USER MOD reduce.3.24.130724 H: found=0, std=0, add=318, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 318 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 Single : A 1 LEU N :NH3+ -118:sc= -0.16 (180deg=-1.77!) USER MOD Single : A 5 CYS SG : rot 49:sc= 0.0482 USER MOD Single : A 6 CYS SG : rot 58:sc= 0.187 USER MOD Single : A 9 ASN : amide:sc= 0.936 K(o=0.94,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -114:sc= -0.118 (180deg=-1.04) USER MOD Single : A 33 MET CE :methyl -170:sc= -0.0269 (180deg=-0.213) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 15.771 27.258 -16.768 1.00 18.53 N ATOM 2 CA LEU A 1 14.737 26.413 -16.141 1.00 17.56 C ATOM 3 C LEU A 1 14.625 26.880 -14.695 1.00 17.64 C ATOM 4 O LEU A 1 15.633 27.349 -14.175 1.00 18.33 O ATOM 5 CB LEU A 1 15.134 24.927 -16.172 1.00 17.10 C ATOM 6 CG LEU A 1 14.809 24.196 -17.486 1.00 16.42 C ATOM 7 CD1 LEU A 1 15.450 24.833 -18.725 1.00 16.90 C ATOM 8 CD2 LEU A 1 15.297 22.748 -17.368 1.00 16.10 C ATOM 0 H1 LEU A 1 15.348 27.805 -17.545 1.00 18.53 H new ATOM 0 H2 LEU A 1 16.163 27.910 -16.059 1.00 18.53 H new ATOM 0 H3 LEU A 1 16.532 26.656 -17.142 1.00 18.53 H new ATOM 0 HA LEU A 1 13.793 26.505 -16.678 1.00 17.56 H new ATOM 0 HB2 LEU A 1 16.205 24.848 -15.985 1.00 17.10 H new ATOM 0 HB3 LEU A 1 14.629 24.414 -15.354 1.00 17.10 H new ATOM 0 HG LEU A 1 13.730 24.258 -17.626 1.00 16.42 H new ATOM 0 HD11 LEU A 1 15.175 24.262 -19.611 1.00 16.90 H new ATOM 0 HD12 LEU A 1 15.097 25.859 -18.831 1.00 16.90 H new ATOM 0 HD13 LEU A 1 16.534 24.832 -18.615 1.00 16.90 H new ATOM 0 HD21 LEU A 1 15.075 22.213 -18.291 1.00 16.10 H new ATOM 0 HD22 LEU A 1 16.373 22.740 -17.193 1.00 16.10 H new ATOM 0 HD23 LEU A 1 14.791 22.260 -16.535 1.00 16.10 H new ATOM 22 N ARG A 2 13.445 26.784 -14.074 1.00 17.20 N ATOM 23 CA ARG A 2 13.221 27.155 -12.680 1.00 17.48 C ATOM 24 C ARG A 2 12.159 26.222 -12.091 1.00 16.31 C ATOM 25 O ARG A 2 10.998 26.602 -12.010 1.00 16.37 O ATOM 26 CB ARG A 2 12.766 28.623 -12.568 1.00 18.75 C ATOM 27 CG ARG A 2 13.827 29.685 -12.903 1.00 19.67 C ATOM 28 CD ARG A 2 15.033 29.690 -11.948 1.00 20.36 C ATOM 29 NE ARG A 2 14.641 29.868 -10.537 1.00 20.99 N ATOM 30 CZ ARG A 2 14.373 31.041 -9.938 1.00 22.18 C ATOM 31 NH1 ARG A 2 14.388 32.174 -10.649 1.00 22.86 N ATOM 32 NH2 ARG A 2 14.092 31.076 -8.631 1.00 22.85 N ATOM 0 H ARG A 2 12.605 26.439 -14.538 1.00 17.20 H new ATOM 0 HA ARG A 2 14.153 27.055 -12.124 1.00 17.48 H new ATOM 0 HB2 ARG A 2 11.912 28.770 -13.230 1.00 18.75 H new ATOM 0 HB3 ARG A 2 12.415 28.797 -11.551 1.00 18.75 H new ATOM 0 HG2 ARG A 2 14.183 29.520 -13.920 1.00 19.67 H new ATOM 0 HG3 ARG A 2 13.359 30.669 -12.885 1.00 19.67 H new ATOM 0 HD2 ARG A 2 15.579 28.752 -12.054 1.00 20.36 H new ATOM 0 HD3 ARG A 2 15.715 30.490 -12.235 1.00 20.36 H new ATOM 0 HE ARG A 2 14.567 29.026 -9.965 1.00 20.99 H new ATOM 0 HH11 ARG A 2 14.603 32.148 -11.646 1.00 22.86 H new ATOM 0 HH12 ARG A 2 14.185 33.064 -10.194 1.00 22.86 H new ATOM 0 HH21 ARG A 2 14.081 30.212 -8.088 1.00 22.85 H new ATOM 0 HH22 ARG A 2 13.889 31.966 -8.177 1.00 22.85 H new ATOM 46 N ILE A 3 12.566 25.011 -11.689 1.00 15.45 N ATOM 47 CA ILE A 3 11.733 24.037 -10.985 1.00 14.57 C ATOM 48 C ILE A 3 10.356 23.874 -11.664 1.00 13.44 C ATOM 49 O ILE A 3 9.346 24.332 -11.135 1.00 13.85 O ATOM 50 CB ILE A 3 11.627 24.380 -9.479 1.00 15.57 C ATOM 51 CG1 ILE A 3 12.991 24.587 -8.783 1.00 16.41 C ATOM 52 CG2 ILE A 3 10.933 23.227 -8.729 1.00 15.50 C ATOM 53 CD1 ILE A 3 13.637 25.960 -9.001 1.00 17.32 C ATOM 0 H ILE A 3 13.515 24.675 -11.852 1.00 15.45 H new ATOM 0 HA ILE A 3 12.219 23.064 -11.049 1.00 14.57 H new ATOM 0 HB ILE A 3 11.067 25.314 -9.439 1.00 15.57 H new ATOM 0 HG12 ILE A 3 12.861 24.431 -7.712 1.00 16.41 H new ATOM 0 HG13 ILE A 3 13.680 23.820 -9.136 1.00 16.41 H new ATOM 0 HG21 ILE A 3 10.861 23.473 -7.670 1.00 15.50 H new ATOM 0 HG22 ILE A 3 9.933 23.078 -9.136 1.00 15.50 H new ATOM 0 HG23 ILE A 3 11.514 22.313 -8.850 1.00 15.50 H new ATOM 0 HD11 ILE A 3 14.589 26.002 -8.472 1.00 