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+ 160:sc= -1.28 (180deg=-2.36!) USER MOD Single : A 5 CYS SG : rot 180:sc= -0.0816 USER MOD Single : A 6 CYS SG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.467 K(o=-0.47,f=-7.2!) 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 9.113 24.300 -25.690 1.00 16.09 N ATOM 2 CA LEU A 1 9.461 23.811 -24.345 1.00 15.08 C ATOM 3 C LEU A 1 9.291 22.294 -24.320 1.00 14.00 C ATOM 4 O LEU A 1 8.814 21.747 -25.311 1.00 14.44 O ATOM 5 CB LEU A 1 8.679 24.539 -23.233 1.00 15.46 C ATOM 6 CG LEU A 1 7.134 24.532 -23.262 1.00 15.79 C ATOM 7 CD1 LEU A 1 6.525 25.357 -24.406 1.00 16.67 C ATOM 8 CD2 LEU A 1 6.513 23.130 -23.237 1.00 15.32 C ATOM 0 H1 LEU A 1 8.893 25.315 -25.644 1.00 16.09 H new ATOM 0 H2 LEU A 1 9.916 24.148 -26.333 1.00 16.09 H new ATOM 0 H3 LEU A 1 8.283 23.782 -26.044 1.00 16.09 H new ATOM 0 HA LEU A 1 10.504 24.042 -24.130 1.00 15.08 H new ATOM 0 HB2 LEU A 1 8.990 24.110 -22.280 1.00 15.46 H new ATOM 0 HB3 LEU A 1 9.001 25.580 -23.235 1.00 15.46 H new ATOM 0 HG LEU A 1 6.872 25.024 -22.325 1.00 15.79 H new ATOM 0 HD11 LEU A 1 5.438 25.301 -24.356 1.00 16.67 H new ATOM 0 HD12 LEU A 1 6.839 26.396 -24.312 1.00 16.67 H new ATOM 0 HD13 LEU A 1 6.865 24.960 -25.362 1.00 16.67 H new ATOM 0 HD21 LEU A 1 5.426 23.213 -23.260 1.00 15.32 H new ATOM 0 HD22 LEU A 1 6.852 22.566 -24.106 1.00 15.32 H new ATOM 0 HD23 LEU A 1 6.818 22.613 -22.327 1.00 15.32 H new ATOM 22 N ARG A 2 9.684 21.625 -23.233 1.00 12.98 N ATOM 23 CA ARG A 2 9.575 20.181 -23.088 1.00 12.15 C ATOM 24 C ARG A 2 9.483 19.872 -21.594 1.00 10.82 C ATOM 25 O ARG A 2 10.508 19.734 -20.933 1.00 10.31 O ATOM 26 CB ARG A 2 10.786 19.510 -23.761 1.00 12.70 C ATOM 27 CG ARG A 2 10.718 17.978 -23.688 1.00 12.84 C ATOM 28 CD ARG A 2 11.884 17.322 -24.441 1.00 13.49 C ATOM 29 NE ARG A 2 11.846 17.590 -25.890 1.00 14.38 N ATOM 30 CZ ARG A 2 11.069 16.956 -26.784 1.00 15.35 C ATOM 31 NH1 ARG A 2 10.203 16.022 -26.374 1.00 15.52 N ATOM 32 NH2 ARG A 2 11.160 17.260 -28.084 1.00 16.47 N ATOM 0 H ARG A 2 10.093 22.084 -22.419 1.00 12.98 H new ATOM 0 HA ARG A 2 8.684 19.787 -23.578 1.00 12.15 H new ATOM 0 HB2 ARG A 2 10.837 19.820 -24.805 1.00 12.70 H new ATOM 0 HB3 ARG A 2 11.702 19.854 -23.281 1.00 12.70 H new ATOM 0 HG2 ARG A 2 10.735 17.662 -22.645 1.00 12.84 H new ATOM 0 HG3 ARG A 2 9.773 17.635 -24.110 1.00 12.84 H new ATOM 0 HD2 ARG A 2 12.826 17.687 -24.032 1.00 13.49 H new ATOM 0 HD3 ARG A 2 11.860 16.245 -24.274 1.00 13.49 H new ATOM 0 HE ARG A 2 12.463 18.320 -26.245 1.00 14.38 H new ATOM 0 HH11 ARG A 2 10.133 15.792 -25.383 1.00 15.52 H new ATOM 0 HH12 ARG A 2 9.613 15.541 -27.053 1.00 15.52 H new ATOM 0 HH21 ARG A 2 11.819 17.973 -28.396 1.00 16.47 H new ATOM 0 HH22 ARG A 2 10.570 16.779 -28.763 1.00 16.47 H new ATOM 46 N ILE A 3 8.260 19.803 -21.061 1.00 10.72 N ATOM 47 CA ILE A 3 7.991 19.622 -19.638 1.00 9.86 C ATOM 48 C ILE A 3 7.243 18.292 -19.443 1.00 8.71 C ATOM 49 O ILE A 3 6.017 