USER MOD reduce.3.24.130724 H: found=0, std=0, add=318, rem=0, adj=4 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+ 157:sc= -0.942 (180deg=-2.21!) USER MOD Single : A 5 CYS SG : rot 46:sc= 0.103 USER MOD Single : A 6 CYS SG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0.613 K(o=0.61,f=-12!) USER MOD Single : A 11 LYS NZ :NH3+ 149:sc= 1.17 (180deg=-0.561) USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 22.245 23.728 -19.865 1.00 19.34 N ATOM 2 CA LEU A 1 21.282 22.625 -19.706 1.00 18.08 C ATOM 3 C LEU A 1 20.954 22.429 -18.225 1.00 17.33 C ATOM 4 O LEU A 1 21.537 23.117 -17.383 1.00 17.99 O ATOM 5 CB LEU A 1 21.750 21.332 -20.408 1.00 18.16 C ATOM 6 CG LEU A 1 23.079 20.667 -19.987 1.00 19.18 C ATOM 7 CD1 LEU A 1 24.332 21.477 -20.341 1.00 20.51 C ATOM 8 CD2 LEU A 1 23.130 20.229 -18.519 1.00 19.39 C ATOM 0 H1 LEU A 1 22.754 23.618 -20.765 1.00 19.34 H new ATOM 0 H2 LEU A 1 21.737 24.635 -19.864 1.00 19.34 H new ATOM 0 H3 LEU A 1 22.925 23.711 -19.079 1.00 19.34 H new ATOM 0 HA LEU A 1 20.355 22.895 -20.212 1.00 18.08 H new ATOM 0 HB2 LEU A 1 20.961 20.590 -20.282 1.00 18.16 H new ATOM 0 HB3 LEU A 1 21.818 21.547 -21.474 1.00 18.16 H new ATOM 0 HG LEU A 1 23.092 19.764 -20.597 1.00 19.18 H new ATOM 0 HD11 LEU A 1 25.219 20.938 -20.010 1.00 20.51 H new ATOM 0 HD12 LEU A 1 24.378 21.623 -21.420 1.00 20.51 H new ATOM 0 HD13 LEU A 1 24.291 22.447 -19.845 1.00 20.51 H new ATOM 0 HD21 LEU A 1 24.097 19.772 -18.309 1.00 19.39 H new ATOM 0 HD22 LEU A 1 22.991 21.098 -17.875 1.00 19.39 H new ATOM 0 HD23 LEU A 1 22.338 19.505 -18.328 1.00 19.39 H new ATOM 22 N ARG A 2 20.039 21.506 -17.926 1.00 16.19 N ATOM 23 CA ARG A 2 19.777 20.929 -16.616 1.00 15.59 C ATOM 24 C ARG A 2 19.391 19.472 -16.884 1.00 14.14 C ATOM 25 O ARG A 2 19.219 19.099 -18.046 1.00 13.74 O ATOM 26 CB ARG A 2 18.635 21.671 -15.899 1.00 15.78 C ATOM 27 CG ARG A 2 18.967 23.109 -15.474 1.00 16.77 C ATOM 28 CD ARG A 2 20.071 23.158 -14.407 1.00 17.73 C ATOM 29 NE ARG A 2 20.297 24.529 -13.919 1.00 18.50 N ATOM 30 CZ ARG A 2 21.136 25.426 -14.463 1.00 19.50 C ATOM 31 NH1 ARG A 2 21.783 25.146 -15.600 1.00 19.87 N ATOM 32 NH2 ARG A 2 21.326 26.608 -13.864 1.00 20.36 N ATOM 0 H ARG A 2 19.424 21.120 -18.642 1.00 16.19 H new ATOM 0 HA ARG A 2 20.647 21.007 -15.964 1.00 15.59 H new ATOM 0 HB2 ARG A 2 17.766 21.693 -16.557 1.00 15.78 H new ATOM 0 HB3 ARG A 2 18.351 21.102 -15.014 1.00 15.78 H new ATOM 0 HG2 ARG A 2 19.282 23.681 -16.347 1.00 16.77 H new ATOM 0 HG3 ARG A 2 18.068 23.588 -15.087 1.00 16.77 H new ATOM 0 HD2 ARG A 2 19.798 22.515 -13.571 1.00 17.73 H new ATOM 0 HD3 ARG A 2 20.997 22.763 -14.824 1.00 17.73 H new ATOM 0 HE ARG A 2 19.771 24.823 -13.096 1.00 18.50 H new ATOM 0 HH11 ARG A 2 21.641 24.247 -16.060 1.00 19.87 H new ATOM 0 HH12 ARG A 2 22.419 25.832 -16.007 1.00 19.87 H new ATOM 0 HH21 ARG A 2 20.834 26.825 -12.997 1.00 20.36 H new ATOM 0 HH22 ARG A 2 21.962 27.291 -14.274 1.00 20.36 H new ATOM 46 N ILE A 3 19.259 18.655 -15.839 1.00 13.62 N ATOM 47 CA ILE A 3 18.925 17.250 -15.992 1.00 12.48 C ATOM 48 C ILE A 3 17.444 17.112 -16.373 1.00 10.86 C ATOM 49 O ILE A 3 16.627 17.919 -15.927 1.00 10.50 O ATOM 50 CB ILE A 3 19.281 16.489 -14.700 1.00 13.03 C ATOM 51 CG1 ILE A 3 18.488 16.933 -13.453 1.00 13.29 C ATOM 52 CG2 ILE A 3 20.788 16.613 -14.425 1.00 14.16 C ATOM 53 CD1 ILE A 3 17.248 16.069 -13.203 1.00 12.92 C ATOM 0 H ILE A 3 19.381 18.952 -14.871 1.00 13.62 H new ATOM 0 HA ILE A 3 19.509 16.805 -16.798 1.00 12.48 H new ATOM 0 HB ILE A 3 18.998 15.452 -14.879 1.00 13.03 H new ATOM 0 HG12 ILE A 3 19.138 16.890 -12.579 1.00 13.29 H new ATOM 0 HG13 ILE A 3 18.183 17.973 -13.572 1.00 13.29 H new ATOM 0 HG21 ILE A 3 21.037 16.074 -13.511 1.00 14.16 H new ATOM 0 HG22 ILE A 3 21.346 16.189 -15.260 1.00 14.16 H new ATOM 0 HG23 ILE A 3 21.051 17.664 -14.309 1.00 14.16 H new ATOM 0 HD11 ILE A 3 16.729 16.426 -12.314 1.00 12.92 H new ATOM 0 HD12 ILE A 3 16.581 16.132 -14.063 1.00 12.92 H new ATOM 0 HD13 ILE A 3 17.551 15.032 -13.054 