17.32 H new ATOM 0 HD12 ILE A 3 13.807 26.117 -10.066 1.00 17.32 H new ATOM 0 HD13 ILE A 3 12.975 26.738 -8.621 1.00 17.32 H new ATOM 65 N PRO A 4 10.284 23.209 -12.831 1.00 12.30 N ATOM 66 CA PRO A 4 9.031 23.048 -13.559 1.00 11.49 C ATOM 67 C PRO A 4 8.026 22.172 -12.802 1.00 10.96 C ATOM 68 O PRO A 4 6.830 22.272 -13.050 1.00 11.60 O ATOM 69 CB PRO A 4 9.418 22.446 -14.913 1.00 10.86 C ATOM 70 CG PRO A 4 10.725 21.710 -14.618 1.00 10.90 C ATOM 71 CD PRO A 4 11.383 22.587 -13.552 1.00 12.10 C ATOM 0 HA PRO A 4 8.520 24.003 -13.681 1.00 11.49 H new ATOM 0 HB2 PRO A 4 8.650 21.767 -15.284 1.00 10.86 H new ATOM 0 HB3 PRO A 4 9.554 23.218 -15.671 1.00 10.86 H new ATOM 0 HG2 PRO A 4 10.545 20.699 -14.253 1.00 10.90 H new ATOM 0 HG3 PRO A 4 11.348 21.622 -15.508 1.00 10.90 H new ATOM 0 HD2 PRO A 4 12.005 21.992 -12.883 1.00 12.10 H new ATOM 0 HD3 PRO A 4 12.030 23.338 -14.006 1.00 12.10 H new ATOM 79 N CYS A 5 8.511 21.278 -11.929 1.00 10.17 N ATOM 80 CA CYS A 5 7.724 20.464 -10.995 1.00 10.15 C ATOM 81 C CYS A 5 6.825 19.448 -11.704 1.00 8.62 C ATOM 82 O CYS A 5 5.953 18.839 -11.088 1.00 8.89 O ATOM 83 CB CYS A 5 6.987 21.328 -9.950 1.00 11.81 C ATOM 84 SG CYS A 5 5.244 21.634 -10.356 1.00 12.47 S ATOM 0 H CYS A 5 9.511 21.095 -11.852 1.00 10.17 H new ATOM 0 HA CYS A 5 8.433 19.860 -10.429 1.00 10.15 H new ATOM 0 HB2 CYS A 5 7.044 20.836 -8.979 1.00 11.81 H new ATOM 0 HB3 CYS A 5 7.502 22.284 -9.853 1.00 11.81 H new ATOM 0 HG CYS A 5 4.668 20.512 -10.670 1.00 12.47 H new ATOM 90 N CYS A 6 7.095 19.234 -12.993 1.00 7.47 N ATOM 91 CA CYS A 6 6.296 18.404 -13.887 1.00 6.40 C ATOM 92 C CYS A 6 6.652 16.914 -13.786 1.00 4.84 C ATOM 93 O CYS A 6 5.755 16.107 -13.566 1.00 4.37 O ATOM 94 CB CYS A 6 6.384 18.935 -15.323 1.00 6.64 C ATOM 95 SG CYS A 6 5.337 20.405 -15.484 1.00 8.08 S ATOM 0 H CYS A 6 7.904 19.649 -13.456 1.00 7.47 H new ATOM 0 HA CYS A 6 5.256 18.472 -13.567 1.00 6.40 H new ATOM 0 HB2 CYS A 6 7.417 19.182 -15.569 1.00 6.64 H new ATOM 0 HB3 CYS A 6 6.063 18.167 -16.027 1.00 6.64 H new ATOM 0 HG CYS A 6 5.717 21.304 -14.625 1.00 8.08 H new ATOM 101 N PRO A 7 7.923 16.498 -13.946 1.00 4.35 N ATOM 102 CA PRO A 7 8.303 15.110 -13.704 1.00 3.26 C ATOM 103 C PRO A 7 8.241 14.795 -12.206 1.00 2.56 C ATOM 104 O PRO A 7 7.850 13.699 -11.798 1.00 2.60 O ATOM 105 CB PRO A 7 9.720 14.968 -14.269 1.00 3.91 C ATOM 106 CG PRO A 7 10.295 16.381 -14.164 1.00 4.93 C ATOM 107 CD PRO A 7 9.073 17.271 -14.397 1.00 5.28 C ATOM 0 HA PRO A 7 7.627 14.403 -14.184 1.00 3.26 H new ATOM 0 HB2 PRO A 7 10.310 14.252 -13.696 1.00 3.91 H new ATOM 0 HB3 PRO A 7 9.706 14.617 -15.301 1.00 3.91 H new ATOM 0 HG2 PRO A 7 10.745 16.562 -13.188 1.00 4.93 H new ATOM 0 HG3 PRO A 7 11.070 16.557 -14.910 1.00 4.93 H new ATOM 0 HD2 PRO A 7 9.158 18.205 -13.841 1.00 5.28 H new ATOM 0 HD3 PRO A 7 8.977 17.535 -15.450 1.00 5.28 H new ATOM 115 N VAL A 8 8.621 15.769 -11.371 1.00 2.63 N ATOM 116 CA VAL A 8 8.358 15.709 -9.942 1.00 2.43 C ATOM 117 C VAL A 8 6.841 15.637 -9.752 1.00 2.18 C ATOM 118 O VAL A 8 6.078 16.024 -10.630 1.00 2.90 O ATOM 119 CB VAL A 8 8.960 16.923 -9.208 1.00 3.33 C ATOM 120 CG1 VAL A 8 9.003 16.706 -7.688 1.00 4.56 C ATOM 121 CG2 VAL A 8 10.384 17.248 -9.685 1.00 3.59 C ATOM 0 H VAL A 8 9.114 16.610 -11.670 1.00 2.63 H new ATOM 0 HA VAL A 8 8.831 14.827 -9.511 1.00 2.43 H new ATOM 0 HB VAL A 8 8.302 17.759 -9.444 1.00 3.33 H new ATOM 0 HG11 VAL A 8 9.434 17.584 -7.207 1.00 4.56 H new ATOM 0 HG12 VAL A 8 7.991 16.547 -7.314 1.00 4.56 H new ATOM 0 HG13 VAL A 8 9.614 15.832 -7.462 1.00 4.56 H new ATOM 0 HG21 VAL A 8 10.763 18.111 -9.137 1.00 3.59 H new ATOM 0 HG22 VAL A 8 11.033 16.391 -9.505 1.00 3.59 H new ATOM 0 HG23 VAL A 8 10.368 17.474 -10.751 1.00 3.59 H new ATOM 131 N ASN A 9 6.396 15.098 -8.620 1.00 2.11 N ATOM 132 CA ASN A 9 4.992 14.867 -8.274 1.00 1.79 C ATOM 133 C ASN A 9 4.387 13.718 -9.081 1.00 1.41 C ATOM 134 O ASN A 9 3.828 12.790 -8.505 1.00 1.26 O ATOM 135 CB ASN A 9 4.133 16.137 -8.411 1.00 1.93 C ATOM 136 CG ASN A 9 4.746 17.333 -7.694 1.00 3.15 C