USER MOD reduce.3.24.130724 H: found=0, std=0, add=318, rem=0, adj=3 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+ 155:sc= 0.104 (180deg=0.0013) USER MOD Single : A 5 CYS SG : rot 180:sc= -0.0549 USER MOD Single : A 6 CYS SG : rot 180:sc= -0.123 USER MOD Single : A 9 ASN : amide:sc= 1.57 K(o=1.6,f=-8.1!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 6.074 0.831 -22.841 1.00 21.71 N ATOM 2 CA LEU A 1 4.879 0.832 -23.704 1.00 21.49 C ATOM 3 C LEU A 1 4.032 2.020 -23.254 1.00 20.61 C ATOM 4 O LEU A 1 3.942 2.217 -22.046 1.00 20.71 O ATOM 5 CB LEU A 1 4.146 -0.516 -23.561 1.00 22.64 C ATOM 6 CG LEU A 1 3.047 -0.852 -24.588 1.00 23.55 C ATOM 7 CD1 LEU A 1 1.728 -0.112 -24.350 1.00 23.72 C ATOM 8 CD2 LEU A 1 3.513 -0.672 -26.037 1.00 23.41 C ATOM 0 H1 LEU A 1 6.464 -0.132 -22.789 1.00 21.71 H new ATOM 0 H2 LEU A 1 6.789 1.473 -23.238 1.00 21.71 H new ATOM 0 H3 LEU A 1 5.813 1.151 -21.886 1.00 21.71 H new ATOM 0 HA LEU A 1 5.118 0.938 -24.762 1.00 21.49 H new ATOM 0 HB2 LEU A 1 4.893 -1.309 -23.600 1.00 22.64 H new ATOM 0 HB3 LEU A 1 3.697 -0.549 -22.568 1.00 22.64 H new ATOM 0 HG LEU A 1 2.846 -1.911 -24.428 1.00 23.55 H new ATOM 0 HD11 LEU A 1 1.006 -0.401 -25.113 1.00 23.72 H new ATOM 0 HD12 LEU A 1 1.339 -0.370 -23.365 1.00 23.72 H new ATOM 0 HD13 LEU A 1 1.900 0.963 -24.402 1.00 23.72 H new ATOM 0 HD21 LEU A 1 2.698 -0.923 -26.715 1.00 23.41 H new ATOM 0 HD22 LEU A 1 3.812 0.364 -26.197 1.00 23.41 H new ATOM 0 HD23 LEU A 1 4.361 -1.329 -26.231 1.00 23.41 H new ATOM 22 N ARG A 2 3.509 2.830 -24.184 1.00 19.96 N ATOM 23 CA ARG A 2 2.820 4.097 -23.918 1.00 19.22 C ATOM 24 C ARG A 2 3.485 4.917 -22.803 1.00 17.39 C ATOM 25 O ARG A 2 2.834 5.383 -21.872 1.00 16.93 O ATOM 26 CB ARG A 2 1.304 3.891 -23.736 1.00 20.51 C ATOM 27 CG ARG A 2 0.887 3.058 -22.512 1.00 21.46 C ATOM 28 CD ARG A 2 -0.637 2.894 -22.490 1.00 22.86 C ATOM 29 NE ARG A 2 -1.074 2.117 -21.318 1.00 23.79 N ATOM 30 CZ ARG A 2 -2.348 1.785 -21.048 1.00 25.01 C ATOM 31 NH1 ARG A 2 -3.323 2.157 -21.884 1.00 25.45 N ATOM 32 NH2 ARG A 2 -2.641 1.085 -19.946 1.00 25.93 N ATOM 0 H ARG A 2 3.557 2.611 -25.179 1.00 19.96 H new ATOM 0 HA ARG A 2 2.929 4.719 -24.807 1.00 19.22 H new ATOM 0 HB2 ARG A 2 0.829 4.869 -23.666 1.00 20.51 H new ATOM 0 HB3 ARG A 2 0.911 3.409 -24.631 1.00 20.51 H new ATOM 0 HG2 ARG A 2 1.367 2.080 -22.546 1.00 21.46 H new ATOM 0 HG3 ARG A 2 1.223 3.546 -21.597 1.00 21.46 H new ATOM 0 HD2 ARG A 2 -1.110 3.876 -22.475 1.00 22.86 H new ATOM 0 HD3 ARG A 2 -0.965 2.396 -23.402 1.00 22.86 H new ATOM 0 HE ARG A 2 -0.356 1.808 -20.662 1.00 23.79 H new ATOM 0 HH11 ARG A 2 -3.099 2.691 -22.724 1.00 25.45 H new ATOM 0 HH12 ARG A 2 -4.291 1.907 -21.682 1.00 25.45 H new ATOM 0 HH21 ARG A 2 -1.897 0.802 -19.309 1.00 25.93 H new ATOM 0 HH22 ARG A 2 -3.609 0.834 -19.743 1.00 25.93 H new ATOM 46 N ILE A 3 4.803 5.098 -22.908 1.00 16.52 N ATOM 47 CA ILE A 3 5.606 5.818 -21.956 1.00 14.91 C ATOM 48 C ILE A 3 5.502 7.308 -22.322 1.00 13.32 C ATOM 49 O ILE A 3 5.699 7.645 -23.488 1.00 13.43 O ATOM 50 CB ILE A 3 7.024 5.204 -21.991 1.00 15.36 C ATOM 51 CG1 ILE A 3 8.068 6.092 -21.315 1.00 15.06 C ATOM 52 CG2 ILE A 3 7.520 4.727 -23.370 1.00 15.93 C ATOM 53 CD1 ILE A 3 8.788 7.053 -22.266 1.00 14.81 C ATOM 0 H ILE A 3 5.345 4.729 -23.689 1.00 16.52 H new ATOM 0 HA ILE A 3 5.278 5.738 -20.920 1.00 14.91 H new ATOM 0 HB ILE A 3 6.905 4.293 -21.405 1.00 15.36 H new ATOM 0 HG12 ILE A 3 7.582 6.672 -20.530 1.00 15.06 H new ATOM 0 HG13 ILE A 3 8.809 5.457 -20.829 1.00 15.06 H new ATOM 0 HG21 ILE A 3 8.525 4.315 -23.273 1.00 15.93 H new ATOM 0 HG22 ILE A 3 6.848 3.958 -23.752 1.00 15.93 H new ATOM 0 HG23 ILE A 3 7.538 5.569 -24.061 1.00 15.93 H new ATOM 0 HD11 ILE A 3 9.511 7.646 -21.706 1.00 14.81 H new ATOM 0 HD12 ILE A 3 9.306 6.482 -23.037 1.00 14.81 H new ATOM 0 HD13 ILE A 3 8.060 7.716 -22.733 1.00 14.81 H new ATOM 65 N PRO A 4 5.150 8.199 -21.378 1.00 12.19 N ATOM 66 CA PRO A 4 4.912 9.607 -21.675 1.00 10.99 C ATOM 67 C PRO A 4 6.212 