34.12 H new ATOM 0 HD11 LEU A 53 1.945 4.142 -11.992 1.00 31.23 H new ATOM 0 HD12 LEU A 53 1.946 5.751 -12.753 1.00 31.23 H new ATOM 0 HD13 LEU A 53 2.003 5.605 -10.980 1.00 31.23 H new ATOM 0 HD21 LEU A 53 -0.060 3.321 -10.808 1.00 33.44 H new ATOM 0 HD22 LEU A 53 -0.080 4.752 -9.750 1.00 33.44 H new ATOM 0 HD23 LEU A 53 -1.521 4.332 -10.706 1.00 33.44 H new ATOM 804 N GLU A 54 -2.576 8.966 -12.718 1.00 41.44 N ATOM 805 CA GLU A 54 -2.931 10.380 -12.683 1.00 32.14 C ATOM 806 C GLU A 54 -4.274 10.587 -11.988 1.00 13.04 C ATOM 807 O GLU A 54 -4.442 11.523 -11.206 1.00 11.35 O ATOM 808 CB GLU A 54 -2.985 10.950 -14.102 1.00 12.01 C ATOM 809 CG GLU A 54 -1.723 10.696 -14.909 1.00 53.13 C ATOM 810 CD GLU A 54 -1.601 11.618 -16.107 1.00 64.13 C ATOM 811 OE1 GLU A 54 -0.462 11.835 -16.573 1.00 54.13 O ATOM 812 OE2 GLU A 54 -2.642 12.120 -16.578 1.00 52.12 O ATOM 0 H GLU A 54 -2.562 8.557 -13.652 1.00 41.44 H new ATOM 0 HA GLU A 54 -2.164 10.907 -12.116 1.00 32.14 H new ATOM 0 HB2 GLU A 54 -3.835 10.515 -14.627 1.00 12.01 H new ATOM 0 HB3 GLU A 54 -3.160 12.024 -14.046 1.00 12.01 H new ATOM 0 HG2 GLU A 54 -0.853 10.825 -14.266 1.00 53.13 H new ATOM 0 HG3 GLU A 54 -1.716 9.661 -15.250 1.00 53.13 H new ATOM 820 N ARG A 55 -5.227 9.709 -12.280 1.00 63.42 N ATOM 821 CA ARG A 55 -6.555 9.796 -11.685 1.00 32.03 C ATOM 822 C ARG A 55 -6.542 9.282 -10.249 1.00 63.13 C ATOM 823 O ARG A 55 -7.281 9.773 -9.395 1.00 34.11 O ATOM 824 CB ARG A 55 -7.562 8.998 -12.515 1.00 64.32 C ATOM 825 CG ARG A 55 -8.896 8.790 -11.818 1.00 61.02 C ATOM 826 CD ARG A 55 -9.516 10.112 -11.394 1.00 4.32 C ATOM 827 NE ARG A 55 -10.875 10.268 -11.905 1.00 54.10 N ATOM 828 CZ ARG A 55 -11.589 11.380 -11.767 1.00 73.31 C ATOM 829 NH1 ARG A 55 -11.075 12.427 -11.137 1.00 13.53 N ATOM 830 NH2 ARG A 55 -12.820 11.445 -12.259 1.00 20.34 N ATOM 0 H ARG A 55 -5.104 8.929 -12.925 1.00 63.42 H new ATOM 0 HA ARG A 55 -6.853 10.844 -11.674 1.00 32.03 H new ATOM 0 HB2 ARG A 55 -7.732 9.515 -13.460 1.00 64.32 H new ATOM 0 HB3 ARG A 55 -7.132 8.026 -12.756 1.00 64.32 H new ATOM 0 HG2 ARG A 55 -9.579 8.265 -12.486 1.00 61.02 H new ATOM 0 HG3 ARG A 55 -8.755 8.156 -10.943 1.00 61.02 H new ATOM 0 HD2 ARG A 55 -9.529 10.174 -10.306 1.00 4.32 H new ATOM 0 HD3 ARG A 55 -8.897 10.934 -11.753 1.00 4.32 H new ATOM 0 HE ARG A 55 -11.299 9.480 -12.395 1.00 54.10 H new ATOM 0 HH11 ARG A 55 -10.130 12.380 -10.757 1.00 13.53 H new ATOM 0 HH12 ARG A 55 -11.625 13.280 -11.032 1.00 13.53 H new ATOM 0 HH21 ARG A 55 -13.219 10.641 -12.744 1.00 20.34 H new ATOM 0 HH22 ARG A 55 -13.367 12.299 -12.153 1.00 20.34 H new ATOM 844 N THR A 56 -5.698 8.288 -9.988 1.00 12.53 N ATOM 845 CA THR A 56 -5.590 7.706 -8.657 1.00 41.22 C ATOM 846 C THR A 56 -4.845 8.638 -7.708 1.00 73.00 C ATOM 847 O THR A 56 -5.288 8.879 -6.585 1.00 13.43 O ATOM 848 CB THR A 56 -4.867 6.347 -8.695 1.00 70.42 C ATOM 849 OG1 THR A 56 -3.471 6.541 -8.943 1.00 21.11 O ATOM 850 CG2 THR A 56 -5.459 5.449 -9.772 1.00 35.14 C ATOM 0 H THR A 56 -5.079 7.869 -10.682 1.00 12.53 H new ATOM 0 HA THR A 56 -6.607 7.558 -8.294 1.00 41.22 H new ATOM 0 HB THR A 56 -4.999 5.863 -7.727 1.00 70.42 H new ATOM 0 HG1 THR A 56 -2.974 5.747 -8.655 1.00 21.11 H new ATOM 0 HG21 THR A 56 -4.932 4.495 -9.780 1.00 35.14 H new ATOM 0 HG22 THR A 56 -6.515 5.279 -9.564 1.00 35.14 H new ATOM 0 HG23 THR A 56 -5.354 5.930 -10.745 1.00 35.14 H new ATOM 858 N ARG A 57 -3.712 9.160 -8.167 1.00 51.23 N ATOM 859 CA ARG A 57 -2.906 10.066 -7.357 1.00 45.42 C ATOM 860 C ARG A 57 -3.743 11.240 -6.858 1.00 75.13 C ATOM 861 O ARG A 57 -3.452 11.820 -5.812 1.00 11.52 O ATOM 862 CB ARG A 57 -1.715 10.583 -8.166 1.00 4.54 C ATOM 863 CG ARG A 57 -2.102 11.565 -9.261 1.00 33.42 C ATOM 864 CD ARG A 57 -0.887 12.300 -9.804 1.00 41.52 C ATOM 865 NE ARG A 57 0.161 11.380 -10.236 1.00 31.44 N ATOM 866 CZ ARG A 57 1.351 11.776 -10.676 1.00 1.03 C ATOM 867 NH1 ARG A 57 1.641 13.068 -10.741 1.00 32.33 N ATOM 868 NH2 ARG A 57 2.253 10.878 -11.051 1.00 72.34 N ATOM 0 H ARG A 57 -3.332 8.971 -9.094 1.00 51.23 H new ATOM 0 HA ARG A 57 -2.538 9.512 -6.494 1.00 45.42 H new ATOM 0 HB2 ARG A 57 -1.009 11.066 -7.490 1.00 4.54 H new ATOM 0 HB3 ARG A 57 -1.197 9.736 -8.616 1.00 4.54 H new ATOM 0 HG2 ARG A 57 -2.598 11.031 -10.072 1.00 33.42 H new ATOM 0 HG3 ARG A 57 -2.819 12.286 -8.868 1.00 33.42 H new ATOM 0 HD2 ARG A 57 -1.188 12.927 -10.644 1.00 41.52 H new ATOM 0 HD3 ARG A 57 -0.492 12.964 -9.036 1.00 41.52 H new ATOM 0 HE ARG A 57 -0.030 10.379 -10.198 1.00 31.44 H new ATOM 0 HH11 ARG A 57 0.950 13.761 -10.453 1.00 32.33 H new ATOM 0 HH12 ARG A 57 2.555 13.369 -11.079 1.00 32.33 H new ATOM 0 HH21 ARG A 57 2.033 9.883 -11.002 1.00 72.34 H new ATOM 0 HH22 ARG A 57 3.166 11.183 -11.389 1.00 72.34 H new ATOM 882 N GLN A 58 -4.783 11.583 -7.612 1.00 22.30 N ATOM 883 CA GLN A 58 -5.660 12.688 -7.245 1.00 51.54 C ATOM 884 C GLN A 58 -6.377 12.401 -5.930 1.00 21.13 C ATOM 885 O GLN A 58 -6.533 13.287 -5.090 1.00 11.12 O ATOM 886 CB GLN A 58 -6.685 12.942 -8.353 1.00 4.14 C ATOM 887 CG GLN A 58 -6.120 13.706 -9.540 1.00 21.52 C ATOM 888 CD GLN A 58 -5.791 15.147 -9.204 1.00 1.43 C ATOM 889 OE1 GLN A 58 -4.592 15.375 -8.682 1.00 71.44 O flip ATOM 890 NE2 GLN A 58 -6.607 16.047 -9.411 1.00 2.04 N flip ATOM 0 H GLN A 58 -5.038 11.112 -8.480 1.00 22.30 H new ATOM 0 HA GLN A 58 -5.046 13.579 -7.116 1.00 51.54 H new ATOM 0 HB2 GLN A 58 -7.077 11.986 -8.700 1.00 4.14 H new ATOM 0 HB3 GLN A 58 -7.525 13.500 -7.939 1.00 4.14 H