1.00 12.92 H new ATOM 65 N PRO A 4 17.080 16.128 -17.208 1.00 10.17 N ATOM 66 CA PRO A 4 15.701 15.912 -17.610 1.00 8.86 C ATOM 67 C PRO A 4 14.905 15.312 -16.450 1.00 7.88 C ATOM 68 O PRO A 4 15.406 14.455 -15.724 1.00 8.60 O ATOM 69 CB PRO A 4 15.775 14.949 -18.798 1.00 9.14 C ATOM 70 CG PRO A 4 17.037 14.136 -18.506 1.00 10.19 C ATOM 71 CD PRO A 4 17.960 15.160 -17.844 1.00 11.01 C ATOM 0 HA PRO A 4 15.195 16.837 -17.885 1.00 8.86 H new ATOM 0 HB2 PRO A 4 14.891 14.314 -18.858 1.00 9.14 H new ATOM 0 HB3 PRO A 4 15.849 15.483 -19.746 1.00 9.14 H new ATOM 0 HG2 PRO A 4 16.830 13.293 -17.847 1.00 10.19 H new ATOM 0 HG3 PRO A 4 17.474 13.728 -19.417 1.00 10.19 H new ATOM 0 HD2 PRO A 4 18.613 14.684 -17.112 1.00 11.01 H new ATOM 0 HD3 PRO A 4 18.604 15.641 -18.580 1.00 11.01 H new ATOM 79 N CYS A 5 13.654 15.747 -16.283 1.00 6.67 N ATOM 80 CA CYS A 5 12.735 15.228 -15.273 1.00 6.13 C ATOM 81 C CYS A 5 11.312 15.497 -15.758 1.00 4.66 C ATOM 82 O CYS A 5 10.501 16.114 -15.077 1.00 4.70 O ATOM 83 CB CYS A 5 13.039 15.839 -13.890 1.00 7.56 C ATOM 84 SG CYS A 5 13.939 14.638 -12.879 1.00 9.10 S ATOM 0 H CYS A 5 13.246 16.484 -16.858 1.00 6.67 H new ATOM 0 HA CYS A 5 12.857 14.153 -15.143 1.00 6.13 H new ATOM 0 HB2 CYS A 5 13.630 16.748 -14.005 1.00 7.56 H new ATOM 0 HB3 CYS A 5 12.110 16.123 -13.395 1.00 7.56 H new ATOM 0 HG CYS A 5 14.887 14.099 -13.586 1.00 9.10 H new ATOM 90 N CYS A 6 11.012 15.036 -16.975 1.00 4.19 N ATOM 91 CA CYS A 6 9.720 15.259 -17.617 1.00 3.94 C ATOM 92 C CYS A 6 8.520 14.809 -16.762 1.00 3.24 C ATOM 93 O CYS A 6 7.626 15.626 -16.541 1.00 3.44 O ATOM 94 CB CYS A 6 9.711 14.657 -19.029 1.00 5.23 C ATOM 95 SG CYS A 6 8.014 14.628 -19.656 1.00 6.31 S ATOM 0 H CYS A 6 11.664 14.495 -17.543 1.00 4.19 H new ATOM 0 HA CYS A 6 9.591 16.337 -17.713 1.00 3.94 H new ATOM 0 HB2 CYS A 6 10.346 15.245 -19.692 1.00 5.23 H new ATOM 0 HB3 CYS A 6 10.121 13.647 -19.009 1.00 5.23 H new ATOM 0 HG CYS A 6 8.002 14.121 -20.853 1.00 6.31 H new ATOM 101 N PRO A 7 8.454 13.560 -16.261 1.00 3.06 N ATOM 102 CA PRO A 7 7.277 13.067 -15.550 1.00 3.18 C ATOM 103 C PRO A 7 7.203 13.582 -14.101 1.00 2.77 C ATOM 104 O PRO A 7 7.058 12.796 -13.159 1.00 3.08 O ATOM 105 CB PRO A 7 7.382 11.539 -15.639 1.00 4.05 C ATOM 106 CG PRO A 7 8.890 11.304 -15.645 1.00 4.16 C ATOM 107 CD PRO A 7 9.398 12.472 -16.486 1.00 3.68 C ATOM 0 HA PRO A 7 6.350 13.430 -15.995 1.00 3.18 H new ATOM 0 HB2 PRO A 7 6.900 11.050 -14.792 1.00 4.05 H new ATOM 0 HB3 PRO A 7 6.909 11.153 -16.542 1.00 4.05 H new ATOM 0 HG2 PRO A 7 9.307 11.316 -14.638 1.00 4.16 H new ATOM 0 HG3 PRO A 7 9.150 10.342 -16.086 1.00 4.16 H new ATOM 0 HD2 PRO A 7 10.406 12.760 -16.188 1.00 3.68 H new ATOM 0 HD3 PRO A 7 9.442 12.204 -17.542 1.00 3.68 H new ATOM 115 N VAL A 8 7.248 14.906 -13.907 1.00 2.43 N ATOM 116 CA VAL A 8 7.004 15.501 -12.599 1.00 2.19 C ATOM 117 C VAL A 8 5.596 15.110 -12.157 1.00 2.11 C ATOM 118 O VAL A 8 4.705 14.899 -12.979 1.00 3.16 O ATOM 119 CB VAL A 8 7.152 17.034 -12.592 1.00 2.58 C ATOM 120 CG1 VAL A 8 7.300 17.576 -11.161 1.00 2.76 C ATOM 121 CG2 VAL A 8 8.354 17.529 -13.405 1.00 3.35 C ATOM 0 H VAL A 8 7.452 15.581 -14.644 1.00 2.43 H new ATOM 0 HA VAL A 8 7.758 15.122 -11.909 1.00 2.19 H new ATOM 0 HB VAL A 8 6.238 17.407 -13.054 1.00 2.58 H new ATOM 0 HG11 VAL A 8 7.402 18.661 -11.192 1.00 2.76 H new ATOM 0 HG12 VAL A 8 6.418 17.311 -10.579 1.00 2.76 H new ATOM 0 HG13 VAL A 8 8.185 17.141 -10.697 1.00 2.76 H new ATOM 0 HG21 VAL A 8 8.401 18.617 -13.359 1.00 3.35 H new ATOM 0 HG22 VAL A 8 9.271 17.108 -12.992 1.00 3.35 H new ATOM 0 HG23 VAL A 8 8.246 17.214 -14.443 1.00 3.35 H new ATOM 131 N ASN A 9 5.413 14.982 -10.846 1.00 1.31 N ATOM 132 CA ASN A 9 4.235 14.445 -10.171 1.00 1.09 C ATOM 133 C ASN A 9 3.965 12.973 -10.482 1.00 0.81 C ATOM 134 O ASN A 9 3.728 12.205 -9.557 1.00 0.85 O ATOM 135 CB ASN A 9 2.970 15.287 -10.417 1.00 1.44 C ATOM 136 CG ASN A 9 2.950 16.561 -9.584 1.00 1.96 C ATOM 137 OD1 ASN A 9 2.478 16.545 -8.446 1.00 3.14 O ATOM 138 ND2 ASN A 