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 Set 1.1: A 5 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 6 CYS SG : rot 180:sc= 0 USER MOD Single : A 1 LEU N :NH3+ 143:sc= 0.185 (180deg=0.00527) USER MOD Single : A 9 ASN : amide:sc=-0.00139 K(o=-0.0014,f=-3.8!) USER MOD Single : A 11 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00501) USER MOD Single : A 33 MET CE :methyl -168:sc= -0.0142 (180deg=-0.226) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -1.893 9.622 -28.142 1.00 21.06 N ATOM 2 CA LEU A 1 -0.599 9.852 -27.475 1.00 19.41 C ATOM 3 C LEU A 1 -0.744 11.181 -26.739 1.00 18.75 C ATOM 4 O LEU A 1 -1.469 12.031 -27.250 1.00 19.62 O ATOM 5 CB LEU A 1 0.522 9.848 -28.535 1.00 19.09 C ATOM 6 CG LEU A 1 1.986 9.913 -28.059 1.00 18.30 C ATOM 7 CD1 LEU A 1 2.468 11.345 -27.809 1.00 17.74 C ATOM 8 CD2 LEU A 1 2.278 9.006 -26.858 1.00 18.02 C ATOM 0 H1 LEU A 1 -1.732 9.180 -29.069 1.00 21.06 H new ATOM 0 H2 LEU A 1 -2.479 8.994 -27.556 1.00 21.06 H new ATOM 0 H3 LEU A 1 -2.383 10.530 -28.272 1.00 21.06 H new ATOM 0 HA LEU A 1 -0.330 9.076 -26.759 1.00 19.41 H new ATOM 0 HB2 LEU A 1 0.408 8.944 -29.134 1.00 19.09 H new ATOM 0 HB3 LEU A 1 0.352 10.695 -29.200 1.00 19.09 H new ATOM 0 HG LEU A 1 2.568 9.519 -28.893 1.00 18.30 H new ATOM 0 HD11 LEU A 1 3.506 11.327 -27.476 1.00 17.74 H new ATOM 0 HD12 LEU A 1 2.393 11.920 -28.732 1.00 17.74 H new ATOM 0 HD13 LEU A 1 1.849 11.809 -27.041 1.00 17.74 H new ATOM 0 HD21 LEU A 1 3.327 9.102 -26.576 1.00 18.02 H new ATOM 0 HD22 LEU A 1 1.648 9.300 -26.018 1.00 18.02 H new ATOM 0 HD23 LEU A 1 2.067 7.970 -27.124 1.00 18.02 H new ATOM 22 N ARG A 2 -0.156 11.337 -25.549 1.00 17.52 N ATOM 23 CA ARG A 2 -0.140 12.579 -24.788 1.00 16.91 C ATOM 24 C ARG A 2 1.313 12.835 -24.392 1.00 15.01 C ATOM 25 O ARG A 2 2.051 11.876 -24.177 1.00 14.36 O ATOM 26 CB ARG A 2 -1.021 12.456 -23.535 1.00 17.73 C ATOM 27 CG ARG A 2 -2.498 12.224 -23.885 1.00 19.36 C ATOM 28 CD ARG A 2 -3.377 12.162 -22.627 1.00 20.37 C ATOM 29 NE ARG A 2 -3.448 13.464 -21.941 1.00 20.41 N ATOM 30 CZ ARG A 2 -4.135 13.702 -20.810 1.00 21.09 C ATOM 31 NH1 ARG A 2 -4.812 12.710 -20.222 1.00 21.74 N ATOM 32 NH2 ARG A 2 -4.140 14.928 -20.273 1.00 21.32 N ATOM 0 H ARG A 2 0.335 10.577 -25.079 1.00 17.52 H new ATOM 0 HA ARG A 2 -0.535 13.403 -25.383 1.00 16.91 H new ATOM 0 HB2 ARG A 2 -0.661 11.631 -22.920 1.00 17.73 H new ATOM 0 HB3 ARG A 2 -0.929 13.363 -22.938 1.00 17.73 H new ATOM 0 HG2 ARG A 2 -2.848 13.026 -24.535 1.00 19.36 H new ATOM 0 HG3 ARG A 2 -2.598 11.294 -24.445 1.00 19.36 H new ATOM 0 HD2 ARG A 2 -4.382 11.841 -22.902 1.00 20.37 H new ATOM 0 HD3 ARG A 2 -2.979 11.413 -21.943 1.00 20.37 H new ATOM 0 HE ARG A 2 -2.937 14.244 -22.355 1.00 20.41 H new ATOM 0 HH11 ARG A 2 -4.806 11.776 -20.632 1.00 21.74 H new ATOM 0 HH12 ARG A 2 -5.334 12.887 -19.364 1.00 21.74 H new ATOM 0 HH21 ARG A 2 -3.622 15.683 -20.722 1.00 21.32 H new ATOM 0 HH22 ARG A 2 -4.662 15.107 -19.415 1.00 21.32 H new ATOM 46 N ILE A 3 1.716 14.106 -24.313 1.00 14.43 N ATOM 47 CA ILE A 3 3.085 14.532 -24.078 1.00 12.89 C ATOM 48 C ILE A 3 3.178 15.340 -22.773 1.00 11.44 C ATOM 49 O ILE A 3 3.362 16.556 -22.814 1.00 11.19 O ATOM 50 CB ILE A 3 3.561 15.332 -25.308 1.00 13.62 C ATOM 51 CG1 ILE A 3 2.538 16.384 -25.788 1.00 15.07 C ATOM 52 CG2 ILE A 3 3.900 14.371 -26.456 1.00 14.42 C ATOM 53 CD1 ILE A 3 3.154 17.396 -26.757 1.00 15.67 C ATOM 0 H ILE A 3 1.070 14.889 -24.415 1.00 14.43 H new ATOM 0 HA ILE A 3 3.742 13.671 -23.951 1.00 12.89 H new ATOM 0 HB ILE A 3 4.450 15.881 -24.998 1.00 13.62 H new ATOM 0 HG12 ILE A 3 1.704 15.880 -26.275 1.00 15.07 H new ATOM 0 HG13 ILE A 3 2.132 16.912 -24.925 1.00 15.07 H new ATOM 0 HG21 ILE A 3 4.235 14.942 -27.322 1.00 14.42 H new ATOM 0 HG22 ILE A 3 4.692 13.692 -26.140 1.00 14.42 H new ATOM 0 HG23 ILE A 3 3.014 13.795 -26.722 1.00 14.42 H new ATOM 0 HD11 ILE A 3 2.394 18.114 -27.065 1.00 15.67 H new ATOM 0 HD12 ILE A 3 3.971 17.922 -26.263 1.00 15.67 H new ATOM 0 HD13 ILE A 3 3.536 16.874 -27.634 