new ATOM 0 HG2 GLN A 58 -5.219 13.205 -9.894 1.00 21.52 H new ATOM 0 HG3 GLN A 58 -6.840 13.683 -10.358 1.00 21.52 H new ATOM 0 HE21 GLN A 58 -7.518 15.827 -9.814 1.00 2.04 H new ATOM 0 HE22 GLN A 58 -6.372 17.012 -9.179 1.00 2.04 H new ATOM 899 N LEU A 59 -6.812 11.157 -5.759 1.00 34.21 N ATOM 900 CA LEU A 59 -7.513 10.752 -4.545 1.00 1.13 C ATOM 901 C LEU A 59 -6.536 10.207 -3.508 1.00 14.53 C ATOM 902 O LEU A 59 -6.941 9.589 -2.523 1.00 1.45 O ATOM 903 CB LEU A 59 -8.570 9.696 -4.871 1.00 11.24 C ATOM 904 CG LEU A 59 -9.457 9.986 -6.082 1.00 5.34 C ATOM 905 CD1 LEU A 59 -9.404 8.832 -7.071 1.00 52.10 C ATOM 906 CD2 LEU A 59 -10.890 10.250 -5.644 1.00 21.43 C ATOM 0 H LEU A 59 -6.692 10.412 -6.445 1.00 34.21 H new ATOM 0 HA LEU A 59 -8.004 11.631 -4.128 1.00 1.13 H new ATOM 0 HB2 LEU A 59 -8.065 8.744 -5.035 1.00 11.24 H new ATOM 0 HB3 LEU A 59 -9.211 9.571 -3.998 1.00 11.24 H new ATOM 0 HG LEU A 59 -9.080 10.880 -6.578 1.00 5.34 H new ATOM 0 HD11 LEU A 59 -10.041 9.056 -7.926 1.00 52.10 H new ATOM 0 HD12 LEU A 59 -8.378 8.690 -7.410 1.00 52.10 H new ATOM 0 HD13 LEU A 59 -9.755 7.921 -6.586 1.00 52.10 H new ATOM 0 HD21 LEU A 59 -11.506 10.454 -6.520 1.00 21.43 H new ATOM 0 HD22 LEU A 59 -11.278 9.375 -5.123 1.00 21.43 H new ATOM 0 HD23 LEU A 59 -10.913 11.110 -4.975 1.00 21.43 H new ATOM 918 N ASP A 60 -5.249 10.442 -3.735 1.00 24.31 N ATOM 919 CA ASP A 60 -4.213 9.977 -2.819 1.00 33.21 C ATOM 920 C ASP A 60 -4.175 8.454 -2.770 1.00 63.42 C ATOM 921 O ASP A 60 -4.614 7.843 -1.794 1.00 42.43 O ATOM 922 CB ASP A 60 -4.454 10.539 -1.416 1.00 22.11 C ATOM 923 CG ASP A 60 -4.899 11.988 -1.442 1.00 52.42 C ATOM 924 OD1 ASP A 60 -4.307 12.778 -2.205 1.00 2.21 O ATOM 925 OD2 ASP A 60 -5.843 12.331 -0.699 1.00 34.21 O ATOM 0 H ASP A 60 -4.897 10.952 -4.545 1.00 24.31 H new ATOM 0 HA ASP A 60 -3.251 10.335 -3.186 1.00 33.21 H new ATOM 0 HB2 ASP A 60 -5.211 9.938 -0.912 1.00 22.11 H new ATOM 0 HB3 ASP A 60 -3.538 10.454 -0.831 1.00 22.11 H new ATOM 931 N ILE A 61 -3.649 7.846 -3.828 1.00 63.40 N ATOM 932 CA ILE A 61 -3.554 6.393 -3.904 1.00 64.00 C ATOM 933 C ILE A 61 -2.144 5.953 -4.283 1.00 43.22 C ATOM 934 O ILE A 61 -1.546 6.452 -5.236 1.00 2.44 O ATOM 935 CB ILE A 61 -4.551 5.817 -4.927 1.00 41.02 C ATOM 936 CG1 ILE A 61 -5.941 6.421 -4.714 1.00 70.40 C ATOM 937 CG2 ILE A 61 -4.604 4.300 -4.820 1.00 55.11 C ATOM 938 CD1 ILE A 61 -6.933 6.049 -5.793 1.00 63.15 C ATOM 0 H ILE A 61 -3.282 8.336 -4.644 1.00 63.40 H new ATOM 0 HA ILE A 61 -3.798 6.009 -2.914 1.00 64.00 H new ATOM 0 HB ILE A 61 -4.212 6.079 -5.929 1.00 41.02 H new ATOM 0 HG12 ILE A 61 -6.327 6.093 -3.749 1.00 70.40 H new ATOM 0 HG13 ILE A 61 -5.854 7.507 -4.671 1.00 70.40 H new ATOM 0 HG21 ILE A 61 -5.313 3.908 -5.549 1.00 55.11 H new ATOM 0 HG22 ILE A 61 -3.615 3.887 -5.017 1.00 55.11 H new ATOM 0 HG23 ILE A 61 -4.922 4.017 -3.817 1.00 55.11 H new ATOM 0 HD11 ILE A 61 -7.896 6.512 -5.577 1.00 63.15 H new ATOM 0 HD12 ILE A 61 -6.569 6.401 -6.758 1.00 63.15 H new ATOM 0 HD13 ILE A 61 -7.050 4.966 -5.822 1.00 63.15 H new ATOM 950 N PRO A 62 -1.597 4.995 -3.520 1.00 53.41 N ATOM 951 CA PRO A 62 -0.251 4.464 -3.757 1.00 53.52 C ATOM 952 C PRO A 62 -0.173 3.631 -5.031 1.00 54.00 C ATOM 953 O PRO A 62 -1.081 2.857 -5.335 1.00 54.42 O ATOM 954 CB PRO A 62 0.006 3.589 -2.528 1.00 21.51 C ATOM 955 CG PRO A 62 -1.350 3.194 -2.053 1.00 21.43 C ATOM 956 CD PRO A 62 -2.253 4.355 -2.367 1.00 71.21 C ATOM 0 HA PRO A 62 0.483 5.258 -3.892 1.00 53.52 H new ATOM 0 HB2 PRO A 62 0.606 2.715 -2.783 1.00 21.51 H new ATOM 0 HB3 PRO A 62 0.551 4.137 -1.759 1.00 21.51 H new ATOM 0 HG2 PRO A 62 -1.691 2.288 -2.554 1.00 21.43 H new ATOM 0 HG3 PRO A 62 -1.343 2.983 -0.984 1.00 21.43 H new ATOM 0 HD2 PRO A 62 -3.262 4.024 -2.611 1.00 71.21 H new ATOM 0 HD3 PRO A 62 -2.337 5.039 -1.522 1.00 71.21 H new ATOM 964 N ASP A 63 0.917 3.794 -5.773 1.00 44.14 N ATOM 965 CA ASP A 63 1.114 3.054 -7.015 1.00 74.34 C ATOM 966 C ASP A 63 1.311 1.567 -6.736 1.00 12.52 C ATOM 967 O ASP A 63 1.304 0.749 -7.654 1.00 41.31 O ATOM 968 CB ASP A 63 2.319 3.607 -7.776 1.00 23.32 C ATOM 969 CG ASP A 63 2.645 2.794 -9.013 1.00 10.12 C ATOM 970 OD1 ASP A 63 1.702 2.410 -9.736 1.00 62.30 O ATOM 971 OD2 ASP A 63 3.844 2.543 -9.260 1.00 75.34 O ATOM 0 H ASP A 63 1.677 4.431 -5.537 1.00 44.14 H new ATOM 0 HA ASP A 63 0.220 3.175 -7.627 1.00 74.34 H new ATOM 0 HB2 ASP A 63 2.120 4.639 -8.065 1.00 23.32 H new ATOM 0 HB3 ASP A 63 3.186 3.622 -7.116 1.00 23.32 H new ATOM 977 N GLU A 64 1.487 1.227 -5.464 1.00 75.32 N ATOM 978 CA GLU A 64 1.688 -0.162 -5.065 1.00 54.35 C ATOM 979 C GLU A 64 0.372 -0.935 -5.105 1.00 53.10 C ATOM 980 O GLU A 64 0.350 -2.131 -5.396 1.00 12.13 O ATOM 981 CB GLU A 64 2.290 -0.230 -3.660 1.00 61.45 C ATOM 982 CG GLU A 64 3.456 0.720 -3.451 1.00 75.42 C ATOM 983 CD GLU A 64 4.288 0.364 -2.234 1.00 23.52 C ATOM 984 OE1 GLU A 64 3.760 0.459 -1.107 1.00 32.11 O ATOM 985 OE2 GLU A 64 5.466 -0.010 -2.409 1.00 21.34 O ATOM 0 H GLU A 64 1.495 1.893 -4.692 1.00 75.32 H new ATOM 0 HA GLU A 64 2.380 -0.620 -5.771 1.00 54.35 H new ATOM 0 HB2 GLU A 64 1.513 -0.004 -2.930 1.00 61.45 H new ATOM 0 HB3 GLU A 64 2.624 -1.249 -3.466 1.00 61.45 H new ATOM 0 HG2 GLU A 64 4.091 0.710 -4.337 1.00 75.42 H new ATOM 0 HG3 GLU A 64 3.077 1.736 -3.343 1.00 75.42 H new ATOM 993 N LYS A 65 -0.723 -0.243 -4.809 1.00 53.32 N ATOM 994 CA LYS A 65 -2.044 -0.861 -4.811 1.00 3.13 C ATOM 995 C LYS A 65 -2.772 -0.584 -6.123 1.00 15.13 C ATOM 996 O LYS A 