18.289 -19.368 1.00 9.06 O ATOM 50 CB ILE A 3 7.195 20.843 -19.121 1.00 10.92 C ATOM 51 CG1 ILE A 3 7.901 22.187 -19.396 1.00 11.84 C ATOM 52 CG2 ILE A 3 6.880 20.725 -17.622 1.00 11.29 C ATOM 53 CD1 ILE A 3 9.250 22.366 -18.693 1.00 11.96 C ATOM 0 H ILE A 3 7.412 19.873 -21.623 1.00 10.72 H new ATOM 0 HA ILE A 3 8.912 19.567 -19.058 1.00 9.86 H new ATOM 0 HB ILE A 3 6.262 20.837 -19.684 1.00 10.92 H new ATOM 0 HG12 ILE A 3 8.052 22.287 -20.471 1.00 11.84 H new ATOM 0 HG13 ILE A 3 7.239 22.997 -19.090 1.00 11.84 H new ATOM 0 HG21 ILE A 3 6.320 21.602 -17.298 1.00 11.29 H new ATOM 0 HG22 ILE A 3 6.285 19.829 -17.445 1.00 11.29 H new ATOM 0 HG23 ILE A 3 7.811 20.660 -17.059 1.00 11.29 H new ATOM 0 HD11 ILE A 3 9.667 23.340 -18.948 1.00 11.96 H new ATOM 0 HD12 ILE A 3 9.109 22.303 -17.614 1.00 11.96 H new ATOM 0 HD13 ILE A 3 9.935 21.582 -19.016 1.00 11.96 H new ATOM 65 N PRO A 4 7.948 17.147 -19.398 1.00 7.82 N ATOM 66 CA PRO A 4 7.321 15.847 -19.206 1.00 7.23 C ATOM 67 C PRO A 4 6.986 15.612 -17.731 1.00 6.88 C ATOM 68 O PRO A 4 5.980 14.986 -17.413 1.00 7.80 O ATOM 69 CB PRO A 4 8.348 14.831 -19.715 1.00 7.21 C ATOM 70 CG PRO A 4 9.691 15.511 -19.444 1.00 7.44 C ATOM 71 CD PRO A 4 9.376 16.996 -19.643 1.00 8.03 C ATOM 0 HA PRO A 4 6.375 15.766 -19.741 1.00 7.23 H new ATOM 0 HB2 PRO A 4 8.266 13.880 -19.188 1.00 7.21 H new ATOM 0 HB3 PRO A 4 8.212 14.620 -20.776 1.00 7.21 H new ATOM 0 HG2 PRO A 4 10.050 15.307 -18.435 1.00 7.44 H new ATOM 0 HG3 PRO A 4 10.463 15.167 -20.132 1.00 7.44 H new ATOM 0 HD2 PRO A 4 9.956 17.612 -18.956 1.00 8.03 H new ATOM 0 HD3 PRO A 4 9.633 17.316 -20.653 1.00 8.03 H new ATOM 79 N CYS A 5 7.876 16.053 -16.834 1.00 6.08 N ATOM 80 CA CYS A 5 7.780 15.884 -15.383 1.00 6.20 C ATOM 81 C CYS A 5 7.849 14.404 -14.989 1.00 5.42 C ATOM 82 O CYS A 5 7.502 14.024 -13.871 1.00 6.17 O ATOM 83 CB CYS A 5 6.548 16.593 -14.801 1.00 7.88 C ATOM 84 SG CYS A 5 6.679 18.388 -14.979 1.00 8.39 S ATOM 0 H CYS A 5 8.717 16.558 -17.113 1.00 6.08 H new ATOM 0 HA CYS A 5 8.647 16.371 -14.937 1.00 6.20 H new ATOM 0 HB2 CYS A 5 5.649 16.240 -15.307 1.00 7.88 H new ATOM 0 HB3 CYS A 5 6.442 16.337 -13.747 1.00 7.88 H new ATOM 0 HG CYS A 5 5.620 18.952 -14.479 1.00 8.39 H new ATOM 90 N CYS A 6 8.376 13.570 -15.892 1.00 4.64 N ATOM 91 CA CYS A 6 8.422 12.120 -15.741 1.00 4.90 C ATOM 92 C CYS A 6 9.079 11.683 -14.422 1.00 4.16 C ATOM 93 O CYS A 6 8.431 10.988 -13.643 1.00 4.84 O ATOM 94 CB CYS A 6 9.057 11.476 -16.979 1.00 5.99 C ATOM 95 SG CYS A 6 9.407 9.738 -16.625 1.00 7.68 S ATOM 0 H CYS A 6 8.790 13.896 -16.765 1.00 4.64 H new ATOM 0 HA CYS A 6 7.398 11.754 -15.674 1.00 4.90 H new ATOM 0 HB2 CYS A 6 8.384 11.558 -17.833 1.00 5.99 H new ATOM 0 HB3 CYS A 6 9.976 11.998 -17.246 1.00 5.99 H new ATOM 0 HG CYS A 6 9.944 9.182 -17.670 1.00 7.68 H new ATOM 101 N PRO A 7 10.316 12.107 -14.100 1.00 3.36 N ATOM 102 CA PRO A 7 10.943 11.753 -12.833 1.00 3.55 C ATOM 103 C PRO A 7 10.442 12.604 -11.652 1.00 2.91 C