1.00 15.67 H new ATOM 65 N PRO A 4 3.044 14.707 -21.597 1.00 10.83 N ATOM 66 CA PRO A 4 3.230 15.408 -20.339 1.00 9.79 C ATOM 67 C PRO A 4 4.695 15.836 -20.218 1.00 8.41 C ATOM 68 O PRO A 4 5.594 15.024 -20.419 1.00 8.09 O ATOM 69 CB PRO A 4 2.829 14.411 -19.249 1.00 10.16 C ATOM 70 CG PRO A 4 3.116 13.052 -19.888 1.00 10.69 C ATOM 71 CD PRO A 4 2.817 13.288 -21.371 1.00 11.50 C ATOM 0 HA PRO A 4 2.629 16.314 -20.259 1.00 9.79 H new ATOM 0 HB2 PRO A 4 3.409 14.557 -18.338 1.00 10.16 H new ATOM 0 HB3 PRO A 4 1.778 14.513 -18.978 1.00 10.16 H new ATOM 0 HG2 PRO A 4 4.150 12.744 -19.730 1.00 10.69 H new ATOM 0 HG3 PRO A 4 2.483 12.269 -19.470 1.00 10.69 H new ATOM 0 HD2 PRO A 4 3.467 12.682 -22.003 1.00 11.50 H new ATOM 0 HD3 PRO A 4 1.790 13.012 -21.612 1.00 11.50 H new ATOM 79 N CYS A 5 4.934 17.100 -19.856 1.00 8.05 N ATOM 80 CA CYS A 5 6.279 17.660 -19.695 1.00 7.28 C ATOM 81 C CYS A 5 6.645 17.785 -18.212 1.00 6.13 C ATOM 82 O CYS A 5 7.612 18.456 -17.857 1.00 5.88 O ATOM 83 CB CYS A 5 6.375 19.025 -20.390 1.00 8.35 C ATOM 84 SG CYS A 5 5.483 20.286 -19.442 1.00 9.49 S ATOM 0 H CYS A 5 4.190 17.771 -19.664 1.00 8.05 H new ATOM 0 HA CYS A 5 6.991 16.980 -20.163 1.00 7.28 H new ATOM 0 HB2 CYS A 5 7.421 19.313 -20.495 1.00 8.35 H new ATOM 0 HB3 CYS A 5 5.961 18.957 -21.396 1.00 8.35 H new ATOM 0 HG CYS A 5 5.579 21.433 -20.047 1.00 9.49 H new ATOM 90 N CYS A 6 5.886 17.106 -17.346 1.00 5.96 N ATOM 91 CA CYS A 6 6.011 17.167 -15.898 1.00 5.49 C ATOM 92 C CYS A 6 6.515 15.814 -15.395 1.00 4.08 C ATOM 93 O CYS A 6 5.698 14.974 -15.028 1.00 3.78 O ATOM 94 CB CYS A 6 4.639 17.486 -15.282 1.00 7.02 C ATOM 95 SG CYS A 6 4.117 19.165 -15.708 1.00 7.99 S ATOM 0 H CYS A 6 5.143 16.478 -17.652 1.00 5.96 H new ATOM 0 HA CYS A 6 6.715 17.948 -15.610 1.00 5.49 H new ATOM 0 HB2 CYS A 6 3.900 16.769 -15.639 1.00 7.02 H new ATOM 0 HB3 CYS A 6 4.689 17.380 -14.198 1.00 7.02 H new ATOM 0 HG CYS A 6 2.955 19.406 -15.177 1.00 7.99 H new ATOM 101 N PRO A 7 7.833 15.552 -15.375 1.00 3.63 N ATOM 102 CA PRO A 7 8.356 14.342 -14.762 1.00 2.73 C ATOM 103 C PRO A 7 8.115 14.394 -13.252 1.00 2.22 C ATOM 104 O PRO A 7 7.608 13.450 -12.646 1.00 2.63 O ATOM 105 CB PRO A 7 9.843 14.302 -15.127 1.00 3.47 C ATOM 106 CG PRO A 7 10.206 15.765 -15.389 1.00 4.45 C ATOM 107 CD PRO A 7 8.905 16.373 -15.917 1.00 4.58 C ATOM 0 HA PRO A 7 7.866 13.435 -15.115 1.00 2.73 H new ATOM 0 HB2 PRO A 7 10.440 13.883 -14.318 1.00 3.47 H new ATOM 0 HB3 PRO A 7 10.020 13.684 -16.007 1.00 3.47 H new ATOM 0 HG2 PRO A 7 10.541 16.264 -14.479 1.00 4.45 H new ATOM 0 HG3 PRO A 7 11.013 15.853 -16.116 1.00 4.45 H new ATOM 0 HD2 PRO A 7 8.801 17.410 -15.599 1.00 4.58 H new ATOM 0 HD3 PRO A 7 8.886 16.370 -17.007 1.00 4.58 H new ATOM 115 N VAL A 8 8.448 15.530 -12.638 1.00 2.02 N ATOM 116 CA VAL A 8 8.073 15.797 -11.260 1.00 1.76 C ATOM 117 C VAL A 8 6.545 15.817 -11.172 1.00 1.79 C ATOM 118 O VAL A 8 5.845 15.969 -12.171 1.00 2.87 O ATOM 119 CB VAL A 8 8.703 17.110 -10.759 1.00 2.40 C ATOM 120 CG1 VAL A 8 8.550 17.292 -9.241 1.00 3.39 C ATOM 121 CG2 VAL A 8 10.200 17.183 -11.099 1.00 3.01 C ATOM 0 H VAL A 8 8.979 16.280 -13.081 1.00 2.02 H new ATOM 0 HA VAL A 8 8.455 15.011 -10.608 1.00 1.76 H new ATOM 0 HB VAL A 8 8.163 17.906 -11.271 1.00 2.40 H new ATOM 0 HG11 VAL A 8 9.011 18.233 -8.939 1.00 3.39 H new ATOM 0 HG12 VAL A 8 7.492 17.307 -8.981 1.00 3.39 H new ATOM 0 HG13 VAL A 8 9.039 16.466 -8.724 1.00 3.39 H new ATOM 0 HG21 VAL A 8 10.611 18.123 -10.731 1.00 3.01 H new ATOM 0 HG22 VAL A 8 10.721 16.349 -10.628 1.00 3.01 H new ATOM 0 HG23 VAL A 8 10.331 17.129 -12.180 1.00 3.01 H new ATOM 131 N ASN A 9 6.022 15.597 -9.970 1.00 1.34 N ATOM 132 CA ASN A 9 4.602 15.436 -9.671 1.00 1.26 C ATOM 133 C ASN A 9 3.995 14.139 -10.206 1.00 1.19 C ATOM 134 O ASN A 9 3.149 13.564 -9.518 1.00 1.54 O ATOM 135 CB ASN A 9 3.751 16.663 -10.032 1.00 1.44 C ATOM 136 CG ASN A 9 4.011 17.810 -9.066 1.00 2.55 C ATOM 137 OD1 ASN A 9 3.516 17.789 -7.942 1.00 3.38 O ATOM 138 ND2 ASN A 9 4.794 18.801 -9.478 