ATOM 137 OD1 ASN A 9 4.678 17.426 -6.473 1.00 4.17 O ATOM 138 ND2 ASN A 9 5.370 18.249 -8.430 1.00 3.96 N ATOM 0 H ASN A 9 7.033 14.795 -7.883 1.00 2.11 H new ATOM 0 HA ASN A 9 4.986 14.582 -7.222 1.00 1.79 H new ATOM 0 HB2 ASN A 9 4.008 16.375 -9.467 1.00 1.93 H new ATOM 0 HB3 ASN A 9 3.139 15.945 -8.007 1.00 1.93 H new ATOM 0 HD21 ASN A 9 5.807 19.053 -7.980 1.00 3.96 H new ATOM 0 HD22 ASN A 9 5.411 18.147 -9.444 1.00 3.96 H new ATOM 145 N LEU A 10 4.605 13.696 -10.393 1.00 1.51 N ATOM 146 CA LEU A 10 4.179 12.612 -11.265 1.00 1.39 C ATOM 147 C LEU A 10 4.973 11.361 -10.902 1.00 1.10 C ATOM 148 O LEU A 10 4.402 10.297 -10.668 1.00 0.97 O ATOM 149 CB LEU A 10 4.377 13.008 -12.737 1.00 1.85 C ATOM 150 CG LEU A 10 3.228 13.843 -13.334 1.00 2.98 C ATOM 151 CD1 LEU A 10 2.008 12.969 -13.653 1.00 3.57 C ATOM 152 CD2 LEU A 10 2.800 15.021 -12.449 1.00 4.69 C ATOM 0 H LEU A 10 5.091 14.445 -10.886 1.00 1.51 H new ATOM 0 HA LEU A 10 3.117 12.406 -11.129 1.00 1.39 H new ATOM 0 HB2 LEU A 10 5.305 13.573 -12.826 1.00 1.85 H new ATOM 0 HB3 LEU A 10 4.497 12.102 -13.331 1.00 1.85 H new ATOM 0 HG LEU A 10 3.629 14.262 -14.257 1.00 2.98 H new ATOM 0 HD11 LEU A 10 1.216 13.589 -14.073 1.00 3.57 H new ATOM 0 HD12 LEU A 10 2.289 12.202 -14.375 1.00 3.57 H new ATOM 0 HD13 LEU A 10 1.651 12.494 -12.739 1.00 3.57 H new ATOM 0 HD21 LEU A 10 1.988 15.563 -12.933 1.00 4.69 H new ATOM 0 HD22 LEU A 10 2.462 14.646 -11.483 1.00 4.69 H new ATOM 0 HD23 LEU A 10 3.646 15.692 -12.302 1.00 4.69 H new ATOM 164 N LYS A 11 6.297 11.497 -10.776 1.00 1.05 N ATOM 165 CA LYS A 11 7.121 10.389 -10.315 1.00 0.86 C ATOM 166 C LYS A 11 6.647 9.916 -8.936 1.00 0.58 C ATOM 167 O LYS A 11 6.565 8.718 -8.666 1.00 0.53 O ATOM 168 CB LYS A 11 8.609 10.759 -10.366 1.00 0.90 C ATOM 169 CG LYS A 11 9.034 11.811 -9.341 1.00 2.82 C ATOM 170 CD LYS A 11 10.381 12.454 -9.698 1.00 3.72 C ATOM 171 CE LYS A 11 11.575 11.484 -9.717 1.00 3.71 C ATOM 172 NZ LYS A 11 11.691 10.729 -10.984 1.00 3.72 N ATOM 0 H LYS A 11 6.810 12.353 -10.985 1.00 1.05 H new ATOM 0 HA LYS A 11 7.005 9.539 -10.988 1.00 0.86 H new ATOM 0 HB2 LYS A 11 9.201 9.857 -10.209 1.00 0.90 H new ATOM 0 HB3 LYS A 11 8.846 11.126 -11.365 1.00 0.90 H new ATOM 0 HG2 LYS A 11 8.269 12.585 -9.278 1.00 2.82 H new ATOM 0 HG3 LYS A 11 9.103 11.350 -8.356 1.00 2.82 H new ATOM 0 HD2 LYS A 11 10.296 12.922 -10.679 1.00 3.72 H new ATOM 0 HD3 LYS A 11 10.589 13.250 -8.982 1.00 3.72 H new ATOM 0 HE2 LYS A 11 12.494 12.046 -9.551 1.00 3.71 H new ATOM 0 HE3 LYS A 11 11.477 10.781 -8.890 1.00 3.71 H new ATOM 0 HZ1 LYS A 11 11.522 9.719 -10.803 1.00 3.72 H new ATOM 0 HZ2 LYS A 11 10.988 11.082 -11.664 1.00 3.72 H new ATOM 0 HZ3 LYS A 11 12.646 10.855 -11.377 1.00 3.72 H new ATOM 186 N ARG A 12 6.301 10.867 -8.062 1.00 0.55 N ATOM 187 CA ARG A 12 5.823 10.566 -6.737 1.00 0.49 C ATOM 188 C ARG A 12 4.458 9.879 -6.774 1.00 0.34 C ATOM 189 O ARG A 12 4.151 9.087 -5.893 1.00 0.43 O ATOM 190 CB ARG A 12 5.803 11.871 -5.933 1.00 0.72 C ATOM 191 CG ARG A 12 5.746 11.528 -4.454 1.00 2.32 C ATOM 192 CD ARG A 12 5.716 12.780 -3.569 1.00 2.66 C ATOM 193 NE ARG A 12 5.413 12.448 -2.166 1.00 3.87 N ATOM 194 CZ ARG A 12 6.268 11.909 -1.279 1.00 4.98 C ATOM 195 NH1 ARG A 12 7.522 11.628 -1.648 1.00 5.49 N ATOM 196 NH2 ARG A 12 5.863 11.652 -0.030 1.00 6.23 N ATOM 0 H ARG A 12 6.350 11.865 -8.268 1.00 0.55 H new ATOM 0 HA ARG A 12 6.491 9.856 -6.249 1.00 0.49 H new ATOM 0 HB2 ARG A 12 6.692 12.463 -6.150 1.00 0.72 H new ATOM 0 HB3 ARG A 12 4.941 12.476 -6.215 1.00 0.72 H new ATOM 0 HG2 ARG A 12 4.860 10.925 -4.257 1.00 2.32 H new ATOM 0 HG3 ARG A 12 6.611 10.920 -4.190 1.00 2.32 H new ATOM 0 HD2 ARG A 12 6.679 13.287 -3.623 1.00 2.66 H new ATOM 0 HD3 ARG A 12 4.968 13.476 -3.948 1.00 2.66 H new ATOM 0 HE ARG A 12 4.468 12.645 -1.837 1.00 3.87 H new ATOM 0 HH11 ARG A 12 7.829 11.823 -2.601 1.00 5.49 H new ATOM 0 HH12 ARG A 12 8.172 11.219 -0.976 1.00 5.49 H new ATOM 0 HH21 ARG A 12 4.905 11.865 0.250 1.00 6.23 H new ATOM 0 HH22 ARG A 12 6.512 11.243 0.643 1.00 6.23 H new