ATOM 104 O PRO A 7 11.001 12.505 -10.562 1.00 3.25 O ATOM 105 CB PRO A 7 12.442 11.957 -13.070 1.00 4.06 C ATOM 106 CG PRO A 7 12.466 13.125 -14.055 1.00 3.61 C ATOM 107 CD PRO A 7 11.258 12.831 -14.943 1.00 3.32 C ATOM 0 HA PRO A 7 10.697 10.730 -12.550 1.00 3.55 H new ATOM 0 HB2 PRO A 7 12.970 12.194 -12.146 1.00 4.06 H new ATOM 0 HB3 PRO A 7 12.912 11.066 -13.486 1.00 4.06 H new ATOM 0 HG2 PRO A 7 12.373 14.086 -13.548 1.00 3.61 H new ATOM 0 HG3 PRO A 7 13.393 13.155 -14.627 1.00 3.61 H new ATOM 0 HD2 PRO A 7 10.816 13.753 -15.321 1.00 3.32 H new ATOM 0 HD3 PRO A 7 11.545 12.236 -15.810 1.00 3.32 H new ATOM 115 N VAL A 8 9.417 13.440 -11.850 1.00 2.40 N ATOM 116 CA VAL A 8 8.900 14.389 -10.875 1.00 1.94 C ATOM 117 C VAL A 8 7.554 13.854 -10.370 1.00 1.83 C ATOM 118 O VAL A 8 7.456 12.693 -9.979 1.00 2.96 O ATOM 119 CB VAL A 8 8.890 15.816 -11.468 1.00 2.18 C ATOM 120 CG1 VAL A 8 8.859 16.883 -10.361 1.00 2.91 C ATOM 121 CG2 VAL A 8 10.145 16.087 -12.314 1.00 3.08 C ATOM 0 H VAL A 8 8.908 13.470 -12.733 1.00 2.40 H new ATOM 0 HA VAL A 8 9.540 14.483 -9.998 1.00 1.94 H new ATOM 0 HB VAL A 8 7.994 15.876 -12.086 1.00 2.18 H new ATOM 0 HG11 VAL A 8 8.853 17.875 -10.812 1.00 2.91 H new ATOM 0 HG12 VAL A 8 7.962 16.754 -9.756 1.00 2.91 H new ATOM 0 HG13 VAL A 8 9.741 16.777 -9.729 1.00 2.91 H new ATOM 0 HG21 VAL A 8 10.102 17.100 -12.714 1.00 3.08 H new ATOM 0 HG22 VAL A 8 11.033 15.980 -11.692 1.00 3.08 H new ATOM 0 HG23 VAL A 8 10.190 15.373 -13.137 1.00 3.08 H new ATOM 131 N ASN A 9 6.527 14.700 -10.306 1.00 1.12 N ATOM 132 CA ASN A 9 5.180 14.349 -9.863 1.00 0.89 C ATOM 133 C ASN A 9 4.673 13.002 -10.399 1.00 0.75 C ATOM 134 O ASN A 9 4.063 12.254 -9.643 1.00 0.86 O ATOM 135 CB ASN A 9 4.188 15.493 -10.134 1.00 1.05 C ATOM 136 CG ASN A 9 4.023 15.833 -11.614 1.00 2.65 C ATOM 137 OD1 ASN A 9 4.724 15.298 -12.463 1.00 4.32 O ATOM 138 ND2 ASN A 9 3.118 16.751 -11.938 1.00 3.12 N ATOM 0 H ASN A 9 6.613 15.681 -10.570 1.00 1.12 H new ATOM 0 HA ASN A 9 5.249 14.210 -8.784 1.00 0.89 H new ATOM 0 HB2 ASN A 9 3.215 15.222 -9.723 1.00 1.05 H new ATOM 0 HB3 ASN A 9 4.522 16.384 -9.602 1.00 1.05 H new ATOM 0 HD21 ASN A 9 2.995 17.024 -12.913 1.00 3.12 H new ATOM 0 HD22 ASN A 9 2.546 17.182 -11.212 1.00 3.12 H new ATOM 145 N LEU A 10 4.948 12.656 -11.660 1.00 0.85 N ATOM 146 CA LEU A 10 4.600 11.351 -12.225 1.00 0.89 C ATOM 147 C LEU A 10 5.253 10.243 -11.396 1.00 0.69 C ATOM 148 O LEU A 10 4.610 9.279 -10.979 1.00 0.61 O ATOM 149 CB LEU A 10 5.082 11.248 -13.684 1.00 1.30 C ATOM 150 CG LEU A 10 4.133 11.787 -14.769 1.00 1.73 C ATOM 151 CD1 LEU A 10 2.786 11.052 -14.796 1.00 2.54 C ATOM 152 CD2 LEU A 10 3.904 13.295 -14.654 1.00 3.07 C ATOM 0 H LEU A 10 5.420 13.276 -12.319 1.00 0.85 H new ATOM 0 HA LEU A 10 3.516 11.240 -12.203 1.00 0.89 H new ATOM 0 HB2 LEU A 10 6.030 11.780 -13.767 1.00 1.30 H new ATOM 0 HB3 LEU A 10 5.285 10.199 -13.901 1.00 1.30 H new ATOM 0 HG LEU A 10 4.642 11.593 -15.713 1.00 1.73 H new