1.00 3.75 N ATOM 0 H ASN A 9 6.605 15.522 -9.136 1.00 1.34 H new ATOM 0 HA ASN A 9 4.572 15.353 -8.585 1.00 1.26 H new ATOM 0 HB2 ASN A 9 3.978 16.981 -11.049 1.00 1.44 H new ATOM 0 HB3 ASN A 9 2.694 16.397 -10.010 1.00 1.44 H new ATOM 0 HD21 ASN A 9 5.002 19.580 -8.853 1.00 3.75 H new ATOM 0 HD22 ASN A 9 5.187 18.783 -10.419 1.00 3.75 H new ATOM 145 N LEU A 10 4.428 13.660 -11.373 1.00 1.05 N ATOM 146 CA LEU A 10 4.060 12.346 -11.889 1.00 1.01 C ATOM 147 C LEU A 10 4.944 11.263 -11.273 1.00 0.95 C ATOM 148 O LEU A 10 4.421 10.236 -10.851 1.00 0.92 O ATOM 149 CB LEU A 10 4.125 12.326 -13.423 1.00 1.20 C ATOM 150 CG LEU A 10 2.861 12.900 -14.091 1.00 2.28 C ATOM 151 CD1 LEU A 10 2.553 14.344 -13.674 1.00 4.38 C ATOM 152 CD2 LEU A 10 3.006 12.821 -15.615 1.00 2.99 C ATOM 0 H LEU A 10 5.050 14.181 -11.991 1.00 1.05 H new ATOM 0 HA LEU A 10 3.029 12.135 -11.603 1.00 1.01 H new ATOM 0 HB2 LEU A 10 4.993 12.898 -13.751 1.00 1.20 H new ATOM 0 HB3 LEU A 10 4.273 11.300 -13.761 1.00 1.20 H new ATOM 0 HG LEU A 10 2.022 12.293 -13.752 1.00 2.28 H new ATOM 0 HD11 LEU A 10 1.651 14.685 -14.182 1.00 4.38 H new ATOM 0 HD12 LEU A 10 2.401 14.387 -12.596 1.00 4.38 H new ATOM 0 HD13 LEU A 10 3.389 14.988 -13.948 1.00 4.38 H new ATOM 0 HD21 LEU A 10 2.111 13.227 -16.087 1.00 2.99 H new ATOM 0 HD22 LEU A 10 3.876 13.399 -15.928 1.00 2.99 H new ATOM 0 HD23 LEU A 10 3.134 11.781 -15.915 1.00 2.99 H new ATOM 164 N LYS A 11 6.265 11.459 -11.174 1.00 0.93 N ATOM 165 CA LYS A 11 7.136 10.377 -10.717 1.00 0.83 C ATOM 166 C LYS A 11 6.766 9.940 -9.296 1.00 0.59 C ATOM 167 O LYS A 11 6.843 8.762 -8.956 1.00 0.69 O ATOM 168 CB LYS A 11 8.634 10.690 -10.936 1.00 0.86 C ATOM 169 CG LYS A 11 9.488 11.099 -9.723 1.00 2.02 C ATOM 170 CD LYS A 11 9.344 12.589 -9.399 1.00 3.86 C ATOM 171 CE LYS A 11 10.082 12.983 -8.109 1.00 5.29 C ATOM 172 NZ LYS A 11 11.540 12.740 -8.179 1.00 5.39 N ATOM 0 H LYS A 11 6.741 12.333 -11.398 1.00 0.93 H new ATOM 0 HA LYS A 11 6.961 9.504 -11.346 1.00 0.83 H new ATOM 0 HB2 LYS A 11 9.094 9.808 -11.382 1.00 0.86 H new ATOM 0 HB3 LYS A 11 8.700 11.491 -11.672 1.00 0.86 H new ATOM 0 HG2 LYS A 11 9.193 10.509 -8.856 1.00 2.02 H new ATOM 0 HG3 LYS A 11 10.535 10.870 -9.923 1.00 2.02 H new ATOM 0 HD2 LYS A 11 9.732 13.178 -10.230 1.00 3.86 H new ATOM 0 HD3 LYS A 11 8.287 12.836 -9.299 1.00 3.86 H new ATOM 0 HE2 LYS A 11 9.905 14.039 -7.904 1.00 5.29 H new ATOM 0 HE3 LYS A 11 9.665 12.421 -7.273 1.00 5.29 H new ATOM 0 HZ1 LYS A 11 11.987 13.056 -7.295 1.00 5.39 H new ATOM 0 HZ2 LYS A 11 11.717 11.724 -8.313 1.00 5.39 H new ATOM 0 HZ3 LYS A 11 11.942 13.269 -8.979 1.00 5.39 H new ATOM 186 N ARG A 12 6.321 10.895 -8.471 1.00 0.45 N ATOM 187 CA ARG A 12 5.861 10.584 -7.124 1.00 0.39 C ATOM 188 C ARG A 12 4.615 9.693 -7.131 1.00 0.44 C ATOM 189 O ARG A 12 4.377 8.960 -6.177 1.00 0.56 O ATOM 190 CB ARG A 12 5.603 11.863 -6.309 1.00 0.69 C ATOM 191 CG ARG A 12 4.590 12.760 -7.025 1.00 2.15 C ATOM 192 CD ARG A 12 3.950 13.842 -6.154 1.00 2.89 C ATOM 193 NE ARG A 12 2.841 14.454 -6.905 1.00 4.57 N ATOM 194 CZ ARG A 12 2.078 15.478 -6.493 1.00 5.65 C ATOM 195 NH1 ARG A 12 2.299 16.033 -5.296 1.00 5.51 N ATOM 196 NH2 ARG A 12 1.097 15.932 -7.280 1.00 7.37 N ATOM 0 H ARG A 12 6.272 11.884 -8.716 1.00 0.45 H new ATOM 0 HA ARG A 12 6.664 10.025 -6.642 1.00 0.39 H new ATOM 0 HB2 ARG A 12 5.230 11.601 -5.319 1.00 0.69 H new ATOM 0 HB3 ARG A 12 6.538 12.404 -6.164 1.00 0.69 H new ATOM 0 HG2 ARG A 12 5.086 13.241 -7.868 1.00 2.15 H new ATOM 0 HG3 ARG A 12 3.800 12.132 -7.436 1.00 2.15 H new ATOM 0 HD2 ARG A 12 3.583 13.410 -5.223 1.00 2.89 H new ATOM 0 HD3 ARG A 12 4.688 14.598 -5.886 1.00 2.89 H new ATOM 0 HE ARG A 12 2.633 14.063 -7.824 1.00 4.57 H new ATOM 0 HH11 ARG A 12 3.046 15.678 -4.699 1.00 5.51 H new ATOM 0 HH12 ARG A 12 1.721 16.812 -4.980 1.00 5.51 H new ATOM 0 HH21 ARG A 12 0.931 15.500 -8.189 1.00 7.37 H new ATOM 0 HH22 ARG A 12 0.514 16.710 -6.971 1.00 7.37 H new ATOM 210 N LEU A 13 3.814 9.747 -8.197 1.00 0.47 N ATOM 211 CA LEU A 13 2.551 