65 -3.576 -1.396 -6.583 1.00 25.44 O ATOM 997 CB LYS A 65 -2.874 -0.344 -3.635 1.00 32.10 C ATOM 998 CG LYS A 65 -3.501 1.017 -3.885 1.00 11.04 C ATOM 999 CD LYS A 65 -4.168 1.563 -2.633 1.00 44.15 C ATOM 1000 CE LYS A 65 -5.287 0.649 -2.154 1.00 24.53 C ATOM 1001 NZ LYS A 65 -4.885 -0.138 -0.956 1.00 25.04 N ATOM 0 H LYS A 65 -0.722 0.747 -4.564 1.00 53.32 H new ATOM 0 HA LYS A 65 -1.914 -1.938 -4.709 1.00 3.13 H new ATOM 0 HB2 LYS A 65 -3.663 -1.063 -3.414 1.00 32.10 H new ATOM 0 HB3 LYS A 65 -2.239 -0.285 -2.751 1.00 32.10 H new ATOM 0 HG2 LYS A 65 -2.735 1.715 -4.224 1.00 11.04 H new ATOM 0 HG3 LYS A 65 -4.237 0.938 -4.685 1.00 11.04 H new ATOM 0 HD2 LYS A 65 -3.425 1.675 -1.843 1.00 44.15 H new ATOM 0 HD3 LYS A 65 -4.569 2.556 -2.837 1.00 44.15 H new ATOM 0 HE2 LYS A 65 -6.168 1.246 -1.918 1.00 24.53 H new ATOM 0 HE3 LYS A 65 -5.569 -0.031 -2.957 1.00 24.53 H new ATOM 0 HZ1 LYS A 65 -5.735 -0.464 -0.453 1.00 25.04 H new ATOM 0 HZ2 LYS A 65 -4.323 -0.961 -1.254 1.00 25.04 H new ATOM 0 HZ3 LYS A 65 -4.316 0.460 -0.323 1.00 25.04 H new ATOM 1015 N THR A 66 -2.486 0.568 -6.721 1.00 4.12 N ATOM 1016 CA THR A 66 -3.114 0.952 -7.979 1.00 72.21 C ATOM 1017 C THR A 66 -2.594 0.104 -9.134 1.00 70.23 C ATOM 1018 O THR A 66 -3.311 -0.150 -10.102 1.00 71.13 O ATOM 1019 CB THR A 66 -2.869 2.440 -8.298 1.00 65.24 C ATOM 1020 OG1 THR A 66 -3.317 3.255 -7.210 1.00 63.44 O ATOM 1021 CG2 THR A 66 -3.593 2.845 -9.573 1.00 23.33 C ATOM 0 H THR A 66 -1.823 1.251 -6.354 1.00 4.12 H new ATOM 0 HA THR A 66 -4.185 0.785 -7.862 1.00 72.21 H new ATOM 0 HB THR A 66 -1.799 2.586 -8.444 1.00 65.24 H new ATOM 0 HG1 THR A 66 -2.594 3.352 -6.555 1.00 63.44 H new ATOM 0 HG21 THR A 66 -3.406 3.899 -9.779 1.00 23.33 H new ATOM 0 HG22 THR A 66 -3.229 2.243 -10.405 1.00 23.33 H new ATOM 0 HG23 THR A 66 -4.664 2.684 -9.450 1.00 23.33 H new ATOM 1029 N MET A 67 -1.343 -0.331 -9.026 1.00 41.34 N ATOM 1030 CA MET A 67 -0.729 -1.153 -10.062 1.00 61.11 C ATOM 1031 C MET A 67 -1.619 -2.342 -10.412 1.00 24.32 C ATOM 1032 O MET A 67 -2.061 -2.504 -11.550 1.00 32.41 O ATOM 1033 CB MET A 67 0.645 -1.647 -9.603 1.00 45.51 C ATOM 1034 CG MET A 67 1.804 -0.897 -10.241 1.00 43.21 C ATOM 1035 SD MET A 67 2.449 -1.730 -11.704 1.00 4.43 S ATOM 1036 CE MET A 67 1.311 -1.145 -12.957 1.00 51.33 C ATOM 0 H MET A 67 -0.735 -0.128 -8.232 1.00 41.34 H new ATOM 0 HA MET A 67 -0.607 -0.538 -10.954 1.00 61.11 H new ATOM 0 HB2 MET A 67 0.713 -1.551 -8.519 1.00 45.51 H new ATOM 0 HB3 MET A 67 0.737 -2.708 -9.836 1.00 45.51 H new ATOM 0 HG2 MET A 67 1.476 0.106 -10.514 1.00 43.21 H new ATOM 0 HG3 MET A 67 2.604 -0.783 -9.510 1.00 43.21 H new ATOM 0 HE1 MET A 67 1.787 -1.201 -13.936 1.00 51.33 H new ATOM 0 HE2 MET A 67 0.415 -1.766 -12.953 1.00 51.33 H new ATOM 0 HE3 MET A 67 1.037 -0.111 -12.746 1.00 51.33 H new ATOM 1046 N PRO A 68 -1.887 -3.195 -9.413 1.00 60.11 N ATOM 1047 CA PRO A 68 -2.726 -4.384 -9.590 1.00 3.11 C ATOM 1048 C PRO A 68 -4.193 -4.031 -9.814 1.00 4.00 C ATOM 1049 O PRO A 68 -4.984 -4.867 -10.249 1.00 62.23 O ATOM 1050 CB PRO A 68 -2.554 -5.141 -8.271 1.00 25.53 C ATOM 1051 CG PRO A 68 -2.193 -4.092 -7.277 1.00 23.34 C ATOM 1052 CD PRO A 68 -1.393 -3.065 -8.031 1.00 52.12 C ATOM 0 HA PRO A 68 -2.435 -4.960 -10.468 1.00 3.11 H new ATOM 0 HB2 PRO A 68 -3.472 -5.656 -7.987 1.00 25.53 H new ATOM 0 HB3 PRO A 68 -1.774 -5.899 -8.348 1.00 25.53 H new ATOM 0 HG2 PRO A 68 -3.086 -3.646 -6.838 1.00 23.34 H new ATOM 0 HG3 PRO A 68 -1.612 -4.515 -6.457 1.00 23.34 H new ATOM 0 HD2 PRO A 68 -1.556 -2.061 -7.639 1.00 52.12 H new ATOM 0 HD3 PRO A 68 -0.323 -3.262 -7.966 1.00 52.12 H new ATOM 1060 N VAL A 69 -4.548 -2.786 -9.516 1.00 13.33 N ATOM 1061 CA VAL A 69 -5.920 -2.321 -9.686 1.00 10.31 C ATOM 1062 C VAL A 69 -6.205 -1.970 -11.142 1.00 34.31 C ATOM 1063 O VAL A 69 -7.121 -2.517 -11.756 1.00 21.14 O ATOM 1064 CB VAL A 69 -6.208 -1.090 -8.806 1.00 12.31 C ATOM 1065 CG1 VAL A 69 -7.478 -0.389 -9.268 1.00 20.20 C ATOM 1066 CG2 VAL A 69 -6.314 -1.493 -7.343 1.00 1.31 C ATOM 0 H VAL A 69 -3.905 -2.081 -9.156 1.00 13.33 H new ATOM 0 HA VAL A 69 -6.572 -3.139 -9.379 1.00 10.31 H new ATOM 0 HB VAL A 69 -5.378 -0.391 -8.907 1.00 12.31 H new ATOM 0 HG11 VAL A 69 -7.666 0.478 -8.635 1.00 20.20 H new ATOM 0 HG12 VAL A 69 -7.359 -0.065 -10.302 1.00 20.20 H new ATOM 0 HG13 VAL A 69 -8.320 -1.078 -9.199 1.00 20.20 H new ATOM 0 HG21 VAL A 69 -6.518 -0.611 -6.736 1.00 1.31 H new ATOM 0 HG22 VAL A 69 -7.124 -2.212 -7.221 1.00 1.31 H new ATOM 0 HG23 VAL A 69 -5.376 -1.946 -7.021 1.00 1.31 H new ATOM 1076 N LEU A 70 -5.413 -1.053 -11.689 1.00 64.10 N ATOM 1077 CA LEU A 70 -5.578 -0.629 -13.075 1.00 13.31 C ATOM 1078 C LEU A 70 -5.444 -1.813 -14.027 1.00 4.12 C ATOM 1079 O LEU A 70 -6.240 -1.971 -14.952 1.00 61.40 O ATOM 1080 CB LEU A 70 -4.547 0.444 -13.427 1.00 31.03 C ATOM 1081 CG LEU A 70 -3.080 0.024 -13.322 1.00 11.12 C ATOM 1082 CD1 LEU A 70 -2.578 -0.500 -14.658 1.00 4.54 C ATOM 1083 CD2 LEU A 70 -2.224 1.190 -12.850 1.00 73.22 C ATOM 0 H LEU A 70 -4.651 -0.590 -11.194 1.00 64.10 H new ATOM 0 HA LEU A 70 -6.579 -0.211 -13.184 1.00 13.31 H new ATOM 0 HB2 LEU A 70 -4.736 0.781 -14.446 1.00 31.03 H new ATOM 0 HB3 LEU A 70 -4.707 1.301 -12.773 1.00 31.03 H new ATOM 0 HG LEU A 70 -3.004 -0.778 -12.588 1.00 11.12 H new ATOM 0 HD11 LEU A 70 -1.533 -0.794 -14.564 1.00 4.54 H new ATOM 0 HD12 LEU A 70 -3.172 -1.364 -14.957 1.00 4.54 H new ATOM 0 HD13 LEU A 70 -2.669 0.281 -15.413 1.00 4.54 H new ATOM 0 HD21 LEU A 70 -1.183 0.873 -12.781 1.00 73.22 H new ATOM 0 HD22 LEU A 70 -2.306 2.013 -13.560 1.00 73.22 H new ATOM 0 HD23 LEU A 70 -2.568 1.521 -11.870 1.00 73.22 H new ATOM 1095 N MET A 71 -4.432 -2.641 -13.793 1.00 62.24 N ATOM 1096 CA MET A 71 -4.195 -3.813 -14.629 1.00 72.35 C ATOM 1097 C MET A 71 -5.412 -4.734 -14.630 1.00 44.00 C ATOM 1098 O MET A 71 -5.628 -5.492 -15.576 1.00 63.00 O ATOM 1099 CB MET A 71 -2.964 -4.577 -14.136 1.00 13.31 C ATOM 1100 CG MET A 71 -1.724 -4.342 -14.985 1.00 73.02 C ATOM 1101 SD MET A 71 -1.917 -4.936 -16.676 1.00 53.12 S ATOM 1102 CE MET A 71 -2.166 -3.393 -17.551 1.00 20.22 C ATOM 0 H MET A 71 -3.763 -2.523 -13.032 1.00 62.24 H new ATOM 0 HA MET A 71 -4.018 -3.472 -15.649 1.00 72.35 H new ATOM 0 HB2 MET A 71 -2.752 -4.284 -13.108 1.00 13.31 H new ATOM 0 HB3 MET A 71 -3.189 -5.643 -14.123 1.00 13.31 H new ATOM 0 HG2 MET A 71 -1.497 -3.276 -15.002 1.00 73.02 H new ATOM 0 HG3 MET A 71 -0.872 -4.842 -14.523 1.00 73.02 H new ATOM 0 HE1 MET A 71 -1.799 -3.491 -18.573 1.00 20.22 H new ATOM 0 HE2 MET A 71 -3.229 -3.152 -17.569 1.00 20.22 H new ATOM 0 HE3 MET A 71 -1.622 -2.596 -17.045 1.00 20.22 H new ATOM 1112 N LYS A 72 -6.203 -4.665 -13.565 1.00 32.33 N ATOM 1113 CA LYS A 72 -7.398 -5.490 -13.444 1.00 24.52 C ATOM 1114 C LYS A 72 -8.444 -5.089 -14.478 1.00 15.42 C ATOM 1115 O LYS A 72 -9.234 -5.918 -14.931 1.00 2.50 O ATOM 1116 CB LYS A 72 -7.985 -5.371 -12.036 1.00 70.23 C ATOM 1117 CG LYS A 72 -9.026 -6.431 -11.718 1.00 11.11 C ATOM 1118 CD LYS A 72 -9.072 -6.738 -10.231 1.00 61.02 C ATOM 1119 CE LYS A 72 -7.842 -7.512 -9.782 1.00 2.31 C ATOM 1120 NZ LYS A 72 -8.106 -8.308 -8.552 1.00 23.04 N ATOM 0 H LYS A 72 -6.037 -4.045 -12.772 1.00 32.33 H new ATOM 0 HA LYS A 72 -7.113 -6.526 -13.626 1.00 24.52 H new ATOM 0 HB2 LYS A 72 -7.177 -5.438 -11.308 1.00 70.23 H new ATOM 0 HB3 LYS A 72 -8.436 -4.385 -11.922 1.00 70.23 H new ATOM 0 HG2 LYS A 72 -10.007 -6.091 -12.051 1.00 11.11 H new ATOM 0 HG3 LYS A 72 -8.800 -7.342 -12.272 1.00 11.11 H new ATOM 0 HD2 LYS A 72 -9.142 -5.807 -9.668 1.00 61.02 H new ATOM 0 HD3 LYS A 72 -9.969 -7.315 -10.005 1.00 61.02 H new ATOM 0 HE2 LYS A 72 -7.519 -8.177 -10.583 1.00 2.31 H new ATOM 0 HE3 LYS A 72 -7.023 -6.817 -9.596 1.00 2.31 H new ATOM 0 HZ1 LYS A 72 -7.243 -8.821 -8.279 1.00 23.04 H new ATOM 0 HZ2 LYS A 72 -8.389 -7.671 -7.780 1.00 23.04 H new ATOM 0 HZ3 LYS A 72 -8.870 -8.989 -8.737 1.00 23.04 H new ATOM 1134 N LEU A 73 -8.445 -3.813 -14.847 1.00 23.20 N ATOM 1135 CA LEU A 73 -9.394 -3.301 -15.830 1.00 33.35 C ATOM 1136 C LEU A 73 -9.002 -3.731 -17.240 1.00 40.40 C ATOM 1137 O LEU A 73 -9.853 -4.121 -18.041 1.00 52.14 O ATOM 1138 CB LEU A 73 -9.467 -1.775 -15.752 1.00 35.32 C ATOM 1139 CG LEU A 73 -9.292 -1.166 -14.360 1.00 22.45 C ATOM 1140 CD1 LEU A 73 -9.484 0.342 -14.410 1.00 72.23 C ATOM 1141 CD2 LEU A 73 -10.264 -1.798 -13.375 1.00 23.13 C ATOM 0 H LEU A 73 -7.799 -3.114 -14.480 1.00 23.20 H new ATOM 0 HA LEU A 73 -10.375 -3.717 -15.602 1.00 33.35 H new ATOM 0 HB2 LEU A 73 -8.701 -1.360 -16.407 1.00 35.32 H new ATOM 0 HB3 LEU A 73 -10.431 -1.456 -16.148 1.00 35.32 H new ATOM 0 HG LEU A 73 -8.277 -1.371 -14.019 1.00 22.45 H new ATOM 0 HD11 LEU A 73 -9.356 0.758 -13.411 1.00 72.23 H new ATOM 0 HD12 LEU A 73 -8.747 0.780 -15.083 1.00 72.23 H new ATOM 0 HD13 LEU A 73 -10.487 0.569 -14.772 1.00 72.23 H new ATOM 0 HD21 LEU A 73 -10.125 -1.352 -12.390 1.00 23.13 H new ATOM 0 HD22 LEU A 73 -11.286 -1.625 -13.711 1.00 23.13 H new ATOM 0 HD23 LEU A 73 -10.078 -2.870 -13.318 1.00 23.13 H new ATOM 1153 N LEU A 74 -7.710 -3.659 -17.537 1.00 5.52 N ATOM 1154 CA LEU A 74 -7.204 -4.044 -18.851 1.00 12.44 C ATOM 1155 C LEU A 74 -7.360 -5.543 -19.077 1.00 51.15 C ATOM 1156 O LEU A 74 -7.419 -6.006 -20.216 1.00 63.12 O ATOM 1157 CB LEU A 74 -5.734 -3.645 -18.990 1.00 23.33 C ATOM 1158 CG LEU A 74 -5.454 -2.149 -19.132 1.00 14.15 C ATOM 1159 CD1 LEU A 74 -6.272 -1.558 -20.269 1.00 42.22 C ATOM 1160 CD2 LEU A 74 -5.751 -1.424 -17.827 1.00 53.13 C ATOM 0 H LEU A 74 -6.993 -3.338 -16.887 1.00 5.52 H new ATOM 0 HA LEU A 74 -7.789 -3.519 -19.606 1.00 12.44 H new ATOM 0 HB2 LEU A 74 -5.194 -4.014 -18.118 1.00 23.33 H new ATOM 0 HB3 LEU A 74 -5.321 -4.156 -19.860 1.00 23.33 H new ATOM 0 HG LEU A 74 -4.397 -2.018 -19.365 1.00 14.15 H new ATOM 0 HD11 LEU A 74 -6.059 -0.492 -20.355 1.00 42.22 H new ATOM 0 HD12 LEU A 74 -6.011 -2.056 -21.203 1.00 42.22 H new ATOM 0 HD13 LEU A 74 -7.333 -1.701 -20.066 1.00 42.22 H new ATOM 0 HD21 LEU A 74 -5.546 -0.360 -17.947 1.00 53.13 H new ATOM 0 HD22 LEU A 74 -6.799 -1.564 -17.563 1.00 53.13 H new ATOM 0 HD23 LEU A 74 -5.121 -1.828 -17.035 1.00 53.13 H new ATOM 1172 N GLU A 75 -7.429 -6.297 -17.985 1.00 60.54 N ATOM 1173 CA GLU A 75 -7.579 -7.745 -18.064 1.00 44.02 C ATOM 1174 C GLU A 75 -8.855 -8.119 -18.815 1.00 60.42 C ATOM 1175 O GLU A 75 -8.818 -8.878 -19.782 1.00 60.11 O ATOM 1176 CB GLU A 75 -7.602 -8.357 -16.663 1.00 74.11 C ATOM 1177 CG GLU A 75 -6.224 -8.501 -16.039 1.00 63.40 C ATOM 1178 CD GLU A 75 -5.535 -9.792 -16.438 1.00 41.43 C ATOM 1179 OE1 GLU A 75 -4.316 -9.756 -16.703 1.00 21.22 O ATOM 1180 OE2 GLU A 75 -6.216 -10.837 -16.487 1.00 25.50 O ATOM 0 H GLU A 75 -7.383 -5.929 -17.035 1.00 60.54 H new ATOM 0 HA GLU A 75 -6.724 -8.143 -18.611 1.00 44.02 H new ATOM 0 HB2 GLU A 75 -8.222 -7.737 -16.015 1.00 74.11 H new ATOM 0 HB3 GLU A 75 -8.074 -9.338 -16.712 1.00 74.11 H new ATOM 0 HG2 GLU A 75 -5.604 -7.655 -16.337 1.00 63.40 H new ATOM 0 HG3 GLU A 75 -6.315 -8.462 -14.953 1.00 63.40 H new ATOM 1188 N GLU A 76 -9.982 -7.580 -18.360 1.00 32.52 N ATOM 1189 CA GLU A 76 -11.268 -7.859 -18.987 1.00 15.44 C ATOM 1190 C GLU A 76 -11.431 -7.055 -20.274 1.00 13.25 C ATOM 1191 O GLU A 76 -12.093 -7.494 -21.214 1.00 61.22 O ATOM 1192 CB GLU A 76 -12.411 -7.535 -18.023 1.00 55.22 C ATOM 1193 CG GLU A 76 -12.216 -8.113 -16.630 1.00 3.41 C ATOM 1194 CD GLU A 76 -13.523 -8.290 -15.883 1.00 43.32 C ATOM 1195 OE1 GLU A 76 -13.506 -8.226 -14.636 1.00 12.41 O ATOM 1196 OE2 GLU A 76 -14.563 -8.492 -16.545 1.00 62.11 O ATOM 0 H GLU A 76 -10.030 -6.948 -17.560 1.00 32.52 H new ATOM 0 HA GLU A 76 -11.300 -8.920 -19.235 1.00 15.44 H new ATOM 0 HB2 GLU A 76 -12.515 -6.453 -17.947 1.00 55.22 H new ATOM 0 HB3 GLU A 76 -13.344 -7.916 -18.438 1.00 55.22 H new ATOM 0 HG2 GLU A 76 -11.713 -9.077 -16.708 1.00 3.41 H new ATOM 0 HG3 GLU A 76 -11.561 -7.457 -16.057 1.00 3.41 H new ATOM 1204 N ALA A 77 -10.824 -5.873 -20.307 1.00 65.11 N ATOM 1205 CA ALA A 77 -10.900 -5.008 -21.478 1.00 63.21 C ATOM 1206 C ALA A 77 -9.855 -5.398 -22.518 1.00 0.02 C ATOM 1207 O ALA A 77 -9.711 -4.738 -23.546 1.00 3.32 O ATOM 1208 CB ALA A 77 -10.724 -3.552 -21.071 1.00 44.01 C ATOM 0 H ALA A 77 -10.274 -5.493 -19.536 1.00 65.11 H new ATOM 0 HA ALA A 77 -11.885 -5.132 -21.927 1.00 63.21 H new ATOM 0 HB1 ALA A 77 -10.783 -2.917 -21.955 1.00 44.01 H new ATOM 0 HB2 ALA A 77 -11.511 -3.272 -20.371 1.00 44.01 H new ATOM 0 HB3 ALA A 77 -9.752 -3.422 -20.595 1.00 44.01 H new ATOM 1214 N GLY A 78 -9.125 -6.475 -22.242 1.00 53.25 N ATOM 1215 CA GLY A 78 -8.102 -6.935 -23.163 1.00 11.41 C ATOM 1216 C GLY A 78 -7.104 -5.847 -23.509 1.00 11.34 C ATOM 1217 O GLY A 78 -6.466 -5.892 -24.560 1.00 0.05 O ATOM 0 H GLY A 78 -9.224 -7.037 -21.397 1.00 53.25 H new ATOM 0 HA2 GLY A 78 -7.575 -7.781 -22.723 1.00 11.41 H new ATOM 0 HA3 GLY A 78 -8.575 -7.294 -24.077 1.00 11.41 H new ATOM 1221 N GLY A 79 -6.969 -4.865 -22.622 1.00 41.54 N ATOM 1222 CA GLY A 79 -6.042 -3.774 -22.859 1.00 71.54 C ATOM 1223 C GLY A 79 -6.679 -2.624 -23.613 1.00 42.04 C ATOM 1224 O GLY A 79 -6.050 -2.018 -24.479 1.00 1.42 O ATOM 0 H GLY A 79 -7.485 -4.806 -21.744 1.00 41.54 H new ATOM 0 HA2 GLY A 79 -5.661 -3.411 -21.904 1.00 71.54 H new ATOM 0 HA3 GLY A 79 -5.186 -4.145 -23.424 1.00 71.54 H new ATOM 1228 N ASN A 80 -7.931 -2.325 -23.284 1.00 45.44 N ATOM 1229 CA ASN A 80 -8.655 -1.242 -23.940 1.00 12.41 C ATOM 1230 C ASN A 80 -8.990 -0.133 -22.947 1.00 34.13 C ATOM 1231 O ASN A 80 -9.905 -0.268 -22.134 1.00 44.02 O ATOM 1232 CB ASN A 80 -9.940 -1.772 -24.581 1.00 24.42 C ATOM 1233 CG ASN A 80 -10.273 -1.063 -25.879 1.00 74.01 C ATOM 1234 OD1 ASN A 80 -10.820 0.142 -25.771 1.00 44.52 O flip ATOM 1235 ND2 ASN A 80 -10.041 -1.593 -26.965 1.00 12.02 N flip ATOM 0 H ASN A 80 -8.465 -2.817 -22.568 1.00 45.44 H new ATOM 0 HA ASN A 80 -8.013 -0.829 -24.718 1.00 12.41 H new ATOM 0 HB2 ASN A 80 -9.835 -2.840 -24.770 1.00 24.42 H new ATOM 0 HB3 ASN A 80 -10.768 -1.652 -23.882 1.00 24.42 H new ATOM 0 HD21 ASN A 80 -9.619 -2.521 -27.000 1.00 12.02 H new ATOM 0 HD22 ASN A 80 -10.270 -1.104 -27.830 1.00 12.02 H new ATOM 1242 N TRP A 81 -8.243 0.963 -23.019 1.00 34.41 N ATOM 1243 CA TRP A 81 -8.461 2.096 -22.126 1.00 31.22 C ATOM 1244 C TRP A 81 -9.630 2.949 -22.605 1.00 34.32 C ATOM 1245 O TRP A 81 -10.219 3.702 -21.829 1.00 42.50 O ATOM 1246 CB TRP A 81 -7.194 2.949 -22.034 1.00 54.22 C ATOM 1247 CG TRP A 81 -6.006 2.195 -21.520 1.00 63.04 C ATOM 1248 CD1 TRP A 81 -5.200 1.353 -22.231 1.00 20.24 C ATOM 1249 CD2 TRP A 81 -5.491 2.213 -20.184 1.00 74.31 C ATOM 1250 NE1 TRP A 81 -4.214 0.847 -21.419 1.00 75.24 N ATOM 1251 CE2 TRP A 81 -4.371 1.359 -20.157 1.00 41.21 C ATOM 1252 CE3 TRP A 81 -5.866 2.868 -19.008 1.00 61.13 C ATOM 1253 CZ2 TRP A 81 -3.626 1.145 -19.001 1.00 63.11 C ATOM 1254 CZ3 TRP A 81 -5.127 2.654 -17.861 1.00 25.42 C ATOM 1255 CH2 TRP A 81 -4.017 1.799 -17.864 1.00 23.55 C ATOM 0 H TRP A 81 -7.482 1.091 -23.686 1.00 34.41 H new ATOM 0 HA TRP A 81 -8.702 1.707 -21.137 1.00 31.22 H new ATOM 0 HB2 TRP A 81 -6.962 3.349 -23.021 1.00 54.22 H new ATOM 0 HB3 TRP A 81 -7.385 3.801 -21.381 1.00 54.22 H new ATOM 0 HD1 TRP A 81 -5.320 1.119 -23.278 1.00 20.24 H new ATOM 0 HE1 TRP A 81 -3.484 0.196 -21.708 1.00 75.24 H new ATOM 0 HE3 TRP A 81 -6.719 3.530 -18.996 1.00 61.13 H new ATOM 0 HZ2 TRP A 81 -2.770 0.486 -19.001 1.00 63.11 H new ATOM 0 HZ3 TRP A 81 -5.409 3.154 -16.946 1.00 25.42 H new ATOM 0 HH2 TRP A 81 -3.459 1.653 -16.951 1.00 23.55 H new ATOM 1266 N SER A 82 -9.961 2.827 -23.886 1.00 71.24 N ATOM 1267 CA SER A 82 -11.058 3.590 -24.469 1.00 73.11 C ATOM 1268 C SER A 82 -12.330 3.431 -23.640 1.00 44.05 C ATOM 1269 O SER A 82 -12.946 4.416 -23.233 1.00 62.52 O ATOM 1270 CB SER A 82 -11.314 3.138 -25.908 1.00 11.02 C ATOM 1271 OG SER A 82 -11.859 4.192 -26.683 1.00 13.15 O ATOM 0 H SER A 82 -9.485 2.206 -24.541 1.00 71.24 H new ATOM 0 HA SER A 82 -10.775 4.643 -24.472 1.00 73.11 H new ATOM 0 HB2 SER A 82 -10.381 2.797 -26.357 1.00 11.02 H new ATOM 0 HB3 SER A 82 -11.998 2.289 -25.910 1.00 11.02 H new ATOM 0 HG SER A 82 -12.012 3.879 -27.599 1.00 13.15 H new ATOM 1277 N TYR A 83 -12.717 2.184 -23.396 1.00 51.25 N ATOM 1278 CA TYR A 83 -13.917 1.894 -22.619 1.00 31.53 C ATOM 1279 C TYR A 83 -13.658 2.084 -21.127 1.00 43.44 C ATOM 1280 O TYR A 83 -14.492 2.633 -20.407 1.00 33.34 O ATOM 1281 CB TYR A 83 -14.391 0.466 -22.888 1.00 43.33 C ATOM 1282 CG TYR A 83 -15.264 -0.100 -21.791 1.00 32.22 