ATOM 210 N LEU A 13 3.671 10.115 -7.819 1.00 0.26 N ATOM 211 CA LEU A 13 2.408 9.427 -8.038 1.00 0.24 C ATOM 212 C LEU A 13 2.692 7.928 -8.154 1.00 0.26 C ATOM 213 O LEU A 13 2.079 7.115 -7.468 1.00 0.38 O ATOM 214 CB LEU A 13 1.692 9.998 -9.268 1.00 0.30 C ATOM 215 CG LEU A 13 0.157 9.971 -9.178 1.00 0.69 C ATOM 216 CD1 LEU A 13 -0.425 10.601 -10.448 1.00 2.05 C ATOM 217 CD2 LEU A 13 -0.405 8.554 -9.014 1.00 1.62 C ATOM 0 H LEU A 13 3.896 10.797 -8.544 1.00 0.26 H new ATOM 0 HA LEU A 13 1.731 9.582 -7.198 1.00 0.24 H new ATOM 0 HB2 LEU A 13 2.017 11.028 -9.417 1.00 0.30 H new ATOM 0 HB3 LEU A 13 2.002 9.435 -10.148 1.00 0.30 H new ATOM 0 HG LEU A 13 -0.129 10.535 -8.290 1.00 0.69 H new ATOM 0 HD11 LEU A 13 -1.514 10.587 -10.395 1.00 2.05 H new ATOM 0 HD12 LEU A 13 -0.079 11.631 -10.535 1.00 2.05 H new ATOM 0 HD13 LEU A 13 -0.097 10.034 -11.319 1.00 2.05 H new ATOM 0 HD21 LEU A 13 -1.493 8.598 -8.956 1.00 1.62 H new ATOM 0 HD22 LEU A 13 -0.112 7.945 -9.869 1.00 1.62 H new ATOM 0 HD23 LEU A 13 -0.011 8.110 -8.100 1.00 1.62 H new ATOM 229 N LEU A 14 3.675 7.556 -8.979 1.00 0.29 N ATOM 230 CA LEU A 14 4.089 6.169 -9.112 1.00 0.41 C ATOM 231 C LEU A 14 4.497 5.574 -7.762 1.00 0.38 C ATOM 232 O LEU A 14 4.064 4.481 -7.394 1.00 0.51 O ATOM 233 CB LEU A 14 5.214 6.050 -10.151 1.00 0.51 C ATOM 234 CG LEU A 14 5.313 4.647 -10.775 1.00 0.67 C ATOM 235 CD1 LEU A 14 4.151 4.348 -11.732 1.00 1.85 C ATOM 236 CD2 LEU A 14 6.630 4.540 -11.551 1.00 2.27 C ATOM 0 H LEU A 14 4.198 8.206 -9.566 1.00 0.29 H new ATOM 0 HA LEU A 14 3.238 5.587 -9.466 1.00 0.41 H new ATOM 0 HB2 LEU A 14 5.049 6.782 -10.942 1.00 0.51 H new ATOM 0 HB3 LEU A 14 6.164 6.299 -9.679 1.00 0.51 H new ATOM 0 HG LEU A 14 5.270 3.921 -9.963 1.00 0.67 H new ATOM 0 HD11 LEU A 14 4.268 3.346 -12.145 1.00 1.85 H new ATOM 0 HD12 LEU A 14 3.208 4.408 -11.189 1.00 1.85 H new ATOM 0 HD13 LEU A 14 4.150 5.077 -12.543 1.00 1.85 H new ATOM 0 HD21 LEU A 14 6.710 3.549 -11.997 1.00 2.27 H new ATOM 0 HD22 LEU A 14 6.651 5.295 -12.337 1.00 2.27 H new ATOM 0 HD23 LEU A 14 7.467 4.700 -10.871 1.00 2.27 H new ATOM 248 N VAL A 15 5.299 6.320 -6.997 1.00 0.26 N ATOM 249 CA VAL A 15 5.665 5.905 -5.647 1.00 0.30 C ATOM 250 C VAL A 15 4.398 5.682 -4.811 1.00 0.42 C ATOM 251 O VAL A 15 4.264 4.650 -4.161 1.00 0.53 O ATOM 252 CB VAL A 15 6.635 6.909 -4.996 1.00 0.29 C ATOM 253 CG1 VAL A 15 6.988 6.487 -3.563 1.00 0.47 C ATOM 254 CG2 VAL A 15 7.937 7.011 -5.803 1.00 0.32 C ATOM 0 H VAL A 15 5.704 7.209 -7.291 1.00 0.26 H new ATOM 0 HA VAL A 15 6.201 4.957 -5.698 1.00 0.30 H new ATOM 0 HB VAL A 15 6.131 7.875 -4.979 1.00 0.29 H new ATOM 0 HG11 VAL A 15 7.674 7.214 -3.128 1.00 0.47 H new ATOM 0 HG12 VAL A 15 6.079 6.441 -2.963 1.00 0.47 H new ATOM 0 HG13 VAL A 15 7.462 5.505 -3.579 1.00 0.47 H new ATOM 0 HG21 VAL A 15 8.607 7.726 -5.325 1.00 0.32 H new ATOM 0 HG22 VAL A 15 8.418 6.034 -5.843 1.00 0.32 H new ATOM 0 HG23 VAL A 15 7.712 7.346 -6.816 1.00 0.32 H new ATOM 264 N VAL A 16 3.455 6.628 -4.838 1.00 0.45 N ATOM 265 CA VAL A 16 2.196 6.504 -4.120 1.00 0.59 C ATOM 266 C VAL A 16 1.472 5.228 -4.548 1.00 0.67 C ATOM 267 O VAL A 16 1.019 4.492 -3.682 1.00 0.77 O ATOM 268 CB VAL A 16 1.339 7.777 -4.261 1.00 0.60 C ATOM 269 CG1 VAL A 16 -0.100 7.558 -3.775 1.00 0.78 C ATOM 270 CG2 VAL A 16 1.948 8.916 -3.431 1.00 0.65 C ATOM 0 H VAL A 16 3.549 7.499 -5.360 1.00 0.45 H new ATOM 0 HA VAL A 16 2.399 6.410 -3.053 1.00 0.59 H new ATOM 0 HB VAL A 16 1.322 8.030 -5.321 1.00 0.60 H new ATOM 0 HG11 VAL A 16 -0.668 8.481 -3.893 1.00 0.78 H new ATOM 0 HG12 VAL A 16 -0.566 6.767 -4.363 1.00 0.78 H new ATOM 0 HG13 VAL A 16 -0.089 7.270 -2.724 1.00 0.78 H new ATOM 0 HG21 VAL A 16 1.335 9.811 -3.537 1.00 0.65 H new ATOM 0 HG22 VAL A 16 1.984 8.623 -2.382 1.00 0.65 H new ATOM 0 HG23 VAL A 16 2.958 9.124 -3.784 1.00 0.65 H new ATOM 280 N VAL A 17 1.380 4.926 -5.846 1.00 0.64 N ATOM 281 CA VAL A 17 0.772 3.691 -6.313 1.00 0.75 C ATOM 282 C VAL A 17 1.434 2.478 -5.640 1.00 0.77 C ATOM 283 O VAL A 17 0.753 1.630 -5.062 1.00 0.86 O ATOM 284 CB