9.029 -8.261 1.00 0.52 C ATOM 212 C LEU A 13 2.833 7.536 -8.199 1.00 0.50 C ATOM 213 O LEU A 13 2.175 6.809 -7.465 1.00 0.54 O ATOM 214 CB LEU A 13 1.753 9.421 -9.505 1.00 0.64 C ATOM 215 CG LEU A 13 0.334 8.830 -9.553 1.00 1.00 C ATOM 216 CD1 LEU A 13 -0.559 9.358 -8.422 1.00 1.87 C ATOM 217 CD2 LEU A 13 -0.303 9.185 -10.901 1.00 2.16 C ATOM 0 H LEU A 13 4.026 10.289 -9.034 1.00 0.47 H new ATOM 0 HA LEU A 13 1.928 9.300 -7.408 1.00 0.52 H new ATOM 0 HB2 LEU A 13 1.684 10.508 -9.552 1.00 0.64 H new ATOM 0 HB3 LEU A 13 2.300 9.098 -10.391 1.00 0.64 H new ATOM 0 HG LEU A 13 0.418 7.750 -9.428 1.00 1.00 H new ATOM 0 HD11 LEU A 13 -1.550 8.910 -8.501 1.00 1.87 H new ATOM 0 HD12 LEU A 13 -0.119 9.098 -7.459 1.00 1.87 H new ATOM 0 HD13 LEU A 13 -0.644 10.442 -8.501 1.00 1.87 H new ATOM 0 HD21 LEU A 13 -1.310 8.771 -10.948 1.00 2.16 H new ATOM 0 HD22 LEU A 13 -0.351 10.269 -11.007 1.00 2.16 H new ATOM 0 HD23 LEU A 13 0.298 8.768 -11.709 1.00 2.16 H new ATOM 229 N LEU A 14 3.848 7.084 -8.936 1.00 0.47 N ATOM 230 CA LEU A 14 4.273 5.695 -8.905 1.00 0.51 C ATOM 231 C LEU A 14 4.628 5.279 -7.472 1.00 0.41 C ATOM 232 O LEU A 14 4.172 4.248 -6.977 1.00 0.43 O ATOM 233 CB LEU A 14 5.448 5.507 -9.882 1.00 0.55 C ATOM 234 CG LEU A 14 5.552 4.104 -10.504 1.00 0.70 C ATOM 235 CD1 LEU A 14 6.748 4.073 -11.463 1.00 2.46 C ATOM 236 CD2 LEU A 14 5.714 2.991 -9.465 1.00 2.20 C ATOM 0 H LEU A 14 4.393 7.672 -9.567 1.00 0.47 H new ATOM 0 HA LEU A 14 3.460 5.044 -9.227 1.00 0.51 H new ATOM 0 HB2 LEU A 14 5.355 6.239 -10.684 1.00 0.55 H new ATOM 0 HB3 LEU A 14 6.378 5.726 -9.357 1.00 0.55 H new ATOM 0 HG LEU A 14 4.615 3.915 -11.028 1.00 0.70 H new ATOM 0 HD11 LEU A 14 6.831 3.082 -11.910 1.00 2.46 H new ATOM 0 HD12 LEU A 14 6.604 4.814 -12.249 1.00 2.46 H new ATOM 0 HD13 LEU A 14 7.661 4.300 -10.913 1.00 2.46 H new ATOM 0 HD21 LEU A 14 5.781 2.028 -9.971 1.00 2.20 H new ATOM 0 HD22 LEU A 14 6.623 3.162 -8.888 1.00 2.20 H new ATOM 0 HD23 LEU A 14 4.854 2.990 -8.796 1.00 2.20 H new ATOM 248 N VAL A 15 5.395 6.119 -6.774 1.00 0.31 N ATOM 249 CA VAL A 15 5.746 5.867 -5.382 1.00 0.28 C ATOM 250 C VAL A 15 4.467 5.764 -4.545 1.00 0.28 C ATOM 251 O VAL A 15 4.308 4.823 -3.771 1.00 0.28 O ATOM 252 CB VAL A 15 6.716 6.938 -4.848 1.00 0.29 C ATOM 253 CG1 VAL A 15 7.166 6.592 -3.422 1.00 0.45 C ATOM 254 CG2 VAL A 15 7.962 7.049 -5.738 1.00 0.31 C ATOM 0 H VAL A 15 5.784 6.981 -7.155 1.00 0.31 H new ATOM 0 HA VAL A 15 6.275 4.917 -5.308 1.00 0.28 H new ATOM 0 HB VAL A 15 6.183 7.889 -4.851 1.00 0.29 H new ATOM 0 HG11 VAL A 15 7.851 7.359 -3.060 1.00 0.45 H new ATOM 0 HG12 VAL A 15 6.296 6.545 -2.767 1.00 0.45 H new ATOM 0 HG13 VAL A 15 7.671 5.626 -3.424 1.00 0.45 H new ATOM 0 HG21 VAL A 15 8.629 7.812 -5.337 1.00 0.31 H new ATOM 0 HG22 VAL A 15 8.480 6.090 -5.760 1.00 0.31 H new ATOM 0 HG23 VAL A 15 7.663 7.323 -6.750 1.00 0.31 H new ATOM 264 N VAL A 16 3.534 6.703 -4.720 1.00 0.34 N ATOM 265 CA VAL A 16 2.254 6.665 -4.030 1.00 0.42 C ATOM 266 C VAL A 16 1.536 5.347 -4.326 1.00 0.45 C ATOM 267 O VAL A 16 1.056 4.713 -3.393 1.00 0.46 O ATOM 268 CB VAL A 16 1.407 7.910 -4.358 1.00 0.52 C ATOM 269 CG1 VAL A 16 -0.028 7.786 -3.826 1.00 0.61 C ATOM 270 CG2 VAL A 16 2.039 9.163 -3.737 1.00 0.56 C ATOM 0 H VAL A 16 3.649 7.504 -5.341 1.00 0.34 H new ATOM 0 HA VAL A 16 2.424 6.699 -2.954 1.00 0.42 H new ATOM 0 HB VAL A 16 1.377 7.991 -5.445 1.00 0.52 H new ATOM 0 HG11 VAL A 16 -0.589 8.685 -4.080 1.00 0.61 H new ATOM 0 HG12 VAL A 16 -0.510 6.919 -4.277 1.00 0.61 H new ATOM 0 HG13 VAL A 16 -0.005 7.666 -2.743 1.00 0.61 H new ATOM 0 HG21 VAL A 16 1.430 10.035 -3.977 1.00 0.56 H new ATOM 0 HG22 VAL A 16 2.093 9.045 -2.655 1.00 0.56 H new ATOM 0 HG23 VAL A 16 3.043 9.301 -4.138 1.00 0.56 H new ATOM 280 N VAL A 17 1.476 4.902 -5.585 1.00 0.49 N ATOM 281 CA VAL A 17 0.858 3.636 -5.929 1.00 0.54 C ATOM 282 C VAL A 17 1.512 2.506 -5.129 1.00 0.46 C ATOM 283 O VAL A 17 0.819 1.726 -4.478 1.00 0.46 O ATOM 284 CB VAL A 17 0.891 3.413 -7.452 1.00 0.62 C ATOM 285 CG1 VAL A 17 0.491 