USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 646 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 74 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 88 SER OG : rot 174:sc= 0 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot -128:sc= 1.13 USER MOD Single : A 25 MET CE :methyl -159:sc= -4.94! (180deg=-5.19!) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 99:sc= 1.3 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HE2:sc= 0.77 K(o=0.77,f=-7.1!) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 52 SER OG : rot 60:sc= 1.26 USER MOD Single : A 58 SER OG : rot 180:sc= -0.296 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -2.68! C(o=-2.7!,f=-3.9!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0.824 K(o=0.82,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 15 10.219 -18.048 5.573 1.00 0.00 N ATOM 2 CA MET A 15 9.517 -19.308 5.189 1.00 0.00 C ATOM 3 C MET A 15 8.043 -19.049 4.855 1.00 0.00 C ATOM 4 O MET A 15 7.632 -19.177 3.700 1.00 0.00 O ATOM 5 CB MET A 15 9.642 -20.311 6.344 1.00 0.00 C ATOM 6 CG MET A 15 9.097 -21.693 6.017 1.00 0.00 C ATOM 7 SD MET A 15 9.736 -22.340 4.460 1.00 0.00 S ATOM 8 CE MET A 15 10.324 -23.951 4.979 1.00 0.00 C ATOM 0 HA MET A 15 9.981 -19.716 4.291 1.00 0.00 H new ATOM 0 HB2 MET A 15 10.692 -20.401 6.623 1.00 0.00 H new ATOM 0 HB3 MET A 15 9.114 -19.918 7.213 1.00 0.00 H new ATOM 0 HG2 MET A 15 9.352 -22.380 6.824 1.00 0.00 H new ATOM 0 HG3 MET A 15 8.009 -21.648 5.968 1.00 0.00 H new ATOM 0 HE1 MET A 15 10.749 -24.476 4.124 1.00 0.00 H new ATOM 0 HE2 MET A 15 11.088 -23.829 5.747 1.00 0.00 H new ATOM 0 HE3 MET A 15 9.493 -24.529 5.383 1.00 0.00 H new ATOM 18 N MET A 16 7.258 -18.679 5.871 1.00 0.00 N ATOM 19 CA MET A 16 5.833 -18.398 5.686 1.00 0.00 C ATOM 20 C MET A 16 5.602 -17.446 4.513 1.00 0.00 C ATOM 21 O MET A 16 6.141 -16.337 4.479 1.00 0.00 O ATOM 22 CB MET A 16 5.237 -17.804 6.967 1.00 0.00 C ATOM 23 CG MET A 16 4.805 -18.853 7.980 1.00 0.00 C ATOM 24 SD MET A 16 6.200 -19.588 8.855 1.00 0.00 S ATOM 25 CE MET A 16 5.395 -20.950 9.695 1.00 0.00 C ATOM 0 H MET A 16 7.586 -18.567 6.830 1.00 0.00 H new ATOM 0 HA MET A 16 5.334 -19.341 5.462 1.00 0.00 H new ATOM 0 HB2 MET A 16 5.973 -17.146 7.429 1.00 0.00 H new ATOM 0 HB3 MET A 16 4.377 -17.187 6.706 1.00 0.00 H new ATOM 0 HG2 MET A 16 4.127 -18.398 8.702 1.00 0.00 H new ATOM 0 HG3 MET A 16 4.247 -19.638 7.469 1.00 0.00 H new ATOM 0 HE1 MET A 16 6.130 -21.502 10.280 1.00 0.00 H new ATOM 0 HE2 MET A 16 4.621 -20.562 10.357 1.00 0.00 H new ATOM 0 HE3 MET A 16 4.943 -21.615 8.959 1.00 0.00 H new ATOM 35 N LYS A 17 4.801 -17.896 3.550 1.00 0.00 N ATOM 36 CA LYS A 17 4.495 -17.095 2.368 1.00 0.00 C ATOM 37 C LYS A 17 3.103 -17.427 1.829 1.00 0.00 C ATOM 38 O LYS A 17 2.475 -18.398 2.257 1.00 0.00 O ATOM 39 CB LYS A 17 5.555 -17.329 1.284 1.00 0.00 C ATOM 40 CG LYS A 17 6.144 -16.044 0.722 1.00 0.00 C ATOM 41 CD LYS A 17 7.591 -15.854 1.161 1.00 0.00 C ATOM 42 CE LYS A 17 8.539 -15.768 -0.028 1.00 0.00 C ATOM 43 NZ LYS A 17 8.628 -17.065 -0.764 1.00 0.00 N ATOM 0 H LYS A 17 4.352 -18.812 3.565 1.00 0.00 H new ATOM 0 HA LYS A 17 4.506 -16.043 2.654 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.359 -17.937 1.699 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.110 -17.902 0.470 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.093 -16.065 -0.367 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.548 -15.194 1.053 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.673 -14.945 1.757 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.888 -16.684 1.802 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.199 -14.987 -0.708 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.531 -15.478 0.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.283 -16.965 -1.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.977 -17.805 -0.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.686 -17.329 -1.117 1.00 0.00 H new ATOM 57 N LEU A 18 2.633 -16.612 0.888 1.00 0.00 N ATOM 58 CA LEU A 18 1.318 -16.813 0.285 1.00 0.00 C ATOM 59 C LEU A 18 1.390 -16.587 -1.227 1.00 0.00 C ATOM 60 O LEU A 18 1.460 -17.542 -2.000 1.00 0.00 O ATOM 61 CB LEU A 18 0.292 -15.876 0.943 1.00 0.00 C ATOM 62 CG LEU A 18 0.417 -15.746 2.463 1.00 0.00 C ATOM 63 CD1 LEU A 18 1.015 -14.403 2.840 1.00 0.00 C ATOM 64 CD2 LEU A 18 -0.938 -15.932 3.120 1.00 0.00 C ATOM 0 H LEU A 18 3.143 -15.806 0.526 1.00 0.00 H new ATOM 0 HA LEU A 18 0.996 -17.841 0.454 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.390 -14.885 0.499 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.710 -16.234 0.705 1.00 0.00 H new ATOM 0 HG LEU A 18 1.087 -16.527 2.822 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.095 -14.332 3.925 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.006 -14.309 2.396 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.374 -13.603 2.470 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.834 -15.837 4.201 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.628 -15.172 2.753 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.327 -16.921 2.878 1.00 0.00 H new ATOM 76 N GLY A 19 1.403 -15.319 -1.638 1.00 0.00 N ATOM 77 CA GLY A 19 1.497 -14.983 -3.053 1.00 0.00 C ATOM 78 C GLY A 19 2.837 -14.353 -3.407 1.00 0.00 C ATOM 79 O GLY A 19 3.295 -14.452 -4.547 1.00 0.00 O ATOM 0 H GLY A 19 1.350 -14.514 -1.013 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.352 -15.884 -3.649 1.00 0.00 H new ATOM 0 HA3 GLY A 19 0.693 -14.295 -3.315 1.00 0.00 H new ATOM 83 N LEU A 20 3.467 -13.701 -2.426 1.00 0.00 N ATOM 84 CA LEU A 20 4.760 -13.043 -2.625 1.00 0.00 C ATOM 85 C LEU A 20 5.897 -14.060 -2.801 1.00 0.00 C ATOM 86 O LEU A 20 6.854 -14.089 -2.022 1.00 0.00 O ATOM 87 CB LEU A 20 5.058 -12.110 -1.440 1.00 0.00 C ATOM 88 CG LEU A 20 5.145 -12.798 -0.073 1.00 0.00 C ATOM 89 CD1 LEU A 20 6.329 -12.266 0.715 1.00 0.00 C ATOM 90 CD2 LEU A 20 3.856 -12.606 0.710 1.00 0.00 C ATOM 0 H LEU A 20 3.098 -13.615 -1.479 1.00 0.00 H new ATOM 0 HA LEU A 20 4.701 -12.458 -3.543 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.000 -11.596 -1.631 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.282 -11.346 -1.396 1.00 0.00 H new ATOM 0 HG LEU A 20 5.289 -13.866 -0.237 1.00 0.00 H new ATOM 0 HD11 LEU A 20 6.376 -12.765 1.683 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.249 -12.458 0.163 1.00 0.00 H new ATOM 0 HD13 LEU A 20 6.213 -11.193 0.866 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.940 -13.102 1.677 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.678 -11.542 0.863 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.024 -13.036 0.152 1.00 0.00 H new ATOM 102 N VAL A 21 5.792 -14.886 -3.838 1.00 0.00 N ATOM 103 CA VAL A 21 6.815 -15.894 -4.124 1.00 0.00 C ATOM 104 C VAL A 21 7.275 -15.818 -5.582 1.00 0.00 C ATOM 105 O VAL A 21 8.472 -15.741 -5.856 1.00 0.00 O ATOM 106 CB VAL A 21 6.325 -17.328 -3.797 1.00 0.00 C ATOM 107 CG1 VAL A 21 4.992 -17.630 -4.468 1.00 0.00 C ATOM 108 CG2 VAL A 21 7.372 -18.358 -4.200 1.00 0.00 C ATOM 0 H VAL A 21 5.011 -14.879 -4.495 1.00 0.00 H new ATOM 0 HA VAL A 21 7.663 -15.672 -3.476 1.00 0.00 H new ATOM 0 HB VAL A 21 6.174 -17.387 -2.719 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.679 -18.644 -4.217 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.240 -16.922 -4.120 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.100 -17.541 -5.549 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.009 -19.358 -3.962 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.560 -18.285 -5.271 1.00 0.00 H new ATOM 0 HG23 VAL A 21 8.297 -18.169 -3.655 1.00 0.00 H new ATOM 118 N ARG A 22 6.319 -15.831 -6.511 1.00 0.00 N ATOM 119 CA ARG A 22 6.630 -15.756 -7.936 1.00 0.00 C ATOM 120 C ARG A 22 5.487 -15.102 -8.711 1.00 0.00 C ATOM 121 O ARG A 22 4.468 -15.741 -8.972 1.00 0.00 O ATOM 122 CB ARG A 22 6.909 -17.156 -8.495 1.00 0.00 C ATOM 123 CG ARG A 22 8.308 -17.674 -8.188 1.00 0.00 C ATOM 124 CD ARG A 22 9.381 -16.699 -8.650 1.00 0.00 C ATOM 125 NE ARG A 22 10.599 -17.391 -9.081 1.00 0.00 N ATOM 126 CZ ARG A 22 10.728 -18.034 -10.237 1.00 0.00 C ATOM 127 NH1 ARG A 22 9.722 -18.095 -11.087 1.00 0.00 N ATOM 128 NH2 ARG A 22 11.869 -18.619 -10.536 1.00 0.00 N ATOM 0 H ARG A 22 5.323 -15.893 -6.301 1.00 0.00 H new ATOM 0 HA ARG A 22 7.522 -15.141 -8.055 1.00 0.00 H new ATOM 0 HB2 ARG A 22 6.176 -17.852 -8.087 1.00 0.00 H new ATOM 0 HB3 ARG A 22 6.767 -17.140 -9.576 1.00 0.00 H new ATOM 0 HG2 ARG A 22 8.407 -17.843 -7.116 1.00 0.00 H new ATOM 0 HG3 ARG A 22 8.456 -18.637 -8.677 1.00 0.00 H new ATOM 0 HD2 ARG A 22 8.995 -16.097 -9.473 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.621 -16.012 -7.838 1.00 0.00 H new ATOM 0 HE ARG A 22 11.401 -17.378 -8.452 1.00 0.00 H new ATOM 0 HH11 ARG A 22 8.835 -17.646 -10.860 1.00 0.00 H new ATOM 0 HH12 ARG A 22 9.831 -18.591 -11.972 1.00 0.00 H new ATOM 0 HH21 ARG A 22 12.650 -18.578 -9.881 1.00 0.00 H new ATOM 0 HH22 ARG A 22 11.972 -19.113 -11.422 1.00 0.00 H new ATOM 142 N PHE A 23 5.670 -13.824 -9.070 1.00 0.00 N ATOM 143 CA PHE A 23 4.666 -13.052 -9.821 1.00 0.00 C ATOM 144 C PHE A 23 3.232 -13.480 -9.484 1.00 0.00 C ATOM 145 O PHE A 23 2.510 -14.008 -10.333 1.00 0.00 O ATOM 146 CB PHE A 23 4.916 -13.168 -11.335 1.00 0.00 C ATOM 147 CG PHE A 23 5.558 -14.462 -11.763 1.00 0.00 C ATOM 148 CD1 PHE A 23 4.803 -15.617 -11.888 1.00 0.00 C ATOM 149 CD2 PHE A 23 6.915 -14.520 -12.038 1.00 0.00 C ATOM 150 CE1 PHE A 23 5.390 -16.805 -12.280 1.00 0.00 C ATOM 151 CE2 PHE A 23 7.506 -15.705 -12.431 1.00 0.00 C ATOM 152 CZ PHE A 23 6.742 -16.849 -12.553 1.00 0.00 C ATOM 0 H PHE A 23 6.515 -13.296 -8.850 1.00 0.00 H new ATOM 0 HA PHE A 23 4.773 -12.010 -9.520 1.00 0.00 H new ATOM 0 HB2 PHE A 23 3.966 -13.058 -11.857 1.00 0.00 H new ATOM 0 HB3 PHE A 23 5.551 -12.340 -11.651 1.00 0.00 H new ATOM 0 HD1 PHE A 23 3.744 -15.589 -11.677 1.00 0.00 H new ATOM 0 HD2 PHE A 23 7.517 -13.629 -11.944 1.00 0.00 H new ATOM 0 HE1 PHE A 23 4.791 -17.699 -12.373 1.00 0.00 H new ATOM 0 HE2 PHE A 23 8.565 -15.737 -12.643 1.00 0.00 H new ATOM 0 HZ PHE A 23 7.202 -17.776 -12.861 1.00 0.00 H new ATOM 162 N SER A 24 2.827 -13.248 -8.235 1.00 0.00 N ATOM 163 CA SER A 24 1.485 -13.607 -7.779 1.00 0.00 C ATOM 164 C SER A 24 0.902 -12.521 -6.861 1.00 0.00 C ATOM 165 O SER A 24 1.299 -11.358 -6.952 1.00 0.00 O ATOM 166 CB SER A 24 1.527 -14.961 -7.068 1.00 0.00 C ATOM 167 OG SER A 24 0.313 -15.669 -7.254 1.00 0.00 O ATOM 0 H SER A 24 3.410 -12.812 -7.521 1.00 0.00 H new ATOM 0 HA SER A 24 0.830 -13.685 -8.647 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.359 -15.552 -7.451 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.706 -14.812 -6.003 1.00 0.00 H new ATOM 0 HG SER A 24 -0.035 -15.956 -6.384 1.00 0.00 H new ATOM 173 N MET A 25 -0.037 -12.903 -5.984 1.00 0.00 N ATOM 174 CA MET A 25 -0.673 -11.963 -5.052 1.00 0.00 C ATOM 175 C MET A 25 -1.679 -11.064 -5.784 1.00 0.00 C ATOM 176 O MET A 25 -1.436 -9.873 -5.995 1.00 0.00 O ATOM 177 CB MET A 25 0.385 -11.120 -4.327 1.00 0.00 C ATOM 178 CG MET A 25 0.056 -10.848 -2.868 1.00 0.00 C ATOM 179 SD MET A 25 0.788 -12.059 -1.751 1.00 0.00 S ATOM 180 CE MET A 25 -0.352 -11.981 -0.372 1.00 0.00 C ATOM 0 H MET A 25 -0.374 -13.862 -5.901 1.00 0.00 H new ATOM 0 HA MET A 25 -1.218 -12.541 -4.306 1.00 0.00 H new ATOM 0 HB2 MET A 25 1.346 -11.632 -4.384 1.00 0.00 H new ATOM 0 HB3 MET A 25 0.499 -10.169 -4.848 1.00 0.00 H new ATOM 0 HG2 MET A 25 0.410 -9.852 -2.600 1.00 0.00 H new ATOM 0 HG3 MET A 25 -1.026 -10.848 -2.738 1.00 0.00 H new ATOM 0 HE1 MET A 25 0.135 -12.364 0.525 1.00 0.00 H new ATOM 0 HE2 MET A 25 -0.654 -10.947 -0.207 1.00 0.00 H new ATOM 0 HE3 MET A 25 -1.232 -12.585 -0.593 1.00 0.00 H new ATOM 190 N LEU A 26 -2.810 -11.652 -6.174 1.00 0.00 N ATOM 191 CA LEU A 26 -3.859 -10.920 -6.891 1.00 0.00 C ATOM 192 C LEU A 26 -4.693 -10.046 -5.950 1.00 0.00 C ATOM 193 O LEU A 26 -4.918 -8.866 -6.229 1.00 0.00 O ATOM 194 CB LEU A 26 -4.770 -11.898 -7.643 1.00 0.00 C ATOM 195 CG LEU A 26 -4.691 -11.815 -9.169 1.00 0.00 C ATOM 196 CD1 LEU A 26 -5.340 -13.034 -9.804 1.00 0.00 C ATOM 197 CD2 LEU A 26 -5.356 -10.541 -9.670 1.00 0.00 C ATOM 0 H LEU A 26 -3.025 -12.635 -6.006 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.366 -10.261 -7.605 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.519 -12.913 -7.336 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.801 -11.718 -7.338 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.640 -11.793 -9.456 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.274 -12.957 -10.889 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.824 -13.935 -9.472 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.387 -13.085 -9.507 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.290 -10.499 -10.757 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.404 -10.535 -9.370 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.851 -9.675 -9.242 1.00 0.00 H new ATOM 209 N LEU A 27 -5.151 -10.631 -4.839 1.00 0.00 N ATOM 210 CA LEU A 27 -5.964 -9.904 -3.855 1.00 0.00 C ATOM 211 C LEU A 27 -5.366 -8.532 -3.534 1.00 0.00 C ATOM 212 O LEU A 27 -6.096 -7.550 -3.392 1.00 0.00 O ATOM 213 CB LEU A 27 -6.111 -10.729 -2.570 1.00 0.00 C ATOM 214 CG LEU A 27 -7.546 -10.909 -2.063 1.00 0.00 C ATOM 215 CD1 LEU A 27 -8.230 -9.563 -1.883 1.00 0.00 C ATOM 216 CD2 LEU A 27 -8.342 -11.786 -3.017 1.00 0.00 C ATOM 0 H LEU A 27 -4.973 -11.606 -4.597 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.949 -9.746 -4.293 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.678 -11.715 -2.740 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.523 -10.254 -1.784 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.503 -11.402 -1.092 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.247 -9.717 -1.523 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.675 -8.967 -1.159 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -8.259 -9.039 -2.838 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.358 -11.903 -2.641 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.371 -11.320 -4.002 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.868 -12.765 -3.093 1.00 0.00 H new ATOM 228 N ALA A 28 -4.034 -8.471 -3.429 1.00 0.00 N ATOM 229 CA ALA A 28 -3.336 -7.217 -3.138 1.00 0.00 C ATOM 230 C ALA A 28 -3.872 -6.065 -3.997 1.00 0.00 C ATOM 231 O ALA A 28 -4.107 -4.964 -3.491 1.00 0.00 O ATOM 232 CB ALA A 28 -1.836 -7.386 -3.348 1.00 0.00 C ATOM 0 H ALA A 28 -3.419 -9.277 -3.542 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.520 -6.965 -2.094 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.330 -6.446 -3.128 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.461 -8.164 -2.683 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.643 -7.669 -4.383 1.00 0.00 H new ATOM 238 N LEU A 29 -4.081 -6.330 -5.292 1.00 0.00 N ATOM 239 CA LEU A 29 -4.605 -5.316 -6.213 1.00 0.00 C ATOM 240 C LEU A 29 -5.857 -4.650 -5.641 1.00 0.00 C ATOM 241 O LEU A 29 -6.013 -3.427 -5.722 1.00 0.00 O ATOM 242 CB LEU A 29 -4.916 -5.941 -7.579 1.00 0.00 C ATOM 243 CG LEU A 29 -4.216 -5.277 -8.767 1.00 0.00 C ATOM 244 CD1 LEU A 29 -3.330 -6.277 -9.491 1.00 0.00 C ATOM 245 CD2 LEU A 29 -5.238 -4.683 -9.723 1.00 0.00 C ATOM 0 H LEU A 29 -3.896 -7.235 -5.724 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.839 -4.551 -6.342 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.635 -6.994 -7.553 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.993 -5.903 -7.743 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.588 -4.471 -8.389 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.841 -5.787 -10.333 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.575 -6.658 -8.804 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.938 -7.104 -9.857 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.723 -4.215 -10.562 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.892 -5.473 -10.094 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.834 -3.935 -9.200 1.00 0.00 H new ATOM 257 N ALA A 30 -6.733 -5.457 -5.036 1.00 0.00 N ATOM 258 CA ALA A 30 -7.954 -4.945 -4.422 1.00 0.00 C ATOM 259 C ALA A 30 -7.614 -3.952 -3.310 1.00 0.00 C ATOM 260 O ALA A 30 -8.281 -2.927 -3.158 1.00 0.00 O ATOM 261 CB ALA A 30 -8.799 -6.091 -3.881 1.00 0.00 C ATOM 0 H ALA A 30 -6.616 -6.467 -4.960 1.00 0.00 H new ATOM 0 HA ALA A 30 -8.534 -4.423 -5.183 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -9.706 -5.692 -3.427 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -9.067 -6.762 -4.697 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.229 -6.641 -3.132 1.00 0.00 H new ATOM 267 N LEU A 31 -6.548 -4.245 -2.560 1.00 0.00 N ATOM 268 CA LEU A 31 -6.099 -3.362 -1.487 1.00 0.00 C ATOM 269 C LEU A 31 -5.590 -2.050 -2.076 1.00 0.00 C ATOM 270 O LEU A 31 -5.913 -0.970 -1.581 1.00 0.00 O ATOM 271 CB LEU A 31 -5.000 -4.034 -0.656 1.00 0.00 C ATOM 272 CG LEU A 31 -5.496 -5.050 0.372 1.00 0.00 C ATOM 273 CD1 LEU A 31 -4.385 -6.019 0.737 1.00 0.00 C ATOM 274 CD2 LEU A 31 -6.013 -4.344 1.614 1.00 0.00 C ATOM 0 H LEU A 31 -5.983 -5.086 -2.678 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.943 -3.154 -0.830 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.308 -4.534 -1.334 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.435 -3.261 -0.136 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.317 -5.614 -0.070 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.754 -6.736 1.470 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.057 -6.550 -0.157 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.545 -5.467 1.160 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.362 -5.084 2.334 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.211 -3.755 2.058 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.838 -3.686 1.342 1.00 0.00 H new ATOM 286 N VAL A 32 -4.816 -2.155 -3.158 1.00 0.00 N ATOM 287 CA VAL A 32 -4.288 -0.977 -3.841 1.00 0.00 C ATOM 288 C VAL A 32 -5.439 -0.107 -4.346 1.00 0.00 C ATOM 289 O VAL A 32 -5.514 1.083 -4.032 1.00 0.00 O ATOM 290 CB VAL A 32 -3.376 -1.367 -5.027 1.00 0.00 C ATOM 291 CG1 VAL A 32 -2.882 -0.129 -5.763 1.00 0.00 C ATOM 292 CG2 VAL A 32 -2.201 -2.205 -4.548 1.00 0.00 C ATOM 0 H VAL A 32 -4.542 -3.043 -3.578 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.689 -0.418 -3.122 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.965 -1.964 -5.723 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.243 -0.430 -6.593 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.735 