10.400 -21.849 1.00 9.67 C ATOM 68 O PRO A 4 6.198 11.465 -22.455 1.00 9.41 O ATOM 69 CB PRO A 4 4.096 10.135 -20.491 1.00 10.85 C ATOM 70 CG PRO A 4 4.557 9.258 -19.328 1.00 11.30 C ATOM 71 CD PRO A 4 4.785 7.903 -20.000 1.00 12.52 C ATOM 0 HA PRO A 4 4.386 9.720 -22.623 1.00 10.99 H new ATOM 0 HB2 PRO A 4 4.296 11.190 -20.303 1.00 10.85 H new ATOM 0 HB3 PRO A 4 3.024 10.040 -20.667 1.00 10.85 H new ATOM 0 HG2 PRO A 4 5.468 9.641 -18.868 1.00 11.30 H new ATOM 0 HG3 PRO A 4 3.804 9.199 -18.542 1.00 11.30 H new ATOM 0 HD2 PRO A 4 5.575 7.346 -19.497 1.00 12.52 H new ATOM 0 HD3 PRO A 4 3.885 7.289 -19.957 1.00 12.52 H new ATOM 79 N CYS A 5 7.323 9.912 -21.284 1.00 9.30 N ATOM 80 CA CYS A 5 8.620 10.586 -21.312 1.00 8.52 C ATOM 81 C CYS A 5 8.556 11.908 -20.545 1.00 7.01 C ATOM 82 O CYS A 5 9.109 12.927 -20.949 1.00 7.04 O ATOM 83 CB CYS A 5 9.143 10.749 -22.746 1.00 9.88 C ATOM 84 SG CYS A 5 10.924 11.059 -22.682 1.00 10.23 S ATOM 0 H CYS A 5 7.343 9.022 -20.787 1.00 9.30 H new ATOM 0 HA CYS A 5 9.348 9.956 -20.800 1.00 8.52 H new ATOM 0 HB2 CYS A 5 8.936 9.851 -23.328 1.00 9.88 H new ATOM 0 HB3 CYS A 5 8.633 11.575 -23.243 1.00 9.88 H new ATOM 0 HG CYS A 5 11.384 11.198 -23.890 1.00 10.23 H new ATOM 90 N CYS A 6 7.873 11.876 -19.398 1.00 6.19 N ATOM 91 CA CYS A 6 7.746 13.018 -18.500 1.00 5.10 C ATOM 92 C CYS A 6 7.643 12.527 -17.052 1.00 4.05 C ATOM 93 O CYS A 6 6.580 12.621 -16.436 1.00 3.97 O ATOM 94 CB CYS A 6 6.539 13.866 -18.921 1.00 6.01 C ATOM 95 SG CYS A 6 6.413 15.293 -17.818 1.00 5.87 S ATOM 0 H CYS A 6 7.387 11.043 -19.066 1.00 6.19 H new ATOM 0 HA CYS A 6 8.630 13.653 -18.563 1.00 5.10 H new ATOM 0 HB2 CYS A 6 6.652 14.196 -19.954 1.00 6.01 H new ATOM 0 HB3 CYS A 6 5.626 13.272 -18.875 1.00 6.01 H new ATOM 0 HG CYS A 6 5.394 16.022 -18.166 1.00 5.87 H new ATOM 101 N PRO A 7 8.728 11.972 -16.485 1.00 3.55 N ATOM 102 CA PRO A 7 8.727 11.403 -15.143 1.00 2.92 C ATOM 103 C PRO A 7 8.816 12.516 -14.091 1.00 2.31 C ATOM 104 O PRO A 7 9.760 12.567 -13.305 1.00 2.31 O ATOM 105 CB PRO A 7 9.941 10.467 -15.126 1.00 3.35 C ATOM 106 CG PRO A 7 10.932 11.190 -16.039 1.00 3.76 C ATOM 107 CD PRO A 7 10.023 11.775 -17.122 1.00 4.02 C ATOM 0 HA PRO A 7 7.813 10.860 -14.902 1.00 2.92 H new ATOM 0 HB2 PRO A 7 10.338 10.336 -14.119 1.00 3.35 H new ATOM 0 HB3 PRO A 7 9.693 9.474 -15.502 1.00 3.35 H new ATOM 0 HG2 PRO A 7 11.481 11.967 -15.507 1.00 3.76 H new ATOM 0 HG3 PRO A 7 11.672 10.507 -16.456 1.00 3.76 H new ATOM 0 HD2 PRO A 7 10.421 12.717 -17.500 1.00 4.02 H new ATOM 0 HD3 PRO A 7 9.942 11.098 -17.973 1.00 4.02 H new ATOM 115 N VAL A 8 7.823 13.410 -14.085 1.00 2.49 N ATOM 116 CA VAL A 8 7.741 14.539 -13.167 1.00 2.27 C ATOM 117 C VAL A 8 7.062 14.069 -11.880 1.00 1.59 C ATOM 118 O VAL A 8 7.352 12.983 -11.384 1.00 2.35 O ATOM 119 CB VAL A 8 7.086 15.736 -13.900 1.00 3.35 C ATOM 120 CG1 VAL A 8 5.602 15.567 -14.275 1.00 4.87 C ATOM 121 CG2 VAL A 8 7.367 17.098 -13.245 1.00 3.51 C ATOM 0 H VAL A 8 7.038 13.364 -14.735 1.00 2.49 H new ATOM 0 HA VAL A 8 8.716 14.911 -12.852 1.00 2.27 H new ATOM 0 HB VAL A 8 7.608 15.731 -14.857 1.00 3.35 H new ATOM 0 HG11 VAL A 8 5.250 16.465 -14.783 1.00 4.87 H new ATOM 0 HG12 VAL A 8 5.490 14.708 -14.937 1.00 4.87 H new ATOM 0 HG13 VAL A 8 5.014 15.407 -13.371 1.00 4.87 H new ATOM 0 HG21 VAL A 8 6.875 17.885 -13.816 1.00 3.51 H new ATOM 0 HG22 VAL A 8 6.984 17.097 -12.224 1.00 3.51 H new ATOM 0 HG23 VAL A 8 8.442 17.279 -13.229 1.00 3.51 H new ATOM 131 N ASN A 9 6.107 14.833 -11.353 1.00 1.41 N ATOM 132 CA ASN A 9 5.331 14.436 -10.183 1.00 0.99 C ATOM 133 C ASN A 9 4.684 13.059 -10.363 1.00 0.73 C ATOM 134 O ASN A 9 4.475 12.353 -9.383 1.00 0.97 O ATOM 135 CB ASN A 9 4.270 15.486 -9.846 1.00 1.09 C ATOM 136 CG ASN A 9 3.569 15.128 -8.537 1.00 2.54 C ATOM 137 OD1 ASN A 9 4.163 15.239 -7.465 1.00 3.59 O ATOM 138 ND2 ASN A 9 2.312 14.700 -8.600 1.00 3.56 N ATOM 0 H ASN A 9 5.850 15.746 -11.727 1.00 1.41 H new ATOM 0 HA ASN A 9 6.028 14.365 -9.348 1.00 0.99 H new ATOM 0 HB2 