VAL A 17 0.801 3.636 -7.851 1.00 0.76 C ATOM 285 CG1 VAL A 17 0.381 2.260 -8.370 1.00 0.90 C ATOM 286 CG2 VAL A 17 -0.156 4.682 -8.440 1.00 0.78 C ATOM 0 H VAL A 17 1.724 5.530 -6.593 1.00 0.64 H new ATOM 0 HA VAL A 17 -0.278 3.661 -6.022 1.00 0.75 H new ATOM 0 HB VAL A 17 1.826 3.840 -8.160 1.00 0.76 H new ATOM 0 HG11 VAL A 17 0.413 2.257 -9.460 1.00 0.90 H new ATOM 0 HG12 VAL A 17 1.063 1.502 -7.985 1.00 0.90 H new ATOM 0 HG13 VAL A 17 -0.633 2.039 -8.036 1.00 0.90 H new ATOM 0 HG21 VAL A 17 -0.125 4.632 -9.528 1.00 0.78 H new ATOM 0 HG22 VAL A 17 -1.171 4.481 -8.096 1.00 0.78 H new ATOM 0 HG23 VAL A 17 0.147 5.677 -8.114 1.00 0.78 H new ATOM 296 N VAL A 18 2.766 2.395 -5.681 1.00 0.70 N ATOM 297 CA VAL A 18 3.484 1.315 -5.024 1.00 0.72 C ATOM 298 C VAL A 18 3.156 1.268 -3.524 1.00 0.75 C ATOM 299 O VAL A 18 2.874 0.201 -2.973 1.00 0.80 O ATOM 300 CB VAL A 18 4.995 1.420 -5.306 1.00 0.65 C ATOM 301 CG1 VAL A 18 5.783 0.344 -4.547 1.00 0.75 C ATOM 302 CG2 VAL A 18 5.279 1.251 -6.805 1.00 0.64 C ATOM 0 H VAL A 18 3.364 3.066 -6.164 1.00 0.70 H new ATOM 0 HA VAL A 18 3.151 0.364 -5.440 1.00 0.72 H new ATOM 0 HB VAL A 18 5.312 2.407 -4.970 1.00 0.65 H new ATOM 0 HG11 VAL A 18 6.845 0.447 -4.769 1.00 0.75 H new ATOM 0 HG12 VAL A 18 5.623 0.463 -3.476 1.00 0.75 H new ATOM 0 HG13 VAL A 18 5.442 -0.644 -4.857 1.00 0.75 H new ATOM 0 HG21 VAL A 18 6.352 1.328 -6.983 1.00 0.64 H new ATOM 0 HG22 VAL A 18 4.926 0.274 -7.134 1.00 0.64 H new ATOM 0 HG23 VAL A 18 4.761 2.031 -7.364 1.00 0.64 H new ATOM 312 N VAL A 19 3.167 2.424 -2.855 1.00 0.73 N ATOM 313 CA VAL A 19 2.859 2.504 -1.437 1.00 0.77 C ATOM 314 C VAL A 19 1.443 1.986 -1.196 1.00 0.82 C ATOM 315 O VAL A 19 1.231 1.227 -0.260 1.00 0.79 O ATOM 316 CB VAL A 19 3.086 3.928 -0.902 1.00 0.75 C ATOM 317 CG1 VAL A 19 2.544 4.099 0.525 1.00 0.80 C ATOM 318 CG2 VAL A 19 4.586 4.250 -0.880 1.00 0.70 C ATOM 0 H VAL A 19 3.389 3.322 -3.284 1.00 0.73 H new ATOM 0 HA VAL A 19 3.540 1.866 -0.873 1.00 0.77 H new ATOM 0 HB VAL A 19 2.552 4.605 -1.569 1.00 0.75 H new ATOM 0 HG11 VAL A 19 2.725 5.119 0.863 1.00 0.80 H new ATOM 0 HG12 VAL A 19 1.473 3.899 0.534 1.00 0.80 H new ATOM 0 HG13 VAL A 19 3.049 3.400 1.192 1.00 0.80 H new ATOM 0 HG21 VAL A 19 4.736 5.260 -0.500 1.00 0.70 H new ATOM 0 HG22 VAL A 19 5.101 3.539 -0.234 1.00 0.70 H new ATOM 0 HG23 VAL A 19 4.988 4.180 -1.891 1.00 0.70 H new ATOM 328 N VAL A 20 0.482 2.355 -2.045 1.00 0.91 N ATOM 329 CA VAL A 20 -0.891 1.888 -1.961 1.00 0.97 C ATOM 330 C VAL A 20 -0.934 0.358 -1.953 1.00 0.91 C ATOM 331 O VAL A 20 -1.604 -0.225 -1.102 1.00 0.90 O ATOM 332 CB VAL A 20 -1.778 2.527 -3.049 1.00 1.06 C ATOM 333 CG1 VAL A 20 -3.114 1.788 -3.219 1.00 1.22 C ATOM 334 CG2 VAL A 20 -2.089 3.986 -2.688 1.00 1.10 C ATOM 0 H VAL A 20 0.645 2.997 -2.820 1.00 0.91 H new ATOM 0 HA VAL A 20 -1.318 2.218 -1.014 1.00 0.97 H new ATOM 0 HB VAL A 20 -1.219 2.465 -3.983 1.00 1.06 H new ATOM 0 HG11 VAL A 20 -3.703 2.275 -3.996 1.00 1.22 H new ATOM 0 HG12 VAL A 20 -2.924 0.753 -3.503 1.00 1.22 H new ATOM 0 HG13 VAL A 20 -3.664 1.810 -2.278 1.00 1.22 H new ATOM 0 HG21 VAL A 20 -2.716 4.427 -3.463 1.00 1.10 H new ATOM 0 HG22 VAL A 20 -2.614 4.021 -1.733 1.00 1.10 H new ATOM 0 HG23 VAL A 20 -1.158 4.548 -2.611 1.00 1.10 H new ATOM 344 N VAL A 21 -0.213 -0.312 -2.858 1.00 0.89 N ATOM 345 CA VAL A 21 -0.179 -1.761 -2.880 1.00 0.83 C ATOM 346 C VAL A 21 0.346 -2.304 -1.544 1.00 0.70 C ATOM 347 O VAL A 21 -0.246 -3.214 -0.961 1.00 0.63 O ATOM 348 CB VAL A 21 0.667 -2.198 -4.085 1.00 0.89 C ATOM 349 CG1 VAL A 21 0.886 -3.704 -4.074 1.00 0.86 C ATOM 350 CG2 VAL A 21 -0.021 -1.813 -5.403 1.00 0.95 C ATOM 0 H VAL A 21 0.352 0.134 -3.581 1.00 0.89 H new ATOM 0 HA VAL A 21 -1.180 -2.177 -2.996 1.00 0.83 H new ATOM 0 HB VAL A 21 1.627 -1.688 -4.010 1.00 0.89 H new ATOM 0 HG11 VAL A 21 1.488 -3.990 -4.937 1.00 0.86 H new ATOM 0 HG12 VAL A 21 1.405 -3.990 -3.159 1.00 0.86 H new ATOM 0 HG13 VAL A 21 -0.077 -4.212 -4.119 1.00 0.86 H new ATOM 0 HG21 VAL A 21 0.596 -2.132 -6.243 1.00 0.95 H new ATOM 0 