0.431 -6.147 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.314 0.500 -5.077 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.572 -2.469 -5.398 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.616 -1.633 -3.827 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.572 -3.114 -4.075 1.00 0.00 H new ATOM 302 N VAL A 33 -6.349 -0.720 -5.110 1.00 0.00 N ATOM 303 CA VAL A 33 -7.514 -0.009 -5.638 1.00 0.00 C ATOM 304 C VAL A 33 -8.335 0.589 -4.495 1.00 0.00 C ATOM 305 O VAL A 33 -8.662 1.779 -4.512 1.00 0.00 O ATOM 306 CB VAL A 33 -8.412 -0.937 -6.490 1.00 0.00 C ATOM 307 CG1 VAL A 33 -9.705 -0.237 -6.880 1.00 0.00 C ATOM 308 CG2 VAL A 33 -7.670 -1.408 -7.732 1.00 0.00 C ATOM 0 H VAL A 33 -6.300 -1.704 -5.375 1.00 0.00 H new ATOM 0 HA VAL A 33 -7.144 0.791 -6.280 1.00 0.00 H new ATOM 0 HB VAL A 33 -8.665 -1.807 -5.885 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -10.318 -0.911 -7.478 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -10.251 0.047 -5.980 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -9.474 0.656 -7.461 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -8.318 -2.059 -8.318 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.383 -0.545 -8.333 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.776 -1.957 -7.436 1.00 0.00 H new ATOM 318 N LEU A 34 -8.647 -0.239 -3.491 1.00 0.00 N ATOM 319 CA LEU A 34 -9.407 0.217 -2.330 1.00 0.00 C ATOM 320 C LEU A 34 -8.712 1.410 -1.680 1.00 0.00 C ATOM 321 O LEU A 34 -9.337 2.441 -1.436 1.00 0.00 O ATOM 322 CB LEU A 34 -9.573 -0.916 -1.314 1.00 0.00 C ATOM 323 CG LEU A 34 -10.773 -0.777 -0.377 1.00 0.00 C ATOM 324 CD1 LEU A 34 -11.926 -1.642 -0.856 1.00 0.00 C ATOM 325 CD2 LEU A 34 -10.386 -1.150 1.043 1.00 0.00 C ATOM 0 H LEU A 34 -8.384 -1.224 -3.462 1.00 0.00 H new ATOM 0 HA LEU A 34 -10.397 0.526 -2.666 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -9.662 -1.858 -1.855 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -8.667 -0.978 -0.712 1.00 0.00 H new ATOM 0 HG LEU A 34 -11.096 0.264 -0.385 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -12.771 -1.530 -0.177 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -12.222 -1.331 -1.858 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -11.613 -2.686 -0.877 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -11.253 -1.045 1.696 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -10.037 -2.183 1.066 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -9.590 -0.491 1.388 1.00 0.00 H new ATOM 337 N ALA A 35 -7.407 1.269 -1.427 1.00 0.00 N ATOM 338 CA ALA A 35 -6.617 2.343 -0.832 1.00 0.00 C ATOM 339 C ALA A 35 -6.726 3.612 -1.673 1.00 0.00 C ATOM 340 O ALA A 35 -6.962 4.697 -1.142 1.00 0.00 O ATOM 341 CB ALA A 35 -5.163 1.917 -0.688 1.00 0.00 C ATOM 0 H ALA A 35 -6.878 0.420 -1.626 1.00 0.00 H new ATOM 0 HA ALA A 35 -7.011 2.555 0.162 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.588 2.729 -0.243 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.103 1.037 -0.048 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.755 1.679 -1.670 1.00 0.00 H new ATOM 347 N ILE A 36 -6.581 3.461 -2.993 1.00 0.00 N ATOM 348 CA ILE A 36 -6.693 4.594 -3.913 1.00 0.00 C ATOM 349 C ILE A 36 -8.058 5.267 -3.758 1.00 0.00 C ATOM 350 O ILE A 36 -8.142 6.482 -3.560 1.00 0.00 O ATOM 351 CB ILE A 36 -6.498 4.155 -5.386 1.00 0.00 C ATOM 352 CG1 ILE A 36 -5.071 3.649 -5.610 1.00 0.00 C ATOM 353 CG2 ILE A 36 -6.805 5.305 -6.336 1.00 0.00 C ATOM 354 CD1 ILE A 36 -4.935 2.733 -6.807 1.00 0.00 C ATOM 0 H ILE A 36 -6.387 2.568 -3.446 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.903 5.301 -3.660 1.00 0.00 H new ATOM 0 HB ILE A 36 -7.193 3.341 -5.594 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.407 4.504 -5.740 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.738 3.119 -4.718 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.662 4.975 -7.365 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.838 5.625 -6.198 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.136 6.139 -6.126 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.897 2.413 -6.905 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.573 1.859 -6.671 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.237 3.266 -7.709 1.00 0.00 H new ATOM 366 N VAL A 37 -9.123 4.464 -3.825 1.00 0.00 N ATOM 367 CA VAL A 37 -10.487 4.977 -3.671 1.00 0.00 C ATOM 368 C VAL A 37 -10.639 5.698 -2.330 1.00 0.00 C ATOM 369 O VAL A 37 -11.090 6.845 -2.278 1.00 0.00 O ATOM 370 CB VAL A 37 -11.534 3.842 -3.768 1.00 0.00 C ATOM 371 CG1 VAL A 37 -12.929 4.362 -3.460 1.00 0.00 C ATOM 372 CG2 VAL A 37 -11.501 3.200 -5.146 1.00 0.00 C ATOM 0 H VAL A 37 -9.068 3.458 -3.985 1.00 0.00 H new ATOM 0 HA VAL A 37 -10.665 5.680 -4.485 1.00 0.00 H new ATOM 0 HB VAL A 37 -11.280 3.085 -3.026 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -13.647 3.545 -3.535 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -12.950 4.772 -2.450 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -13.192 5.143 -4.174 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -12.244 2.404 -5.195 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -11.724 3.952 -5.903 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -10.511 2.783 -5.330 1.00 0.00 H new ATOM 382 N VAL A 38 -10.236 5.024 -1.249 1.00 0.00 N ATOM 383 CA VAL A 38 -10.304 5.604 0.091 1.00 0.00 C ATOM 384 C VAL A 38 -9.554 6.933 0.132 1.00 0.00 C ATOM 385 O VAL A 38 -10.088 7.940 0.594 1.00 0.00 O ATOM 386 CB VAL A 38 -9.721 4.650 1.159 1.00 0.00 C ATOM 387 CG1 VAL A 38 -9.708 5.314 2.528 1.00 0.00 C ATOM 388 CG2 VAL A 38 -10.509 3.349 1.207 1.00 0.00 C ATOM 0 H VAL A 38 -9.860 4.076 -1.278 1.00 0.00 H new ATOM 0 HA VAL A 38 -11.357 5.769 0.320 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.693 4.420 0.880 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -9.294 4.624 3.263 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -9.095 6.215 2.490 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.726 5.580 2.813 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -10.082 2.693 1.965 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.549 3.562 1.456 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -10.462 2.859 0.234 1.00 0.00 H new ATOM 398 N GLN A 39 -8.319 6.932 -0.377 1.00 0.00 N ATOM 399 CA GLN A 39 -7.499 8.142 -0.422 1.00 0.00 C ATOM 400 C GLN A 39 -8.231 9.254 -1.174 1.00 0.00 C ATOM 401 O GLN A 39 -8.249 10.408 -0.731 1.00 0.00 O ATOM 402 CB GLN A 39 -6.152 7.851 -1.090 1.00 0.00 C ATOM 403 CG GLN A 39 -4.997 7.729 -0.104 1.00 0.00 C ATOM 404 CD GLN A 39 -3.786 7.037 -0.698 1.00 0.00 C ATOM 405 OE1 GLN A 39 -3.293 6.051 -0.153 1.00 0.00 O ATOM 406 NE2 GLN A 39 -3.295 7.548 -1.818 1.00 0.00 N ATOM 0 H GLN A 39 -7.866 6.104 -0.764 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.317 8.473 0.601 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -6.231 6.926 -1.661 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.929 8.646 -1.801 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -4.710 8.724 0.237 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -5.332 7.176 0.773 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -3.733 8.367 -2.240 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -2.480 7.122 -2.258 1.00 0.00 H new ATOM 415 N MET A 40 -8.851 8.897 -2.302 1.00 0.00 N ATOM 416 CA MET A 40 -9.607 9.861 -3.099 1.00 0.00 C ATOM 417 C MET A 40 -10.755 10.439 -2.273 1.00 0.00 C ATOM 418 O MET A 40 -10.904 11.661 -2.168 1.00 0.00 O ATOM 419 CB MET A 40 -10.147 9.197 -4.371 1.00 0.00 C ATOM 420 CG MET A 40 -10.617 10.187 -5.425 1.00 0.00 C ATOM 421 SD MET A 40 -10.763 9.439 -7.059 1.00 0.00 S ATOM 422 CE MET A 40 -10.763 10.898 -8.100 1.00 0.00 C ATOM 0 H MET A 40 -8.843 7.950 -2.681 1.00 0.00 H new ATOM 0 HA MET A 40 -8.941 10.673 -3.390 1.00 0.00 H new ATOM 0 HB2 MET A 40 -9.368 8.566 -4.799 1.00 0.00 H new ATOM 0 HB3 MET A 40 -10.977 8.542 -4.104 1.00 0.00 H new ATOM 0 HG2 MET A 40 -11.583 10.597 -5.129 1.00 0.00 H new ATOM 0 HG3 MET A 40 -9.918 11.022 -5.472 1.00 0.00 H new ATOM 0 HE1 MET A 40 -10.848 10.599 -9.145 1.00 0.00 H new ATOM 0 HE2 MET A 40 -11.607 11.534 -7.835 1.00 0.00 H new ATOM 0 HE3 MET A 40 -9.834 11.449 -7.954 1.00 0.00 H new ATOM 432 N ALA A 41 -11.548 9.553 -1.666 1.00 0.00 N ATOM 433 CA ALA A 41 -12.669 9.974 -0.825 1.00 0.00 C ATOM 434 C ALA A 41 -12.175 10.870 0.313 1.00 0.00 C ATOM 435 O ALA A 41 -12.657 11.993 0.486 1.00 0.00 O ATOM 436 CB ALA A 41 -13.402 8.758 -0.271 1.00 0.00 C ATOM 0 H ALA A 41 -11.434 8.542 -1.741 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.366 10.548 -1.436 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -14.233 9.087 0.353 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -13.783 8.156 -1.096 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -12.714 8.160 0.327 1.00 0.00 H new ATOM 442 N VAL A 42 -11.192 10.374 1.069 1.00 0.00 N ATOM 443 CA VAL A 42 -10.608 11.133 2.177 1.00 0.00 C ATOM 444 C VAL A 42 -10.125 12.498 1.690 1.00 0.00 C ATOM 445 O VAL A 42 -10.414 13.521 2.309 1.00 0.00 O ATOM 446 CB VAL A 42 -9.429 10.372 2.827 1.00 0.00 C ATOM 447 CG1 VAL A 42 -8.800 11.194 3.943 1.00 0.00 C ATOM 448 CG2 VAL A 42 -9.885 9.022 3.359 1.00 0.00 C ATOM 0 H VAL A 42 -10.784 