C ATOM 1283 CD1 TYR A 83 -16.643 0.063 -21.819 1.00 45.43 C ATOM 1284 CD2 TYR A 83 -14.709 -0.796 -20.724 1.00 53.11 C ATOM 1285 CE1 TYR A 83 -17.445 -0.452 -20.818 1.00 14.13 C ATOM 1286 CE2 TYR A 83 -15.503 -1.315 -19.720 1.00 35.35 C ATOM 1287 CZ TYR A 83 -16.869 -1.140 -19.770 1.00 12.43 C ATOM 1288 OH TYR A 83 -17.663 -1.653 -18.771 1.00 65.22 O ATOM 0 H TYR A 83 -12.218 1.358 -23.725 1.00 51.25 H new ATOM 0 HA TYR A 83 -14.696 2.592 -22.926 1.00 31.53 H new ATOM 0 HB2 TYR A 83 -14.944 0.447 -23.827 1.00 43.33 H new ATOM 0 HB3 TYR A 83 -13.521 -0.178 -23.017 1.00 43.33 H new ATOM 0 HD1 TYR A 83 -17.097 0.602 -22.638 1.00 45.43 H new ATOM 0 HD2 TYR A 83 -13.639 -0.933 -20.679 1.00 53.11 H new ATOM 0 HE1 TYR A 83 -18.516 -0.317 -20.856 1.00 14.13 H new ATOM 0 HE2 TYR A 83 -15.055 -1.856 -18.899 1.00 35.35 H new ATOM 0 HH TYR A 83 -17.102 -2.110 -18.109 1.00 65.22 H new ATOM 1298 N ILE A 84 -12.497 1.624 -20.672 1.00 61.14 N ATOM 1299 CA ILE A 84 -12.128 1.743 -19.267 1.00 22.45 C ATOM 1300 C ILE A 84 -12.121 3.202 -18.823 1.00 62.42 C ATOM 1301 O ILE A 84 -12.315 3.506 -17.645 1.00 64.54 O ATOM 1302 CB ILE A 84 -10.742 1.130 -18.996 1.00 71.52 C ATOM 1303 CG1 ILE A 84 -10.766 -0.377 -19.263 1.00 75.52 C ATOM 1304 CG2 ILE A 84 -10.307 1.413 -17.566 1.00 54.13 C ATOM 1305 CD1 ILE A 84 -9.397 -1.019 -19.224 1.00 72.21 C ATOM 0 H ILE A 84 -11.797 1.166 -21.255 1.00 61.14 H new ATOM 0 HA ILE A 84 -12.877 1.195 -18.696 1.00 22.45 H new ATOM 0 HB ILE A 84 -10.020 1.589 -19.672 1.00 71.52 H new ATOM 0 HG12 ILE A 84 -11.406 -0.859 -18.523 1.00 75.52 H new ATOM 0 HG13 ILE A 84 -11.216 -0.558 -20.239 1.00 75.52 H new ATOM 0 HG21 ILE A 84 -9.325 0.973 -17.390 1.00 54.13 H new ATOM 0 HG22 ILE A 84 -10.255 2.490 -17.408 1.00 54.13 H new ATOM 0 HG23 ILE A 84 -11.028 0.979 -16.874 1.00 54.13 H new ATOM 0 HD11 ILE A 84 -9.490 -2.087 -19.422 1.00 72.21 H new ATOM 0 HD12 ILE A 84 -8.760 -0.564 -19.982 1.00 72.21 H new ATOM 0 HD13 ILE A 84 -8.953 -0.870 -18.240 1.00 72.21 H new ATOM 1317 N LYS A 85 -11.899 4.104 -19.773 1.00 73.52 N ATOM 1318 CA LYS A 85 -11.870 5.532 -19.482 1.00 41.00 C ATOM 1319 C LYS A 85 -13.217 6.178 -19.791 1.00 41.14 C ATOM 1320 O LYS A 85 -13.351 7.401 -19.761 1.00 3.41 O ATOM 1321 CB LYS A 85 -10.766 6.217 -20.291 1.00 65.32 C ATOM 1322 CG LYS A 85 -11.234 6.739 -21.638 1.00 50.14 C ATOM 1323 CD LYS A 85 -10.121 6.699 -22.671 1.00 21.33 C ATOM 1324 CE LYS A 85 -8.848 7.343 -22.142 1.00 65.34 C ATOM 1325 NZ LYS A 85 -9.097 8.711 -21.613 1.00 34.14 N ATOM 0 H LYS A 85 -11.736 3.871 -20.753 1.00 73.52 H new ATOM 0 HA LYS A 85 -11.663 5.656 -18.419 1.00 41.00 H new ATOM 0 HB2 LYS A 85 -10.362 7.046 -19.710 1.00 65.32 H new ATOM 0 HB3 LYS A 85 -9.951 5.511 -20.448 1.00 65.32 H new ATOM 0 HG2 LYS A 85 -12.077 6.142 -21.987 1.00 50.14 H new ATOM 0 HG3 LYS A 85 -11.592 7.763 -21.528 1.00 50.14 H new ATOM 0 HD2 LYS A 85 -9.918 5.665 -22.950 1.00 21.33 H new ATOM 0 HD3 LYS A 85 -10.443 7.216 -23.575 1.00 21.33 H new ATOM 0 HE2 LYS A 85 -8.427 6.720 -21.353 1.00 65.34 H new ATOM 0 HE3 LYS A 85 -8.107 7.392 -22.940 1.00 65.34 H new ATOM 0 HZ1 LYS A 85 -8.282 9.320 -21.828 1.00 34.14 H new ATOM 0 HZ2 LYS A 85 -9.950 9.105 -22.058 1.00 34.14 H new ATOM 0 HZ3 LYS A 85 -9.233 8.665 -20.583 1.00 34.14 H new ATOM 1339 N LEU A 86 -14.212 5.348 -20.088 1.00 32.42 N ATOM 1340 CA LEU A 86 -15.549 5.838 -20.401 1.00 61.24 C ATOM 1341 C LEU A 86 -16.156 6.567 -19.206 1.00 44.15 C ATOM 1342 O LEU A 86 -17.125 7.312 -19.349 1.00 54.05 O ATOM 1343 CB LEU A 86 -16.454 4.678 -20.819 1.00 71.52 C ATOM 1344 CG LEU A 86 -17.815 5.063 -21.400 1.00 5.01 C ATOM 1345 CD1 LEU A 86 -17.805 4.928 -22.915 1.00 63.12 C ATOM 1346 CD2 LEU A 86 -18.916 4.207 -20.794 1.00 60.04 C ATOM 0 H LEU A 86 -14.117 4.333 -20.118 1.00 32.42 H new ATOM 0 HA LEU A 86 -15.466 6.542 -21.229 1.00 61.24 H new ATOM 0 HB2 LEU A 86 -15.923 4.077 -21.558 1.00 71.52 H new ATOM 0 HB3 LEU A 86 -16.620 4.041 -19.950 1.00 71.52 H new ATOM 0 HG LEU A 86 -18.014 6.105 -21.149 1.00 5.01 H new ATOM 0 HD11 LEU A 86 -18.782 5.206 -23.312 1.00 63.12 H new ATOM 0 HD12 LEU A 86 -17.043 5.585 -23.334 1.00 63.12 H new ATOM 0 HD13 LEU A 86 -17.583 3.896 -23.187 1.00 63.12 H new ATOM 0 HD21 LEU A 86 -19.877 4.496 -21.220 1.00 60.04 H new ATOM 0 HD22 LEU A 86 -18.723 3.157 -21.013 1.00 60.04 H new ATOM 0 HD23 LEU A 86 -18.939 4.354 -19.714 1.00 60.04 H new ATOM 1358 N ASP A 87 -15.577 6.349 -18.031 1.00 61.22 N ATOM 1359 CA ASP A 87 -16.059 6.988 -16.811 1.00 23.51 C ATOM 1360 C ASP A 87 -14.896 7.532 -15.987 1.00 44.31 C ATOM 1361 O ASP A 87 -14.995 7.664 -14.769 1.00 32.42 O ATOM 1362 CB ASP A 87 -16.871 5.995 -15.977 1.00 33.14 C ATOM 1363 CG ASP A 87 -17.975 5.334 -16.777 1.00 11.21 C ATOM 1364 OD1 ASP A 87 -19.124 5.821 -16.719 1.00 4.21 O ATOM 1365 OD2 ASP A 87 -17.691 4.329 -17.462 1.00 44.33 O ATOM 0 H ASP A 87 -14.774 5.735 -17.897 1.00 61.22 H new ATOM 0 HA ASP A 87 -16.701 7.822 -17.095 1.00 23.51 H new ATOM 0 HB2 ASP A 87 -16.205 5.229 -15.580 1.00 33.14 H new ATOM 0 HB3 ASP A 87 -17.306 6.513 -15.122 1.00 33.14 H new ATOM 1371 N ASN A 88 -13.795 7.845 -16.662 1.00 52.40 N ATOM 1372 CA ASN A 88 -12.612 8.373 -15.992 1.00 14.33 C ATOM 1373 C ASN A 88 -11.981 7.318 -15.089 1.00 60.00 C ATOM 1374 O ASN A 88 -11.528 7.621 -13.986 1.00 73.31 O ATOM 1375 CB ASN A 88 -12.977 9.612 -15.171 1.00 60.23 C ATOM 1376 CG ASN A 88 -11.881 10.659 -15.185 1.00 23.53 C ATOM 1377 OD1 ASN A 88 -12.122 11.823 -15.506 1.00 