HG22 VAL A 21 -0.994 -2.301 -5.462 1.00 0.95 H new ATOM 0 HG23 VAL A 21 -0.155 -0.732 -5.441 1.00 0.95 H new ATOM 360 N LEU A 22 1.441 -1.733 -1.039 1.00 0.64 N ATOM 361 CA LEU A 22 2.012 -2.104 0.242 1.00 0.51 C ATOM 362 C LEU A 22 0.975 -1.892 1.357 1.00 0.49 C ATOM 363 O LEU A 22 0.763 -2.774 2.184 1.00 0.39 O ATOM 364 CB LEU A 22 3.353 -1.350 0.392 1.00 0.51 C ATOM 365 CG LEU A 22 3.667 -0.806 1.785 1.00 0.47 C ATOM 366 CD1 LEU A 22 3.989 -1.927 2.781 1.00 0.38 C ATOM 367 CD2 LEU A 22 4.866 0.148 1.720 1.00 0.50 C ATOM 0 H LEU A 22 1.956 -0.994 -1.518 1.00 0.64 H new ATOM 0 HA LEU A 22 2.253 -3.164 0.315 1.00 0.51 H new ATOM 0 HB2 LEU A 22 4.159 -2.022 0.096 1.00 0.51 H new ATOM 0 HB3 LEU A 22 3.358 -0.517 -0.311 1.00 0.51 H new ATOM 0 HG LEU A 22 2.777 -0.280 2.130 1.00 0.47 H new ATOM 0 HD11 LEU A 22 4.206 -1.495 3.758 1.00 0.38 H new ATOM 0 HD12 LEU A 22 3.134 -2.598 2.863 1.00 0.38 H new ATOM 0 HD13 LEU A 22 4.857 -2.486 2.431 1.00 0.38 H new ATOM 0 HD21 LEU A 22 5.081 0.530 2.718 1.00 0.50 H new ATOM 0 HD22 LEU A 22 5.737 -0.387 1.341 1.00 0.50 H new ATOM 0 HD23 LEU A 22 4.633 0.980 1.055 1.00 0.50 H new ATOM 379 N VAL A 23 0.287 -0.751 1.370 1.00 0.61 N ATOM 380 CA VAL A 23 -0.707 -0.407 2.355 1.00 0.64 C ATOM 381 C VAL A 23 -1.865 -1.398 2.290 1.00 0.60 C ATOM 382 O VAL A 23 -2.356 -1.822 3.330 1.00 0.55 O ATOM 383 CB VAL A 23 -1.116 1.054 2.117 1.00 0.81 C ATOM 384 CG1 VAL A 23 -2.452 1.388 2.764 1.00 0.90 C ATOM 385 CG2 VAL A 23 -0.037 1.999 2.663 1.00 0.84 C ATOM 0 H VAL A 23 0.419 -0.024 0.667 1.00 0.61 H new ATOM 0 HA VAL A 23 -0.320 -0.480 3.371 1.00 0.64 H new ATOM 0 HB VAL A 23 -1.221 1.188 1.040 1.00 0.81 H new ATOM 0 HG11 VAL A 23 -2.700 2.431 2.569 1.00 0.90 H new ATOM 0 HG12 VAL A 23 -3.229 0.747 2.347 1.00 0.90 H new ATOM 0 HG13 VAL A 23 -2.386 1.226 3.840 1.00 0.90 H new ATOM 0 HG21 VAL A 23 -0.337 3.032 2.489 1.00 0.84 H new ATOM 0 HG22 VAL A 23 0.086 1.832 3.733 1.00 0.84 H new ATOM 0 HG23 VAL A 23 0.908 1.805 2.155 1.00 0.84 H new ATOM 395 N VAL A 24 -2.294 -1.806 1.096 1.00 0.65 N ATOM 396 CA VAL A 24 -3.302 -2.809 0.936 1.00 0.63 C ATOM 397 C VAL A 24 -2.809 -4.132 1.524 1.00 0.47 C ATOM 398 O VAL A 24 -3.511 -4.736 2.329 1.00 0.37 O ATOM 399 CB VAL A 24 -3.662 -2.838 -0.556 1.00 0.77 C ATOM 400 CG1 VAL A 24 -4.293 -4.157 -0.951 1.00 0.77 C ATOM 401 CG2 VAL A 24 -4.610 -1.679 -0.892 1.00 0.91 C ATOM 0 H VAL A 24 -1.937 -1.435 0.215 1.00 0.65 H new ATOM 0 HA VAL A 24 -4.219 -2.597 1.486 1.00 0.63 H new ATOM 0 HB VAL A 24 -2.739 -2.726 -1.124 1.00 0.77 H new ATOM 0 HG11 VAL A 24 -4.534 -4.141 -2.014 1.00 0.77 H new ATOM 0 HG12 VAL A 24 -3.594 -4.969 -0.750 1.00 0.77 H new ATOM 0 HG13 VAL A 24 -5.205 -4.311 -0.374 1.00 0.77 H new ATOM 0 HG21 VAL A 24 -4.859 -1.709 -1.953 1.00 0.91 H new ATOM 0 HG22 VAL A 24 -5.522 -1.772 -0.302 1.00 0.91 H new ATOM 0 HG23 VAL A 24 -4.123 -0.732 -0.660 1.00 0.91 H new ATOM 411 N VAL A 25 -1.594 -4.571 1.187 1.00 0.45 N ATOM 412 CA VAL A 25 -0.998 -5.740 1.801 1.00 0.35 C ATOM 413 C VAL A 25 -0.972 -5.617 3.327 1.00 0.21 C ATOM 414 O VAL A 25 -1.245 -6.590 4.025 1.00 0.18 O ATOM 415 CB VAL A 25 0.378 -6.001 1.163 1.00 0.39 C ATOM 416 CG1 VAL A 25 1.428 -6.537 2.136 1.00 0.31 C ATOM 417 CG2 VAL A 25 0.183 -7.007 0.028 1.00 0.56 C ATOM 0 H VAL A 25 -1.006 -4.123 0.484 1.00 0.45 H new ATOM 0 HA VAL A 25 -1.611 -6.620 1.607 1.00 0.35 H new ATOM 0 HB VAL A 25 0.760 -5.043 0.810 1.00 0.39 H new ATOM 0 HG11 VAL A 25 2.368 -6.694 1.607 1.00 0.31 H new ATOM 0 HG12 VAL A 25 1.580 -5.817 2.940 1.00 0.31 H new ATOM 0 HG13 VAL A 25 1.086 -7.483 2.556 1.00 0.31 H new ATOM 0 HG21 VAL A 25 1.143 -7.213 -0.445 1.00 0.56 H new ATOM 0 HG22 VAL A 25 -0.230 -7.933 0.429 1.00 0.56 H new ATOM 0 HG23 VAL A 25 -0.504 -6.594 -0.710 1.00 0.56 H new ATOM 427 N VAL A 26 -0.675 -4.429 3.852 1.00 0.24 N ATOM 428 CA VAL A 26 -0.640 -4.195 5.289 1.00 0.27 C ATOM 429 C VAL A 26 -2.053 -4.336 5.847 1.00 0.29 C ATOM 430 O VAL A 26 -2.240 -4.995 6.865 1.00 0.34 O ATOM 431 CB VAL A 26 0.013 -2.841 5.604 1.00 0.41 C ATOM 432 