ATOM 0 HD11 LEU A 10 2.157 11.474 -15.580 1.00 2.54 H new ATOM 0 HD12 LEU A 10 2.953 9.993 -14.995 1.00 2.54 H new ATOM 0 HD13 LEU A 10 2.290 11.166 -13.832 1.00 2.54 H new ATOM 0 HD21 LEU A 10 3.227 13.622 -15.444 1.00 3.07 H new ATOM 0 HD22 LEU A 10 3.465 13.523 -13.683 1.00 3.07 H new ATOM 0 HD23 LEU A 10 4.856 13.816 -14.754 1.00 3.07 H new ATOM 164 N LYS A 11 6.550 10.397 -11.141 1.00 0.72 N ATOM 165 CA LYS A 11 7.303 9.470 -10.317 1.00 0.69 C ATOM 166 C LYS A 11 6.679 9.431 -8.924 1.00 0.46 C ATOM 167 O LYS A 11 6.432 8.353 -8.387 1.00 0.54 O ATOM 168 CB LYS A 11 8.782 9.885 -10.277 1.00 0.88 C ATOM 169 CG LYS A 11 9.769 8.716 -10.160 1.00 1.64 C ATOM 170 CD LYS A 11 9.566 7.894 -8.879 1.00 2.94 C ATOM 171 CE LYS A 11 10.746 6.956 -8.583 1.00 3.52 C ATOM 172 NZ LYS A 11 10.952 5.949 -9.645 1.00 4.06 N ATOM 0 H LYS A 11 7.105 11.172 -11.504 1.00 0.72 H new ATOM 0 HA LYS A 11 7.263 8.465 -10.738 1.00 0.69 H new ATOM 0 HB2 LYS A 11 9.012 10.449 -11.181 1.00 0.88 H new ATOM 0 HB3 LYS A 11 8.934 10.558 -9.433 1.00 0.88 H new ATOM 0 HG2 LYS A 11 9.658 8.064 -11.026 1.00 1.64 H new ATOM 0 HG3 LYS A 11 10.788 9.103 -10.181 1.00 1.64 H new ATOM 0 HD2 LYS A 11 9.425 8.571 -8.036 1.00 2.94 H new ATOM 0 HD3 LYS A 11 8.653 7.305 -8.971 1.00 2.94 H new ATOM 0 HE2 LYS A 11 11.655 7.547 -8.467 1.00 3.52 H new ATOM 0 HE3 LYS A 11 10.572 6.448 -7.634 1.00 3.52 H new ATOM 0 HZ1 LYS A 11 11.759 5.342 -9.396 1.00 4.06 H new ATOM 0 HZ2 LYS A 11 10.097 5.365 -9.740 1.00 4.06 H new ATOM 0 HZ3 LYS A 11 11.145 6.430 -10.547 1.00 4.06 H new ATOM 186 N ARG A 12 6.413 10.599 -8.331 1.00 0.35 N ATOM 187 CA ARG A 12 5.899 10.655 -6.978 1.00 0.36 C ATOM 188 C ARG A 12 4.489 10.066 -6.884 1.00 0.31 C ATOM 189 O ARG A 12 4.120 9.488 -5.864 1.00 0.43 O ATOM 190 CB ARG A 12 5.913 12.119 -6.519 1.00 0.62 C ATOM 191 CG ARG A 12 6.032 12.166 -4.999 1.00 1.73 C ATOM 192 CD ARG A 12 5.804 13.585 -4.463 1.00 2.12 C ATOM 193 NE ARG A 12 6.012 13.665 -3.006 1.00 3.22 N ATOM 194 CZ ARG A 12 5.147 13.248 -2.064 1.00 4.13 C ATOM 195 NH1 ARG A 12 4.000 12.660 -2.421 1.00 4.60 N ATOM 196 NH2 ARG A 12 5.436 13.422 -0.768 1.00 5.34 N ATOM 0 H ARG A 12 6.548 11.509 -8.772 1.00 0.35 H new ATOM 0 HA ARG A 12 6.532 10.052 -6.327 1.00 0.36 H new ATOM 0 HB2 ARG A 12 6.748 12.649 -6.978 1.00 0.62 H new ATOM 0 HB3 ARG A 12 5.001 12.622 -6.840 1.00 0.62 H new ATOM 0 HG2 ARG A 12 5.305 11.486 -4.555 1.00 1.73 H new ATOM 0 HG3 ARG A 12 7.020 11.817 -4.699 1.00 1.73 H new ATOM 0 HD2 ARG A 12 6.482 14.275 -4.964 1.00 2.12 H new ATOM 0 HD3 ARG A 12 4.790 13.904 -4.702 1.00 2.12 H new ATOM 0 HE ARG A 12 6.890 14.073 -2.683 1.00 3.22 H new ATOM 0 HH11 ARG A 12 3.781 12.527 -3.408 1.00 4.60 H new ATOM 0 HH12 ARG A 12 3.345 12.344 -1.706 1.00 4.60 H new ATOM 0 HH21 ARG A 12 6.311 13.870 -0.496 1.00 5.34 H new ATOM 0 HH22 ARG A 12 4.781 13.106 -0.053 1.00 5.34 H new ATOM 210 N LEU A 13 3.745 10.113 -7.984 1.00 0.21 N ATOM 211 CA LEU A 13 2.447 9.477 -8.111 1.00 0.25 