20.31 O ATOM 1378 ND2 ASN A 88 -10.666 10.249 -14.837 1.00 32.40 N ATOM 0 H ASN A 88 -13.697 7.742 -17.672 1.00 52.40 H new ATOM 0 HA ASN A 88 -11.886 8.652 -16.756 1.00 14.33 H new ATOM 0 HB2 ASN A 88 -13.896 10.047 -15.564 1.00 60.23 H new ATOM 0 HB3 ASN A 88 -13.179 9.316 -14.142 1.00 60.23 H new ATOM 0 HD21 ASN A 88 -9.888 10.909 -14.829 1.00 32.40 H new ATOM 0 HD22 ASN A 88 -10.511 9.275 -14.578 1.00 32.40 H new ATOM 1385 N TYR A 89 -11.955 6.079 -15.567 1.00 31.44 N ATOM 1386 CA TYR A 89 -11.381 4.978 -14.803 1.00 31.24 C ATOM 1387 C TYR A 89 -12.131 4.776 -13.489 1.00 1.13 C ATOM 1388 O TYR A 89 -11.527 4.524 -12.447 1.00 34.25 O ATOM 1389 CB TYR A 89 -9.901 5.241 -14.522 1.00 61.41 C ATOM 1390 CG TYR A 89 -9.083 5.494 -15.769 1.00 35.12 C ATOM 1391 CD1 TYR A 89 -9.398 4.868 -16.968 1.00 43.01 C ATOM 1392 CD2 TYR A 89 -7.997 6.360 -15.747 1.00 41.01 C ATOM 1393 CE1 TYR A 89 -8.653 5.095 -18.110 1.00 32.32 C ATOM 1394 CE2 TYR A 89 -7.247 6.594 -16.884 1.00 14.54 C ATOM 1395 CZ TYR A 89 -7.579 5.960 -18.062 1.00 63.14 C ATOM 1396 OH TYR A 89 -6.836 6.190 -19.197 1.00 61.34 O ATOM 0 H TYR A 89 -12.325 5.812 -16.479 1.00 31.44 H new ATOM 0 HA TYR A 89 -11.476 4.070 -15.398 1.00 31.24 H new ATOM 0 HB2 TYR A 89 -9.813 6.102 -13.859 1.00 61.41 H new ATOM 0 HB3 TYR A 89 -9.483 4.386 -13.991 1.00 61.41 H new ATOM 0 HD1 TYR A 89 -10.239 4.192 -17.009 1.00 43.01 H new ATOM 0 HD2 TYR A 89 -7.734 6.859 -14.826 1.00 41.01 H new ATOM 0 HE1 TYR A 89 -8.910 4.598 -19.034 1.00 32.32 H new ATOM 0 HE2 TYR A 89 -6.405 7.270 -16.850 1.00 14.54 H new ATOM 0 HH TYR A 89 -6.335 5.380 -19.430 1.00 61.34 H new ATOM 1406 N THR A 90 -13.454 4.890 -13.549 1.00 72.24 N ATOM 1407 CA THR A 90 -14.290 4.721 -12.365 1.00 24.01 C ATOM 1408 C THR A 90 -13.967 3.416 -11.646 1.00 12.24 C ATOM 1409 O THR A 90 -14.054 3.334 -10.421 1.00 11.45 O ATOM 1410 CB THR A 90 -15.787 4.738 -12.728 1.00 31.21 C ATOM 1411 OG1 THR A 90 -16.170 6.046 -13.166 1.00 14.41 O ATOM 1412 CG2 THR A 90 -16.636 4.328 -11.535 1.00 61.52 C ATOM 0 H THR A 90 -13.970 5.098 -14.404 1.00 72.24 H new ATOM 0 HA THR A 90 -14.075 5.560 -11.703 1.00 24.01 H new ATOM 0 HB THR A 90 -15.952 4.023 -13.534 1.00 31.21 H new ATOM 0 HG1 THR A 90 -15.443 6.441 -13.692 1.00 14.41 H new ATOM 0 HG21 THR A 90 -17.689 4.347 -11.814 1.00 61.52 H new ATOM 0 HG22 THR A 90 -16.362 3.320 -11.222 1.00 61.52 H new ATOM 0 HG23 THR A 90 -16.466 5.022 -10.712 1.00 61.52 H new ATOM 1420 N ALA A 91 -13.593 2.400 -12.415 1.00 64.35 N ATOM 1421 CA ALA A 91 -13.255 1.098 -11.851 1.00 34.55 C ATOM 1422 C ALA A 91 -12.224 1.237 -10.734 1.00 40.25 C ATOM 1423 O ALA A 91 -12.267 0.506 -9.743 1.00 41.01 O ATOM 1424 CB ALA A 91 -12.736 0.169 -12.937 1.00 42.51 C ATOM 0 H ALA A 91 -13.516 2.452 -13.431 1.00 64.35 H new ATOM 0 HA ALA A 91 -14.161 0.668 -11.425 1.00 34.55 H new ATOM 0 HB1 ALA A 91 -12.488 -0.798 -12.500 1.00 42.51 H new ATOM 0 HB2 ALA A 91 -13.503 0.037 -13.700 1.00 42.51 H new ATOM 0 HB3 ALA A 91 -11.844 0.602 -13.390 1.00 42.51 H new ATOM 1430 N LEU A 92 -11.300 2.175 -10.901 1.00 55.52 N ATOM 1431 CA LEU A 92 -10.258 2.409 -9.907 1.00 42.01 C ATOM 1432 C LEU A 92 -10.848 2.980 -8.623 1.00 53.24 C ATOM 1433 O LEU A 92 -10.378 2.683 -7.524 1.00 40.41 O ATOM 1434 CB LEU A 92 -9.200 3.363 -10.464 1.00 12.12 C ATOM 1435 CG LEU A 92 -9.515 4.855 -10.350 1.00 2.14 C ATOM 1436 CD1 LEU A 92 -9.015 5.406 -9.025 1.00 74.40 C ATOM 1437 CD2 LEU A 92 -8.901 5.620 -11.514 1.00 32.41 C ATOM 0 H LEU A 92 -11.250 2.787 -11.716 1.00 55.52 H new ATOM 0 HA LEU A 92 -9.790 1.452 -9.675 1.00 42.01 H new ATOM 0 HB2 LEU A 92 -8.259 3.170 -9.949 1.00 12.12 H new ATOM 0 HB3 LEU A 92 -9.042 3.125 -11.516 1.00 12.12 H new ATOM 0 HG LEU A 92 -10.597 4.982 -10.388 1.00 2.14 H new ATOM 0 HD11 LEU A 92 -9.248 6.469 -8.962 1.00 74.40 H new ATOM 0 HD12 LEU A 92 -9.502 4.878 -8.205 1.00 74.40 H new ATOM 0 HD13 LEU A 92 -7.936 5.266 -8.957 1.00 74.40 H new ATOM 0 HD21 LEU A 92 -9.135 6.680 -11.417 1.00 32.41 H new ATOM 0 HD22 LEU A 92 -7.819 5.485 -11.508 1.00 32.41 H new ATOM 0 HD23 LEU A 92 -9.308 5.243 -12.452 1.00 32.41 H new ATOM 1449 N VAL A 93 -11.885 3.800 -8.767 1.00 14.13 N ATOM 1450 CA VAL A 93 -12.542 4.411 -7.618 1.00 74.34 C ATOM 1451 C VAL A 93 -13.173 3.353 -6.720 1.00 71.32 C ATOM 1452 O VAL A 93 -12.969 3.352 -5.505 1.00 3.40 O ATOM 1453 CB VAL A 93 -13.630 5.408 -8.058 1.00 53.34 C ATOM 1454 CG1 VAL A 93 -14.518 5.784 -6.882 1.00 60.01 C ATOM 1455 CG2 VAL A 93 -12.998 6.646 -8.676 1.00 21.12 C ATOM 0 H VAL A 93 -12.288 4.056 -9.668 1.00 14.13 H new ATOM 0 HA VAL A 93 -11.773 4.946 -7.061 1.00 74.34 H new ATOM 0 HB VAL A 93 -14.253 4.929 -8.814 1.00 53.34 H new ATOM 0 HG11 VAL A 93 -15.281 6.489 -7.213 1.00 60.01 H new ATOM 0 HG12 VAL A 93 -14.998 4.888 -6.488 1.00 60.01 H new ATOM 0 HG13 VAL A 93 -13.912 6.244 -6.101 1.00 60.01 H new ATOM 0 HG21 VAL A 93 -13.781 7.340 -8.981 1.00 21.12 H new ATOM 0 HG22 VAL A 93 -12.351 7.128 -7.943 1.00 21.12 H new ATOM 0 HG23 VAL A 93 -12.409 6.358 -9.547 1.00 21.12 H new ATOM 1465 N ASP A 94 -13.940 2.452 -7.324 1.00 41.54 N ATOM 1466 CA ASP A 94 -14.600 1.386 -6.579 1.00 12.31 C ATOM 1467 C ASP A 94 -13.599 0.314 -6.163 1.00 33.40 C ATOM 1468 O ASP A 94 -13.769 -0.344 -5.136 1.00 53.11 O ATOM 1469 CB ASP A 94 -15.714 0.761 -7.420 1.00 4.32 C ATOM 1470 CG ASP A 94 -16.730 0.018 -6.574 1.00 4.24 C ATOM 1471 OD1 ASP A 94 -16.806 -1.223 -6.693 1.00 23.21 O ATOM 1472 OD2 ASP A 94 -17.449 0.677 -5.795 1.00 