1.981 -7.818 1.00 0.71 C ATOM 286 CG2 VAL A 17 -0.080 4.376 -8.151 1.00 0.71 C ATOM 0 H VAL A 17 1.854 5.412 -6.383 1.00 0.49 H new ATOM 0 HA VAL A 17 -0.196 3.648 -5.652 1.00 0.54 H new ATOM 0 HB VAL A 17 1.914 3.596 -7.782 1.00 0.62 H new ATOM 0 HG11 VAL A 17 0.525 1.859 -8.901 1.00 0.71 H new ATOM 0 HG12 VAL A 17 1.183 1.280 -7.352 1.00 0.71 H new ATOM 0 HG13 VAL A 17 -0.520 1.784 -7.463 1.00 0.71 H new ATOM 0 HG21 VAL A 17 -0.047 4.208 -9.227 1.00 0.71 H new ATOM 0 HG22 VAL A 17 -1.092 4.200 -7.787 1.00 0.71 H new ATOM 0 HG23 VAL A 17 0.209 5.405 -7.935 1.00 0.71 H new ATOM 296 N VAL A 18 2.845 2.427 -5.141 1.00 0.41 N ATOM 297 CA VAL A 18 3.564 1.423 -4.379 1.00 0.38 C ATOM 298 C VAL A 18 3.197 1.498 -2.894 1.00 0.33 C ATOM 299 O VAL A 18 2.918 0.470 -2.277 1.00 0.33 O ATOM 300 CB VAL A 18 5.081 1.530 -4.627 1.00 0.37 C ATOM 301 CG1 VAL A 18 5.877 0.601 -3.700 1.00 0.37 C ATOM 302 CG2 VAL A 18 5.413 1.158 -6.079 1.00 0.45 C ATOM 0 H VAL A 18 3.445 3.055 -5.676 1.00 0.41 H new ATOM 0 HA VAL A 18 3.260 0.435 -4.725 1.00 0.38 H new ATOM 0 HB VAL A 18 5.362 2.563 -4.423 1.00 0.37 H new ATOM 0 HG11 VAL A 18 6.942 0.706 -3.907 1.00 0.37 H new ATOM 0 HG12 VAL A 18 5.681 0.868 -2.662 1.00 0.37 H new ATOM 0 HG13 VAL A 18 5.574 -0.432 -3.873 1.00 0.37 H new ATOM 0 HG21 VAL A 18 6.488 1.238 -6.238 1.00 0.45 H new ATOM 0 HG22 VAL A 18 5.093 0.135 -6.275 1.00 0.45 H new ATOM 0 HG23 VAL A 18 4.894 1.836 -6.756 1.00 0.45 H new ATOM 312 N VAL A 19 3.177 2.701 -2.313 1.00 0.31 N ATOM 313 CA VAL A 19 2.849 2.867 -0.907 1.00 0.30 C ATOM 314 C VAL A 19 1.433 2.356 -0.661 1.00 0.32 C ATOM 315 O VAL A 19 1.213 1.590 0.270 1.00 0.31 O ATOM 316 CB VAL A 19 3.054 4.326 -0.461 1.00 0.31 C ATOM 317 CG1 VAL A 19 2.483 4.578 0.941 1.00 0.35 C ATOM 318 CG2 VAL A 19 4.551 4.665 -0.433 1.00 0.28 C ATOM 0 H VAL A 19 3.386 3.572 -2.802 1.00 0.31 H new ATOM 0 HA VAL A 19 3.526 2.274 -0.293 1.00 0.30 H new ATOM 0 HB VAL A 19 2.528 4.955 -1.179 1.00 0.31 H new ATOM 0 HG11 VAL A 19 2.648 5.619 1.219 1.00 0.35 H new ATOM 0 HG12 VAL A 19 1.414 4.367 0.942 1.00 0.35 H new ATOM 0 HG13 VAL A 19 2.982 3.927 1.659 1.00 0.35 H new ATOM 0 HG21 VAL A 19 4.684 5.699 -0.116 1.00 0.28 H new ATOM 0 HG22 VAL A 19 5.061 4.003 0.267 1.00 0.28 H new ATOM 0 HG23 VAL A 19 4.972 4.534 -1.430 1.00 0.28 H new ATOM 328 N VAL A 20 0.481 2.745 -1.510 1.00 0.37 N ATOM 329 CA VAL A 20 -0.892 2.283 -1.437 1.00 0.41 C ATOM 330 C VAL A 20 -0.936 0.752 -1.455 1.00 0.39 C ATOM 331 O VAL A 20 -1.573 0.151 -0.595 1.00 0.38 O ATOM 332 CB VAL A 20 -1.756 2.933 -2.534 1.00 0.48 C ATOM 333 CG1 VAL A 20 -3.128 2.255 -2.662 1.00 0.55 C ATOM 334 CG2 VAL A 20 -1.990 4.416 -2.213 1.00 0.51 C ATOM 0 H VAL A 20 0.651 3.398 -2.275 1.00 0.37 H new ATOM 0 HA VAL A 20 -1.329 2.600 -0.490 1.00 0.41 H new ATOM 0 HB VAL A 20 -1.213 2.818 -3.472 1.00 0.48 H new ATOM 0 HG11 VAL A 20 -3.704 2.745 -3.447 1.00 0.55 H new ATOM 0 HG12 VAL A 20 -2.992 1.203 -2.914 1.00 0.55 H new ATOM 0 HG13 VAL A 20 -3.663 2.335 -1.716 1.00 0.55 H new ATOM 0 HG21 VAL A 20 -2.602 4.865 -2.995 1.00 0.51 H new ATOM 0 HG22 VAL A 20 -2.503 4.504 -1.255 1.00 0.51 H new ATOM 0 HG23 VAL A 20 -1.032 4.933 -2.160 1.00 0.51 H new ATOM 344 N VAL A 21 -0.249 0.108 -2.402 1.00 0.39 N ATOM 345 CA VAL A 21 -0.208 -1.339 -2.494 1.00 0.37 C ATOM 346 C VAL A 21 0.349 -1.945 -1.203 1.00 0.32 C ATOM 347 O VAL A 21 -0.227 -2.888 -0.663 1.00 0.30 O ATOM 348 CB VAL A 21 0.618 -1.710 -3.733 1.00 0.40 C ATOM 349 CG1 VAL A 21 0.969 -3.195 -3.759 1.00 0.40 C ATOM 350 CG2 VAL A 21 -0.156 -1.375 -5.017 1.00 0.44 C ATOM 0 H VAL A 21 0.293 0.583 -3.124 1.00 0.39 H new ATOM 0 HA VAL A 21 -1.210 -1.752 -2.608 1.00 0.37 H new ATOM 0 HB VAL A 21 1.538 -1.128 -3.681 1.00 0.40 H new ATOM 0 HG11 VAL A 21 1.554 -3.415 -4.652 1.00 0.40 H new ATOM 0 HG12 VAL A 21 1.552 -3.447 -2.873 1.00 0.40 H new ATOM 0 HG13 VAL A 21 0.053 -3.785 -3.771 1.00 0.40 H new ATOM 0 HG21 VAL A 21 0.445 -1.645 -5.885 1.00 0.44 H new ATOM 0 HG22 VAL A 21 -1.091 -1.935 -5.035 1.00 0.44 H new ATOM 0 