9.449 0.933 1.00 0.00 H new ATOM 0 HA VAL A 42 -11.387 11.267 2.928 1.00 0.00 H new ATOM 0 HB VAL A 42 -8.675 10.204 2.058 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.973 10.637 4.384 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -8.428 12.134 3.537 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -9.548 11.400 4.709 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -9.039 8.505 3.812 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -10.663 9.170 4.108 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -10.280 8.422 2.539 1.00 0.00 H new ATOM 458 N THR A 43 -9.404 12.503 0.566 1.00 0.00 N ATOM 459 CA THR A 43 -8.895 13.745 -0.023 1.00 0.00 C ATOM 460 C THR A 43 -10.049 14.697 -0.332 1.00 0.00 C ATOM 461 O THR A 43 -9.990 15.882 -0.009 1.00 0.00 O ATOM 462 CB THR A 43 -8.103 13.454 -1.302 1.00 0.00 C ATOM 463 OG1 THR A 43 -7.052 12.538 -1.046 1.00 0.00 O ATOM 464 CG2 THR A 43 -7.482 14.687 -1.921 1.00 0.00 C ATOM 0 H THR A 43 -9.159 11.661 0.045 1.00 0.00 H new ATOM 0 HA THR A 43 -8.229 14.216 0.700 1.00 0.00 H new ATOM 0 HB THR A 43 -8.833 13.042 -1.999 1.00 0.00 H new ATOM 0 HG1 THR A 43 -7.333 11.636 -1.307 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.937 14.406 -2.822 1.00 0.00 H new ATOM 0 HG22 THR A 43 -8.266 15.399 -2.178 1.00 0.00 H new ATOM 0 HG23 THR A 43 -6.795 15.145 -1.209 1.00 0.00 H new ATOM 472 N MET A 44 -11.108 14.163 -0.945 1.00 0.00 N ATOM 473 CA MET A 44 -12.286 14.963 -1.278 1.00 0.00 C ATOM 474 C MET A 44 -12.914 15.542 -0.007 1.00 0.00 C ATOM 475 O MET A 44 -13.170 16.746 0.076 1.00 0.00 O ATOM 476 CB MET A 44 -13.310 14.111 -2.036 1.00 0.00 C ATOM 477 CG MET A 44 -14.411 14.924 -2.699 1.00 0.00 C ATOM 478 SD MET A 44 -15.727 13.892 -3.375 1.00 0.00 S ATOM 479 CE MET A 44 -16.995 15.118 -3.684 1.00 0.00 C ATOM 0 H MET A 44 -11.173 13.183 -1.220 1.00 0.00 H new ATOM 0 HA MET A 44 -11.976 15.788 -1.919 1.00 0.00 H new ATOM 0 HB2 MET A 44 -12.792 13.528 -2.798 1.00 0.00 H new ATOM 0 HB3 MET A 44 -13.762 13.401 -1.344 1.00 0.00 H new ATOM 0 HG2 MET A 44 -14.835 15.616 -1.971 1.00 0.00 H new ATOM 0 HG3 MET A 44 -13.981 15.527 -3.499 1.00 0.00 H new ATOM 0 HE1 MET A 44 -17.876 14.633 -4.105 1.00 0.00 H new ATOM 0 HE2 MET A 44 -17.263 15.608 -2.748 1.00 0.00 H new ATOM 0 HE3 MET A 44 -16.619 15.861 -4.388 1.00 0.00 H new ATOM 489 N VAL A 45 -13.146 14.678 0.983 1.00 0.00 N ATOM 490 CA VAL A 45 -13.730 15.102 2.259 1.00 0.00 C ATOM 491 C VAL A 45 -12.852 16.160 2.936 1.00 0.00 C ATOM 492 O VAL A 45 -13.337 17.221 3.335 1.00 0.00 O ATOM 493 CB VAL A 45 -13.921 13.906 3.218 1.00 0.00 C ATOM 494 CG1 VAL A 45 -14.405 14.375 4.580 1.00 0.00 C ATOM 495 CG2 VAL A 45 -14.895 12.895 2.628 1.00 0.00 C ATOM 0 H VAL A 45 -12.939 13.681 0.927 1.00 0.00 H new ATOM 0 HA VAL A 45 -14.707 15.532 2.038 1.00 0.00 H new ATOM 0 HB VAL A 45 -12.954 13.420 3.348 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -14.532 13.515 5.237 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -13.672 15.056 5.012 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -15.359 14.891 4.469 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -15.016 12.060 3.319 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -15.861 13.373 2.464 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -14.507 12.527 1.678 1.00 0.00 H new ATOM 505 N LEU A 46 -11.556 15.865 3.047 1.00 0.00 N ATOM 506 CA LEU A 46 -10.604 16.790 3.660 1.00 0.00 C ATOM 507 C LEU A 46 -10.234 17.905 2.678 1.00 0.00 C ATOM 508 O LEU A 46 -9.113 17.954 2.161 1.00 0.00 O ATOM 509 CB LEU A 46 -9.350 16.030 4.114 1.00 0.00 C ATOM 510 CG LEU A 46 -8.896 16.319 5.546 1.00 0.00 C ATOM 511 CD1 LEU A 46 -8.882 15.042 6.370 1.00 0.00 C ATOM 512 CD2 LEU A 46 -7.521 16.966 5.547 1.00 0.00 C ATOM 0 H LEU A 46 -11.142 14.992 2.720 1.00 0.00 H new ATOM 0 HA LEU A 46 -11.069 17.246 4.534 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -9.538 14.961 4.018 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.532 16.272 3.435 1.00 0.00 H new ATOM 0 HG LEU A 46 -9.605 17.012 5.998 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -8.556 15.268 7.385 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.885 14.615 6.397 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -8.195 14.326 5.920 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.213 17.165 6.574 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.803 16.295 5.076 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -7.559 17.903 4.992 1.00 0.00 H new ATOM 524 N HIS A 47 -11.190 18.794 2.415 1.00 0.00 N ATOM 525 CA HIS A 47 -10.982 19.904 1.482 1.00 0.00 C ATOM 526 C HIS A 47 -9.951 20.914 2.012 1.00 0.00 C ATOM 527 O HIS A 47 -10.283 22.061 2.318 1.00 0.00 O ATOM 528 CB HIS A 47 -12.319 20.599 1.190 1.00 0.00 C ATOM 529 CG HIS A 47 -12.831 20.353 -0.194 1.00 0.00 C ATOM 530 ND1 HIS A 47 -13.179 19.102 -0.663 1.00 0.00 N ATOM 531 CD2 HIS A 47 -13.056 21.209 -1.217 1.00 0.00 C ATOM 532 CE1 HIS A 47 -13.592 19.201 -1.914 1.00 0.00 C ATOM 533 NE2 HIS A 47 -13.528 20.467 -2.273 1.00 0.00 N ATOM 0 H HIS A 47 -12.119 18.768 2.835 1.00 0.00 H new ATOM 0 HA HIS A 47 -10.581 19.492 0.556 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -13.062 20.256 1.910 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -12.202 21.672 1.340 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -13.126 18.236 -0.127 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -12.895 22.277 -1.206 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -13.925 18.384 -2.536 1.00 0.00 H new ATOM 542 N GLY A 48 -8.694 20.474 2.104 1.00 0.00 N ATOM 543 CA GLY A 48 -7.621 21.337 2.582 1.00 0.00 C ATOM 544 C GLY A 48 -6.683 21.760 1.465 1.00 0.00 C ATOM 545 O GLY A 48 -5.824 20.984 1.041 1.00 0.00 O ATOM 0 H GLY A 48 -8.399 19.530 1.854 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -8.051 22.224 3.048 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -7.053 20.815 3.352 1.00 0.00 H new ATOM 549 N GLN A 49 -6.855 22.988 0.981 1.00 0.00 N ATOM 550 CA GLN A 49 -6.026 23.514 -0.105 1.00 0.00 C ATOM 551 C GLN A 49 -4.597 23.801 0.362 1.00 0.00 C ATOM 552 O GLN A 49 -4.363 24.727 1.140 1.00 0.00 O ATOM 553 CB GLN A 49 -6.654 24.788 -0.682 1.00 0.00 C ATOM 554 CG GLN A 49 -7.985 24.551 -1.383 1.00 0.00 C ATOM 555 CD GLN A 49 -8.929 25.731 -1.262 1.00 0.00 C ATOM 556 OE1 GLN A 49 -9.298 26.135 -0.163 1.00 0.00 O ATOM 557 NE2 GLN A 49 -9.327 26.294 -2.393 1.00 0.00 N ATOM 0 H GLN A 49 -7.561 23.639 1.323 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.977 22.751 -0.882 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -6.801 25.507 0.124 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -5.957 25.239 -1.388 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -7.803 24.343 -2.437 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -8.461 23.666 -0.961 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -8.998 25.930 -3.287 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -9.962 27.092 -2.370 1.00 0.00 H new ATOM 566 N VAL A 50 -3.645 23.002 -0.125 1.00 0.00 N ATOM 567 CA VAL A 50 -2.234 23.169 0.230 1.00 0.00 C ATOM 568 C VAL A 50 -1.329 22.902 -0.976 1.00 0.00 C ATOM 569 O VAL A 50 -0.710 23.823 -1.510 1.00 0.00 O ATOM 570 CB VAL A 50 -1.827 22.240 1.399 1.00 0.00 C ATOM 571 CG1 VAL A 50 -0.371 22.466 1.785 1.00 0.00 C ATOM 572 CG2 VAL A 50 -2.733 22.458 2.601 1.00 0.00 C ATOM 0 H VAL A 50 -3.826 22.231 -0.768 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.107 24.203 0.550 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.939 21.208 1.065 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.106 21.803 2.608 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.269 22.255 0.929 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.233 23.502 2.095 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.429 21.795 3.411 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.656 23.494 2.932 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.765 22.242 2.323 1.00 0.00 H new ATOM 582 N GLU A 51 -1.261 21.638 -1.400 1.00 0.00 N ATOM 583 CA GLU A 51 -0.435 21.250 -2.547 1.00 0.00 C ATOM 584 C GLU A 51 -0.930 19.939 -3.163 1.00 0.00 C ATOM 585 O GLU A 51 -1.372 19.910 -4.316 1.00 0.00 O ATOM 586 CB GLU A 51 1.032 21.115 -2.120 1.00 0.00 C ATOM 587 CG GLU A 51 1.990 20.910 -3.287 1.00 0.00 C ATOM 588 CD GLU A 51 3.282 20.231 -2.878 1.00 0.00 C ATOM 589 OE1 GLU A 51 4.063 20.844 -2.120 1.00 0.00 O ATOM 590 OE2 GLU A 51 3.516 19.086 -3.320 1.00 0.00 O ATOM 0 H GLU A 51 -1.767 20.866 -0.967 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.515 22.031 -3.303 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.326 22.010 -1.572 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.126 20.275 -1.432 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.498 20.311 -4.054 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.220 21.876 -3.736 1.00 0.00 H new ATOM 597 N SER A 52 -0.853 18.855 -2.387 1.00 0.00 N ATOM 598 CA SER A 52 -1.295 17.537 -2.851 1.00 0.00 C ATOM 599 C SER A 52 -1.195 16.499 -1.733 1.00 0.00 C ATOM 600 O SER A 52 -0.233 15.734 -1.670 1.00 0.00 O ATOM 601 CB SER A 52 -0.475 17.093 -4.066 1.00 0.00 C ATOM 602 OG SER A 52 -1.074 17.543 -5.271 1.00 0.00 O ATOM 0 H SER A 52 -0.489 