CG1 VAL A 26 -0.402 -2.251 6.958 1.00 0.55 C ATOM 433 CG2 VAL A 26 1.539 -2.967 5.537 1.00 0.39 C ATOM 0 H VAL A 26 -0.453 -3.606 3.292 1.00 0.24 H new ATOM 0 HA VAL A 26 -0.017 -4.941 5.783 1.00 0.27 H new ATOM 0 HB VAL A 26 -0.347 -2.147 4.844 1.00 0.41 H new ATOM 0 HG11 VAL A 26 0.101 -1.295 7.108 1.00 0.55 H new ATOM 0 HG12 VAL A 26 -1.481 -2.100 6.974 1.00 0.55 H new ATOM 0 HG13 VAL A 26 -0.120 -2.938 7.756 1.00 0.55 H new ATOM 0 HG21 VAL A 26 1.994 -2.002 5.762 1.00 0.39 H new ATOM 0 HG22 VAL A 26 1.875 -3.705 6.265 1.00 0.39 H new ATOM 0 HG23 VAL A 26 1.834 -3.283 4.537 1.00 0.39 H new ATOM 443 N ILE A 27 -3.055 -3.750 5.185 1.00 0.33 N ATOM 444 CA ILE A 27 -4.438 -3.842 5.604 1.00 0.35 C ATOM 445 C ILE A 27 -4.835 -5.320 5.633 1.00 0.20 C ATOM 446 O ILE A 27 -5.449 -5.788 6.590 1.00 0.22 O ATOM 447 CB ILE A 27 -5.315 -2.983 4.676 1.00 0.47 C ATOM 448 CG1 ILE A 27 -5.268 -1.524 5.166 1.00 0.66 C ATOM 449 CG2 ILE A 27 -6.777 -3.459 4.641 1.00 0.45 C ATOM 450 CD1 ILE A 27 -5.693 -0.523 4.088 1.00 0.81 C ATOM 0 H ILE A 27 -2.918 -3.197 4.339 1.00 0.33 H new ATOM 0 HA ILE A 27 -4.583 -3.446 6.609 1.00 0.35 H new ATOM 0 HB ILE A 27 -4.921 -3.073 3.664 1.00 0.47 H new ATOM 0 HG12 ILE A 27 -5.919 -1.415 6.033 1.00 0.66 H new ATOM 0 HG13 ILE A 27 -4.256 -1.288 5.496 1.00 0.66 H new ATOM 0 HG21 ILE A 27 -7.352 -2.819 3.972 1.00 0.45 H new ATOM 0 HG22 ILE A 27 -6.816 -4.488 4.282 1.00 0.45 H new ATOM 0 HG23 ILE A 27 -7.200 -3.408 5.644 1.00 0.45 H new ATOM 0 HD11 ILE A 27 -5.640 0.489 4.490 1.00 0.81 H new ATOM 0 HD12 ILE A 27 -5.026 -0.608 3.230 1.00 0.81 H new ATOM 0 HD13 ILE A 27 -6.715 -0.737 3.776 1.00 0.81 H new ATOM 462 N VAL A 28 -4.463 -6.066 4.589 1.00 0.17 N ATOM 463 CA VAL A 28 -4.814 -7.469 4.470 1.00 0.25 C ATOM 464 C VAL A 28 -4.149 -8.258 5.597 1.00 0.30 C ATOM 465 O VAL A 28 -4.822 -8.964 6.345 1.00 0.41 O ATOM 466 CB VAL A 28 -4.456 -7.977 3.063 1.00 0.39 C ATOM 467 CG1 VAL A 28 -4.512 -9.504 2.976 1.00 0.53 C ATOM 468 CG2 VAL A 28 -5.433 -7.399 2.029 1.00 0.46 C ATOM 0 H VAL A 28 -3.912 -5.708 3.809 1.00 0.17 H new ATOM 0 HA VAL A 28 -5.889 -7.611 4.582 1.00 0.25 H new ATOM 0 HB VAL A 28 -3.437 -7.650 2.855 1.00 0.39 H new ATOM 0 HG11 VAL A 28 -4.252 -9.821 1.966 1.00 0.53 H new ATOM 0 HG12 VAL A 28 -3.805 -9.935 3.684 1.00 0.53 H new ATOM 0 HG13 VAL A 28 -5.519 -9.845 3.216 1.00 0.53 H new ATOM 0 HG21 VAL A 28 -5.171 -7.765 1.036 1.00 0.46 H new ATOM 0 HG22 VAL A 28 -6.448 -7.711 2.274 1.00 0.46 H new ATOM 0 HG23 VAL A 28 -5.374 -6.311 2.042 1.00 0.46 H new ATOM 478 N GLY A 29 -2.830 -8.126 5.746 1.00 0.27 N ATOM 479 CA GLY A 29 -2.109 -8.781 6.825 1.00 0.37 C ATOM 480 C GLY A 29 -2.702 -8.433 8.189 1.00 0.45 C ATOM 481 O GLY A 29 -2.893 -9.316 9.018 1.00 0.62 O ATOM 0 H GLY A 29 -2.242 -7.568 5.127 1.00 0.27 H new ATOM 0 HA2 GLY A 29 -2.138 -9.861 6.680 1.00 0.37 H new ATOM 0 HA3 GLY A 29 -1.061 -8.483 6.796 1.00 0.37 H new ATOM 485 N ALA A 30 -3.016 -7.158 8.421 1.00 0.40 N ATOM 486 CA ALA A 30 -3.624 -6.706 9.665 1.00 0.51 C ATOM 487 C ALA A 30 -4.981 -7.377 9.888 1.00 0.56 C ATOM 488 O ALA A 30 -5.266 -7.845 10.989 1.00 0.73 O ATOM 489 CB ALA A 30 -3.756 -5.181 9.662 1.00 0.53 C ATOM 0 H ALA A 30 -2.854 -6.410 7.747 1.00 0.40 H new ATOM 0 HA ALA A 30 -2.976 -6.994 10.493 1.00 0.51 H new ATOM 0 HB1 ALA A 30 -4.212 -4.853 10.596 1.00 0.53 H new ATOM 0 HB2 ALA A 30 -2.768 -4.731 9.562 1.00 0.53 H new ATOM 0 HB3 ALA A 30 -4.382 -4.872 8.825 1.00 0.53 H new ATOM 495 N LEU A 31 -5.818 -7.443 8.848 1.00 0.48 N ATOM 496 CA LEU A 31 -7.088 -8.121 8.902 1.00 0.52 C ATOM 497 C LEU A 31 -6.839 -9.579 9.312 1.00 0.71 C ATOM 498 O LEU A 31 -7.401 -10.023 10.309 1.00 0.95 O ATOM 499 CB LEU A 31 -7.786 -7.886 7.551 1.00 0.39 C ATOM 500 CG LEU A 31 -8.825 -8.943 7.222 1.00 0.53 C ATOM 501 CD1 LEU A 31 -10.004 -8.940 8.201 1.00 0.60 C ATOM 502 CD2 LEU A 31 -9.338 -8.770 5.788 1.00 0.56 C ATOM 0 H LEU A 31 -5.618 -7.019 7.942 1.00 0.48 H new ATOM 0 HA LEU A 31 -7.776 -7.741 9.657 1.00 0.52 H new ATOM 0 HB2 LEU A 31 -8.265 -6.907 7.562 1.00 