9 3.467 17.662 -10.117 1.00 2.69 N ATOM 0 H ASN A 9 6.132 15.270 -10.182 1.00 1.31 H new ATOM 0 HA ASN A 9 4.481 14.507 -9.111 1.00 1.09 H new ATOM 0 HB2 ASN A 9 2.909 15.546 -11.474 1.00 1.44 H new ATOM 0 HB3 ASN A 9 2.088 14.690 -10.184 1.00 1.44 H new ATOM 0 HD21 ASN A 9 3.482 18.530 -9.581 1.00 2.69 H new ATOM 0 HD22 ASN A 9 3.850 17.640 -11.062 1.00 2.69 H new ATOM 145 N LEU A 10 4.017 12.552 -11.741 1.00 0.88 N ATOM 146 CA LEU A 10 3.714 11.187 -12.142 1.00 0.84 C ATOM 147 C LEU A 10 4.736 10.236 -11.524 1.00 0.67 C ATOM 148 O LEU A 10 4.379 9.222 -10.921 1.00 0.56 O ATOM 149 CB LEU A 10 3.707 11.079 -13.674 1.00 1.17 C ATOM 150 CG LEU A 10 2.697 12.013 -14.364 1.00 1.93 C ATOM 151 CD1 LEU A 10 2.816 11.843 -15.882 1.00 2.91 C ATOM 152 CD2 LEU A 10 1.253 11.728 -13.932 1.00 3.11 C ATOM 0 H LEU A 10 4.274 13.158 -12.520 1.00 0.88 H new ATOM 0 HA LEU A 10 2.723 10.909 -11.782 1.00 0.84 H new ATOM 0 HB2 LEU A 10 4.706 11.302 -14.048 1.00 1.17 H new ATOM 0 HB3 LEU A 10 3.484 10.049 -13.954 1.00 1.17 H new ATOM 0 HG LEU A 10 2.932 13.036 -14.069 1.00 1.93 H new ATOM 0 HD11 LEU A 10 2.103 12.501 -16.379 1.00 2.91 H new ATOM 0 HD12 LEU A 10 3.827 12.098 -16.198 1.00 2.91 H new ATOM 0 HD13 LEU A 10 2.602 10.808 -16.150 1.00 2.91 H new ATOM 0 HD21 LEU A 10 0.578 12.412 -14.446 1.00 3.11 H new ATOM 0 HD22 LEU A 10 0.993 10.701 -14.188 1.00 3.11 H new ATOM 0 HD23 LEU A 10 1.161 11.868 -12.855 1.00 3.11 H new ATOM 164 N LYS A 11 6.020 10.586 -11.637 1.00 0.80 N ATOM 165 CA LYS A 11 7.088 9.707 -11.187 1.00 0.92 C ATOM 166 C LYS A 11 6.970 9.434 -9.689 1.00 0.84 C ATOM 167 O LYS A 11 7.270 8.321 -9.250 1.00 1.08 O ATOM 168 CB LYS A 11 8.459 10.277 -11.582 1.00 1.26 C ATOM 169 CG LYS A 11 9.584 9.238 -11.439 1.00 1.88 C ATOM 170 CD LYS A 11 10.281 9.255 -10.066 1.00 2.14 C ATOM 171 CE LYS A 11 10.711 7.839 -9.650 1.00 2.85 C ATOM 172 NZ LYS A 11 9.601 7.084 -9.029 1.00 4.03 N ATOM 0 H LYS A 11 6.338 11.469 -12.035 1.00 0.80 H new ATOM 0 HA LYS A 11 6.990 8.744 -11.688 1.00 0.92 H new ATOM 0 HB2 LYS A 11 8.421 10.629 -12.613 1.00 1.26 H new ATOM 0 HB3 LYS A 11 8.684 11.142 -10.958 1.00 1.26 H new ATOM 0 HG2 LYS A 11 9.171 8.244 -11.613 1.00 1.88 H new ATOM 0 HG3 LYS A 11 10.329 9.415 -12.215 1.00 1.88 H new ATOM 0 HD2 LYS A 11 11.153 9.907 -10.105 1.00 2.14 H new ATOM 0 HD3 LYS A 11 9.606 9.669 -9.317 1.00 2.14 H new ATOM 0 HE2 LYS A 11 11.073 7.298 -10.524 1.00 2.85 H new ATOM 0 HE3 LYS A 11 11.543 7.904 -8.948 1.00 2.85 H new ATOM 0 HZ1 LYS A 11 9.713 6.071 -9.234 1.00 4.03 H new ATOM 0 HZ2 LYS A 11 9.614 7.232 -8.000 1.00 4.03 H new ATOM 0 HZ3 LYS A 11 8.695 7.418 -9.416 1.00 4.03 H new ATOM 186 N ARG A 12 6.560 10.444 -8.909 1.00 0.75 N ATOM 187 CA ARG A 12 6.361 10.303 -7.478 1.00 0.82 C ATOM 188 C ARG A 12 4.972 9.757 -7.146 1.00 0.61 C ATOM 189 O ARG A 12 4.803 9.058 -6.152 1.00 0.76 O ATOM 190 CB ARG A 12 6.729 11.599 -6.730 1.00 1.11 C ATOM 191 CG ARG A 12 5.674 12.707 -6.769 1.00 1.55 C ATOM 192 CD ARG A 12 4.582 12.554 -5.692 1.00 2.40 C ATOM 193 NE ARG A 12 3.245 12.841 -6.236 1.00 3.90 N ATOM 194 CZ ARG A 12 2.846 14.043 -6.681 1.00 4.96 C ATOM 195 NH1 ARG A 12 3.631 15.111 -6.526 1.00 4.95 N ATOM 196 NH2 ARG A 12 1.678 14.192 -7.312 1.00 6.70 N ATOM 0 H ARG A 12 6.359 11.379 -9.263 1.00 0.75 H new ATOM 0 HA ARG A 12 7.054 9.547 -7.109 1.00 0.82 H new ATOM 0 HB2 ARG A 12 6.931 11.351 -5.688 1.00 1.11 H new ATOM 0 HB3 ARG A 12 7.656 11.989 -7.150 1.00 1.11 H new ATOM 0 HG2 ARG A 12 6.166 13.671 -6.642 1.00 1.55 H new ATOM 0 HG3 ARG A 12 5.204 12.716 -7.753 1.00 1.55 H new ATOM 0 HD2 ARG A 12 4.603 11.540 -5.292 1.00 2.40 H new ATOM 0 HD3 ARG A 12 4.791 13.229 -4.862 1.00 2.40 H new ATOM 0 HE ARG A 12 2.575 12.073 -6.278 1.00 3.90 H new ATOM 0 HH11 ARG A 12 4.537 15.016 -6.068 1.00 4.95 H new ATOM 0 HH12 ARG A 12 3.325 16.023 -6.865 1.00 4.95 H new ATOM 0 HH21 ARG A 12 1.073 13.385 -7.463 1.00 6.70 H new ATOM 0 HH22 ARG A 12 1.391 15.113 -7.643 1.00 6.70 H new ATOM 210 N LEU A 13 3.989 9.984 -8.014 1.00 0.35 N ATOM 211 