18.864 -1.434 1.00 0.00 H new ATOM 0 HA SER A 52 -2.341 17.618 -3.146 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.539 17.487 -3.990 1.00 0.00 H new ATOM 0 HB3 SER A 52 -0.395 16.006 -4.079 1.00 0.00 H new ATOM 0 HG SER A 52 -1.121 18.522 -5.267 1.00 0.00 H new ATOM 608 N ILE A 53 -2.203 16.493 -0.854 1.00 0.00 N ATOM 609 CA ILE A 53 -2.269 15.562 0.283 1.00 0.00 C ATOM 610 C ILE A 53 -0.897 15.359 0.953 1.00 0.00 C ATOM 611 O ILE A 53 -0.460 14.230 1.185 1.00 0.00 O ATOM 612 CB ILE A 53 -2.880 14.201 -0.143 1.00 0.00 C ATOM 613 CG1 ILE A 53 -3.159 13.326 1.082 1.00 0.00 C ATOM 614 CG2 ILE A 53 -1.973 13.469 -1.125 1.00 0.00 C ATOM 615 CD1 ILE A 53 -4.542 12.710 1.084 1.00 0.00 C ATOM 0 H ILE A 53 -2.996 17.132 -0.909 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.925 16.017 1.025 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.825 14.405 -0.647 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -2.416 12.530 1.127 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -3.037 13.927 1.983 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.430 12.519 -1.404 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.834 14.080 -2.017 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.006 13.283 -0.658 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -4.669 12.104 1.981 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.292 13.500 1.071 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.662 12.082 0.201 1.00 0.00 H new ATOM 627 N ASP A 54 -0.231 16.473 1.269 1.00 0.00 N ATOM 628 CA ASP A 54 1.082 16.443 1.918 1.00 0.00 C ATOM 629 C ASP A 54 2.075 15.557 1.149 1.00 0.00 C ATOM 630 O ASP A 54 2.664 14.628 1.705 1.00 0.00 O ATOM 631 CB ASP A 54 0.940 15.969 3.368 1.00 0.00 C ATOM 632 CG ASP A 54 1.854 16.716 4.314 1.00 0.00 C ATOM 633 OD1 ASP A 54 3.075 16.450 4.293 1.00 0.00 O ATOM 634 OD2 ASP A 54 1.350 17.568 5.072 1.00 0.00 O ATOM 0 H ASP A 54 -0.583 17.412 1.084 1.00 0.00 H new ATOM 0 HA ASP A 54 1.484 17.456 1.914 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.094 16.098 3.689 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.160 14.903 3.421 1.00 0.00 H new ATOM 639 N VAL A 55 2.256 15.855 -0.137 1.00 0.00 N ATOM 640 CA VAL A 55 3.176 15.092 -0.979 1.00 0.00 C ATOM 641 C VAL A 55 4.499 15.836 -1.202 1.00 0.00 C ATOM 642 O VAL A 55 5.534 15.204 -1.407 1.00 0.00 O ATOM 643 CB VAL A 55 2.538 14.747 -2.346 1.00 0.00 C ATOM 644 CG1 VAL A 55 2.596 15.933 -3.297 1.00 0.00 C ATOM 645 CG2 VAL A 55 3.220 13.536 -2.963 1.00 0.00 C ATOM 0 H VAL A 55 1.779 16.618 -0.618 1.00 0.00 H new ATOM 0 HA VAL A 55 3.388 14.166 -0.444 1.00 0.00 H new ATOM 0 HB VAL A 55 1.489 14.506 -2.174 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.140 15.659 -4.248 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.054 16.774 -2.864 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.635 16.217 -3.461 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.758 13.308 -3.924 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.278 13.751 -3.111 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.113 12.680 -2.297 1.00 0.00 H new ATOM 655 N ILE A 56 4.450 17.175 -1.167 1.00 0.00 N ATOM 656 CA ILE A 56 5.635 18.020 -1.369 1.00 0.00 C ATOM 657 C ILE A 56 6.518 17.497 -2.514 1.00 0.00 C ATOM 658 O ILE A 56 7.606 16.958 -2.294 1.00 0.00 O ATOM 659 CB ILE A 56 6.454 18.186 -0.058 1.00 0.00 C ATOM 660 CG1 ILE A 56 7.680 19.078 -0.289 1.00 0.00 C ATOM 661 CG2 ILE A 56 6.878 16.839 0.510 1.00 0.00 C ATOM 662 CD1 ILE A 56 7.334 20.483 -0.735 1.00 0.00 C ATOM 0 H ILE A 56 3.592 17.701 -0.999 1.00 0.00 H new ATOM 0 HA ILE A 56 5.275 19.008 -1.657 1.00 0.00 H new ATOM 0 HB ILE A 56 5.805 18.669 0.673 1.00 0.00 H new ATOM 0 HG12 ILE A 56 8.259 19.131 0.633 1.00 0.00 H new ATOM 0 HG13 ILE A 56 8.319 18.615 -1.040 1.00 0.00 H new ATOM 0 HG21 ILE A 56 7.448 16.994 1.426 1.00 0.00 H new ATOM 0 HG22 ILE A 56 5.993 16.242 0.730 1.00 0.00 H new ATOM 0 HG23 ILE A 56 7.497 16.315 -0.219 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.251 21.055 -0.878 1.00 0.00 H new ATOM 0 HD12 ILE A 56 6.782 20.441 -1.674 1.00 0.00 H new ATOM 0 HD13 ILE A 56 6.720 20.965 0.026 1.00 0.00 H new ATOM 674 N ARG A 57 6.018 17.666 -3.745 1.00 0.00 N ATOM 675 CA ARG A 57 6.718 17.227 -4.963 1.00 0.00 C ATOM 676 C ARG A 57 6.490 15.732 -5.232 1.00 0.00 C ATOM 677 O ARG A 57 6.467 14.917 -4.307 1.00 0.00 O ATOM 678 CB ARG A 57 8.222 17.533 -4.881 1.00 0.00 C ATOM 679 CG ARG A 57 8.711 18.502 -5.947 1.00 0.00 C ATOM 680 CD ARG A 57 8.740 19.931 -5.430 1.00 0.00 C ATOM 681 NE ARG A 57 9.501 20.821 -6.316 1.00 0.00 N ATOM 682 CZ ARG A 57 10.824 20.950 -6.301 1.00 0.00 C ATOM 683 NH1 ARG A 57 11.560 20.254 -5.454 1.00 0.00 N ATOM 684 NH2 ARG A 57 11.410 21.780 -7.137 1.00 0.00 N ATOM 0 H ARG A 57 5.118 18.110 -3.926 1.00 0.00 H new ATOM 0 HA ARG A 57 6.299 17.790 -5.797 1.00 0.00 H new ATOM 0 HB2 ARG A 57 8.446 17.946 -3.898 1.00 0.00 H new ATOM 0 HB3 ARG A 57 8.778 16.600 -4.969 1.00 0.00 H new ATOM 0 HG2 ARG A 57 9.710 18.212 -6.273 1.00 0.00 H new ATOM 0 HG3 ARG A 57 8.061 18.443 -6.820 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.720 20.302 -5.333 1.00 0.00 H new ATOM 0 HD3 ARG A 57 9.182 19.947 -4.434 1.00 0.00 H new ATOM 0 HE ARG A 57 8.978 21.379 -6.990 1.00 0.00 H new ATOM 0 HH11 ARG A 57 11.114 19.609 -4.802 1.00 0.00 H new ATOM 0 HH12 ARG A 57 12.574 20.362 -5.452 1.00 0.00 H new ATOM 0 HH21 ARG A 57 10.849 22.322 -7.794 1.00 0.00 H new ATOM 0 HH22 ARG A 57 12.425 21.881 -7.128 1.00 0.00 H new ATOM 698 N SER A 58 6.323 15.383 -6.511 1.00 0.00 N ATOM 699 CA SER A 58 6.091 13.989 -6.918 1.00 0.00 C ATOM 700 C SER A 58 7.224 13.071 -6.457 1.00 0.00 C ATOM 701 O SER A 58 6.985 12.091 -5.751 1.00 0.00 O ATOM 702 CB SER A 58 5.924 13.892 -8.441 1.00 0.00 C ATOM 703 OG SER A 58 7.144 14.168 -9.116 1.00 0.00 O ATOM 0 H SER A 58 6.344 16.046 -7.286 1.00 0.00 H new ATOM 0 HA SER A 58 5.171 13.658 -6.436 1.00 0.00 H new ATOM 0 HB2 SER A 58 5.577 12.894 -8.707 1.00 0.00 H new ATOM 0 HB3 SER A 58 5.158 14.594 -8.770 1.00 0.00 H new ATOM 0 HG SER A 58 7.006 14.097 -10.084 1.00 0.00 H new ATOM 709 N ILE A 59 8.453 13.393 -6.861 1.00 0.00 N ATOM 710 CA ILE A 59 9.629 12.598 -6.490 1.00 0.00 C ATOM 711 C ILE A 59 9.642 12.271 -4.994 1.00 0.00 C ATOM 712 O ILE A 59 10.022 11.167 -4.597 1.00 0.00 O ATOM 713 CB ILE A 59 10.942 13.326 -6.861 1.00 0.00 C ATOM 714 CG1 ILE A 59 11.007 13.579 -8.370 1.00 0.00 C ATOM 715 CG2 ILE A 59 12.151 12.516 -6.410 1.00 0.00 C ATOM 716 CD1 ILE A 59 11.412 14.991 -8.727 1.00 0.00 C ATOM 0 H ILE A 59 8.663 14.201 -7.447 1.00 0.00 H new ATOM 0 HA ILE A 59 9.564 11.667 -7.054 1.00 0.00 H new ATOM 0 HB ILE A 59 10.957 14.286 -6.346 1.00 0.00 H new ATOM 0 HG12 ILE A 59 11.716 12.882 -8.817 1.00 0.00 H new ATOM 0 HG13 ILE A 59 10.032 13.367 -8.808 1.00 0.00 H new ATOM 0 HG21 ILE A 59 13.065 13.045 -6.680 1.00 0.00 H new ATOM 0 HG22 ILE A 59 12.116 12.381 -5.329 1.00 0.00 H new ATOM 0 HG23 ILE A 59 12.138 11.541 -6.898 1.00 0.00 H new ATOM 0 HD11 ILE A 59 11.437 15.099 -9.811 1.00 0.00 H new ATOM 0 HD12 ILE A 59 10.690 15.693 -8.309 1.00 0.00 H new ATOM 0 HD13 ILE A 59 12.401 15.200 -8.318 1.00 0.00 H new ATOM 728 N PHE A 60 9.213 13.232 -4.171 1.00 0.00 N ATOM 729 CA PHE A 60 9.165 13.042 -2.721 1.00 0.00 C ATOM 730 C PHE A 60 8.393 11.776 -2.356 1.00 0.00 C ATOM 731 O PHE A 60 8.780 11.052 -1.435 1.00 0.00 O ATOM 732 CB PHE A 60 8.533 14.257 -2.040 1.00 0.00 C ATOM 733 CG PHE A 60 9.012 14.466 -0.633 1.00 0.00 C ATOM 734 CD1 PHE A 60 10.199 15.135 -0.384 1.00 0.00 C ATOM 735 CD2 PHE A 60 8.278 13.990 0.440 1.00 0.00 C ATOM 736 CE1 PHE A 60 10.645 15.327 0.908 1.00 0.00 C ATOM 737 CE2 PHE A 60 8.718 14.178 1.737 1.00 0.00 C ATOM 738 CZ PHE A 60 9.903 14.848 1.971 1.00 0.00 C ATOM 0 H PHE A 60 8.894 14.149 -4.485 1.00 0.00 H new ATOM 0 HA PHE A 60 10.190 12.932 -2.366 1.00 0.00 H new ATOM 0 HB2 PHE A 60 8.752 15.149 -2.627 1.00 0.00 H new ATOM 0 HB3 PHE A 60 7.450 14.138 -2.034 1.00 0.00 H new ATOM 0 HD1 PHE A 60 10.783 15.511 -1.211 1.00 0.00 H new ATOM 0 HD2 PHE A 60 7.351 13.466 0.262 1.00 0.00 H new ATOM 0 HE1 PHE A 60 11.572 15.851 1.088 1.00 0.00 H new ATOM 0 HE2 PHE A 60 8.136 13.802 2.566 1.00 0.00 H new ATOM 0 HZ PHE A 60 10.249 14.997 2.983 1.00 0.00 H new ATOM 748 N PHE A 61 7.314 11.498 -3.098 1.00 0.00 N ATOM 749 CA PHE A 61 6.503 10.304 -2.864 1.00 0.00 C ATOM 750 C PHE A 61 7.394 9.071 -2.707 1.00 0.00 C ATOM 751 O PHE A 61 7.107 8.196 -1.893 1.00 0.00 O ATOM 752 CB PHE A 61 5.502 10.096 -4.006 1.00 0.00 C ATOM 753 CG PHE A 61 4.202 9.491 -3.557 1.00 0.00 C ATOM 754 CD1 PHE A 61 4.162 8.200 -3.054 1.00 0.00 C ATOM 755 CD2 PHE A 61 3.021 10.210 -3.642 1.00 0.00 C ATOM 756 CE1 PHE A 61 2.970 7.641 -2.639 1.00 0.00 C ATOM 757 CE2 PHE A 61 1.825 9.654 -3.229 1.00 0.00 C ATOM 758 CZ PHE A 61 1.799 8.367 -2.726 1.00 0.00 C ATOM 0 H PHE A 61 6.985 12.085 -3.864 1.00 0.00 H new ATOM 0 HA PHE A 61 5.945 10.449 -1.939 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.302 11.055 -4.483 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.952 9.452 -4.761 1.00 0.00 H new ATOM 0 HD1 PHE A 61 5.074 7.625 -2.986 1.00 0.00 H new ATOM 0 HD2 PHE A 61 3.035 11.216 -4.035 1.00 0.00 H new ATOM 0 HE1 PHE A 61 2.953 6.635 -2.246 