HG23 VAL A 21 -0.372 -0.307 -5.043 1.00 0.44 H new ATOM 360 N LEU A 22 1.459 -1.406 -0.693 1.00 0.31 N ATOM 361 CA LEU A 22 2.067 -1.863 0.541 1.00 0.28 C ATOM 362 C LEU A 22 1.058 -1.715 1.689 1.00 0.26 C ATOM 363 O LEU A 22 0.842 -2.653 2.453 1.00 0.24 O ATOM 364 CB LEU A 22 3.404 -1.109 0.701 1.00 0.29 C ATOM 365 CG LEU A 22 3.775 -0.708 2.125 1.00 0.32 C ATOM 366 CD1 LEU A 22 4.107 -1.921 3.003 1.00 0.35 C ATOM 367 CD2 LEU A 22 4.984 0.235 2.111 1.00 0.35 C ATOM 0 H LEU A 22 1.959 -0.634 -1.135 1.00 0.31 H new ATOM 0 HA LEU A 22 2.315 -2.924 0.541 1.00 0.28 H new ATOM 0 HB2 LEU A 22 4.202 -1.734 0.300 1.00 0.29 H new ATOM 0 HB3 LEU A 22 3.367 -0.208 0.088 1.00 0.29 H new ATOM 0 HG LEU A 22 2.905 -0.207 2.548 1.00 0.32 H new ATOM 0 HD11 LEU A 22 4.365 -1.584 4.007 1.00 0.35 H new ATOM 0 HD12 LEU A 22 3.241 -2.582 3.053 1.00 0.35 H new ATOM 0 HD13 LEU A 22 4.951 -2.461 2.574 1.00 0.35 H new ATOM 0 HD21 LEU A 22 5.239 0.514 3.133 1.00 0.35 H new ATOM 0 HD22 LEU A 22 5.833 -0.269 1.650 1.00 0.35 H new ATOM 0 HD23 LEU A 22 4.740 1.131 1.540 1.00 0.35 H new ATOM 379 N VAL A 23 0.400 -0.562 1.801 1.00 0.29 N ATOM 380 CA VAL A 23 -0.570 -0.285 2.830 1.00 0.29 C ATOM 381 C VAL A 23 -1.745 -1.251 2.713 1.00 0.27 C ATOM 382 O VAL A 23 -2.227 -1.745 3.727 1.00 0.25 O ATOM 383 CB VAL A 23 -0.954 1.198 2.717 1.00 0.34 C ATOM 384 CG1 VAL A 23 -2.270 1.505 3.415 1.00 0.38 C ATOM 385 CG2 VAL A 23 0.153 2.077 3.316 1.00 0.36 C ATOM 0 H VAL A 23 0.538 0.217 1.157 1.00 0.29 H new ATOM 0 HA VAL A 23 -0.168 -0.447 3.830 1.00 0.29 H new ATOM 0 HB VAL A 23 -1.076 1.418 1.656 1.00 0.34 H new ATOM 0 HG11 VAL A 23 -2.500 2.565 3.308 1.00 0.38 H new ATOM 0 HG12 VAL A 23 -3.067 0.914 2.965 1.00 0.38 H new ATOM 0 HG13 VAL A 23 -2.187 1.257 4.473 1.00 0.38 H new ATOM 0 HG21 VAL A 23 -0.129 3.126 3.231 1.00 0.36 H new ATOM 0 HG22 VAL A 23 0.291 1.823 4.367 1.00 0.36 H new ATOM 0 HG23 VAL A 23 1.085 1.907 2.776 1.00 0.36 H new ATOM 395 N VAL A 24 -2.198 -1.564 1.499 1.00 0.29 N ATOM 396 CA VAL A 24 -3.227 -2.533 1.277 1.00 0.28 C ATOM 397 C VAL A 24 -2.754 -3.908 1.746 1.00 0.23 C ATOM 398 O VAL A 24 -3.467 -4.566 2.494 1.00 0.20 O ATOM 399 CB VAL A 24 -3.616 -2.439 -0.205 1.00 0.34 C ATOM 400 CG1 VAL A 24 -4.243 -3.724 -0.708 1.00 0.35 C ATOM 401 CG2 VAL A 24 -4.576 -1.262 -0.424 1.00 0.39 C ATOM 0 H VAL A 24 -1.845 -1.136 0.643 1.00 0.29 H new ATOM 0 HA VAL A 24 -4.128 -2.345 1.862 1.00 0.28 H new ATOM 0 HB VAL A 24 -2.702 -2.274 -0.776 1.00 0.34 H new ATOM 0 HG11 VAL A 24 -4.503 -3.614 -1.761 1.00 0.35 H new ATOM 0 HG12 VAL A 24 -3.534 -4.544 -0.593 1.00 0.35 H new ATOM 0 HG13 VAL A 24 -5.143 -3.939 -0.132 1.00 0.35 H new ATOM 0 HG21 VAL A 24 -4.846 -1.204 -1.478 1.00 0.39 H new ATOM 0 HG22 VAL A 24 -5.476 -1.410 0.173 1.00 0.39 H new ATOM 0 HG23 VAL A 24 -4.089 -0.334 -0.123 1.00 0.39 H new ATOM 411 N VAL A 25 -1.549 -4.340 1.370 1.00 0.24 N ATOM 412 CA VAL A 25 -0.973 -5.569 1.874 1.00 0.22 C ATOM 413 C VAL A 25 -0.930 -5.569 3.403 1.00 0.18 C ATOM 414 O VAL A 25 -1.230 -6.586 4.025 1.00 0.17 O ATOM 415 CB VAL A 25 0.391 -5.804 1.202 1.00 0.26 C ATOM 416 CG1 VAL A 25 1.430 -6.454 2.116 1.00 0.25 C ATOM 417 CG2 VAL A 25 0.164 -6.699 -0.018 1.00 0.31 C ATOM 0 H VAL A 25 -0.953 -3.842 0.708 1.00 0.24 H new ATOM 0 HA VAL A 25 -1.604 -6.419 1.612 1.00 0.22 H new ATOM 0 HB VAL A 25 0.795 -4.828 0.932 1.00 0.26 H new ATOM 0 HG11 VAL A 25 2.364 -6.586 1.569 1.00 0.25 H new ATOM 0 HG12 VAL A 25 1.604 -5.815 2.982 1.00 0.25 H new ATOM 0 HG13 VAL A 25 1.064 -7.425 2.450 1.00 0.25 H new ATOM 0 HG21 VAL A 25 1.116 -6.883 -0.516 1.00 0.31 H new ATOM 0 HG22 VAL A 25 -0.268 -7.647 0.302 1.00 0.31 H new ATOM 0 HG23 VAL A 25 -0.518 -6.205 -0.710 1.00 0.31 H new ATOM 427 N VAL A 26 -0.586 -4.435 4.015 1.00 0.19 N ATOM 428 CA VAL A 26 -0.532 -4.328 5.464 1.00 0.20 C ATOM 429 C VAL A 26 -1.945 -4.489 6.019 1.00 0.17 C ATOM 430 O VAL A 26 -2.141 -5.246 6.966 1.00 0.18 O ATOM 431 CB VAL A 26 0.147 -3.018 5.889 1.00 0.25 C ATOM 432 CG1 VAL A 26 -0.246 -2.547 7.296 1.00 