CA LEU A 13 2.668 9.386 -7.879 1.00 0.38 C ATOM 212 C LEU A 13 2.804 7.869 -7.924 1.00 0.27 C ATOM 213 O LEU A 13 2.175 7.175 -7.136 1.00 0.32 O ATOM 214 CB LEU A 13 1.688 9.943 -8.910 1.00 0.51 C ATOM 215 CG LEU A 13 0.257 9.394 -8.764 1.00 0.87 C ATOM 216 CD1 LEU A 13 -0.752 10.490 -9.126 1.00 1.89 C ATOM 217 CD2 LEU A 13 0.016 8.186 -9.681 1.00 1.79 C ATOM 0 H LEU A 13 4.088 10.588 -8.830 1.00 0.35 H new ATOM 0 HA LEU A 13 2.238 9.653 -6.913 1.00 0.38 H new ATOM 0 HB2 LEU A 13 1.661 11.029 -8.823 1.00 0.51 H new ATOM 0 HB3 LEU A 13 2.056 9.712 -9.910 1.00 0.51 H new ATOM 0 HG LEU A 13 0.129 9.076 -7.729 1.00 0.87 H new ATOM 0 HD11 LEU A 13 -1.765 10.101 -9.022 1.00 1.89 H new ATOM 0 HD12 LEU A 13 -0.620 11.341 -8.458 1.00 1.89 H new ATOM 0 HD13 LEU A 13 -0.589 10.809 -10.156 1.00 1.89 H new ATOM 0 HD21 LEU A 13 -1.005 7.827 -9.549 1.00 1.79 H new ATOM 0 HD22 LEU A 13 0.165 8.482 -10.719 1.00 1.79 H new ATOM 0 HD23 LEU A 13 0.716 7.390 -9.426 1.00 1.79 H new ATOM 229 N LEU A 14 3.675 7.348 -8.790 1.00 0.23 N ATOM 230 CA LEU A 14 4.009 5.932 -8.781 1.00 0.28 C ATOM 231 C LEU A 14 4.446 5.468 -7.388 1.00 0.24 C ATOM 232 O LEU A 14 3.993 4.439 -6.892 1.00 0.27 O ATOM 233 CB LEU A 14 5.101 5.655 -9.824 1.00 0.36 C ATOM 234 CG LEU A 14 5.121 4.196 -10.309 1.00 0.51 C ATOM 235 CD1 LEU A 14 3.926 3.873 -11.216 1.00 1.94 C ATOM 236 CD2 LEU A 14 6.418 3.947 -11.087 1.00 1.81 C ATOM 0 H LEU A 14 4.160 7.890 -9.505 1.00 0.23 H new ATOM 0 HA LEU A 14 3.117 5.362 -9.041 1.00 0.28 H new ATOM 0 HB2 LEU A 14 4.952 6.313 -10.680 1.00 0.36 H new ATOM 0 HB3 LEU A 14 6.073 5.902 -9.397 1.00 0.36 H new ATOM 0 HG LEU A 14 5.060 3.551 -9.432 1.00 0.51 H new ATOM 0 HD11 LEU A 14 3.982 2.832 -11.534 1.00 1.94 H new ATOM 0 HD12 LEU A 14 2.998 4.035 -10.667 1.00 1.94 H new ATOM 0 HD13 LEU A 14 3.948 4.522 -12.092 1.00 1.94 H new ATOM 0 HD21 LEU A 14 6.441 2.914 -11.435 1.00 1.81 H new ATOM 0 HD22 LEU A 14 6.463 4.620 -11.943 1.00 1.81 H new ATOM 0 HD23 LEU A 14 7.273 4.130 -10.436 1.00 1.81 H new ATOM 248 N VAL A 15 5.312 6.248 -6.739 1.00 0.20 N ATOM 249 CA VAL A 15 5.744 5.942 -5.380 1.00 0.25 C ATOM 250 C VAL A 15 4.533 5.963 -4.441 1.00 0.24 C ATOM 251 O VAL A 15 4.372 5.055 -3.632 1.00 0.27 O ATOM 252 CB VAL A 15 6.878 6.873 -4.913 1.00 0.43 C ATOM 253 CG1 VAL A 15 7.395 6.448 -3.531 1.00 0.71 C ATOM 254 CG2 VAL A 15 8.051 6.842 -5.900 1.00 0.48 C ATOM 0 H VAL A 15 5.725 7.093 -7.133 1.00 0.20 H new ATOM 0 HA VAL A 15 6.168 4.938 -5.361 1.00 0.25 H new ATOM 0 HB VAL A 15 6.469 7.882 -4.860 1.00 0.43 H new ATOM 0 HG11 VAL A 15 8.196 7.119 -3.220 1.00 0.71 H new ATOM 0 HG12 VAL A 15 6.581 6.495 -2.808 1.00 0.71 H new ATOM 0 HG13 VAL A 15 7.776 5.428 -3.583 1.00 0.71 H new ATOM 0 HG21 VAL A 15 8.840 7.507 -5.549 1.00 0.48 H new ATOM 0 HG22 VAL A 15 8.439 5.826 -5.972 1.00 0.48 H new ATOM 0 HG23 VAL A 15 7.709 7.171 -6.882 1.00 0.48 H new ATOM 264 N VAL A 16 3.656 6.966 -4.565 1.00 0.29 N ATOM 265 CA VAL A 16 2.424 7.001 -3.784 1.00 0.38 C ATOM 266 C VAL A 16 1.625 5.714 -4.006 1.00 0.41 C ATOM 267 O VAL A 16 1.193 5.100 -3.036 1.00 0.47 O ATOM 268 CB VAL A 16 1.596 8.271 -4.065 1.00 0.44 C ATOM 269 CG1 VAL A 16 0.271 8.255 -3.289 1.00 0.68 C ATOM 270 CG2 VAL A 16 2.371 9.531 -3.659 1.00 0.61 C ATOM 0 H VAL A 16 3.779 7.758 -5.196 1.00 0.29 H new ATOM 0 HA VAL A 16 2.687 7.051 -2.727 1.00 0.38 H new ATOM 0 HB VAL A 16 1.394 8.285 -5.136 1.00 0.44 H new ATOM 0 HG11 VAL A 16 -0.290 9.164 -3.508 1.00 0.68 H new ATOM 0 HG12 VAL A 16 -0.315 7.386 -3.588 1.00 0.68 H new ATOM 0 HG13 VAL A 16 0.476 8.204 -2.220 1.00 0.68 H new ATOM 0 HG21 VAL A 16 1.766 10.413 -3.867 1.00 0.61 H new ATOM 0 HG22 VAL A 16 2.599 9.490 -2.594 1.00 0.61 H new ATOM 0 HG23 VAL A 16 3.300 9.586 -4.227 1.00 0.61 H new ATOM 280 N VAL A 17 1.450 5.272 -5.255 1.00 0.39 N ATOM 281 CA VAL A 17 0.764 4.032 -5.555 1.00 0.46 C ATOM 282 C VAL A 17 1.438 2.873 -4.813 1.00 0.43 C ATOM 283 O VAL A 17 0.763 2.103 -4.137 1.00 0.48 O ATOM 284 CB VAL A 17 0.665 3.820 -7.076 1.00 0.49 C ATOM 285 