1.00 0.00 H new ATOM 0 HE2 PHE A 61 0.911 10.225 -3.299 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.866 7.931 -2.402 1.00 0.00 H new ATOM 768 N GLY A 62 8.492 9.023 -3.474 1.00 0.00 N ATOM 769 CA GLY A 62 9.424 7.907 -3.384 1.00 0.00 C ATOM 770 C GLY A 62 9.788 7.580 -1.947 1.00 0.00 C ATOM 771 O GLY A 62 9.794 6.416 -1.555 1.00 0.00 O ATOM 0 H GLY A 62 8.749 9.738 -4.154 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.983 7.028 -3.854 1.00 0.00 H new ATOM 0 HA3 GLY A 62 10.330 8.146 -3.941 1.00 0.00 H new ATOM 775 N LEU A 63 10.061 8.614 -1.149 1.00 0.00 N ATOM 776 CA LEU A 63 10.395 8.429 0.265 1.00 0.00 C ATOM 777 C LEU A 63 9.252 7.709 0.987 1.00 0.00 C ATOM 778 O LEU A 63 9.482 6.839 1.832 1.00 0.00 O ATOM 779 CB LEU A 63 10.670 9.781 0.933 1.00 0.00 C ATOM 780 CG LEU A 63 12.032 10.402 0.615 1.00 0.00 C ATOM 781 CD1 LEU A 63 11.972 11.190 -0.683 1.00 0.00 C ATOM 782 CD2 LEU A 63 12.484 11.297 1.756 1.00 0.00 C ATOM 0 H LEU A 63 10.058 9.586 -1.457 1.00 0.00 H new ATOM 0 HA LEU A 63 11.296 7.819 0.331 1.00 0.00 H new ATOM 0 HB2 LEU A 63 9.891 10.481 0.633 1.00 0.00 H new ATOM 0 HB3 LEU A 63 10.589 9.657 2.013 1.00 0.00 H new ATOM 0 HG LEU A 63 12.757 9.597 0.495 1.00 0.00 H new ATOM 0 HD11 LEU A 63 12.950 11.623 -0.891 1.00 0.00 H new ATOM 0 HD12 LEU A 63 11.688 10.526 -1.499 1.00 0.00 H new ATOM 0 HD13 LEU A 63 11.234 11.987 -0.591 1.00 0.00 H new ATOM 0 HD21 LEU A 63 13.454 11.731 1.515 1.00 0.00 H new ATOM 0 HD22 LEU A 63 11.756 12.095 1.903 1.00 0.00 H new ATOM 0 HD23 LEU A 63 12.567 10.708 2.669 1.00 0.00 H new ATOM 794 N LEU A 64 8.017 8.060 0.618 1.00 0.00 N ATOM 795 CA LEU A 64 6.826 7.440 1.196 1.00 0.00 C ATOM 796 C LEU A 64 6.824 5.931 0.943 1.00 0.00 C ATOM 797 O LEU A 64 6.220 5.166 1.700 1.00 0.00 O ATOM 798 CB LEU A 64 5.563 8.075 0.605 1.00 0.00 C ATOM 799 CG LEU A 64 4.401 8.246 1.582 1.00 0.00 C ATOM 800 CD1 LEU A 64 4.566 9.523 2.386 1.00 0.00 C ATOM 801 CD2 LEU A 64 3.077 8.257 0.834 1.00 0.00 C ATOM 0 H LEU A 64 7.818 8.774 -0.082 1.00 0.00 H new ATOM 0 HA LEU A 64 6.838 7.608 2.273 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.823 9.053 0.200 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.226 7.463 -0.232 1.00 0.00 H new ATOM 0 HG LEU A 64 4.403 7.402 2.272 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.729 9.629 3.077 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.498 9.481 2.949 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.589 10.378 1.710 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.259 8.380 1.544 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.067 9.083 0.123 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.954 7.316 0.298 1.00 0.00 H new ATOM 813 N ILE A 65 7.514 5.503 -0.122 1.00 0.00 N ATOM 814 CA ILE A 65 7.598 4.086 -0.460 1.00 0.00 C ATOM 815 C ILE A 65 8.220 3.272 0.678 1.00 0.00 C ATOM 816 O ILE A 65 7.961 2.080 0.791 1.00 0.00 O ATOM 817 CB ILE A 65 8.390 3.857 -1.773 1.00 0.00 C ATOM 818 CG1 ILE A 65 7.719 2.768 -2.611 1.00 0.00 C ATOM 819 CG2 ILE A 65 9.844 3.491 -1.494 1.00 0.00 C ATOM 820 CD1 ILE A 65 6.564 3.275 -3.448 1.00 0.00 C ATOM 0 H ILE A 65 8.019 6.119 -0.759 1.00 0.00 H new ATOM 0 HA ILE A 65 6.576 3.739 -0.612 1.00 0.00 H new ATOM 0 HB ILE A 65 8.386 4.792 -2.333 1.00 0.00 H new ATOM 0 HG12 ILE A 65 8.462 2.316 -3.268 1.00 0.00 H new ATOM 0 HG13 ILE A 65 7.359 1.981 -1.948 1.00 0.00 H new ATOM 0 HG21 ILE A 65 10.368 3.338 -2.437 1.00 0.00 H new ATOM 0 HG22 ILE A 65 10.323 4.298 -0.940 1.00 0.00 H new ATOM 0 HG23 ILE A 65 9.882 2.575 -0.905 1.00 0.00 H new ATOM 0 HD11 ILE A 65 6.136 2.449 -4.016 1.00 0.00 H new ATOM 0 HD12 ILE A 65 5.801 3.701 -2.796 1.00 0.00 H new ATOM 0 HD13 ILE A 65 6.922 4.041 -4.136 1.00 0.00 H new ATOM 832 N THR A 66 9.028 3.917 1.530 1.00 0.00 N ATOM 833 CA THR A 66 9.650 3.216 2.656 1.00 0.00 C ATOM 834 C THR A 66 8.576 2.684 3.610 1.00 0.00 C ATOM 835 O THR A 66 8.401 1.468 3.732 1.00 0.00 O ATOM 836 CB THR A 66 10.640 4.131 3.395 1.00 0.00 C ATOM 837 OG1 THR A 66 11.853 4.235 2.673 1.00 0.00 O ATOM 838 CG2 THR A 66 10.989 3.655 4.791 1.00 0.00 C ATOM 0 H THR A 66 9.262 4.907 1.462 1.00 0.00 H new ATOM 0 HA THR A 66 10.212 2.368 2.265 1.00 0.00 H new ATOM 0 HB THR A 66 10.131 5.091 3.475 1.00 0.00 H new ATOM 0 HG1 THR A 66 12.472 4.822 3.156 1.00 0.00 H new ATOM 0 HG21 THR A 66 11.692 4.352 5.248 1.00 0.00 H new ATOM 0 HG22 THR A 66 10.083 3.604 5.395 1.00 0.00 H new ATOM 0 HG23 THR A 66 11.444 2.666 4.735 1.00 0.00 H new ATOM 846 N PRO A 67 7.813 3.576 4.285 1.00 0.00 N ATOM 847 CA PRO A 67 6.742 3.154 5.197 1.00 0.00 C ATOM 848 C PRO A 67 5.661 2.362 4.460 1.00 0.00 C ATOM 849 O PRO A 67 5.168 1.349 4.965 1.00 0.00 O ATOM 850 CB PRO A 67 6.179 4.474 5.742 1.00 0.00 C ATOM 851 CG PRO A 67 6.594 5.510 4.754 1.00 0.00 C ATOM 852 CD PRO A 67 7.909 5.046 4.196 1.00 0.00 C ATOM 0 HA PRO A 67 7.104 2.492 5.984 1.00 0.00 H new ATOM 0 HB2 PRO A 67 5.094 4.431 5.836 1.00 0.00 H new ATOM 0 HB3 PRO A 67 6.576 4.693 6.733 1.00 0.00 H new ATOM 0 HG2 PRO A 67 5.850 5.616 3.964 1.00 0.00 H new ATOM 0 HG3 PRO A 67 6.694 6.485 5.230 1.00 0.00 H new ATOM 0 HD2 PRO A 67 8.050 5.379 3.168 1.00 0.00 H new ATOM 0 HD3 PRO A 67 8.750 5.430 4.774 1.00 0.00 H new ATOM 860 N TRP A 68 5.317 2.822 3.252 1.00 0.00 N ATOM 861 CA TRP A 68 4.313 2.152 2.427 1.00 0.00 C ATOM 862 C TRP A 68 4.736 0.713 2.142 1.00 0.00 C ATOM 863 O TRP A 68 3.967 -0.218 2.363 1.00 0.00 O ATOM 864 CB TRP A 68 4.102 2.914 1.113 1.00 0.00 C ATOM 865 CG TRP A 68 2.689 2.863 0.618 1.00 0.00 C ATOM 866 CD1 TRP A 68 2.227 2.201 -0.485 1.00 0.00 C ATOM 867 CD2 TRP A 68 1.551 3.502 1.207 1.00 0.00 C ATOM 868 NE1 TRP A 68 0.872 2.390 -0.615 1.00 0.00 N ATOM 869 CE2 TRP A 68 0.434 3.185 0.411 1.00 0.00 C ATOM 870 CE3 TRP A 68 1.367 4.311 2.332 1.00 0.00 C ATOM 871 CZ2 TRP A 68 -0.845 3.648 0.704 1.00 0.00 C ATOM 872 CZ3 TRP A 68 0.095 4.770 2.622 1.00 0.00 C ATOM 873 CH2 TRP A 68 -0.996 4.437 1.810 1.00 0.00 C ATOM 0 H TRP A 68 5.721 3.656 2.826 1.00 0.00 H new ATOM 0 HA TRP A 68 3.370 2.138 2.974 1.00 0.00 H new ATOM 0 HB2 TRP A 68 4.393 3.955 1.254 1.00 0.00 H new ATOM 0 HB3 TRP A 68 4.762 2.499 0.351 1.00 0.00 H new ATOM 0 HD1 TRP A 68 2.837 1.615 -1.156 1.00 0.00 H new ATOM 0 HE1 TRP A 68 0.287 2.001 -1.355 1.00 0.00 H new ATOM 0 HE3 TRP A 68 2.203 4.573 2.963 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -1.689 3.393 0.080 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -0.059 5.395 3.489 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -1.977 4.811 2.063 1.00 0.00 H new ATOM 884 N ALA A 69 5.972 0.535 1.670 1.00 0.00 N ATOM 885 CA ALA A 69 6.500 -0.794 1.380 1.00 0.00 C ATOM 886 C ALA A 69 6.494 -1.661 2.635 1.00 0.00 C ATOM 887 O ALA A 69 6.108 -2.826 2.581 1.00 0.00 O ATOM 888 CB ALA A 69 7.906 -0.701 0.801 1.00 0.00 C ATOM 0 H ALA A 69 6.624 1.297 1.481 1.00 0.00 H new ATOM 0 HA ALA A 69 5.854 -1.262 0.637 1.00 0.00 H new ATOM 0 HB1 ALA A 69 8.281 -1.703 0.592 1.00 0.00 H new ATOM 0 HB2 ALA A 69 7.882 -0.123 -0.123 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.563 -0.210 1.519 1.00 0.00 H new ATOM 894 N VAL A 70 6.911 -1.085 3.763 1.00 0.00 N ATOM 895 CA VAL A 70 6.935 -1.813 5.032 1.00 0.00 C ATOM 896 C VAL A 70 5.526 -2.262 5.428 1.00 0.00 C ATOM 897 O VAL A 70 5.266 -3.460 5.578 1.00 0.00 O ATOM 898 CB VAL A 70 7.541 -0.953 6.168 1.00 0.00 C ATOM 899 CG1 VAL A 70 7.376 -1.639 7.517 1.00 0.00 C ATOM 900 CG2 VAL A 70 9.010 -0.667 5.897 1.00 0.00 C ATOM 0 H VAL A 70 7.236 -0.120 3.824 1.00 0.00 H new ATOM 0 HA VAL A 70 7.565 -2.691 4.888 1.00 0.00 H new ATOM 0 HB VAL A 70 7.002 -0.006 6.198 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.810 -1.015 8.298 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.316 -1.791 7.721 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.884 -2.603 7.499 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.418 -0.061 6.706 1.00 0.00 H new ATOM 0 HG22 VAL A 70 9.558 -1.607 5.835 1.00 0.00 H new ATOM 0 HG23 VAL A 70 9.108 -0.127 4.955 1.00 0.00 H new ATOM 910 N TYR A 71 4.615 -1.297 5.577 1.00 0.00 N ATOM 911 CA TYR A 71 3.228 -1.597 5.939 1.00 0.00 C ATOM 912 C TYR A 71 2.600 -2.555 4.927 1.00 0.00 C ATOM 913 O TYR A 71 1.966 -3.544 5.301 1.00 0.00 O ATOM 914 CB TYR A 71 2.407 -0.301 6.015 1.00 0.00 C ATOM 915 CG TYR A 71 2.495 0.400 7.352 1.00 0.00 C ATOM 916 CD1 TYR A 71 3.636 1.104 7.717 1.00 0.00 C ATOM 917 CD2 TYR A 71 1.434 0.360 8.249 1.00 0.00 C ATOM 918 CE1 TYR A 71 3.716 1.749 8.938 1.00 0.00 C ATOM 919 CE2 TYR A 71 1.510 1.003 9.471 1.00 0.00 C ATOM 920 CZ TYR A 71 2.652 1.694 9.809 1.00 0.00 C ATOM 921 OH TYR A 71 2.730 2.336 11.023 1.00 0.00 O ATOM 0 H TYR A 71 4.812 -0.304 5.453 1.00 0.00 H new ATOM 0 HA TYR A 71 3.226 -2.077 6.918 1.00 0.00 H new ATOM 0 HB2 TYR A 71 2.748 0.380 5.235 1.00 0.00 H new ATOM 0 HB3 TYR A 71 1.363 -0.531 5.804 1.00 0.00 H new ATOM 0 HD1 TYR A 71 4.474 1.148 7.037 1.00 0.00 H new ATOM 0 HD2 TYR A 71 0.537 -0.181 7.988 1.00 0.00 H new ATOM 0 HE1 TYR A 71 4.609 2.293 9.207 1.00 0.00 H new ATOM 0 HE2 TYR A 71 0.677 0.963 10.157 1.00 0.00 H new ATOM 0 HH TYR A 71 1.896 2.201 11.519 1.00 0.00 H new ATOM 931 N PHE A 72 2.797 -2.260 3.641 1.00 0.00 N ATOM 932 CA PHE A 72 2.268 -3.095 2.567 1.00 0.00 C ATOM 933 C PHE A 