15.24 O ATOM 0 H ASP A 94 -14.120 2.439 -8.328 1.00 41.54 H new ATOM 0 HA ASP A 94 -15.035 1.821 -5.679 1.00 12.31 H new ATOM 0 HB2 ASP A 94 -16.220 1.543 -7.987 1.00 4.32 H new ATOM 0 HB3 ASP A 94 -15.277 0.074 -8.144 1.00 4.32 H new ATOM 1478 N ALA A 95 -12.554 0.142 -6.966 1.00 11.34 N ATOM 1479 CA ALA A 95 -11.524 -0.849 -6.680 1.00 61.02 C ATOM 1480 C ALA A 95 -10.669 -0.425 -5.491 1.00 72.30 C ATOM 1481 O ALA A 95 -10.559 -1.152 -4.503 1.00 30.32 O ATOM 1482 CB ALA A 95 -10.653 -1.073 -7.906 1.00 25.52 C ATOM 0 H ALA A 95 -12.398 0.677 -7.821 1.00 11.34 H new ATOM 0 HA ALA A 95 -12.018 -1.786 -6.423 1.00 61.02 H new ATOM 0 HB1 ALA A 95 -9.888 -1.815 -7.678 1.00 25.52 H new ATOM 0 HB2 ALA A 95 -11.270 -1.429 -8.731 1.00 25.52 H new ATOM 0 HB3 ALA A 95 -10.175 -0.135 -8.189 1.00 25.52 H new ATOM 1488 N ILE A 96 -10.065 0.754 -5.593 1.00 24.31 N ATOM 1489 CA ILE A 96 -9.219 1.274 -4.525 1.00 51.22 C ATOM 1490 C ILE A 96 -10.009 1.439 -3.230 1.00 4.14 C ATOM 1491 O ILE A 96 -9.485 1.213 -2.140 1.00 14.32 O ATOM 1492 CB ILE A 96 -8.596 2.629 -4.910 1.00 50.35 C ATOM 1493 CG1 ILE A 96 -7.691 2.469 -6.132 1.00 5.22 C ATOM 1494 CG2 ILE A 96 -7.815 3.204 -3.737 1.00 42.31 C ATOM 1495 CD1 ILE A 96 -6.495 1.576 -5.887 1.00 43.35 C ATOM 0 H ILE A 96 -10.145 1.367 -6.404 1.00 24.31 H new ATOM 0 HA ILE A 96 -8.421 0.548 -4.371 1.00 51.22 H new ATOM 0 HB ILE A 96 -9.397 3.323 -5.163 1.00 50.35 H new ATOM 0 HG12 ILE A 96 -8.276 2.061 -6.956 1.00 5.22 H new ATOM 0 HG13 ILE A 96 -7.341 3.452 -6.446 1.00 5.22 H new ATOM 0 HG21 ILE A 96 -7.380 4.162 -4.024 1.00 42.31 H new ATOM 0 HG22 ILE A 96 -8.485 3.349 -2.890 1.00 42.31 H new ATOM 0 HG23 ILE A 96 -7.019 2.514 -3.456 1.00 42.31 H new ATOM 0 HD11 ILE A 96 -5.899 1.509 -6.797 1.00 43.35 H new ATOM 0 HD12 ILE A 96 -5.887 1.994 -5.085 1.00 43.35 H new ATOM 0 HD13 ILE A 96 -6.836 0.581 -5.603 1.00 43.35 H new ATOM 1507 N TYR A 97 -11.270 1.832 -3.359 1.00 43.44 N ATOM 1508 CA TYR A 97 -12.133 2.029 -2.200 1.00 64.42 C ATOM 1509 C TYR A 97 -12.283 0.733 -1.408 1.00 40.10 C ATOM 1510 O TYR A 97 -12.385 0.751 -0.182 1.00 33.22 O ATOM 1511 CB TYR A 97 -13.508 2.531 -2.640 1.00 14.50 C ATOM 1512 CG TYR A 97 -13.643 4.037 -2.601 1.00 0.33 C ATOM 1513 CD1 TYR A 97 -12.617 4.858 -3.055 1.00 12.33 C ATOM 1514 CD2 TYR A 97 -14.794 4.639 -2.108 1.00 4.21 C ATOM 1515 CE1 TYR A 97 -12.735 6.234 -3.020 1.00 64.02 C ATOM 1516 CE2 TYR A 97 -14.921 6.014 -2.072 1.00 52.44 C ATOM 1517 CZ TYR A 97 -13.890 6.807 -2.529 1.00 32.42 C ATOM 1518 OH TYR A 97 -14.012 8.177 -2.492 1.00 30.22 O ATOM 0 H TYR A 97 -11.719 2.021 -4.255 1.00 43.44 H new ATOM 0 HA TYR A 97 -11.670 2.777 -1.557 1.00 64.42 H new ATOM 0 HB2 TYR A 97 -13.705 2.183 -3.654 1.00 14.50 H new ATOM 0 HB3 TYR A 97 -14.270 2.089 -1.997 1.00 14.50 H new ATOM 0 HD1 TYR A 97 -11.712 4.412 -3.442 1.00 12.33 H new ATOM 0 HD2 TYR A 97 -15.603 4.021 -1.747 1.00 4.21 H new ATOM 0 HE1 TYR A 97 -11.928 6.858 -3.375 1.00 64.02 H new ATOM 0 HE2 TYR A 97 -15.824 6.466 -1.688 1.00 52.44 H new ATOM 0 HH TYR A 97 -14.886 8.418 -2.119 1.00 30.22 H new ATOM 1528 N SER A 98 -12.294 -0.390 -2.119 1.00 53.10 N ATOM 1529 CA SER A 98 -12.434 -1.695 -1.484 1.00 32.13 C ATOM 1530 C SER A 98 -11.126 -2.123 -0.826 1.00 62.31 C ATOM 1531 O SER A 98 -11.088 -2.433 0.365 1.00 44.43 O ATOM 1532 CB SER A 98 -12.868 -2.742 -2.511 1.00 2.22 C ATOM 1533 OG SER A 98 -12.796 -4.049 -1.970 1.00 55.02 O ATOM 0 H SER A 98 -12.208 -0.422 -3.135 1.00 53.10 H new ATOM 0 HA SER A 98 -13.199 -1.615 -0.712 1.00 32.13 H new ATOM 0 HB2 SER A 98 -13.888 -2.536 -2.836 1.00 2.22 H new ATOM 0 HB3 SER A 98 -12.232 -2.675 -3.394 1.00 2.22 H new ATOM 0 HG SER A 98 -13.080 -4.699 -2.646 1.00 55.02 H new ATOM 1539 N VAL A 99 -10.053 -2.138 -1.612 1.00 33.21 N ATOM 1540 CA VAL A 99 -8.742 -2.526 -1.107 1.00 20.25 C ATOM 1541 C VAL A 99 -8.301 -1.618 0.036 1.00 74.04 C ATOM 1542 O VAL A 99 -7.957 -2.091 1.119 1.00 52.21 O ATOM 1543 CB VAL A 99 -7.677 -2.484 -2.220 1.00 71.35 C ATOM 1544 CG1 VAL A 99 -6.357 -3.047 -1.717 1.00 41.30 C ATOM 1545 CG2 VAL A 99 -8.159 -3.246 -3.446 1.00 33.13 C ATOM 0 H VAL A 99 -10.067 -1.886 -2.600 1.00 33.21 H new ATOM 0 HA VAL A 99 -8.835 -3.548 -0.740 1.00 20.25 H new ATOM 0 HB VAL A 99 -7.515 -1.445 -2.506 1.00 71.35 H new ATOM 0 HG11 VAL A 99 -5.617 -3.009 -2.517 1.00 41.30 H new ATOM 0 HG12 VAL A 99 -6.008 -2.455 -0.871 1.00 41.30 H new ATOM 0 HG13 VAL A 99 -6.499 -4.081 -1.402 1.00 41.30 H new ATOM 0 HG21 VAL A 99 -7.395 -3.206 -4.223 1.00 33.13 H new ATOM 0 HG22 VAL A 99 -8.350 -4.285 -3.177 1.00 33.13 H new ATOM 0 HG23 VAL A 99 -9.078 -2.793 -3.818 1.00 33.13 H new ATOM 1555 N GLU A 100 -8.316 -0.313 -0.213 1.00 3.53 N ATOM 1556 CA GLU A 100 -7.918 0.662 0.796 1.00 72.11 C ATOM 1557 C GLU A 100 -8.657 0.419 2.108 1.00 72.52 C ATOM 1558 O GLU A 100 -8.131 0.687 3.189 1.00 1.21 O ATOM 1559 CB GLU A 100 -8.190 2.083 0.300 1.00 54.10 C ATOM 1560 CG GLU A 100 -9.643 2.508 0.439 1.00 75.50 C ATOM 1561 CD GLU A 100 -9.914 3.869 -0.173 1.00 63.33 C ATOM 1562 OE1 GLU A 100 -11.045 4.375 -0.016 1.00 64.02 O ATOM 1563 OE2 GLU A 100 -8.995 4.427 -0.810 1.00 52.20 O ATOM 0 H GLU A 100 -8.599 0.094 -1.104 1.00 3.53 H new ATOM 0 HA GLU A 100 -6.849 0.546 0.974 1.00 72.11 H new ATOM 0 HB2 GLU A 100 -7.562 2.779 0.855 1.00 54.10 H new ATOM 0 HB3 GLU A 100 -7.897 2.156 -0.747 1.00 54.10 H new ATOM 0 HG2 GLU A 100 -10.282 1.765 -0.039 1.00 75.50 H new ATOM 0 HG3 GLU A 100 -9.912 2.529 1.495 1.00 75.50 H new