0.29 C ATOM 433 CG2 VAL A 26 1.670 -3.157 5.790 1.00 0.28 C ATOM 0 H VAL A 26 -0.340 -3.576 3.522 1.00 0.19 H new ATOM 0 HA VAL A 26 0.083 -5.124 5.885 1.00 0.20 H new ATOM 0 HB VAL A 26 -0.208 -2.253 5.198 1.00 0.25 H new ATOM 0 HG11 VAL A 26 0.273 -1.616 7.526 1.00 0.29 H new ATOM 0 HG12 VAL A 26 -1.323 -2.382 7.337 1.00 0.29 H new ATOM 0 HG13 VAL A 26 0.032 -3.308 8.025 1.00 0.29 H new ATOM 0 HG21 VAL A 26 2.141 -2.222 6.094 1.00 0.28 H new ATOM 0 HG22 VAL A 26 2.005 -3.962 6.444 1.00 0.28 H new ATOM 0 HG23 VAL A 26 1.948 -3.386 4.761 1.00 0.28 H new ATOM 443 N ILE A 27 -2.934 -3.811 5.429 1.00 0.18 N ATOM 444 CA ILE A 27 -4.315 -3.899 5.856 1.00 0.20 C ATOM 445 C ILE A 27 -4.757 -5.360 5.753 1.00 0.17 C ATOM 446 O ILE A 27 -5.382 -5.890 6.668 1.00 0.20 O ATOM 447 CB ILE A 27 -5.176 -2.937 5.020 1.00 0.25 C ATOM 448 CG1 ILE A 27 -5.082 -1.530 5.639 1.00 0.33 C ATOM 449 CG2 ILE A 27 -6.651 -3.369 4.959 1.00 0.27 C ATOM 450 CD1 ILE A 27 -5.517 -0.429 4.666 1.00 0.38 C ATOM 0 H ILE A 27 -2.788 -3.184 4.638 1.00 0.18 H new ATOM 0 HA ILE A 27 -4.435 -3.591 6.895 1.00 0.20 H new ATOM 0 HB ILE A 27 -4.795 -2.945 3.999 1.00 0.25 H new ATOM 0 HG12 ILE A 27 -5.705 -1.488 6.532 1.00 0.33 H new ATOM 0 HG13 ILE A 27 -4.056 -1.345 5.957 1.00 0.33 H new ATOM 0 HG21 ILE A 27 -7.214 -2.656 4.357 1.00 0.27 H new ATOM 0 HG22 ILE A 27 -6.722 -4.359 4.509 1.00 0.27 H new ATOM 0 HG23 ILE A 27 -7.064 -3.398 5.967 1.00 0.27 H new ATOM 0 HD11 ILE A 27 -5.431 0.542 5.153 1.00 0.38 H new ATOM 0 HD12 ILE A 27 -4.878 -0.450 3.784 1.00 0.38 H new ATOM 0 HD13 ILE A 27 -6.552 -0.595 4.368 1.00 0.38 H new ATOM 462 N VAL A 28 -4.413 -6.020 4.645 1.00 0.17 N ATOM 463 CA VAL A 28 -4.811 -7.392 4.391 1.00 0.21 C ATOM 464 C VAL A 28 -4.179 -8.308 5.436 1.00 0.20 C ATOM 465 O VAL A 28 -4.891 -9.043 6.115 1.00 0.25 O ATOM 466 CB VAL A 28 -4.471 -7.778 2.940 1.00 0.28 C ATOM 467 CG1 VAL A 28 -4.552 -9.290 2.715 1.00 0.35 C ATOM 468 CG2 VAL A 28 -5.447 -7.093 1.972 1.00 0.33 C ATOM 0 H VAL A 28 -3.849 -5.610 3.901 1.00 0.17 H new ATOM 0 HA VAL A 28 -5.891 -7.505 4.490 1.00 0.21 H new ATOM 0 HB VAL A 28 -3.448 -7.451 2.754 1.00 0.28 H new ATOM 0 HG11 VAL A 28 -4.305 -9.517 1.678 1.00 0.35 H new ATOM 0 HG12 VAL A 28 -3.847 -9.794 3.375 1.00 0.35 H new ATOM 0 HG13 VAL A 28 -5.563 -9.636 2.931 1.00 0.35 H new ATOM 0 HG21 VAL A 28 -5.199 -7.372 0.948 1.00 0.33 H new ATOM 0 HG22 VAL A 28 -6.465 -7.409 2.198 1.00 0.33 H new ATOM 0 HG23 VAL A 28 -5.370 -6.011 2.083 1.00 0.33 H new ATOM 478 N GLY A 29 -2.855 -8.262 5.595 1.00 0.19 N ATOM 479 CA GLY A 29 -2.186 -9.062 6.609 1.00 0.25 C ATOM 480 C GLY A 29 -2.768 -8.803 7.999 1.00 0.22 C ATOM 481 O GLY A 29 -3.086 -9.741 8.727 1.00 0.29 O ATOM 0 H GLY A 29 -2.232 -7.680 5.035 1.00 0.19 H new ATOM 0 HA2 GLY A 29 -2.284 -10.119 6.363 1.00 0.25 H new ATOM 0 HA3 GLY A 29 -1.120 -8.833 6.611 1.00 0.25 H new ATOM 485 N ALA A 30 -2.934 -7.528 8.359 1.00 0.23 N ATOM 486 CA ALA A 30 -3.509 -7.126 9.633 1.00 0.33 C ATOM 487 C ALA A 30 -4.911 -7.707 9.817 1.00 0.37 C ATOM 488 O ALA A 30 -5.237 -8.179 10.902 1.00 0.52 O ATOM 489 CB ALA A 30 -3.530 -5.600 9.746 1.00 0.44 C ATOM 0 H ALA A 30 -2.669 -6.743 7.765 1.00 0.23 H new ATOM 0 HA ALA A 30 -2.882 -7.525 10.431 1.00 0.33 H new ATOM 0 HB1 ALA A 30 -3.963 -5.312 10.704 1.00 0.44 H new ATOM 0 HB2 ALA A 30 -2.512 -5.216 9.677 1.00 0.44 H new ATOM 0 HB3 ALA A 30 -4.130 -5.183 8.937 1.00 0.44 H new ATOM 495 N LEU A 31 -5.742 -7.684 8.770 1.00 0.33 N ATOM 496 CA LEU A 31 -7.065 -8.249 8.795 1.00 0.43 C ATOM 497 C LEU A 31 -6.939 -9.758 9.025 1.00 0.47 C ATOM 498 O LEU A 31 -7.526 -10.276 9.969 1.00 0.64 O ATOM 499 CB LEU A 31 -7.767 -7.816 7.498 1.00 0.45 C ATOM 500 CG LEU A 31 -8.935 -8.713 7.124 1.00 0.62 C ATOM 501 CD1 LEU A 31 -10.058 -8.696 8.168 1.00 0.77 C ATOM 502 CD2 LEU A 31 -9.492 -8.322 5.751 1.00 0.70 C ATOM 0 H LEU A 31 -5.496 -7.262 7.874 1.00 0.33 H new ATOM 0 HA LEU A 31 -7.691 -7.892 9.612 1.00 0.43 H new ATOM 0 HB2 LEU A 31 -8.124 -6.792 7.610 1.00 0.45 H new ATOM 0 HB3 