72 2.812 -4.516 2.667 1.00 0.00 C ATOM 934 O PHE A 72 2.042 -5.470 2.707 1.00 0.00 O ATOM 935 CB PHE A 72 2.603 -2.489 1.199 1.00 0.00 C ATOM 936 CG PHE A 72 1.648 -2.890 0.109 1.00 0.00 C ATOM 937 CD1 PHE A 72 0.278 -2.841 0.314 1.00 0.00 C ATOM 938 CD2 PHE A 72 2.121 -3.318 -1.120 1.00 0.00 C ATOM 939 CE1 PHE A 72 -0.601 -3.210 -0.686 1.00 0.00 C ATOM 940 CE2 PHE A 72 1.248 -3.689 -2.124 1.00 0.00 C ATOM 941 CZ PHE A 72 -0.115 -3.635 -1.906 1.00 0.00 C ATOM 0 H PHE A 72 3.321 -1.446 3.320 1.00 0.00 H new ATOM 0 HA PHE A 72 1.184 -3.136 2.672 1.00 0.00 H new ATOM 0 HB2 PHE A 72 2.607 -1.402 1.284 1.00 0.00 H new ATOM 0 HB3 PHE A 72 3.611 -2.790 0.915 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -0.107 -2.510 1.267 1.00 0.00 H new ATOM 0 HD2 PHE A 72 3.186 -3.362 -1.296 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -1.666 -3.166 -0.513 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.630 -4.021 -3.078 1.00 0.00 H new ATOM 0 HZ PHE A 72 -0.800 -3.925 -2.689 1.00 0.00 H new ATOM 951 N LEU A 73 4.143 -4.654 2.729 1.00 0.00 N ATOM 952 CA LEU A 73 4.772 -5.971 2.850 1.00 0.00 C ATOM 953 C LEU A 73 4.120 -6.756 3.983 1.00 0.00 C ATOM 954 O LEU A 73 3.731 -7.910 3.801 1.00 0.00 O ATOM 955 CB LEU A 73 6.283 -5.836 3.092 1.00 0.00 C ATOM 956 CG LEU A 73 7.166 -6.224 1.904 1.00 0.00 C ATOM 957 CD1 LEU A 73 7.054 -5.191 0.796 1.00 0.00 C ATOM 958 CD2 LEU A 73 8.614 -6.376 2.342 1.00 0.00 C ATOM 0 H LEU A 73 4.799 -3.874 2.697 1.00 0.00 H new ATOM 0 HA LEU A 73 4.627 -6.511 1.914 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.501 -4.804 3.365 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.556 -6.456 3.946 1.00 0.00 H new ATOM 0 HG LEU A 73 6.819 -7.183 1.519 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.689 -5.484 -0.040 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.019 -5.128 0.461 1.00 0.00 H new ATOM 0 HD13 LEU A 73 7.374 -4.219 1.171 1.00 0.00 H new ATOM 0 HD21 LEU A 73 9.227 -6.652 1.484 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.971 -5.432 2.754 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.684 -7.153 3.103 1.00 0.00 H new ATOM 970 N SER A 74 3.972 -6.104 5.142 1.00 0.00 N ATOM 971 CA SER A 74 3.327 -6.729 6.298 1.00 0.00 C ATOM 972 C SER A 74 1.938 -7.233 5.908 1.00 0.00 C ATOM 973 O SER A 74 1.606 -8.401 6.121 1.00 0.00 O ATOM 974 CB SER A 74 3.222 -5.738 7.462 1.00 0.00 C ATOM 975 OG SER A 74 3.487 -6.377 8.704 1.00 0.00 O ATOM 0 H SER A 74 4.289 -5.148 5.302 1.00 0.00 H new ATOM 0 HA SER A 74 3.936 -7.573 6.622 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.927 -4.921 7.312 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.225 -5.299 7.481 1.00 0.00 H new ATOM 0 HG SER A 74 3.415 -5.723 9.430 1.00 0.00 H new ATOM 981 N VAL A 75 1.141 -6.349 5.297 1.00 0.00 N ATOM 982 CA VAL A 75 -0.202 -6.709 4.838 1.00 0.00 C ATOM 983 C VAL A 75 -0.129 -7.911 3.895 1.00 0.00 C ATOM 984 O VAL A 75 -0.843 -8.897 4.077 1.00 0.00 O ATOM 985 CB VAL A 75 -0.891 -5.530 4.113 1.00 0.00 C ATOM 986 CG1 VAL A 75 -2.189 -5.976 3.453 1.00 0.00 C ATOM 987 CG2 VAL A 75 -1.157 -4.386 5.080 1.00 0.00 C ATOM 0 H VAL A 75 1.404 -5.381 5.110 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.794 -6.963 5.718 1.00 0.00 H new ATOM 0 HB VAL A 75 -0.216 -5.178 3.333 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.652 -5.127 2.951 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.976 -6.757 2.723 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -2.869 -6.363 4.212 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -1.642 -3.567 4.550 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -1.806 -4.733 5.884 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -0.213 -4.038 5.500 1.00 0.00 H new ATOM 997 N VAL A 76 0.760 -7.829 2.903 1.00 0.00 N ATOM 998 CA VAL A 76 0.959 -8.916 1.943 1.00 0.00 C ATOM 999 C VAL A 76 1.327 -10.211 2.672 1.00 0.00 C ATOM 1000 O VAL A 76 0.853 -11.290 2.316 1.00 0.00 O ATOM 1001 CB VAL A 76 2.060 -8.563 0.911 1.00 0.00 C ATOM 1002 CG1 VAL A 76 2.198 -9.660 -0.132 1.00 0.00 C ATOM 1003 CG2 VAL A 76 1.762 -7.232 0.238 1.00 0.00 C ATOM 0 H VAL A 76 1.356 -7.017 2.743 1.00 0.00 H new ATOM 0 HA VAL A 76 0.021 -9.059 1.407 1.00 0.00 H new ATOM 0 HB VAL A 76 3.005 -8.477 1.447 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.977 -9.389 -0.845 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.465 -10.596 0.358 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.251 -9.783 -0.658 1.00 0.00 H new ATOM 0 HG21 VAL A 76 2.548 -7.004 -0.482 1.00 0.00 H new ATOM 0 HG22 VAL A 76 0.803 -7.291 -0.277 1.00 0.00 H new ATOM 0 HG23 VAL A 76 1.721 -6.445 0.991 1.00 0.00 H new ATOM 1013 N VAL A 77 2.160 -10.087 3.711 1.00 0.00 N ATOM 1014 CA VAL A 77 2.577 -11.239 4.518 1.00 0.00 C ATOM 1015 C VAL A 77 1.372 -11.860 5.233 1.00 0.00 C ATOM 1016 O VAL A 77 1.288 -13.082 5.380 1.00 0.00 O ATOM 1017 CB VAL A 77 3.651 -10.836 5.558 1.00 0.00 C ATOM 1018 CG1 VAL A 77 3.829 -11.922 6.610 1.00 0.00 C ATOM 1019 CG2 VAL A 77 4.976 -10.543 4.872 1.00 0.00 C ATOM 0 H VAL A 77 2.559 -9.198 4.013 1.00 0.00 H new ATOM 0 HA VAL A 77 3.010 -11.976 3.841 1.00 0.00 H new ATOM 0 HB VAL A 77 3.309 -9.930 6.059 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.589 -11.613 7.327 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.884 -12.084 7.129 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.141 -12.848 6.128 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.718 -10.262 5.619 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.315 -11.432 4.341 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.846 -9.725 4.164 1.00 0.00 H new ATOM 1029 N GLU A 78 0.438 -11.014 5.673 1.00 0.00 N ATOM 1030 CA GLU A 78 -0.765 -11.492 6.353 1.00 0.00 C ATOM 1031 C GLU A 78 -1.830 -11.926 5.336 1.00 0.00 C ATOM 1032 O GLU A 78 -2.556 -12.896 5.567 1.00 0.00 O ATOM 1033 CB GLU A 78 -1.327 -10.408 7.279 1.00 0.00 C ATOM 1034 CG GLU A 78 -1.850 -10.952 8.606 1.00 0.00 C ATOM 1035 CD GLU A 78 -3.225 -10.422 8.969 1.00 0.00 C ATOM 1036 OE1 GLU A 78 -3.413 -9.186 8.938 1.00 0.00 O ATOM 1037 OE2 GLU A 78 -4.111 -11.244 9.293 1.00 0.00 O ATOM 0 H GLU A 78 0.492 -10.001 5.571 1.00 0.00 H new ATOM 0 HA GLU A 78 -0.491 -12.358 6.956 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -0.548 -9.672 7.479 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.135 -9.886 6.766 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -1.889 -12.040 8.555 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -1.148 -10.695 9.399 1.00 0.00 H new ATOM 1044 N GLN A 79 -1.908 -11.197 4.216 1.00 0.00 N ATOM 1045 CA GLN A 79 -2.873 -11.481 3.145 1.00 0.00 C ATOM 1046 C GLN A 79 -2.929 -12.974 2.799 1.00 0.00 C ATOM 1047 O GLN A 79 -2.028 -13.507 2.149 1.00 0.00 O ATOM 1048 CB GLN A 79 -2.511 -10.670 1.895 1.00 0.00 C ATOM 1049 CG GLN A 79 -2.976 -9.223 1.953 1.00 0.00 C ATOM 1050 CD GLN A 79 -4.431 -9.055 1.564 1.00 0.00 C ATOM 1051 OE1 GLN A 79 -5.258 -8.657 2.379 1.00 0.00 O ATOM 1052 NE2 GLN A 79 -4.752 -9.363 0.317 1.00 0.00 N ATOM 0 H GLN A 79 -1.306 -10.396 4.026 1.00 0.00 H new ATOM 0 HA GLN A 79 -3.860 -11.191 3.505 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -1.430 -10.690 1.759 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -2.951 -11.150 1.021 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -2.828 -8.839 2.963 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -2.356 -8.620 1.289 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -4.033 -9.690 -0.329 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -5.718 -9.273 0.002 1.00 0.00 H new ATOM 1061 N LEU A 80 -3.999 -13.641 3.238 1.00 0.00 N ATOM 1062 CA LEU A 80 -4.189 -15.073 2.983 1.00 0.00 C ATOM 1063 C LEU A 80 -4.483 -15.351 1.501 1.00 0.00 C ATOM 1064 O LEU A 80 -5.565 -15.825 1.150 1.00 0.00 O ATOM 1065 CB LEU A 80 -5.328 -15.613 3.861 1.00 0.00 C ATOM 1066 CG LEU A 80 -4.999 -15.747 5.352 1.00 0.00 C ATOM 1067 CD1 LEU A 80 -5.988 -14.960 6.194 1.00 0.00 C ATOM 1068 CD2 LEU A 80 -4.997 -17.209 5.768 1.00 0.00 C ATOM 0 H LEU A 80 -4.752 -13.210 3.775 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.261 -15.586 3.236 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.190 -14.955 3.754 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.624 -16.591 3.482 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.003 -15.337 5.519 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.736 -15.069 7.249 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.944 -13.907 5.918 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.995 -15.339 6.021 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.762 -17.285 6.830 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.980 -17.641 5.583 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.248 -17.751 5.191 1.00 0.00 H new ATOM 1080 N GLU A 81 -3.509 -15.052 0.637 1.00 0.00 N ATOM 1081 CA GLU A 81 -3.664 -15.265 -0.804 1.00 0.00 C ATOM 1082 C GLU A 81 -2.946 -16.536 -1.267 1.00 0.00 C ATOM 1083 O GLU A 81 -1.860 -16.859 -0.785 1.00 0.00 O ATOM 1084 CB GLU A 81 -3.128 -14.055 -1.572 1.00 0.00 C ATOM 1085 CG GLU A 81 -3.808 -12.744 -1.198 1.00 0.00 C ATOM 1086 CD GLU A 81 -3.276 -11.558 -1.976 1.00 0.00 C ATOM 1087 OE1 GLU A 81 -3.160 -11.663 -3.213 1.00 0.00 O