C ATOM 212 C LEU A 13 2.661 7.970 -8.080 1.00 0.23 C ATOM 213 O LEU A 13 2.037 7.273 -7.286 1.00 0.26 O ATOM 214 CB LEU A 13 1.718 9.995 -9.355 1.00 0.32 C ATOM 215 CG LEU A 13 0.333 9.401 -9.672 1.00 0.77 C ATOM 216 CD1 LEU A 13 0.403 8.024 -10.343 1.00 2.49 C ATOM 217 CD2 LEU A 13 -0.594 9.366 -8.451 1.00 1.70 C ATOM 0 H LEU A 13 4.038 10.606 -8.828 1.00 0.21 H new ATOM 0 HA LEU A 13 1.787 9.729 -7.281 1.00 0.25 H new ATOM 0 HB2 LEU A 13 1.605 11.074 -9.252 1.00 0.32 H new ATOM 0 HB3 LEU A 13 2.362 9.823 -10.217 1.00 0.32 H new ATOM 0 HG LEU A 13 -0.104 10.088 -10.397 1.00 0.77 H new ATOM 0 HD11 LEU A 13 -0.607 7.663 -10.539 1.00 2.49 H new ATOM 0 HD12 LEU A 13 0.948 8.105 -11.283 1.00 2.49 H new ATOM 0 HD13 LEU A 13 0.917 7.324 -9.684 1.00 2.49 H new ATOM 0 HD21 LEU A 13 -1.555 8.937 -8.736 1.00 1.70 H new ATOM 0 HD22 LEU A 13 -0.142 8.756 -7.669 1.00 1.70 H new ATOM 0 HD23 LEU A 13 -0.745 10.380 -8.079 1.00 1.70 H new ATOM 229 N LEU A 14 3.584 7.464 -8.901 1.00 0.22 N ATOM 230 CA LEU A 14 3.920 6.049 -8.908 1.00 0.25 C ATOM 231 C LEU A 14 4.332 5.584 -7.505 1.00 0.23 C ATOM 232 O LEU A 14 3.851 4.565 -7.012 1.00 0.26 O ATOM 233 CB LEU A 14 5.014 5.784 -9.960 1.00 0.29 C ATOM 234 CG LEU A 14 4.928 4.424 -10.675 1.00 0.47 C ATOM 235 CD1 LEU A 14 4.867 3.236 -9.710 1.00 2.07 C ATOM 236 CD2 LEU A 14 3.746 4.372 -11.651 1.00 2.43 C ATOM 0 H LEU A 14 4.112 8.022 -9.572 1.00 0.22 H new ATOM 0 HA LEU A 14 3.043 5.465 -9.185 1.00 0.25 H new ATOM 0 HB2 LEU A 14 4.971 6.573 -10.711 1.00 0.29 H new ATOM 0 HB3 LEU A 14 5.987 5.859 -9.474 1.00 0.29 H new ATOM 0 HG LEU A 14 5.856 4.333 -11.239 1.00 0.47 H new ATOM 0 HD11 LEU A 14 4.808 2.308 -10.279 1.00 2.07 H new ATOM 0 HD12 LEU A 14 5.763 3.225 -9.090 1.00 2.07 H new ATOM 0 HD13 LEU A 14 3.987 3.329 -9.074 1.00 2.07 H new ATOM 0 HD21 LEU A 14 3.718 3.397 -12.137 1.00 2.43 H new ATOM 0 HD22 LEU A 14 2.816 4.533 -11.105 1.00 2.43 H new ATOM 0 HD23 LEU A 14 3.863 5.150 -12.406 1.00 2.43 H new ATOM 248 N VAL A 15 5.187 6.358 -6.833 1.00 0.19 N ATOM 249 CA VAL A 15 5.568 6.080 -5.453 1.00 0.22 C ATOM 250 C VAL A 15 4.316 6.006 -4.575 1.00 0.25 C ATOM 251 O VAL A 15 4.148 5.038 -3.837 1.00 0.28 O ATOM 252 CB VAL A 15 6.593 7.108 -4.940 1.00 0.27 C ATOM 253 CG1 VAL A 15 6.843 6.960 -3.432 1.00 0.47 C ATOM 254 CG2 VAL A 15 7.935 6.930 -5.661 1.00 0.28 C ATOM 0 H VAL A 15 5.630 7.187 -7.229 1.00 0.19 H new ATOM 0 HA VAL A 15 6.063 5.110 -5.406 1.00 0.22 H new ATOM 0 HB VAL A 15 6.176 8.095 -5.140 1.00 0.27 H new ATOM 0 HG11 VAL A 15 7.572 7.703 -3.109 1.00 0.47 H new ATOM 0 HG12 VAL A 15 5.908 7.110 -2.892 1.00 0.47 H new ATOM 0 HG13 VAL A 15 7.226 5.961 -3.223 1.00 0.47 H new ATOM 0 HG21 VAL A 15 8.649 7.664 -5.287 1.00 0.28 H new ATOM 0 HG22 VAL A 15 8.317 5.926 -5.477 1.00 0.28 H new ATOM 0 HG23 VAL A 15 7.794 7.074 -6.732 1.00 0.28 H new ATOM 264 N VAL A 16 3.425 6.998 -4.654 1.00 0.27 N ATOM 265 CA VAL A 16 2.184 6.971 -3.891 1.00 0.32 C ATOM 266 C VAL A 16 1.401 