CG1 VAL A 17 0.133 2.425 -7.410 1.00 0.61 C ATOM 286 CG2 VAL A 17 -0.281 4.854 -7.703 1.00 0.55 C ATOM 0 H VAL A 17 1.784 5.771 -6.080 1.00 0.39 H new ATOM 0 HA VAL A 17 -0.264 4.078 -5.195 1.00 0.46 H new ATOM 0 HB VAL A 17 1.671 3.932 -7.480 1.00 0.49 H new ATOM 0 HG11 VAL A 17 0.075 2.307 -8.492 1.00 0.61 H new ATOM 0 HG12 VAL A 17 0.804 1.671 -6.998 1.00 0.61 H new ATOM 0 HG13 VAL A 17 -0.860 2.301 -6.978 1.00 0.61 H new ATOM 0 HG21 VAL A 17 -0.339 4.689 -8.779 1.00 0.55 H new ATOM 0 HG22 VAL A 17 -1.274 4.750 -7.266 1.00 0.55 H new ATOM 0 HG23 VAL A 17 0.098 5.858 -7.510 1.00 0.55 H new ATOM 296 N VAL A 18 2.765 2.756 -4.899 1.00 0.36 N ATOM 297 CA VAL A 18 3.499 1.727 -4.181 1.00 0.35 C ATOM 298 C VAL A 18 3.222 1.804 -2.673 1.00 0.36 C ATOM 299 O VAL A 18 2.980 0.779 -2.036 1.00 0.40 O ATOM 300 CB VAL A 18 5.001 1.783 -4.523 1.00 0.30 C ATOM 301 CG1 VAL A 18 5.821 0.824 -3.649 1.00 0.31 C ATOM 302 CG2 VAL A 18 5.230 1.392 -5.990 1.00 0.34 C ATOM 0 H VAL A 18 3.351 3.369 -5.465 1.00 0.36 H new ATOM 0 HA VAL A 18 3.144 0.750 -4.509 1.00 0.35 H new ATOM 0 HB VAL A 18 5.326 2.807 -4.339 1.00 0.30 H new ATOM 0 HG11 VAL A 18 6.874 0.894 -3.922 1.00 0.31 H new ATOM 0 HG12 VAL A 18 5.699 1.093 -2.600 1.00 0.31 H new ATOM 0 HG13 VAL A 18 5.473 -0.197 -3.804 1.00 0.31 H new ATOM 0 HG21 VAL A 18 6.295 1.436 -6.216 1.00 0.34 H new ATOM 0 HG22 VAL A 18 4.865 0.379 -6.158 1.00 0.34 H new ATOM 0 HG23 VAL A 18 4.692 2.083 -6.639 1.00 0.34 H new ATOM 312 N VAL A 19 3.232 3.006 -2.090 1.00 0.35 N ATOM 313 CA VAL A 19 2.955 3.180 -0.671 1.00 0.39 C ATOM 314 C VAL A 19 1.541 2.685 -0.369 1.00 0.45 C ATOM 315 O VAL A 19 1.341 1.910 0.563 1.00 0.45 O ATOM 316 CB VAL A 19 3.194 4.641 -0.246 1.00 0.40 C ATOM 317 CG1 VAL A 19 2.670 4.918 1.170 1.00 0.46 C ATOM 318 CG2 VAL A 19 4.696 4.954 -0.271 1.00 0.35 C ATOM 0 H VAL A 19 3.431 3.874 -2.587 1.00 0.35 H new ATOM 0 HA VAL A 19 3.644 2.580 -0.076 1.00 0.39 H new ATOM 0 HB VAL A 19 2.654 5.273 -0.952 1.00 0.40 H new ATOM 0 HG11 VAL A 19 2.859 5.959 1.430 1.00 0.46 H new ATOM 0 HG12 VAL A 19 1.598 4.723 1.206 1.00 0.46 H new ATOM 0 HG13 VAL A 19 3.181 4.268 1.881 1.00 0.46 H new ATOM 0 HG21 VAL A 19 4.857 5.989 0.031 1.00 0.35 H new ATOM 0 HG22 VAL A 19 5.218 4.290 0.418 1.00 0.35 H new ATOM 0 HG23 VAL A 19 5.082 4.806 -1.280 1.00 0.35 H new ATOM 328 N VAL A 20 0.564 3.101 -1.177 1.00 0.50 N ATOM 329 CA VAL A 20 -0.814 2.661 -1.054 1.00 0.57 C ATOM 330 C VAL A 20 -0.886 1.131 -1.090 1.00 0.55 C ATOM 331 O VAL A 20 -1.508 0.527 -0.222 1.00 0.57 O ATOM 332 CB VAL A 20 -1.708 3.341 -2.110 1.00 0.62 C ATOM 333 CG1 VAL A 20 -3.104 2.705 -2.177 1.00 0.71 C ATOM 334 CG2 VAL A 20 -1.878 4.831 -1.783 1.00 0.65 C ATOM 0 H VAL A 20 0.716 3.760 -1.941 1.00 0.50 H new ATOM 0 HA VAL A 20 -1.207 2.972 -0.086 1.00 0.57 H new ATOM 0 HB VAL A 20 -1.213 3.211 -3.072 1.00 0.62 H new ATOM 0 HG11 VAL A 20 -3.700 3.215 -2.934 1.00 0.71 H new ATOM 0 HG12 VAL A 20 -3.011 1.651 -2.438 1.00 0.71 H new ATOM 0 HG13 VAL A 20 -3.593 2.797 -1.207 1.00 0.71 H new ATOM 0 HG21 VAL A 20 -2.511 5.299 -2.537 1.00 0.65 H new ATOM 0 HG22 VAL A 20 -2.342 4.938 -0.802 1.00 0.65 H new ATOM 0 HG23 VAL A 20 -0.902 5.316 -1.778 1.00 0.65 H new ATOM 344 N VAL A 21 -0.235 0.492 -2.064 1.00 0.53 N ATOM 345 CA VAL A 21 -0.180 -0.952 -2.178 1.00 0.51 C ATOM 346 C VAL A 21 0.400 -1.569 -0.905 1.00 0.46 C ATOM 347 O VAL A 21 -0.155 -2.533 -0.387 1.00 0.44 O ATOM 348 CB VAL A 21 0.641 -1.302 -3.427 1.00 0.52 C ATOM 349 CG1 VAL A 21 1.054 -2.772 -3.455 1.00 0.52 C ATOM 350 CG2 VAL A 21 -0.161 -0.997 -4.700 1.00 0.55 C ATOM 0 H VAL A 21 0.274 0.978 -2.803 1.00 0.53 H new ATOM 0 HA VAL A 21 -1.181 -1.369 -2.290 1.00 0.51 H new ATOM 0 HB VAL A 21 1.541 -0.689 -3.388 1.00 0.52 H new ATOM 0 HG11 VAL A 21 1.632 -2.970 -4.357 1.00 0.52 H new ATOM 0 HG12 VAL A 21 1.661 -2.996 -2.578 1.00 0.52 H new ATOM 0 HG13 VAL A 21 0.163 -3.400 -3.450 1.00 0.52 H new ATOM 0 HG21 VAL A 21 0.436 -1.251 -5.576 1.00 0.55 H new ATOM 0 HG22 VAL A 21 -1.078 -1.587 -4.702 