ASN A 9 4.735 16.468 -9.761 1.00 1.09 H new ATOM 0 HB3 ASN A 9 3.540 15.547 -10.653 1.00 1.09 H new ATOM 0 HD21 ASN A 9 1.814 14.453 -7.745 1.00 3.56 H new ATOM 0 HD22 ASN A 9 1.846 14.618 -9.504 1.00 3.56 H new ATOM 145 N LEU A 10 4.418 12.647 -11.607 1.00 0.70 N ATOM 146 CA LEU A 10 3.902 11.322 -11.930 1.00 0.72 C ATOM 147 C LEU A 10 4.798 10.236 -11.326 1.00 0.62 C ATOM 148 O LEU A 10 4.313 9.207 -10.865 1.00 0.59 O ATOM 149 CB LEU A 10 3.822 11.148 -13.453 1.00 1.09 C ATOM 150 CG LEU A 10 2.924 12.174 -14.165 1.00 1.87 C ATOM 151 CD1 LEU A 10 2.951 11.893 -15.672 1.00 2.81 C ATOM 152 CD2 LEU A 10 1.474 12.116 -13.667 1.00 3.07 C ATOM 0 H LEU A 10 4.559 13.237 -12.427 1.00 0.70 H new ATOM 0 HA LEU A 10 2.903 11.225 -11.506 1.00 0.72 H new ATOM 0 HB2 LEU A 10 4.828 11.215 -13.867 1.00 1.09 H new ATOM 0 HB3 LEU A 10 3.453 10.146 -13.673 1.00 1.09 H new ATOM 0 HG LEU A 10 3.309 13.170 -13.946 1.00 1.87 H new ATOM 0 HD11 LEU A 10 2.318 12.614 -16.188 1.00 2.81 H new ATOM 0 HD12 LEU A 10 3.973 11.979 -16.040 1.00 2.81 H new ATOM 0 HD13 LEU A 10 2.581 10.885 -15.861 1.00 2.81 H new ATOM 0 HD21 LEU A 10 0.877 12.858 -14.198 1.00 3.07 H new ATOM 0 HD22 LEU A 10 1.066 11.122 -13.851 1.00 3.07 H new ATOM 0 HD23 LEU A 10 1.448 12.327 -12.598 1.00 3.07 H new ATOM 164 N LYS A 11 6.110 10.483 -11.285 1.00 0.64 N ATOM 165 CA LYS A 11 7.064 9.605 -10.629 1.00 0.60 C ATOM 166 C LYS A 11 6.687 9.437 -9.151 1.00 0.44 C ATOM 167 O LYS A 11 6.598 8.321 -8.641 1.00 0.47 O ATOM 168 CB LYS A 11 8.474 10.188 -10.810 1.00 0.73 C ATOM 169 CG LYS A 11 9.583 9.182 -10.482 1.00 1.43 C ATOM 170 CD LYS A 11 10.948 9.861 -10.682 1.00 2.39 C ATOM 171 CE LYS A 11 12.124 8.873 -10.641 1.00 2.81 C ATOM 172 NZ LYS A 11 12.264 8.202 -9.331 1.00 3.11 N ATOM 0 H LYS A 11 6.536 11.306 -11.711 1.00 0.64 H new ATOM 0 HA LYS A 11 7.046 8.611 -11.077 1.00 0.60 H new ATOM 0 HB2 LYS A 11 8.592 10.528 -11.839 1.00 0.73 H new ATOM 0 HB3 LYS A 11 8.584 11.064 -10.170 1.00 0.73 H new ATOM 0 HG2 LYS A 11 9.483 8.833 -9.454 1.00 1.43 H new ATOM 0 HG3 LYS A 11 9.500 8.306 -11.126 1.00 1.43 H new ATOM 0 HD2 LYS A 11 10.951 10.381 -11.640 1.00 2.39 H new ATOM 0 HD3 LYS A 11 11.088 10.616 -9.909 1.00 2.39 H new ATOM 0 HE2 LYS A 11 11.987 8.120 -11.417 1.00 2.81 H new ATOM 0 HE3 LYS A 11 13.047 9.404 -10.872 1.00 2.81 H new ATOM 0 HZ1 LYS A 11 13.072 7.548 -9.361 1.00 3.11 H new ATOM 0 HZ2 LYS A 11 12.423 8.915 -8.591 1.00 3.11 H new ATOM 0 HZ3 LYS A 11 11.396 7.670 -9.119 1.00 3.11 H new ATOM 186 N ARG A 12 6.448 10.549 -8.453 1.00 0.39 N ATOM 187 CA ARG A 12 6.081 10.537 -7.059 1.00 0.38 C ATOM 188 C ARG A 12 4.664 9.989 -6.875 1.00 0.30 C ATOM 189 O ARG A 12 4.364 9.362 -5.863 1.00 0.37 O ATOM 190 CB ARG A 12 6.242 11.975 -6.556 1.00 0.64 C ATOM 191 CG ARG A 12 5.734 12.114 -5.130 1.00 1.69 C ATOM 192 CD ARG A 12 6.191 13.432 -4.497 1.00 2.13 C ATOM 193 NE ARG A 12 5.723 14.596 -5.269 1.00 2.95 N ATOM 194 CZ ARG A 12 6.118 15.862 -5.076 1.00 4.25 C ATOM 195 NH1 ARG A 12 6.991 16.155 -4.106 1.00 4.77 N ATOM 196 NH2 ARG A 12 5.629 16.818 -5.868 1.00 5.77 N ATOM 0 H ARG A 12 6.508 11.485 -8.854 1.00 0.39 H new ATOM 0 HA ARG A 12 6.719 9.874 -6.475 1.00 0.38 H new ATOM 0 HB2 ARG A 12 7.292 12.264 -6.602 1.00 0.64 H new ATOM 0 HB3 ARG A 12 5.695 12.656 -7.209 1.00 0.64 H new ATOM 0 HG2 ARG A 12 4.645 12.065 -5.124 1.00 1.69 H new ATOM 0 HG3 ARG A 12 6.094 11.277 -4.531 1.00 1.69 H new ATOM 0 HD2 ARG A 12 5.814 13.496 -3.476 1.00 2.13 H new ATOM 0 HD3 ARG A 12 7.279 13.449 -4.436 1.00 2.13 H new ATOM 0 HE ARG A 12 5.044 14.425 -6.010 1.00 2.95 H new ATOM 0 HH11 ARG A 12 7.359 15.414 -3.510 1.00 4.77 H new ATOM 0 HH12 ARG A 12 7.289 17.120 -3.962 1.00 4.77 H new ATOM 0 HH21 ARG A 12 4.966 16.580 -6.606 1.00 5.77 H new ATOM 0 HH22 ARG A 12 5.918 17.787 -5.736 1.00 5.77 H new ATOM 210 N LEU A 13 3.822 10.129 -7.893 1.00 0.24 N ATOM 211 CA LEU A 13 2.504 9.520 -7.926 1.00 0.29 C ATOM 212 C LEU A 13 2.682 8.000 -7.916 1.00 0.26 C ATOM 213 O LEU A 13 2.073 7.309 -7.108 1.00 0.33 O ATOM 214 CB LEU A 13 1.702 10.038 -9.125 1.00 0.36 C ATOM 215 CG LEU A 13 0.183 10.118 -8.895 1.00 0.97 C ATOM 216 CD1 LEU A 13 -0.478 10.668 -10.164 1.00 1.97 C ATOM 217 CD2 LEU A 13 -0.439 8.763 -8.548 1.00 1.73 C ATOM 0 H LEU A 13 4.041 10.675 -8.726 1.00 0.24 H new ATOM 0 HA LEU A 13 1.920 9.795 -7.048 1.00 0.29 H new ATOM 0 HB2 LEU A 13 2.069 11.030 -9.389 1.00 0.36 H new ATOM 0 HB3 LEU A 13 1.893 9.390 -9.980 1.00 0.36 H new ATOM 0 HG LEU A 13 0.013 10.775 -8.042 1.00 0.97 H new ATOM 0 HD11 LEU A 13 -1.556 10.730 -10.015 1.00 1.97 H new ATOM 0 HD12 LEU A 13 -0.083 11.661 -10.379 1.00 1.97 H new ATOM 0 HD13 LEU A 13 -0.265 10.004 -11.002 1.00 1.97 H new ATOM 0 HD21 LEU A 13 -1.512 8.883 -8.397 1.00 1.73 H new ATOM 0 HD22 LEU A 13 -0.264 8.062 -9.364 1.00 1.73 H new ATOM 0 HD23 LEU A 13 0.015 8.377 -7.635 1.00 1.73 H new ATOM 229 N LEU A 14 3.571 7.474 -8.764 1.00 0.24 N ATOM 230 CA LEU A 14 3.906 6.060 -8.762 1.00 0.29 C ATOM 231 C LEU A 14 4.373 5.600 -7.381 1.00 0.24 C ATOM 232 O LEU A 14 3.909 4.580 -6.874 1.00 0.28 O ATOM 233 CB LEU A 14 4.955 5.754 -9.842 1.00 0.35 C ATOM 234 CG LEU A 14 4.935 4.285 -10.296 1.00 0.52 C ATOM 235 CD1 LEU A 14 3.714 3.960 -11.167 1.00 2.00 C ATOM 236 CD2 LEU A 14 6.210 3.990 -11.094 1.00 1.73 C ATOM 0 H LEU A 14 4.073 8.019 -9.465 1.00 0.24 H new ATOM 0 HA LEU A 14 3.003 5.497 -8.999 1.00 0.29 H new ATOM 0 HB2 LEU A 14 4.780 6.398 -10.704 1.00 0.35 H new ATOM 0 HB3 LEU A 14 5.946 5.997 -9.458 1.00 0.35 H new ATOM 0 HG LEU A 14 4.880 3.664 -9.402 1.00 0.52 H new ATOM 0 HD11 LEU A 14 3.746 2.911 -11.462 1.00 2.00 H new ATOM 0 HD12 LEU A 14 2.802 4.150 -10.601 1.00 2.00 H new ATOM 0 HD13 LEU A 14 3.725 4.588 -12.058 1.00 2.00 H new ATOM 0 HD21 LEU A 14 6.203 2.950 -11.419 1.00 1.73 H new ATOM 0 HD22 LEU A 14 6.253 4.643 -11.966 1.00 1.73 H new ATOM 0 HD23 LEU A 14 7.082 4.167 -10.465 1.00 1.73 H new ATOM 248 N VAL A 15 5.258 6.374 -6.749 1.00 0.17 N ATOM 249 CA VAL A 15 5.676 6.081 -5.379 1.00 0.19 C ATOM 250 C VAL A 15 4.450 6.014 -4.457 1.00 0.22 C ATOM 251 O VAL A 15 4.292 5.049 -3.712 1.00 0.23 O ATOM 252 CB VAL A 15 6.741 7.079 -4.886 1.00 0.25 C ATOM 253 CG1 VAL A 15 7.099 6.830 -3.414 1.00 0.37 C ATOM 254 CG2 VAL A 15 8.024 6.954 -5.717 1.00 0.31 C ATOM 0 H VAL A 15 5.694 7.199 -7.160 1.00 0.17 H new ATOM 0 HA VAL A 15 6.154 5.102 -5.359 1.00 0.19 H new ATOM 0 HB VAL A 15 6.317 8.077 -4.995 1.00 0.25 H new ATOM 0 HG11 VAL A 15 7.853 7.550 -3.096 1.00 0.37 H new ATOM 0 HG12 VAL A 15 6.207 6.943 -2.798 1.00 0.37 H new ATOM 0 HG13 VAL A 15 7.492 5.820 -3.301 1.00 0.37 H new ATOM 0 HG21 VAL A 15 8.764 7.667 -5.353 1.00 0.31 H new ATOM 0 HG22 VAL A 15 8.419 5.942 -5.626 1.00 0.31 H new ATOM 0 HG23 VAL A 15 7.802 7.164 -6.763 1.00 0.31 H new ATOM 264 N VAL A 16 3.563 7.011 -4.515 1.00 0.27 N ATOM 265 CA VAL A 16 2.343 7.007 -3.717 1.00 0.35 C ATOM 266 C VAL A 16 1.535 5.736 -3.993 1.00 0.38 C ATOM 267 O VAL A 16 1.112 5.078 -3.048 1.00 0.42 O ATOM 268 CB VAL A 16 1.540 8.305 -3.928 1.00 0.42 C ATOM 269 CG1 VAL A 16 0.129 8.212 -3.331 1.00 0.53 C ATOM 270 CG2 VAL A 16 2.265 9.483 -3.262 1.00 0.47 C ATOM 0 H VAL A 16 3.672 7.832 -5.110 1.00 0.27 H new ATOM 0 HA VAL A 16 2.603 6.989 -2.659 1.00 0.35 H new ATOM 0 HB VAL A 16 1.457 8.457 -5.004 1.00 0.42 H new ATOM 0 HG11 VAL A 16 -0.401 9.149 -3.503 1.00 0.53 H new ATOM 0 HG12 VAL A 16 -0.414 7.395 -3.806 1.00 0.53 H new ATOM 0 HG13 VAL A 16 0.199 8.026 -2.259 1.00 0.53 H new ATOM 0 HG21 VAL A 16 1.691 10.397 -3.415 1.00 0.47 H new ATOM 0 HG22 VAL A 16 2.364 9.292 -2.193 1.00 0.47 H new ATOM 0 HG23 VAL A 16 3.255 9.598 -3.704 1.00 0.47 H new ATOM 280 N VAL A 17 1.344 5.353 -5.259 1.00 0.39 N ATOM 281 CA VAL A 17 0.657 4.124 -5.612 1.00 0.44 C ATOM 282 C VAL A 17 1.319 2.932 -4.911 1.00 0.40 C ATOM 283 O VAL A 17 0.638 2.147 -4.254 1.00 0.43 O ATOM 284 CB VAL A 17 0.581 3.971 -7.142 1.00 0.47 C ATOM 285 CG1 VAL A 17 0.076 2.582 -7.541 1.00 0.55 C ATOM 286 CG2 VAL A 17 -0.371 5.014 -7.740 1.00 0.53 C