0.39 H new ATOM 0 HB3 LEU A 31 -7.036 -7.865 6.761 1.00 0.39 H new ATOM 0 HG LEU A 31 -8.326 -9.907 7.317 1.00 0.53 H new ATOM 0 HD11 LEU A 31 -10.715 -9.716 7.917 1.00 0.60 H new ATOM 0 HD12 LEU A 31 -9.640 -9.134 9.210 1.00 0.60 H new ATOM 0 HD13 LEU A 31 -10.497 -7.968 8.174 1.00 0.60 H new ATOM 0 HD21 LEU A 31 -10.082 -9.537 5.573 1.00 0.56 H new ATOM 0 HD22 LEU A 31 -9.792 -7.785 5.680 1.00 0.56 H new ATOM 0 HD23 LEU A 31 -8.506 -8.865 5.090 1.00 0.56 H new ATOM 514 N LEU A 32 -5.955 -10.288 8.599 1.00 0.69 N ATOM 515 CA LEU A 32 -5.670 -11.696 8.866 1.00 0.87 C ATOM 516 C LEU A 32 -5.107 -11.905 10.276 1.00 0.97 C ATOM 517 O LEU A 32 -5.413 -12.896 10.934 1.00 1.14 O ATOM 518 CB LEU A 32 -4.709 -12.247 7.804 1.00 0.94 C ATOM 519 CG LEU A 32 -5.327 -12.295 6.394 1.00 1.03 C ATOM 520 CD1 LEU A 32 -4.222 -12.589 5.373 1.00 1.49 C ATOM 521 CD2 LEU A 32 -6.419 -13.367 6.278 1.00 1.91 C ATOM 0 H LEU A 32 -5.420 -9.899 7.823 1.00 0.69 H new ATOM 0 HA LEU A 32 -6.609 -12.247 8.813 1.00 0.87 H new ATOM 0 HB2 LEU A 32 -3.811 -11.629 7.780 1.00 0.94 H new ATOM 0 HB3 LEU A 32 -4.397 -13.251 8.091 1.00 0.94 H new ATOM 0 HG LEU A 32 -5.789 -11.327 6.198 1.00 1.03 H new ATOM 0 HD11 LEU A 32 -4.652 -12.625 4.372 1.00 1.49 H new ATOM 0 HD12 LEU A 32 -3.468 -11.803 5.416 1.00 1.49 H new ATOM 0 HD13 LEU A 32 -3.759 -13.549 5.604 1.00 1.49 H new ATOM 0 HD21 LEU A 32 -6.826 -13.364 5.267 1.00 1.91 H new ATOM 0 HD22 LEU A 32 -5.992 -14.346 6.495 1.00 1.91 H new ATOM 0 HD23 LEU A 32 -7.216 -13.153 6.990 1.00 1.91 H new ATOM 533 N MET A 33 -4.269 -10.978 10.746 1.00 0.95 N ATOM 534 CA MET A 33 -3.761 -10.985 12.110 1.00 1.15 C ATOM 535 C MET A 33 -4.922 -10.881 13.106 1.00 1.10 C ATOM 536 O MET A 33 -4.855 -11.460 14.188 1.00 1.32 O ATOM 537 CB MET A 33 -2.746 -9.845 12.277 1.00 1.31 C ATOM 538 CG MET A 33 -1.995 -9.917 13.612 1.00 2.18 C ATOM 539 SD MET A 33 -0.816 -8.573 13.921 1.00 3.22 S ATOM 540 CE MET A 33 0.317 -8.747 12.525 1.00 3.18 C ATOM 0 H MET A 33 -3.925 -10.199 10.184 1.00 0.95 H new ATOM 0 HA MET A 33 -3.248 -11.924 12.316 1.00 1.15 H new ATOM 0 HB2 MET A 33 -2.028 -9.880 11.458 1.00 1.31 H new ATOM 0 HB3 MET A 33 -3.264 -8.889 12.207 1.00 1.31 H new ATOM 0 HG2 MET A 33 -2.727 -9.927 14.420 1.00 2.18 H new ATOM 0 HG3 MET A 33 -1.458 -10.865 13.656 1.00 2.18 H new ATOM 0 HE1 MET A 33 1.186 -8.107 12.679 1.00 3.18 H new ATOM 0 HE2 MET A 33 0.640 -9.785 12.446 1.00 3.18 H new ATOM 0 HE3 MET A 33 -0.190 -8.454 11.606 1.00 3.18 H new ATOM 550 N GLY A 34 -5.974 -10.141 12.747 1.00 0.89 N ATOM 551 CA GLY A 34 -7.199 -10.082 13.519 1.00 0.82 C ATOM 552 C GLY A 34 -7.959 -11.406 13.441 1.00 2.06 C ATOM 553 O GLY A 34 -8.141 -12.070 14.461 1.00 2.90 O ATOM 0 H GLY A 34 -5.991 -9.565 11.905 1.00 0.89 H new ATOM 0 HA2 GLY A 34 -6.967 -9.852 14.559 1.00 0.82 H new ATOM 0 HA3 GLY A 34 -7.829 -9.274 13.147 1.00 0.82 H new ATOM 557 N LEU A 35 -8.457 -11.760 12.253 1.00 3.19 N ATOM 558 CA LEU A 35 -9.373 -12.841 12.019 1.00 5.23 C ATOM 559 C LEU A 35 -9.187 -13.393 10.607 1.00 6.40 C ATOM 560 O LEU A 35 -9.514 -14.558 10.391 1.00 7.70 O ATOM 561 CB LEU A 35 -10.765 -12.253 12.223 1.00 5.95 C ATOM 562 CG LEU A 35 -11.238 -11.201 11.200 1.00 6.28 C ATOM 563 CD1 LEU A 35 -12.069 -11.834 10.075 1.00 7.77 C ATOM 564 CD2 LEU A 35 -12.108 -10.154 11.906 1.00 6.59 C ATOM 565 OXT LEU A 35 -8.870 -12.605 9.717 1.00 6.49 O ATOM 0 H LEU A 35 -8.210 -11.265 11.396 1.00 3.19 H new ATOM 0 HA LEU A 35 -9.208 -13.679 12.696 1.00 5.23 H new ATOM 0 HB2 LEU A 35 -11.483 -13.073 12.221 1.00 5.95 H new ATOM 0 HB3 LEU A 35 -10.800 -11.801 13.214 1.00 5.95 H new ATOM 0 HG LEU A 35 -10.349 -10.744 10.766 1.00 6.28 H new ATOM 0 HD11 LEU A 35 -12.383 -11.060 9.375 1.00 7.77 H new ATOM 0 HD12 LEU A 35 -11.466 -12.575 9.550 1.00 7.77 H new ATOM 0 HD13 LEU A 35 -12.949 -12.317 10.500 1.00 7.77 H new ATOM 0 HD21 LEU A 35 -12.442 -9.411 11.182 1.00 6.59 H new ATOM 0 HD22 LEU A 35 -12.975 -10.642 12.351 1.00 6.59 H new ATOM 0 HD23 LEU A 35 -11.526 -9.664 12.687 1.00 6.59 H new TER 577 LEU A 35