5.692 -4.195 1.00 0.34 C ATOM 267 O VAL A 16 0.950 5.035 -3.263 1.00 0.38 O ATOM 268 CB VAL A 16 1.370 8.260 -4.109 1.00 0.34 C ATOM 269 CG1 VAL A 16 -0.077 8.130 -3.614 1.00 0.44 C ATOM 270 CG2 VAL A 16 2.028 9.421 -3.349 1.00 0.38 C ATOM 0 H VAL A 16 3.543 7.826 -5.238 1.00 0.27 H new ATOM 0 HA VAL A 16 2.416 6.947 -2.826 1.00 0.32 H new ATOM 0 HB VAL A 16 1.354 8.446 -5.183 1.00 0.34 H new ATOM 0 HG11 VAL A 16 -0.607 9.066 -3.791 1.00 0.44 H new ATOM 0 HG12 VAL A 16 -0.575 7.323 -4.152 1.00 0.44 H new ATOM 0 HG13 VAL A 16 -0.078 7.909 -2.547 1.00 0.44 H new ATOM 0 HG21 VAL A 16 1.450 10.332 -3.505 1.00 0.38 H new ATOM 0 HG22 VAL A 16 2.058 9.188 -2.285 1.00 0.38 H new ATOM 0 HG23 VAL A 16 3.043 9.568 -3.717 1.00 0.38 H new ATOM 280 N VAL A 17 1.259 5.302 -5.465 1.00 0.33 N ATOM 281 CA VAL A 17 0.583 4.069 -5.825 1.00 0.37 C ATOM 282 C VAL A 17 1.232 2.877 -5.109 1.00 0.36 C ATOM 283 O VAL A 17 0.546 2.096 -4.451 1.00 0.38 O ATOM 284 CB VAL A 17 0.530 3.918 -7.356 1.00 0.38 C ATOM 285 CG1 VAL A 17 0.035 2.530 -7.765 1.00 0.45 C ATOM 286 CG2 VAL A 17 -0.418 4.964 -7.960 1.00 0.42 C ATOM 0 H VAL A 17 1.610 5.833 -6.262 1.00 0.33 H new ATOM 0 HA VAL A 17 -0.452 4.100 -5.486 1.00 0.37 H new ATOM 0 HB VAL A 17 1.544 4.061 -7.729 1.00 0.38 H new ATOM 0 HG11 VAL A 17 0.010 2.458 -8.852 1.00 0.45 H new ATOM 0 HG12 VAL A 17 0.709 1.771 -7.367 1.00 0.45 H new ATOM 0 HG13 VAL A 17 -0.967 2.369 -7.368 1.00 0.45 H new ATOM 0 HG21 VAL A 17 -0.447 4.847 -9.043 1.00 0.42 H new ATOM 0 HG22 VAL A 17 -1.420 4.825 -7.553 1.00 0.42 H new ATOM 0 HG23 VAL A 17 -0.062 5.964 -7.713 1.00 0.42 H new ATOM 296 N VAL A 18 2.557 2.742 -5.203 1.00 0.33 N ATOM 297 CA VAL A 18 3.283 1.685 -4.520 1.00 0.34 C ATOM 298 C VAL A 18 3.012 1.722 -3.010 1.00 0.33 C ATOM 299 O VAL A 18 2.751 0.684 -2.401 1.00 0.34 O ATOM 300 CB VAL A 18 4.782 1.747 -4.867 1.00 0.33 C ATOM 301 CG1 VAL A 18 5.600 0.753 -4.031 1.00 0.36 C ATOM 302 CG2 VAL A 18 4.997 1.413 -6.349 1.00 0.36 C ATOM 0 H VAL A 18 3.149 3.363 -5.754 1.00 0.33 H new ATOM 0 HA VAL A 18 2.921 0.719 -4.872 1.00 0.34 H new ATOM 0 HB VAL A 18 5.118 2.760 -4.648 1.00 0.33 H new ATOM 0 HG11 VAL A 18 6.652 0.827 -4.305 1.00 0.36 H new ATOM 0 HG12 VAL A 18 5.483 0.985 -2.972 1.00 0.36 H new ATOM 0 HG13 VAL A 18 5.246 -0.260 -4.221 1.00 0.36 H new ATOM 0 HG21 VAL A 18 6.061 1.460 -6.582 1.00 0.36 H new ATOM 0 HG22 VAL A 18 4.625 0.409 -6.553 1.00 0.36 H new ATOM 0 HG23 VAL A 18 4.458 2.132 -6.966 1.00 0.36 H new ATOM 312 N VAL A 19 3.052 2.907 -2.396 1.00 0.32 N ATOM 313 CA VAL A 19 2.799 3.047 -0.972 1.00 0.32 C ATOM 314 C VAL A 19 1.383 2.565 -0.665 1.00 0.33 C ATOM 315 O VAL A 19 1.189 1.788 0.264 1.00 0.32 O ATOM 316 CB VAL A 19 3.068 4.489 -0.505 1.00 0.32 C ATOM 317 CG1 VAL A 19 2.574 4.723 0.930 1.00 0.35 C ATOM 318 CG2 VAL A 19 4.575 4.781 -0.544 1.00 0.31 C ATOM 0 H VAL A 19 3.259 3.785 -2.872 1.00 0.32 H new ATOM 0 HA VAL A 19 3.489 2.422 -0.405 1.00 0.32 H new ATOM 0 HB VAL A 19 2.527 