ATOM 0 H VAL A 17 1.665 5.892 -6.063 1.00 0.39 H new ATOM 0 HA VAL A 17 -0.374 4.160 -5.259 1.00 0.44 H new ATOM 0 HB VAL A 17 1.591 4.114 -7.527 1.00 0.47 H new ATOM 0 HG11 VAL A 17 0.035 2.508 -8.628 1.00 0.55 H new ATOM 0 HG12 VAL A 17 0.754 1.823 -7.151 1.00 0.55 H new ATOM 0 HG13 VAL A 17 -0.921 2.425 -7.128 1.00 0.55 H new ATOM 0 HG21 VAL A 17 -0.412 4.891 -8.822 1.00 0.53 H new ATOM 0 HG22 VAL A 17 -1.368 4.879 -7.321 1.00 0.53 H new ATOM 0 HG23 VAL A 17 -0.010 6.015 -7.502 1.00 0.53 H new ATOM 296 N VAL A 18 2.643 2.799 -5.016 1.00 0.34 N ATOM 297 CA VAL A 18 3.373 1.739 -4.339 1.00 0.32 C ATOM 298 C VAL A 18 3.098 1.766 -2.830 1.00 0.31 C ATOM 299 O VAL A 18 2.836 0.722 -2.233 1.00 0.32 O ATOM 300 CB VAL A 18 4.874 1.804 -4.682 1.00 0.30 C ATOM 301 CG1 VAL A 18 5.695 0.814 -3.842 1.00 0.32 C ATOM 302 CG2 VAL A 18 5.098 1.470 -6.164 1.00 0.34 C ATOM 0 H VAL A 18 3.231 3.421 -5.570 1.00 0.34 H new ATOM 0 HA VAL A 18 3.015 0.775 -4.700 1.00 0.32 H new ATOM 0 HB VAL A 18 5.204 2.819 -4.462 1.00 0.30 H new ATOM 0 HG11 VAL A 18 6.748 0.891 -4.114 1.00 0.32 H new ATOM 0 HG12 VAL A 18 5.576 1.048 -2.784 1.00 0.32 H new ATOM 0 HG13 VAL A 18 5.345 -0.201 -4.031 1.00 0.32 H new ATOM 0 HG21 VAL A 18 6.163 1.520 -6.391 1.00 0.34 H new ATOM 0 HG22 VAL A 18 4.730 0.465 -6.370 1.00 0.34 H new ATOM 0 HG23 VAL A 18 4.561 2.188 -6.784 1.00 0.34 H new ATOM 312 N VAL A 19 3.132 2.947 -2.205 1.00 0.30 N ATOM 313 CA VAL A 19 2.859 3.072 -0.780 1.00 0.30 C ATOM 314 C VAL A 19 1.444 2.572 -0.494 1.00 0.33 C ATOM 315 O VAL A 19 1.244 1.773 0.416 1.00 0.32 O ATOM 316 CB VAL A 19 3.101 4.514 -0.293 1.00 0.31 C ATOM 317 CG1 VAL A 19 2.613 4.717 1.148 1.00 0.35 C ATOM 318 CG2 VAL A 19 4.598 4.847 -0.341 1.00 0.29 C ATOM 0 H VAL A 19 3.347 3.829 -2.670 1.00 0.30 H new ATOM 0 HA VAL A 19 3.552 2.450 -0.214 1.00 0.30 H new ATOM 0 HB VAL A 19 2.539 5.172 -0.956 1.00 0.31 H new ATOM 0 HG11 VAL A 19 2.801 5.746 1.454 1.00 0.35 H new ATOM 0 HG12 VAL A 19 1.544 4.512 1.202 1.00 0.35 H new ATOM 0 HG13 VAL A 19 3.147 4.037 1.812 1.00 0.35 H new ATOM 0 HG21 VAL A 19 4.755 5.868 0.006 1.00 0.29 H new ATOM 0 HG22 VAL A 19 5.145 4.158 0.302 1.00 0.29 H new ATOM 0 HG23 VAL A 19 4.959 4.752 -1.365 1.00 0.29 H new ATOM 328 N VAL A 20 0.466 3.012 -1.286 1.00 0.39 N ATOM 329 CA VAL A 20 -0.917 2.583 -1.166 1.00 0.43 C ATOM 330 C VAL A 20 -1.007 1.055 -1.243 1.00 0.41 C ATOM 331 O VAL A 20 -1.630 0.432 -0.387 1.00 0.41 O ATOM 332 CB VAL A 20 -1.815 3.301 -2.192 1.00 0.50 C ATOM 333 CG1 VAL A 20 -3.219 2.683 -2.256 1.00 0.58 C ATOM 334 CG2 VAL A 20 -1.965 4.783 -1.822 1.00 0.53 C ATOM 0 H VAL A 20 0.620 3.685 -2.037 1.00 0.39 H new ATOM 0 HA VAL A 20 -1.298 2.872 -0.186 1.00 0.43 H new ATOM 0 HB VAL A 20 -1.333 3.192 -3.163 1.00 0.50 H new ATOM 0 HG11 VAL A 20 -3.819 3.219 -2.991 1.00 0.58 H new ATOM 0 HG12 VAL A 20 -3.142 1.635 -2.545 1.00 0.58 H new ATOM 0 HG13 VAL A 20 -3.694 2.756 -1.277 1.00 0.58 H new ATOM 0 HG21 VAL A 20 -2.602 5.278 -2.555 1.00 0.53 H new ATOM 0 HG22 VAL A 20 -2.416 4.867 -0.833 1.00 0.53 H new ATOM 0 HG23 VAL A 20 -0.984 5.257 -1.814 1.00 0.53 H new ATOM 344 N VAL A 21 -0.372 0.436 -2.241 1.00 0.41 N ATOM 345 CA VAL A 21 -0.342 -1.006 -2.391 1.00 0.40 C ATOM 346 C VAL A 21 0.246 -1.663 -1.138 1.00 0.33 C ATOM 347 O VAL A 21 -0.314 -2.630 -0.627 1.00 0.30 O ATOM 348 CB VAL A 21 0.451 -1.334 -3.663 1.00 0.43 C ATOM 349 CG1 VAL A 21 0.790 -2.819 -3.752 1.00 0.45 C ATOM 350 CG2 VAL A 21 -0.351 -0.947 -4.915 1.00 0.50 C ATOM 0 H VAL A 21 0.138 0.934 -2.971 1.00 0.41 H new ATOM 0 HA VAL A 21 -1.349 -1.409 -2.497 1.00 0.40 H new ATOM 0 HB VAL A 21 1.376 -0.759 -3.613 1.00 0.43 H new ATOM 0 HG11 VAL A 21 1.351 -3.010 -4.667 1.00 0.45 H new ATOM 0 HG12 VAL A 21 1.392 -3.107 -2.890 1.00 0.45 H new ATOM 0 HG13 VAL A 21 -0.131 -3.402 -3.763 1.00 0.45 H new ATOM 0 HG21 VAL A 21 0.228 -1.187 -5.807 1.00 0.50 H new ATOM 0 HG22 VAL A 21 -1.290 -1.501 -4.932 1.00 0.50 H new ATOM 0 HG23 VAL A 21 -0.561 0.122 -4.896 1.00 0.50 H new ATOM 