LEU A 31 -7.043 -7.814 6.683 1.00 0.45 H new ATOM 0 HG LEU A 31 -8.546 -9.731 7.087 1.00 0.62 H new ATOM 0 HD11 LEU A 31 -10.864 -9.355 7.846 1.00 0.77 H new ATOM 0 HD12 LEU A 31 -9.669 -9.040 9.126 1.00 0.77 H new ATOM 0 HD13 LEU A 31 -10.440 -7.681 8.275 1.00 0.77 H new ATOM 0 HD21 LEU A 31 -10.328 -8.974 5.498 1.00 0.70 H new ATOM 0 HD22 LEU A 31 -9.834 -7.288 5.778 1.00 0.70 H new ATOM 0 HD23 LEU A 31 -8.710 -8.426 4.998 1.00 0.70 H new ATOM 514 N LEU A 32 -6.141 -10.460 8.213 1.00 0.40 N ATOM 515 CA LEU A 32 -5.991 -11.908 8.322 1.00 0.50 C ATOM 516 C LEU A 32 -5.496 -12.316 9.714 1.00 0.47 C ATOM 517 O LEU A 32 -5.934 -13.327 10.256 1.00 0.55 O ATOM 518 CB LEU A 32 -5.042 -12.424 7.231 1.00 0.61 C ATOM 519 CG LEU A 32 -5.607 -12.288 5.805 1.00 1.15 C ATOM 520 CD1 LEU A 32 -4.481 -12.535 4.796 1.00 1.67 C ATOM 521 CD2 LEU A 32 -6.746 -13.282 5.542 1.00 1.99 C ATOM 0 H LEU A 32 -5.586 -10.040 7.467 1.00 0.40 H new ATOM 0 HA LEU A 32 -6.971 -12.363 8.178 1.00 0.50 H new ATOM 0 HB2 LEU A 32 -4.100 -11.878 7.293 1.00 0.61 H new ATOM 0 HB3 LEU A 32 -4.816 -13.473 7.424 1.00 0.61 H new ATOM 0 HG LEU A 32 -6.010 -11.281 5.697 1.00 1.15 H new ATOM 0 HD11 LEU A 32 -4.873 -12.441 3.783 1.00 1.67 H new ATOM 0 HD12 LEU A 32 -3.689 -11.802 4.948 1.00 1.67 H new ATOM 0 HD13 LEU A 32 -4.079 -13.538 4.938 1.00 1.67 H new ATOM 0 HD21 LEU A 32 -7.115 -13.152 4.525 1.00 1.99 H new ATOM 0 HD22 LEU A 32 -6.377 -14.300 5.666 1.00 1.99 H new ATOM 0 HD23 LEU A 32 -7.557 -13.102 6.248 1.00 1.99 H new ATOM 533 N MET A 33 -4.590 -11.530 10.300 1.00 0.41 N ATOM 534 CA MET A 33 -4.069 -11.762 11.643 1.00 0.45 C ATOM 535 C MET A 33 -4.998 -11.183 12.728 1.00 0.69 C ATOM 536 O MET A 33 -4.633 -11.176 13.902 1.00 1.47 O ATOM 537 CB MET A 33 -2.646 -11.178 11.699 1.00 0.66 C ATOM 538 CG MET A 33 -1.791 -11.740 12.846 1.00 1.78 C ATOM 539 SD MET A 33 -0.068 -11.179 12.894 1.00 2.59 S ATOM 540 CE MET A 33 0.579 -11.845 11.343 1.00 3.63 C ATOM 0 H MET A 33 -4.195 -10.706 9.847 1.00 0.41 H new ATOM 0 HA MET A 33 -4.028 -12.831 11.854 1.00 0.45 H new ATOM 0 HB2 MET A 33 -2.144 -11.377 10.752 1.00 0.66 H new ATOM 0 HB3 MET A 33 -2.711 -10.095 11.804 1.00 0.66 H new ATOM 0 HG2 MET A 33 -2.266 -11.476 13.791 1.00 1.78 H new ATOM 0 HG3 MET A 33 -1.797 -12.828 12.779 1.00 1.78 H new ATOM 0 HE1 MET A 33 1.666 -11.765 11.338 1.00 3.63 H new ATOM 0 HE2 MET A 33 0.292 -12.892 11.249 1.00 3.63 H new ATOM 0 HE3 MET A 33 0.169 -11.280 10.506 1.00 3.63 H new ATOM 550 N GLY A 34 -6.183 -10.688 12.355 1.00 0.48 N ATOM 551 CA GLY A 34 -7.079 -9.931 13.210 1.00 0.80 C ATOM 552 C GLY A 34 -8.457 -10.579 13.332 1.00 1.79 C ATOM 553 O GLY A 34 -8.885 -10.888 14.442 1.00 2.49 O ATOM 0 H GLY A 34 -6.550 -10.813 11.412 1.00 0.48 H new ATOM 0 HA2 GLY A 34 -6.636 -9.836 14.202 1.00 0.80 H new ATOM 0 HA3 GLY A 34 -7.189 -8.922 12.813 1.00 0.80 H new ATOM 557 N LEU A 35 -9.176 -10.725 12.215 1.00 2.87 N ATOM 558 CA LEU A 35 -10.565 -11.128 12.167 1.00 4.63 C ATOM 559 C LEU A 35 -10.754 -12.007 10.933 1.00 5.86 C ATOM 560 O LEU A 35 -10.229 -11.640 9.884 1.00 6.19 O ATOM 561 CB LEU A 35 -11.432 -9.871 12.031 1.00 5.29 C ATOM 562 CG LEU A 35 -11.501 -8.980 13.285 1.00 5.66 C ATOM 563 CD1 LEU A 35 -12.250 -7.688 12.938 1.00 6.64 C ATOM 564 CD2 LEU A 35 -12.216 -9.678 14.449 1.00 6.63 C ATOM 565 OXT LEU A 35 -11.490 -12.987 11.019 1.00 7.00 O ATOM 0 H LEU A 35 -8.782 -10.557 11.289 1.00 2.87 H new ATOM 0 HA LEU A 35 -10.847 -11.673 13.068 1.00 4.63 H new ATOM 0 HB2 LEU A 35 -11.051 -9.275 11.202 1.00 5.29 H new ATOM 0 HB3 LEU A 35 -12.444 -10.175 11.765 1.00 5.29 H new ATOM 0 HG LEU A 35 -10.480 -8.766 13.601 1.00 5.66 H new ATOM 0 HD11 LEU A 35 -12.304 -7.050 13.820 1.00 6.64 H new ATOM 0 HD12 LEU A 35 -11.721 -7.163 12.143 1.00 6.64 H new ATOM 0 HD13 LEU A 35 -13.259 -7.931 12.604 1.00 6.64 H new ATOM 0 HD21 LEU A 35 -12.241 -9.013 15.312 1.00 6.63 H new ATOM 0 HD22 LEU A 35 -13.235 -9.927 14.153 1.00 6.63 H new ATOM 0 HD23 LEU A 35 -11.680 -10.591 14.710 1.00 6.63 H new TER 577 LEU A 35