5.152 -1.181 1.00 0.32 H new ATOM 0 HG11 VAL A 19 2.782 5.752 1.223 1.00 0.35 H new ATOM 0 HG12 VAL A 19 1.500 4.541 0.979 1.00 0.35 H new ATOM 0 HG13 VAL A 19 3.089 4.042 1.608 1.00 0.35 H new ATOM 0 HG21 VAL A 19 4.756 5.803 -0.212 1.00 0.31 H new ATOM 0 HG22 VAL A 19 5.097 4.087 0.115 1.00 0.31 H new ATOM 0 HG23 VAL A 19 4.943 4.660 -1.563 1.00 0.31 H new ATOM 328 N VAL A 20 0.400 2.989 -1.460 1.00 0.35 N ATOM 329 CA VAL A 20 -0.979 2.557 -1.328 1.00 0.37 C ATOM 330 C VAL A 20 -1.064 1.028 -1.382 1.00 0.36 C ATOM 331 O VAL A 20 -1.683 0.420 -0.513 1.00 0.35 O ATOM 332 CB VAL A 20 -1.884 3.260 -2.357 1.00 0.40 C ATOM 333 CG1 VAL A 20 -3.276 2.617 -2.434 1.00 0.44 C ATOM 334 CG2 VAL A 20 -2.063 4.737 -1.978 1.00 0.41 C ATOM 0 H VAL A 20 0.548 3.651 -2.222 1.00 0.35 H new ATOM 0 HA VAL A 20 -1.357 2.857 -0.351 1.00 0.37 H new ATOM 0 HB VAL A 20 -1.396 3.163 -3.327 1.00 0.40 H new ATOM 0 HG11 VAL A 20 -3.880 3.145 -3.172 1.00 0.44 H new ATOM 0 HG12 VAL A 20 -3.178 1.571 -2.726 1.00 0.44 H new ATOM 0 HG13 VAL A 20 -3.759 2.678 -1.459 1.00 0.44 H new ATOM 0 HG21 VAL A 20 -2.704 5.226 -2.711 1.00 0.41 H new ATOM 0 HG22 VAL A 20 -2.521 4.807 -0.992 1.00 0.41 H new ATOM 0 HG23 VAL A 20 -1.090 5.229 -1.962 1.00 0.41 H new ATOM 344 N VAL A 21 -0.430 0.392 -2.370 1.00 0.36 N ATOM 345 CA VAL A 21 -0.400 -1.054 -2.477 1.00 0.35 C ATOM 346 C VAL A 21 0.187 -1.678 -1.205 1.00 0.32 C ATOM 347 O VAL A 21 -0.384 -2.619 -0.657 1.00 0.31 O ATOM 348 CB VAL A 21 0.386 -1.421 -3.744 1.00 0.38 C ATOM 349 CG1 VAL A 21 0.724 -2.907 -3.789 1.00 0.38 C ATOM 350 CG2 VAL A 21 -0.423 -1.068 -5.001 1.00 0.40 C ATOM 0 H VAL A 21 0.075 0.873 -3.115 1.00 0.36 H new ATOM 0 HA VAL A 21 -1.408 -1.459 -2.567 1.00 0.35 H new ATOM 0 HB VAL A 21 1.312 -0.847 -3.718 1.00 0.38 H new ATOM 0 HG11 VAL A 21 1.280 -3.126 -4.701 1.00 0.38 H new ATOM 0 HG12 VAL A 21 1.331 -3.169 -2.922 1.00 0.38 H new ATOM 0 HG13 VAL A 21 -0.197 -3.490 -3.777 1.00 0.38 H new ATOM 0 HG21 VAL A 21 0.150 -1.335 -5.889 1.00 0.40 H new ATOM 0 HG22 VAL A 21 -1.363 -1.620 -4.996 1.00 0.40 H new ATOM 0 HG23 VAL A 21 -0.631 0.002 -5.011 1.00 0.40 H new ATOM 360 N LEU A 22 1.313 -1.151 -0.718 1.00 0.32 N ATOM 361 CA LEU A 22 1.940 -1.607 0.511 1.00 0.31 C ATOM 362 C LEU A 22 0.949 -1.469 1.674 1.00 0.30 C ATOM 363 O LEU A 22 0.751 -2.411 2.438 1.00 0.28 O ATOM 364 CB LEU A 22 3.285 -0.862 0.668 1.00 0.33 C ATOM 365 CG LEU A 22 3.634 -0.379 2.077 1.00 0.37 C ATOM 366 CD1 LEU A 22 3.980 -1.539 3.018 1.00 0.41 C ATOM 367 CD2 LEU A 22 4.832 0.578 2.029 1.00 0.40 C ATOM 0 H LEU A 22 1.815 -0.389 -1.175 1.00 0.32 H new ATOM 0 HA LEU A 22 2.188 -2.668 0.494 1.00 0.31 H new ATOM 0 HB2 LEU A 22 4.083 -1.521 0.325 1.00 0.33 H new ATOM 0 HB3 LEU A 22 3.277 0.002 0.003 1.00 0.33 H new ATOM 0 HG LEU A 22 2.750 0.130 2.461 1.00 0.37 H new ATOM 0 HD11 LEU A 22 4.221 -1.147 4.006 1.00 0.41 H new ATOM 0 HD12 LEU A 22 3.127 -2.213 3.093 1.00 0.41 H new ATOM 0 HD13 LEU A 22 4.839 -2.083 2.625 