360 N LEU A 22 1.365 -1.142 -0.629 1.00 0.31 N ATOM 361 CA LEU A 22 1.991 -1.635 0.583 1.00 0.27 C ATOM 362 C LEU A 22 1.000 -1.526 1.750 1.00 0.25 C ATOM 363 O LEU A 22 0.801 -2.489 2.486 1.00 0.22 O ATOM 364 CB LEU A 22 3.336 -0.897 0.752 1.00 0.27 C ATOM 365 CG LEU A 22 3.712 -0.512 2.182 1.00 0.28 C ATOM 366 CD1 LEU A 22 4.052 -1.738 3.040 1.00 0.30 C ATOM 367 CD2 LEU A 22 4.919 0.433 2.179 1.00 0.31 C ATOM 0 H LEU A 22 1.860 -0.359 -1.056 1.00 0.31 H new ATOM 0 HA LEU A 22 2.237 -2.696 0.542 1.00 0.27 H new ATOM 0 HB2 LEU A 22 4.127 -1.527 0.346 1.00 0.27 H new ATOM 0 HB3 LEU A 22 3.309 0.010 0.148 1.00 0.27 H new ATOM 0 HG LEU A 22 2.842 -0.017 2.614 1.00 0.28 H new ATOM 0 HD11 LEU A 22 4.313 -1.416 4.048 1.00 0.30 H new ATOM 0 HD12 LEU A 22 3.189 -2.402 3.084 1.00 0.30 H new ATOM 0 HD13 LEU A 22 4.896 -2.268 2.599 1.00 0.30 H new ATOM 0 HD21 LEU A 22 5.176 0.699 3.204 1.00 0.31 H new ATOM 0 HD22 LEU A 22 5.768 -0.063 1.709 1.00 0.31 H new ATOM 0 HD23 LEU A 22 4.673 1.336 1.621 1.00 0.31 H new ATOM 379 N VAL A 23 0.337 -0.381 1.910 1.00 0.28 N ATOM 380 CA VAL A 23 -0.620 -0.148 2.964 1.00 0.29 C ATOM 381 C VAL A 23 -1.786 -1.127 2.837 1.00 0.27 C ATOM 382 O VAL A 23 -2.236 -1.681 3.837 1.00 0.25 O ATOM 383 CB VAL A 23 -1.021 1.333 2.900 1.00 0.35 C ATOM 384 CG1 VAL A 23 -2.324 1.601 3.637 1.00 0.39 C ATOM 385 CG2 VAL A 23 0.091 2.208 3.496 1.00 0.36 C ATOM 0 H VAL A 23 0.461 0.421 1.291 1.00 0.28 H new ATOM 0 HA VAL A 23 -0.203 -0.335 3.953 1.00 0.29 H new ATOM 0 HB VAL A 23 -1.169 1.584 1.850 1.00 0.35 H new ATOM 0 HG11 VAL A 23 -2.571 2.660 3.567 1.00 0.39 H new ATOM 0 HG12 VAL A 23 -3.124 1.012 3.188 1.00 0.39 H new ATOM 0 HG13 VAL A 23 -2.213 1.323 4.685 1.00 0.39 H new ATOM 0 HG21 VAL A 23 -0.204 3.256 3.445 1.00 0.36 H new ATOM 0 HG22 VAL A 23 0.257 1.928 4.536 1.00 0.36 H new ATOM 0 HG23 VAL A 23 1.011 2.062 2.930 1.00 0.36 H new ATOM 395 N VAL A 24 -2.264 -1.388 1.621 1.00 0.30 N ATOM 396 CA VAL A 24 -3.283 -2.360 1.373 1.00 0.29 C ATOM 397 C VAL A 24 -2.786 -3.749 1.779 1.00 0.23 C ATOM 398 O VAL A 24 -3.487 -4.454 2.494 1.00 0.19 O ATOM 399 CB VAL A 24 -3.691 -2.206 -0.099 1.00 0.36 C ATOM 400 CG1 VAL A 24 -4.327 -3.470 -0.641 1.00 0.37 C ATOM 401 CG2 VAL A 24 -4.651 -1.021 -0.258 1.00 0.43 C ATOM 0 H VAL A 24 -1.937 -0.913 0.779 1.00 0.30 H new ATOM 0 HA VAL A 24 -4.179 -2.212 1.976 1.00 0.29 H new ATOM 0 HB VAL A 24 -2.786 -2.018 -0.676 1.00 0.36 H new ATOM 0 HG11 VAL A 24 -4.602 -3.320 -1.685 1.00 0.37 H new ATOM 0 HG12 VAL A 24 -3.618 -4.295 -0.567 1.00 0.37 H new ATOM 0 HG13 VAL A 24 -5.220 -3.706 -0.061 1.00 0.37 H new ATOM 0 HG21 VAL A 24 -4.934 -0.920 -1.306 1.00 0.43 H new ATOM 0 HG22 VAL A 24 -5.543 -1.192 0.344 1.00 0.43 H new ATOM 0 HG23 VAL A 24 -4.159 -0.107 0.074 1.00 0.43 H new ATOM 411 N VAL A 25 -1.575 -4.145 1.385 1.00 0.24 N ATOM 412 CA VAL A 25 -0.975 -5.381 1.839 1.00 0.21 C ATOM 413 C VAL A 25 -0.905 -5.438 3.365 1.00 0.16 C ATOM 414 O VAL A 25 -1.168 -6.486 3.951 1.00 0.16 O ATOM 415 CB VAL A 25 0.380 -5.579 1.137 1.00 0.25 C ATOM 416 CG1 VAL A 25 1.447 -6.238 2.012 1.00 0.24 C ATOM 417 CG2 VAL A 25 0.138 -6.442 -0.101 1.00 0.33 C ATOM 0 H VAL A 25 -0.990 -3.612 0.742 1.00 0.24 H new ATOM 0 HA VAL A 25 -1.603 -6.226 1.559 1.00 0.21 H new ATOM 0 HB VAL A 25 0.769 -4.591 0.888 1.00 0.25 H new ATOM 0 HG11 VAL A 25 2.371 -6.341 1.443 1.00 0.24 H new ATOM 0 HG12 VAL A 25 1.629 -5.620 2.891 1.00 0.24 H new ATOM 0 HG13 VAL A 25 1.102 -7.223 2.326 1.00 0.24 H new ATOM 0 HG21 VAL A 25 1.081 -6.602 -0.623 1.00 0.33 H new ATOM 0 HG22 VAL A 25 -0.277 -7.404 0.201 1.00 0.33 H new ATOM 0 HG23 VAL A 25 -0.563 -5.937 -0.765 1.00 0.33 H new ATOM 427 N VAL A 26 -0.579 -4.323 4.019 1.00 0.17 N ATOM 428 CA VAL A 26 -0.529 -4.267 5.472 1.00 0.19 C ATOM 429 C VAL A 26 -1.937 -4.510 6.013 1.00 0.18 C ATOM 430 O VAL A 26 -2.106 -5.315 6.923 1.00 0.22 O ATOM 431 CB VAL A 26 0.102 -2.950 5.951 1.00 0.24 C ATOM 432 CG1 VAL A 26 -0.312 -2.553 7.375 1.00 0.29 C ATOM 433 CG2 VAL A 26 1.629 -3.028 5.849 1.00 0.25 C ATOM 0 H VAL A 26 -0.345 -3.444 3.558 1.00 0.17 H new ATOM 0 HA VAL A 26 0.118 -5.050 5.867 1.00 0.19 H new ATOM 0 HB VAL A 26 -0.278 -2.170 5.291 1.00 0.24 H new ATOM 0 HG11 VAL A 26 0.171 -1.614 7.646 1.00 0.29 H new ATOM 0 HG12 VAL A 26 -1.394 -2.430 7.418 1.00 0.29 H new ATOM 0 HG13 VAL A 26 -0.007 -3.333 8.073 1.00 0.29 H new ATOM 0 HG21 VAL A 26 2.065 -2.089 6.191 1.00 0.25 H new ATOM 0 HG22 VAL A 26 1.994 -3.845 6.471 1.00 0.25 H new ATOM 0 HG23 VAL A 26 1.916 -3.205 4.812 1.00 0.25 H new ATOM 443 N ILE A 27 -2.951 -3.852 5.442 1.00 0.19 N ATOM 444 CA ILE A 27 -4.331 -4.018 5.854 1.00 0.21 C ATOM 445 C ILE A 27 -4.730 -5.487 5.667 1.00 0.17 C ATOM 446 O ILE A 27 -5.367 -6.081 6.533 1.00 0.20 O ATOM 447 CB ILE A 27 -5.216 -3.034 5.071 1.00 0.25 C ATOM 448 CG1 ILE A 27 -5.175 -1.666 5.775 1.00 0.35 C ATOM 449 CG2 ILE A 27 -6.675 -3.510 4.970 1.00 0.26 C ATOM 450 CD1 ILE A 27 -5.569 -0.517 4.840 1.00 0.40 C ATOM 0 H ILE A 27 -2.827 -3.188 4.678 1.00 0.19 H new ATOM 0 HA ILE A 27 -4.465 -3.783 6.910 1.00 0.21 H new ATOM 0 HB ILE A 27 -4.826 -2.966 4.056 1.00 0.25 H new ATOM 0 HG12 ILE A 27 -5.848 -1.681 6.632 1.00 0.35 H new ATOM 0 HG13 ILE A 27 -4.171 -1.489 6.161 1.00 0.35 H new ATOM 0 HG21 ILE A 27 -7.258 -2.780 4.408 1.00 0.26 H new ATOM 0 HG22 ILE A 27 -6.709 -4.472 4.459 1.00 0.26 H new ATOM 0 HG23 ILE A 27 -7.094 -3.615 5.971 1.00 0.26 H new ATOM 0 HD11 ILE A 27 -5.524 0.426 5.384 1.00 0.40 H new ATOM 0 HD12 ILE A 27 -4.880 -0.482 3.996 1.00 0.40 H new ATOM 0 HD13 ILE A 27 -6.583 -0.677 4.474 1.00 0.40 H new ATOM 462 N VAL A 28 -4.339 -6.090 4.543 1.00 0.15 N ATOM 463 CA VAL A 28 -4.653 -7.479 4.255 1.00 0.18 C ATOM 464 C VAL A 28 -4.012 -8.365 5.325 1.00 0.18 C ATOM 465 O VAL A 28 -4.701 -9.140 5.985 1.00 0.21 O ATOM 466 CB VAL A 28 -4.228 -7.824 2.817 1.00 0.24 C ATOM 467 CG1 VAL A 28 -4.216 -9.333 2.564 1.00 0.30 C ATOM 468 CG2 VAL A 28 -5.194 -7.177 1.814 1.00 0.27 C ATOM 0 H VAL A 28 -3.798 -5.626 3.813 1.00 0.15 H new ATOM 0 HA VAL A 28 -5.727 -7.659 4.299 1.00 0.18 H new ATOM 0 HB VAL A 28 -3.216 -7.440 2.686 1.00 0.24 H new ATOM 0 HG11 VAL A 28 -3.910 -9.527 1.536 1.00 0.30 H new ATOM 0 HG12 VAL A 28 -3.515 -9.811 3.248 1.00 0.30 H new ATOM 0 HG13 VAL A 28 -5.215 -9.737 2.728 1.00 0.30 H new ATOM 0 HG21 VAL A 28 -4.885 -7.427 0.799 1.00 0.27 H new ATOM 0 HG22 VAL A 28 -6.203 -7.550 1.988 1.00 0.27 H new ATOM 0 HG23 VAL A 28 -5.180 -6.095 1.942 1.00 0.27 H new ATOM 478 N GLY A 29 -2.700 -8.239 5.529 1.00 0.18 N ATOM 479 CA GLY A 29 -2.008 -8.981 6.573 1.00 0.21 C ATOM 480 C GLY A 29 -2.678 -8.798 7.936 1.00 0.23 C ATOM 481 O GLY A 29 -2.893 -9.772 8.655 1.00 0.32 O ATOM 0 H GLY A 29 -2.097 -7.626 4.980 1.00 0.18 H new ATOM 0 HA2 GLY A 29 -1.990 -10.040 6.316 1.00 0.21 H new ATOM 0 HA3 GLY A 29 -0.971 -8.649 6.629 1.00 0.21 H new ATOM 485 N ALA A 30 -3.030 -7.558 8.281 1.00 0.22 N ATOM 486 CA ALA A 30 -3.727 -7.235 9.519 1.00 0.29 C ATOM 487 C ALA A 30 -5.050 -8.000 9.611 1.00 0.37 C ATOM 488 O ALA A 30 -5.336 -8.616 10.635 1.00 0.52 O ATOM 489 CB ALA A 30 -3.937 -5.722 9.633 1.00 0.34 C ATOM 0 H ALA A 30 -2.835 -6.743 7.699 1.00 0.22 H new ATOM 0 HA ALA A 30 -3.111 -7.549 10.362 1.00 0.29 H new ATOM 0 HB1 ALA A 30 -4.459 -5.496 10.563 1.00 0.34 H new ATOM 0 HB2 ALA A 30 -2.970 -5.219 9.628 1.00 0.34 H new ATOM 0 HB3 ALA A 30 -4.532 -5.373 8.789 1.00 0.34 H new ATOM 495 N LEU A 31 -5.818 -8.037 8.520 1.00 0.34 N ATOM 496 CA LEU A 31 -7.065 -8.751 8.437 1.00 0.42 C ATOM 497 C LEU A 31 -6.809 -10.245 8.676 1.00 0.46 C ATOM 498 O LEU A 31 -7.449 -10.835 9.543 1.00 0.58 O ATOM 499 CB LEU A 31 -7.733 -8.346 7.113 1.00 0.40 C ATOM 500 CG LEU A 31 -8.724 -9.375 6.603 1.00 0.51 C ATOM 501 CD1 LEU A 31 -9.935 -9.537 7.530 1.00 0.63 C ATOM 502 CD2 LEU A 31 -9.193 -9.014 5.190 1.00 0.53 C ATOM 0 H LEU A 31 -5.571 -7.555 7.656 1.00 0.34 H new ATOM 0 HA LEU A 31 -7.784 -8.494 9.215 1.00 0.42 H new ATOM 0 HB2 LEU A 31 -8.246 -7.394 7.249 1.00 0.40 H new ATOM 0 HB3 LEU A 31 -6.962 -8.188 6.358 1.00 0.40 H new ATOM 0 HG LEU A 31 -8.201 -10.331 6.581 1.00 0.51 H new ATOM 0 HD11 LEU A 31 -10.612 -10.285 7.117 1.00 0.63 H new ATOM 0 HD12 LEU A 31 -9.598 -9.857 8.516 1.00 0.63 H new ATOM 0 HD13 LEU A 31 -10.457 -8.584 7.617 1.00 0.63 H new ATOM 0 HD21 LEU A 31 -9.903 -9.763 4.840 1.00 0.53 H new ATOM 0 HD22 LEU A 31 -9.675 -8.036 5.205 1.00 0.53 H new ATOM 0 HD23 LEU A 31 -8.335 -8.986 4.518 1.00 0.53 H new ATOM 514 N LEU A 32 -5.866 -10.871 7.957 1.00 0.42 N ATOM 515 CA LEU A 32 -5.521 -12.264 8.215 1.00 0.49 C ATOM 516 C LEU A 32 -5.101 -12.495 9.671 1.00 0.43 C ATOM 517 O LEU A 32 -5.477 -13.506 10.261 1.00 0.51 O ATOM 518 CB LEU A 32 -4.434 -12.751 7.245 1.00 0.65 C ATOM 519 CG LEU A 32 -4.999 -13.092 5.856 1.00 1.04 C ATOM 520 CD1 LEU A 32 -5.086 -11.891 4.915 1.00 2.09 C ATOM 521 CD2 LEU A 32 -4.139 -14.179 5.198 1.00 1.98 C ATOM 0 H LEU A 32 -5.337 -10.435 7.202 1.00 0.42 H new ATOM 0 HA LEU A 32 -6.422 -12.854 8.044 1.00 0.49 H new ATOM 0 HB2 LEU A 32 -3.669 -11.981 7.144 1.00 0.65 H new ATOM 0 HB3 LEU A 32 -3.946 -13.632 7.662 1.00 0.65 H new ATOM 0 HG LEU A 32 -6.018 -13.442 6.021 1.00 1.04 H new ATOM 0 HD11 LEU A 32 -5.493 -12.209 3.955 1.00 2.09 H new ATOM 0 HD12 LEU A 32 -5.736 -11.133 5.352 1.00 2.09 H new ATOM 0 HD13 LEU A 32 -4.091 -11.473 4.766 1.00 2.09 H new ATOM 0 HD21 LEU A 32 -4.543 -14.417 4.214 1.00 1.98 H new ATOM 0 HD22 LEU A 32 -3.116 -13.819 5.092 1.00 1.98 H new ATOM 0 HD23 LEU A 32 -4.146 -15.074 5.820 1.00 1.98 H new ATOM 533 N MET A 33 -4.316 -11.584 10.251 1.00 0.36 N ATOM 534 CA MET A 33 -3.916 -11.668 11.649 1.00 0.44 C ATOM 535 C MET A 33 -5.141 -11.595 12.570 1.00 0.47 C ATOM 536 O MET A 33 -5.227 -12.352 13.536 1.00 0.67 O ATOM 537 CB MET A 33 -2.862 -10.588 11.943 1.00 0.56 C ATOM 538 CG MET A 33 -2.416 -10.555 13.410 1.00 1.76 C ATOM 539 SD MET A 33 -3.452 -9.555 14.514 1.00 3.88 S ATOM 540 CE MET A 33 -2.615 -9.841 16.087 1.00 5.03 C ATOM 0 H MET A 33 -3.943 -10.770 9.762 1.00 0.36 H new ATOM 0 HA MET A 33 -3.453 -12.634 11.850 1.00 0.44 H new ATOM 0 HB2 MET A 33 -1.991 -10.759 11.310 1.00 0.56 H new ATOM 0 HB3 MET A 33 -3.267 -9.613 11.672 1.00 0.56 H new ATOM 0 HG2 MET A 33 -2.392 -11.577 13.788 1.00 1.76 H new ATOM 0 HG3 MET A 33 -1.395 -10.175 13.454 1.00 1.76 H new ATOM 0 HE1 MET A 33 -3.129 -9.294 16.877 1.00 5.03 H new ATOM 0 HE2 MET A 33 -2.627 -10.906 16.317 1.00 5.03 H new ATOM 0 HE3 MET A 33 -1.583 -9.496 16.018 1.00 5.03 H new ATOM 550 N GLY A 34 -6.079 -10.691 12.282 1.00 0.45 N ATOM 551 CA GLY A 34 -7.277 -10.510 13.083 1.00 0.66 C ATOM 552 C GLY A 34 -8.257 -9.524 12.450 1.00 1.93 C ATOM 553 O GLY A 34 -9.438 -9.840 12.311 1.00 3.21 O ATOM 0 H GLY A 34 -6.022 -10.063 11.480 1.00 0.45 H new ATOM 0 HA2 GLY A 34 -7.770 -11.473 13.217 1.00 0.66 H new ATOM 0 HA3 GLY A 34 -6.997 -10.154 14.075 1.00 0.66 H new ATOM 557 N LEU A 35 -7.796 -8.314 12.123 1.00 2.60 N ATOM 558 CA LEU A 35 -8.617 -7.225 11.618 1.00 4.18 C ATOM 559 C LEU A 35 -7.639 -6.197 11.054 1.00 5.38 C ATOM 560 O LEU A 35 -6.588 -6.036 11.675 1.00 5.98 O ATOM 561 CB LEU A 35 -9.464 -6.632 12.762 1.00 4.90 C ATOM 562 CG LEU A 35 -10.739 -5.881 12.334 1.00 5.99 C ATOM 563 CD1 LEU A 35 -10.468 -4.731 11.359 1.00 7.10 C ATOM 564 CD2 LEU A 35 -11.795 -6.829 11.752 1.00 6.40 C ATOM 565 OXT LEU A 35 -7.802 -5.801 9.903 1.00 6.29 O ATOM 0 H LEU A 35 -6.811 -8.064 12.207 1.00 2.60 H new ATOM 0 HA LEU A 35 -9.317 -7.555 10.850 1.00 4.18 H new ATOM 0 HB2 LEU A 35 -9.750 -7.441 13.434 1.00 4.90 H new ATOM 0 HB3 LEU A 35 -8.838 -5.948 13.335 1.00 4.90 H new ATOM 0 HG LEU A 35 -11.132 -5.440 13.250 1.00 5.99 H new ATOM 0 HD11 LEU A 35 -11.408 -4.245 11.099 1.00 7.10 H new ATOM 0 HD12 LEU A 35 -9.803 -4.006 11.828 1.00 7.10 H new ATOM 0 HD13 LEU A 35 -10.000 -5.122 10.456 1.00 7.10 H new ATOM 0 HD21 LEU A 35 -12.677 -6.258 11.463 1.00 6.40 H new ATOM 0 HD22 LEU A 35 -11.387 -7.334 10.876 1.00 6.40 H new ATOM 0 HD23 LEU A 35 -12.072 -7.570 12.502 1.00 6.40 H new TER 577 LEU A 35