1.00 0.55 H new ATOM 0 HG23 VAL A 21 -0.412 0.063 -4.727 1.00 0.55 H new ATOM 360 N LEU A 22 1.504 -1.026 -0.391 1.00 0.43 N ATOM 361 CA LEU A 22 2.125 -1.488 0.835 1.00 0.39 C ATOM 362 C LEU A 22 1.119 -1.375 1.989 1.00 0.40 C ATOM 363 O LEU A 22 0.913 -2.332 2.732 1.00 0.37 O ATOM 364 CB LEU A 22 3.453 -0.719 1.006 1.00 0.38 C ATOM 365 CG LEU A 22 3.808 -0.313 2.435 1.00 0.38 C ATOM 366 CD1 LEU A 22 4.169 -1.523 3.305 1.00 0.37 C ATOM 367 CD2 LEU A 22 4.987 0.667 2.436 1.00 0.40 C ATOM 0 H LEU A 22 1.993 -0.243 -0.826 1.00 0.43 H new ATOM 0 HA LEU A 22 2.390 -2.545 0.815 1.00 0.39 H new ATOM 0 HB2 LEU A 22 4.261 -1.336 0.612 1.00 0.38 H new ATOM 0 HB3 LEU A 22 3.411 0.181 0.393 1.00 0.38 H new ATOM 0 HG LEU A 22 2.923 0.164 2.856 1.00 0.38 H new ATOM 0 HD11 LEU A 22 4.414 -1.187 4.312 1.00 0.37 H new ATOM 0 HD12 LEU A 22 3.321 -2.207 3.347 1.00 0.37 H new ATOM 0 HD13 LEU A 22 5.029 -2.037 2.875 1.00 0.37 H new ATOM 0 HD21 LEU A 22 5.227 0.946 3.462 1.00 0.40 H new ATOM 0 HD22 LEU A 22 5.854 0.193 1.976 1.00 0.40 H new ATOM 0 HD23 LEU A 22 4.719 1.559 1.870 1.00 0.40 H new ATOM 379 N VAL A 23 0.450 -0.231 2.129 1.00 0.46 N ATOM 380 CA VAL A 23 -0.519 0.003 3.171 1.00 0.48 C ATOM 381 C VAL A 23 -1.680 -0.981 3.034 1.00 0.48 C ATOM 382 O VAL A 23 -2.142 -1.533 4.031 1.00 0.46 O ATOM 383 CB VAL A 23 -0.923 1.483 3.088 1.00 0.55 C ATOM 384 CG1 VAL A 23 -2.230 1.754 3.816 1.00 0.61 C ATOM 385 CG2 VAL A 23 0.184 2.367 3.677 1.00 0.54 C ATOM 0 H VAL A 23 0.577 0.566 1.505 1.00 0.46 H new ATOM 0 HA VAL A 23 -0.116 -0.178 4.167 1.00 0.48 H new ATOM 0 HB VAL A 23 -1.066 1.723 2.034 1.00 0.55 H new ATOM 0 HG11 VAL A 23 -2.480 2.812 3.733 1.00 0.61 H new ATOM 0 HG12 VAL A 23 -3.026 1.157 3.370 1.00 0.61 H new ATOM 0 HG13 VAL A 23 -2.123 1.488 4.868 1.00 0.61 H new ATOM 0 HG21 VAL A 23 -0.113 3.414 3.613 1.00 0.54 H new ATOM 0 HG22 VAL A 23 0.346 2.099 4.721 1.00 0.54 H new ATOM 0 HG23 VAL A 23 1.107 2.217 3.116 1.00 0.54 H new ATOM 395 N VAL A 24 -2.140 -1.249 1.813 1.00 0.50 N ATOM 396 CA VAL A 24 -3.156 -2.220 1.555 1.00 0.50 C ATOM 397 C VAL A 24 -2.662 -3.608 1.961 1.00 0.42 C ATOM 398 O VAL A 24 -3.382 -4.321 2.647 1.00 0.36 O ATOM 399 CB VAL A 24 -3.553 -2.066 0.081 1.00 0.57 C ATOM 400 CG1 VAL A 24 -4.187 -3.328 -0.467 1.00 0.58 C ATOM 401 CG2 VAL A 24 -4.512 -0.880 -0.085 1.00 0.66 C ATOM 0 H VAL A 24 -1.800 -0.780 0.974 1.00 0.50 H new ATOM 0 HA VAL A 24 -4.056 -2.071 2.152 1.00 0.50 H new ATOM 0 HB VAL A 24 -2.642 -1.880 -0.488 1.00 0.57 H new ATOM 0 HG11 VAL A 24 -4.453 -3.177 -1.513 1.00 0.58 H new ATOM 0 HG12 VAL A 24 -3.480 -4.154 -0.388 1.00 0.58 H new ATOM 0 HG13 VAL A 24 -5.084 -3.563 0.106 1.00 0.58 H new ATOM 0 HG21 VAL A 24 -4.788 -0.779 -1.135 1.00 0.66 H new ATOM 0 HG22 VAL A 24 -5.409 -1.051 0.511 1.00 0.66 H new ATOM 0 HG23 VAL A 24 -4.022 0.034 0.251 1.00 0.66 H new ATOM 411 N VAL A 25 -1.439 -3.997 1.599 1.00 0.41 N ATOM 412 CA VAL A 25 -0.839 -5.233 2.051 1.00 0.34 C ATOM 413 C VAL A 25 -0.805 -5.297 3.577 1.00 0.29 C ATOM 414 O VAL A 25 -1.079 -6.350 4.147 1.00 0.24 O ATOM 415 CB VAL A 25 0.535 -5.412 1.383 1.00 0.36 C ATOM 416 CG1 VAL A 25 1.576 -6.093 2.272 1.00 0.29 C ATOM 417 CG2 VAL A 25 0.333 -6.248 0.118 1.00 0.44 C ATOM 0 H VAL A 25 -0.840 -3.452 0.979 1.00 0.41 H new ATOM 0 HA VAL A 25 -1.450 -6.082 1.744 1.00 0.34 H new ATOM 0 HB VAL A 25 0.926 -4.417 1.169 1.00 0.36 H new ATOM 0 HG11 VAL A 25 2.517 -6.182 1.728 1.00 0.29 H new ATOM 0 HG12 VAL A 25 1.732 -5.498 3.172 1.00 0.29 H new ATOM 0 HG13 VAL A 25 1.223 -7.086 2.551 1.00 0.29 H new ATOM 0 HG21 VAL A 25 1.292 -6.393 -0.379 1.00 0.44 H new ATOM 0 HG22 VAL A 25 -0.087 -7.218 0.386 1.00 0.44 H new ATOM 0 HG23 VAL A 25 -0.350 -5.730 -0.555 1.00 0.44 H new ATOM 427 N VAL A 26 -0.498 -4.185 4.245 1.00 0.31 N ATOM 428 CA VAL A 26 -0.489 -4.144 5.701 1.00 0.30 C ATOM 429 C VAL A 26 -1.912 -4.406 6.199 1.00 0.27 C ATOM 430 O VAL A 26 -2.113 -5.257 7.064 1.00 0.24 O ATOM 431 CB VAL A 26 0.115 -2.823 6.204 1.00 0.37 C ATOM 432 CG1 VAL A 26 -0.338 -2.437 7.618 1.00 0.41 C ATOM 433 CG2 VAL A 26 1.646 -2.876 6.136 1.00 0.38 C ATOM 0 H VAL A 26 -0.253 -3.302 3.798 1.00 0.31 H new ATOM 0 HA VAL A 26 0.153 -4.924 6.111 1.00 0.30 H new ATOM 0 HB VAL A 26 -0.260 -2.046 5.538 1.00 0.37 H new ATOM 0 HG11 VAL A 26 0.129 -1.495 7.905 1.00 0.41 H new ATOM 0 HG12 VAL A 26 -1.422 -2.325 7.635 1.00 0.41 H new ATOM 0 HG13 VAL A 26 -0.043 -3.217 8.320 1.00 0.41 H new ATOM 0 HG21 VAL A 26 2.059 -1.933 6.495 1.00 0.38 H new ATOM 0 HG22 VAL A 26 2.010 -3.693 6.759 1.00 0.38 H new ATOM 0 HG23 VAL A 26 1.959 -3.039 5.105 1.00 0.38 H new ATOM 443 N ILE A 27 -2.905 -3.711 5.635 1.00 0.34 N ATOM 444 CA ILE A 27 -4.295 -3.863 6.022 1.00 0.35 C ATOM 445 C ILE A 27 -4.721 -5.319 5.797 1.00 0.24 C ATOM 446 O ILE A 27 -5.400 -5.915 6.629 1.00 0.20 O ATOM 447 CB ILE A 27 -5.150 -2.845 5.247 1.00 0.46 C ATOM 448 CG1 ILE A 27 -5.095 -1.494 5.983 1.00 0.57 C ATOM 449 CG2 ILE A 27 -6.615 -3.290 5.107 1.00 0.46 C ATOM 450 CD1 ILE A 27 -5.473 -0.318 5.076 1.00 0.69 C ATOM 0 H ILE A 27 -2.757 -3.026 4.894 1.00 0.34 H new ATOM 0 HA ILE A 27 -4.439 -3.651 7.082 1.00 0.35 H new ATOM 0 HB ILE A 27 -4.741 -2.762 4.240 1.00 0.46 H new ATOM 0 HG12 ILE A 27 -5.771 -1.522 6.838 1.00 0.57 H new ATOM 0 HG13 ILE A 27 -4.090 -1.338 6.376 1.00 0.57 H new ATOM 0 HG21 ILE A 27 -7.173 -2.536 4.552 1.00 0.46 H new ATOM 0 HG22 ILE A 27 -6.658 -4.239 4.572 1.00 0.46 H new ATOM 0 HG23 ILE A 27 -7.055 -3.411 6.097 1.00 0.46 H new ATOM 0 HD11 ILE A 27 -5.418 0.611 5.643 1.00 0.69 H new ATOM 0 HD12 ILE A 27 -4.782 -0.271 4.235 1.00 0.69 H new ATOM 0 HD13 ILE A 27 -6.488 -0.457 4.704 1.00 0.69 H new ATOM 462 N VAL A 28 -4.312 -5.902 4.668 1.00 0.26 N ATOM 463 CA VAL A 28 -4.664 -7.263 4.305 1.00 0.26 C ATOM 464 C VAL A 28 -4.037 -8.227 5.308 1.00 0.20 C ATOM 465 O VAL A 28 -4.734 -9.070 5.862 1.00 0.25 O ATOM 466 CB VAL A 28 -4.265 -7.540 2.846 1.00 0.37 C ATOM 467 CG1 VAL A 28 -4.271 -9.037 2.520 1.00 0.44 C ATOM 468 CG2 VAL A 28 -5.244 -6.837 1.896 1.00 0.46 C ATOM 0 H VAL A 28 -3.723 -5.433 3.980 1.00 0.26 H new ATOM 0 HA VAL A 28 -5.743 -7.411 4.354 1.00 0.26 H new ATOM 0 HB VAL A 28 -3.252 -7.159 2.715 1.00 0.37 H new ATOM 0 HG11 VAL A 28 -3.983 -9.184 1.479 1.00 0.44 H new ATOM 0 HG12 VAL A 28 -3.563 -9.553 3.169 1.00 0.44 H new ATOM 0 HG13 VAL A 28 -5.271 -9.440 2.680 1.00 0.44 H new ATOM 0 HG21 VAL A 28 -4.956 -7.037 0.864 1.00 0.46 H new ATOM 0 HG22 VAL A 28 -6.253 -7.212 2.071 1.00 0.46 H new ATOM 0 HG23 VAL A 28 -5.219 -5.763 2.078 1.00 0.46 H new ATOM 478 N GLY A 29 -2.736 -8.094 5.571 1.00 0.19 N ATOM 479 CA GLY A 29 -2.065 -8.866 6.606 1.00 0.20 C ATOM 480 C GLY A 29 -2.795 -8.759 7.946 1.00 0.23 C ATOM 481 O GLY A 29 -3.034 -9.770 8.605 1.00 0.32 O ATOM 0 H GLY A 29 -2.124 -7.449 5.072 1.00 0.19 H new ATOM 0 HA2 GLY A 29 -2.009 -9.912 6.303 1.00 0.20 H new ATOM 0 HA3 GLY A 29 -1.040 -8.512 6.719 1.00 0.20 H new ATOM 485 N ALA A 30 -3.169 -7.540 8.338 1.00 0.24 N ATOM 486 CA ALA A 30 -3.890 -7.298 9.580 1.00 0.37 C ATOM 487 C ALA A 30 -5.221 -8.067 9.591 1.00 0.44 C ATOM 488 O ALA A 30 -5.491 -8.864 10.490 1.00 0.73 O ATOM 489 CB ALA A 30 -4.069 -5.792 9.789 1.00 0.43 C ATOM 0 H ALA A 30 -2.978 -6.695 7.800 1.00 0.24 H new ATOM 0 HA ALA A 30 -3.310 -7.675 10.423 1.00 0.37 H new ATOM 0 HB1 ALA A 30 -4.609 -5.615 10.719 1.00 0.43 H new ATOM 0 HB2 ALA A 30 -3.091 -5.313 9.840 1.00 0.43 H new ATOM 0 HB3 ALA A 30 -4.635 -5.374 8.956 1.00 0.43 H new ATOM 495 N LEU A 31 -6.020 -7.919 8.533 1.00 0.30 N ATOM 496 CA LEU A 31 -7.258 -8.637 8.351 1.00 0.38 C ATOM 497 C LEU A 31 -6.998 -10.149 8.459 1.00 0.50 C ATOM 498 O LEU A 31 -7.726 -10.851 9.157 1.00 0.76 O ATOM 499 CB LEU A 31 -7.851 -8.133 7.024 1.00 0.32 C ATOM 500 CG LEU A 31 -8.802 -9.118 6.369 1.00 0.50 C ATOM 501 CD1 LEU A 31 -10.081 -9.338 7.187 1.00 0.66 C ATOM 502 CD2 LEU A 31 -9.158 -8.661 4.950 1.00 0.56 C ATOM 0 H LEU A 31 -5.809 -7.279 7.768 1.00 0.30 H new ATOM 0 HA LEU A 31 -8.003 -8.454 9.125 1.00 0.38 H new ATOM 0 HB2 LEU A 31 -8.379 -7.197 7.204 1.00 0.32 