ATOM 1088 OE2 GLU A 81 -2.987 -10.517 -1.351 1.00 0.00 O ATOM 0 H GLU A 81 -2.607 -14.663 0.910 1.00 0.00 H new ATOM 0 HA GLU A 81 -4.727 -15.387 -1.010 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.057 -13.964 -1.389 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.255 -14.228 -2.641 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -4.880 -12.835 -1.373 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -3.673 -12.562 -0.132 1.00 0.00 H new ATOM 1095 N GLU A 82 -3.565 -17.247 -2.214 1.00 0.00 N ATOM 1096 CA GLU A 82 -3.006 -18.485 -2.774 1.00 0.00 C ATOM 1097 C GLU A 82 -2.869 -19.582 -1.711 1.00 0.00 C ATOM 1098 O GLU A 82 -3.575 -20.591 -1.763 1.00 0.00 O ATOM 1099 CB GLU A 82 -1.652 -18.209 -3.443 1.00 0.00 C ATOM 1100 CG GLU A 82 -1.778 -17.580 -4.825 1.00 0.00 C ATOM 1101 CD GLU A 82 -1.846 -16.066 -4.780 1.00 0.00 C ATOM 1102 OE1 GLU A 82 -2.934 -15.526 -4.503 1.00 0.00 O ATOM 1103 OE2 GLU A 82 -0.806 -15.421 -5.030 1.00 0.00 O ATOM 0 H GLU A 82 -4.465 -16.983 -2.614 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.704 -18.848 -3.528 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -1.067 -17.549 -2.803 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -1.099 -19.144 -3.527 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -0.927 -17.882 -5.435 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -2.673 -17.965 -5.313 1.00 0.00 H new ATOM 1110 N SER A 83 -1.971 -19.381 -0.746 1.00 0.00 N ATOM 1111 CA SER A 83 -1.764 -20.360 0.321 1.00 0.00 C ATOM 1112 C SER A 83 -1.980 -19.730 1.694 1.00 0.00 C ATOM 1113 O SER A 83 -1.256 -18.815 2.089 1.00 0.00 O ATOM 1114 CB SER A 83 -0.362 -20.962 0.242 1.00 0.00 C ATOM 1115 OG SER A 83 -0.270 -22.129 1.048 1.00 0.00 O ATOM 0 H SER A 83 -1.378 -18.553 -0.681 1.00 0.00 H new ATOM 0 HA SER A 83 -2.497 -21.155 0.184 1.00 0.00 H new ATOM 0 HB2 SER A 83 -0.125 -21.209 -0.793 1.00 0.00 H new ATOM 0 HB3 SER A 83 0.373 -20.228 0.571 1.00 0.00 H new ATOM 0 HG SER A 83 0.634 -22.501 0.983 1.00 0.00 H new ATOM 1121 N ARG A 84 -2.987 -20.224 2.415 1.00 0.00 N ATOM 1122 CA ARG A 84 -3.315 -19.714 3.747 1.00 0.00 C ATOM 1123 C ARG A 84 -2.079 -19.650 4.656 1.00 0.00 C ATOM 1124 O ARG A 84 -1.409 -20.659 4.892 1.00 0.00 O ATOM 1125 CB ARG A 84 -4.425 -20.569 4.390 1.00 0.00 C ATOM 1126 CG ARG A 84 -3.949 -21.884 5.002 1.00 0.00 C ATOM 1127 CD ARG A 84 -3.466 -22.869 3.945 1.00 0.00 C ATOM 1128 NE ARG A 84 -3.794 -24.256 4.296 1.00 0.00 N ATOM 1129 CZ ARG A 84 -3.463 -25.315 3.564 1.00 0.00 C ATOM 1130 NH1 ARG A 84 -2.767 -25.174 2.452 1.00 0.00 N ATOM 1131 NH2 ARG A 84 -3.822 -26.522 3.958 1.00 0.00 N ATOM 0 H ARG A 84 -3.593 -20.981 2.097 1.00 0.00 H new ATOM 0 HA ARG A 84 -3.681 -18.694 3.630 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -4.914 -19.980 5.166 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -5.179 -20.789 3.634 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -3.141 -21.684 5.706 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -4.763 -22.334 5.571 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -3.918 -22.621 2.985 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -2.387 -22.771 3.824 1.00 0.00 H new ATOM 0 HE ARG A 84 -4.311 -24.418 5.160 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -2.477 -24.245 2.146 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -2.519 -25.994 1.898 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -4.352 -26.640 4.822 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -3.570 -27.337 3.399 1.00 0.00 H new ATOM 1145 N GLN A 85 -1.782 -18.448 5.157 1.00 0.00 N ATOM 1146 CA GLN A 85 -0.630 -18.239 6.035 1.00 0.00 C ATOM 1147 C GLN A 85 -0.989 -17.322 7.213 1.00 0.00 C ATOM 1148 O GLN A 85 -1.136 -17.793 8.337 1.00 0.00 O ATOM 1149 CB GLN A 85 0.551 -17.664 5.237 1.00 0.00 C ATOM 1150 CG GLN A 85 1.907 -18.206 5.668 1.00 0.00 C ATOM 1151 CD GLN A 85 2.049 -19.698 5.430 1.00 0.00 C ATOM 1152 OE1 GLN A 85 2.193 -20.474 6.369 1.00 0.00 O ATOM 1153 NE2 GLN A 85 2.024 -20.108 4.171 1.00 0.00 N ATOM 0 H GLN A 85 -2.324 -17.605 4.969 1.00 0.00 H new ATOM 0 HA GLN A 85 -0.336 -19.205 6.445 1.00 0.00 H new ATOM 0 HB2 GLN A 85 0.403 -17.882 4.179 1.00 0.00 H new ATOM 0 HB3 GLN A 85 0.554 -16.579 5.342 1.00 0.00 H new ATOM 0 HG2 GLN A 85 2.692 -17.680 5.125 1.00 0.00 H new ATOM 0 HG3 GLN A 85 2.057 -17.996 6.727 1.00 0.00 H new ATOM 0 HE21 GLN A 85 1.902 -19.432 3.417 1.00 0.00 H new ATOM 0 HE22 GLN A 85 2.126 -21.100 3.955 1.00 0.00 H new ATOM 1162 N ARG A 86 -1.133 -16.014 6.944 1.00 0.00 N ATOM 1163 CA ARG A 86 -1.479 -15.032 7.984 1.00 0.00 C ATOM 1164 C ARG A 86 -0.450 -15.034 9.123 1.00 0.00 C ATOM 1165 O ARG A 86 -0.662 -15.659 10.164 1.00 0.00 O ATOM 1166 CB ARG A 86 -2.885 -15.316 8.536 1.00 0.00 C ATOM 1167 CG ARG A 86 -3.430 -14.213 9.437 1.00 0.00 C ATOM 1168 CD ARG A 86 -4.037 -14.778 10.712 1.00 0.00 C ATOM 1169 NE ARG A 86 -4.958 -13.831 11.357 1.00 0.00 N ATOM 1170 CZ ARG A 86 -5.771 -14.141 12.362 1.00 0.00 C ATOM 1171 NH1 ARG A 86 -5.779 -15.365 12.857 1.00 0.00 N ATOM 1172 NH2 ARG A 86 -6.570 -13.224 12.873 1.00 0.00 N ATOM 0 H ARG A 86 -1.015 -15.612 6.014 1.00 0.00 H new ATOM 0 HA ARG A 86 -1.468 -14.043 7.527 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -3.570 -15.461 7.701 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -2.863 -16.251 9.096 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.627 -13.521 9.692 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -4.185 -13.641 8.897 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -4.570 -15.700 10.481 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.239 -15.037 11.408 1.00 0.00 H new ATOM 0 HE ARG A 86 -4.974 -12.872 11.010 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -5.160 -16.076 12.468 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -6.404 -15.599 13.628 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -6.564 -12.276 12.497 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -7.193 -13.463 13.644 1.00 0.00 H new ATOM 1186 N LEU A 87 0.671 -14.337 8.919 1.00 0.00 N ATOM 1187 CA LEU A 87 1.725 -14.275 9.935 1.00 0.00 C ATOM 1188 C LEU A 87 2.129 -12.830 10.258 1.00 0.00 C ATOM 1189 O LEU A 87 3.280 -12.433 10.060 1.00 0.00 O ATOM 1190 CB LEU A 87 2.943 -15.085 9.478 1.00 0.00 C ATOM 1191 CG LEU A 87 3.701 -15.803 10.598 1.00 0.00 C ATOM 1192 CD1 LEU A 87 2.939 -17.037 11.054 1.00 0.00 C ATOM 1193 CD2 LEU A 87 5.098 -16.184 10.135 1.00 0.00 C ATOM 0 H LEU A 87 0.871 -13.812 8.068 1.00 0.00 H new ATOM 0 HA LEU A 87 1.327 -14.710 10.852 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.615 -15.826 8.749 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.633 -14.416 8.964 1.00 0.00 H new ATOM 0 HG LEU A 87 3.790 -15.121 11.444 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.494 -17.534 11.850 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.957 -16.742 11.425 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.819 -17.721 10.214 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.623 -16.693 10.943 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.027 -16.848 9.273 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.647 -15.284 9.856 1.00 0.00 H new ATOM 1205 N SER A 88 1.176 -12.056 10.775 1.00 0.00 N ATOM 1206 CA SER A 88 1.427 -10.662 11.151 1.00 0.00 C ATOM 1207 C SER A 88 0.704 -10.326 12.456 1.00 0.00 C ATOM 1208 O SER A 88 -0.367 -10.866 12.736 1.00 0.00 O ATOM 1209 CB SER A 88 0.983 -9.704 10.040 1.00 0.00 C ATOM 1210 OG SER A 88 1.959 -8.694 9.816 1.00 0.00 O ATOM 0 H SER A 88 0.220 -12.370 10.944 1.00 0.00 H new ATOM 0 HA SER A 88 2.500 -10.540 11.298 1.00 0.00 H new ATOM 0 HB2 SER A 88 0.815 -10.263 9.119 1.00 0.00 H new ATOM 0 HB3 SER A 88 0.033 -9.243 10.311 1.00 0.00 H new ATOM 0 HG SER A 88 1.701 -8.156 9.039 1.00 0.00 H new ATOM 1216 N ARG A 89 1.302 -9.444 13.254 1.00 0.00 N ATOM 1217 CA ARG A 89 0.718 -9.048 14.534 1.00 0.00 C ATOM 1218 C ARG A 89 0.953 -7.565 14.814 1.00 0.00 C ATOM 1219 O ARG A 89 2.128 -7.139 14.807 1.00 0.00 O ATOM 1220 CB ARG A 89 1.306 -9.892 15.668 1.00 0.00 C ATOM 1221 CG ARG A 89 1.010 -11.380 15.537 1.00 0.00 C ATOM 1222 CD ARG A 89 1.483 -12.157 16.757 1.00 0.00 C ATOM 1223 NE ARG A 89 0.886 -11.653 17.998 1.00 0.00 N ATOM 1224 CZ ARG A 89 -0.395 -11.784 18.323 1.00 0.00 C ATOM 1225 NH1 ARG A 89 -1.232 -12.415 17.519 1.00 0.00 N ATOM 1226 NH2 ARG A 89 -0.839 -11.284 19.461 1.00 0.00 N ATOM 0 H ARG A 89 2.190 -8.990 13.037 1.00 0.00 H new ATOM 0 HA ARG A 89 -0.357 -9.219 14.479 1.00 0.00 H new ATOM 0 HB2 ARG A 89 2.386 -9.746 15.696 1.00 0.00 H new ATOM 0 HB3 ARG A 89 0.911 -9.534 16.619 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.062 -11.528 15.404 1.00 0.00 H new ATOM 0 HG3 ARG A 89 1.498 -11.771 14.644 1.00 0.00 H new ATOM 0 HD2 ARG A 89 1.231 -13.210 16.636 1.00 0.00 H new ATOM 0 HD3 ARG A 89 2.569 -12.096 16.827 1.00 0.00 H new ATOM 0 HE ARG A 89 1.496 -11.169 18.656 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -0.896 -12.807 16.639 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -2.214 -12.510 17.778 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -0.199 -10.798 20.089 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -1.822 -11.383 19.713 1.00 0.00 H new TER 1240 ARG A 89