H new ATOM 0 HB3 LEU A 31 -7.037 -7.912 6.333 1.00 0.32 H new ATOM 0 HG LEU A 31 -8.280 -10.074 6.323 1.00 0.50 H new ATOM 0 HD11 LEU A 31 -10.724 -10.051 6.672 1.00 0.66 H new ATOM 0 HD12 LEU A 31 -9.821 -9.729 8.171 1.00 0.66 H new ATOM 0 HD13 LEU A 31 -10.608 -8.391 7.301 1.00 0.66 H new ATOM 0 HD21 LEU A 31 -9.841 -9.380 4.497 1.00 0.56 H new ATOM 0 HD22 LEU A 31 -9.637 -7.683 4.992 1.00 0.56 H new ATOM 0 HD23 LEU A 31 -8.250 -8.595 4.350 1.00 0.56 H new ATOM 514 N LEU A 32 -5.960 -10.659 7.788 1.00 0.40 N ATOM 515 CA LEU A 32 -5.641 -12.079 7.801 1.00 0.57 C ATOM 516 C LEU A 32 -5.277 -12.560 9.207 1.00 0.60 C ATOM 517 O LEU A 32 -5.750 -13.617 9.619 1.00 0.75 O ATOM 518 CB LEU A 32 -4.525 -12.396 6.795 1.00 0.68 C ATOM 519 CG LEU A 32 -4.979 -12.292 5.327 1.00 1.14 C ATOM 520 CD1 LEU A 32 -3.749 -12.261 4.414 1.00 1.85 C ATOM 521 CD2 LEU A 32 -5.869 -13.473 4.917 1.00 1.60 C ATOM 0 H LEU A 32 -5.323 -10.096 7.224 1.00 0.40 H new ATOM 0 HA LEU A 32 -6.534 -12.624 7.496 1.00 0.57 H new ATOM 0 HB2 LEU A 32 -3.692 -11.712 6.960 1.00 0.68 H new ATOM 0 HB3 LEU A 32 -4.152 -13.403 6.982 1.00 0.68 H new ATOM 0 HG LEU A 32 -5.560 -11.375 5.226 1.00 1.14 H new ATOM 0 HD11 LEU A 32 -4.069 -12.187 3.375 1.00 1.85 H new ATOM 0 HD12 LEU A 32 -3.131 -11.399 4.665 1.00 1.85 H new ATOM 0 HD13 LEU A 32 -3.171 -13.175 4.552 1.00 1.85 H new ATOM 0 HD21 LEU A 32 -6.167 -13.360 3.875 1.00 1.60 H new ATOM 0 HD22 LEU A 32 -5.316 -14.404 5.037 1.00 1.60 H new ATOM 0 HD23 LEU A 32 -6.758 -13.495 5.548 1.00 1.60 H new ATOM 533 N MET A 33 -4.438 -11.821 9.946 1.00 0.53 N ATOM 534 CA MET A 33 -4.095 -12.230 11.305 1.00 0.73 C ATOM 535 C MET A 33 -5.327 -12.161 12.214 1.00 0.85 C ATOM 536 O MET A 33 -5.485 -13.002 13.097 1.00 1.18 O ATOM 537 CB MET A 33 -2.871 -11.476 11.859 1.00 0.84 C ATOM 538 CG MET A 33 -3.173 -10.076 12.400 1.00 1.85 C ATOM 539 SD MET A 33 -1.770 -9.181 13.103 1.00 2.53 S ATOM 540 CE MET A 33 -2.602 -7.661 13.616 1.00 4.33 C ATOM 0 H MET A 33 -3.996 -10.958 9.631 1.00 0.53 H new ATOM 0 HA MET A 33 -3.782 -13.274 11.277 1.00 0.73 H new ATOM 0 HB2 MET A 33 -2.425 -12.071 12.657 1.00 0.84 H new ATOM 0 HB3 MET A 33 -2.125 -11.392 11.069 1.00 0.84 H new ATOM 0 HG2 MET A 33 -3.592 -9.478 11.591 1.00 1.85 H new ATOM 0 HG3 MET A 33 -3.944 -10.162 13.165 1.00 1.85 H new ATOM 0 HE1 MET A 33 -1.878 -6.987 14.075 1.00 4.33 H new ATOM 0 HE2 MET A 33 -3.047 -7.178 12.746 1.00 4.33 H new ATOM 0 HE3 MET A 33 -3.384 -7.900 14.337 1.00 4.33 H new ATOM 550 N GLY A 34 -6.204 -11.172 12.004 1.00 0.72 N ATOM 551 CA GLY A 34 -7.464 -11.095 12.728 1.00 1.06 C ATOM 552 C GLY A 34 -8.220 -9.799 12.449 1.00 1.83 C ATOM 553 O GLY A 34 -9.429 -9.825 12.222 1.00 3.23 O ATOM 0 H GLY A 34 -6.057 -10.416 11.336 1.00 0.72 H new ATOM 0 HA2 GLY A 34 -8.090 -11.944 12.452 1.00 1.06 H new ATOM 0 HA3 GLY A 34 -7.270 -11.176 13.798 1.00 1.06 H new ATOM 557 N LEU A 35 -7.524 -8.666 12.521 1.00 2.42 N ATOM 558 CA LEU A 35 -8.066 -7.327 12.390 1.00 4.03 C ATOM 559 C LEU A 35 -6.849 -6.443 12.141 1.00 5.30 C ATOM 560 O LEU A 35 -6.891 -5.663 11.193 1.00 6.19 O ATOM 561 CB LEU A 35 -8.813 -6.950 13.682 1.00 4.84 C ATOM 562 CG LEU A 35 -9.472 -5.558 13.734 1.00 5.97 C ATOM 563 CD1 LEU A 35 -8.476 -4.415 13.972 1.00 7.21 C ATOM 564 CD2 LEU A 35 -10.334 -5.274 12.499 1.00 6.45 C ATOM 565 OXT LEU A 35 -5.797 -6.776 12.692 1.00 6.01 O ATOM 0 H LEU A 35 -6.517 -8.664 12.680 1.00 2.42 H new ATOM 0 HA LEU A 35 -8.790 -7.223 11.582 1.00 4.03 H new ATOM 0 HB2 LEU A 35 -9.588 -7.697 13.855 1.00 4.84 H new ATOM 0 HB3 LEU A 35 -8.110 -7.022 14.512 1.00 4.84 H new ATOM 0 HG LEU A 35 -10.126 -5.592 14.605 1.00 5.97 H new ATOM 0 HD11 LEU A 35 -9.011 -3.466 13.997 1.00 7.21 H new ATOM 0 HD12 LEU A 35 -7.966 -4.569 14.923 1.00 7.21 H new ATOM 0 HD13 LEU A 35 -7.743 -4.398 13.166 1.00 7.21 H new ATOM 0 HD21 LEU A 35 -10.776 -4.281 12.584 1.00 6.45 H new ATOM 0 HD22 LEU A 35 -9.714 -5.319 11.604 1.00 6.45 H new ATOM 0 HD23 LEU A 35 -11.126 -6.019 12.429 1.00 6.45 H new TER 577 LEU A 35