1.00 0.41 H new ATOM 0 HD21 LEU A 22 5.070 0.914 3.038 1.00 0.40 H new ATOM 0 HD22 LEU A 22 5.694 0.061 1.606 1.00 0.40 H new ATOM 0 HD23 LEU A 22 4.585 1.439 1.408 1.00 0.40 H new ATOM 379 N VAL A 23 0.285 -0.321 1.799 1.00 0.31 N ATOM 380 CA VAL A 23 -0.661 -0.046 2.853 1.00 0.31 C ATOM 381 C VAL A 23 -1.835 -1.017 2.765 1.00 0.29 C ATOM 382 O VAL A 23 -2.283 -1.529 3.787 1.00 0.28 O ATOM 383 CB VAL A 23 -1.051 1.436 2.745 1.00 0.34 C ATOM 384 CG1 VAL A 23 -2.354 1.738 3.468 1.00 0.37 C ATOM 385 CG2 VAL A 23 0.066 2.319 3.318 1.00 0.36 C ATOM 0 H VAL A 23 0.400 0.456 1.148 1.00 0.31 H new ATOM 0 HA VAL A 23 -0.237 -0.205 3.844 1.00 0.31 H new ATOM 0 HB VAL A 23 -1.194 1.656 1.687 1.00 0.34 H new ATOM 0 HG11 VAL A 23 -2.590 2.797 3.365 1.00 0.37 H new ATOM 0 HG12 VAL A 23 -3.157 1.143 3.034 1.00 0.37 H new ATOM 0 HG13 VAL A 23 -2.250 1.491 4.524 1.00 0.37 H new ATOM 0 HG21 VAL A 23 -0.221 3.367 3.236 1.00 0.36 H new ATOM 0 HG22 VAL A 23 0.227 2.067 4.366 1.00 0.36 H new ATOM 0 HG23 VAL A 23 0.986 2.150 2.759 1.00 0.36 H new ATOM 395 N VAL A 24 -2.322 -1.317 1.561 1.00 0.30 N ATOM 396 CA VAL A 24 -3.353 -2.287 1.353 1.00 0.29 C ATOM 397 C VAL A 24 -2.861 -3.664 1.799 1.00 0.26 C ATOM 398 O VAL A 24 -3.553 -4.333 2.558 1.00 0.25 O ATOM 399 CB VAL A 24 -3.770 -2.178 -0.120 1.00 0.33 C ATOM 400 CG1 VAL A 24 -4.443 -3.447 -0.603 1.00 0.35 C ATOM 401 CG2 VAL A 24 -4.705 -0.978 -0.319 1.00 0.36 C ATOM 0 H VAL A 24 -1.995 -0.877 0.701 1.00 0.30 H new ATOM 0 HA VAL A 24 -4.243 -2.112 1.957 1.00 0.29 H new ATOM 0 HB VAL A 24 -2.866 -2.032 -0.711 1.00 0.33 H new ATOM 0 HG11 VAL A 24 -4.725 -3.334 -1.650 1.00 0.35 H new ATOM 0 HG12 VAL A 24 -3.754 -4.286 -0.501 1.00 0.35 H new ATOM 0 HG13 VAL A 24 -5.335 -3.636 -0.006 1.00 0.35 H new ATOM 0 HG21 VAL A 24 -4.994 -0.912 -1.368 1.00 0.36 H new ATOM 0 HG22 VAL A 24 -5.596 -1.106 0.295 1.00 0.36 H new ATOM 0 HG23 VAL A 24 -4.190 -0.063 -0.026 1.00 0.36 H new ATOM 411 N VAL A 25 -1.663 -4.087 1.392 1.00 0.27 N ATOM 412 CA VAL A 25 -1.064 -5.312 1.877 1.00 0.26 C ATOM 413 C VAL A 25 -0.984 -5.320 3.405 1.00 0.24 C ATOM 414 O VAL A 25 -1.253 -6.345 4.026 1.00 0.23 O ATOM 415 CB VAL A 25 0.286 -5.534 1.172 1.00 0.28 C ATOM 416 CG1 VAL A 25 1.353 -6.177 2.059 1.00 0.27 C ATOM 417 CG2 VAL A 25 0.036 -6.425 -0.045 1.00 0.32 C ATOM 0 H VAL A 25 -1.088 -3.583 0.717 1.00 0.27 H new ATOM 0 HA VAL A 25 -1.695 -6.165 1.626 1.00 0.26 H new ATOM 0 HB VAL A 25 0.677 -4.555 0.896 1.00 0.28 H new ATOM 0 HG11 VAL A 25 2.274 -6.300 1.489 1.00 0.27 H new ATOM 0 HG12 VAL A 25 1.542 -5.538 2.922 1.00 0.27 H new ATOM 0 HG13 VAL A 25 1.004 -7.152 2.399 1.00 0.27 H new ATOM 0 HG21 VAL A 25 0.977 -6.601 -0.567 1.00 0.32 H new ATOM 0 HG22 VAL A 25 -0.382 -7.378 0.281 1.00 0.32 H new ATOM 0 HG23 VAL A 25 -0.666 -5.933 -0.718 1.00 0.32 H new ATOM 427 N VAL A 26 -0.642 -4.188 4.020 1.00 0.25 N ATOM 428 CA VAL A 26 -0.558 -4.086 5.468 1.00 0.26 C ATOM 429 C VAL A 26 -1.956 -4.276 6.054 1.00 0.25 C ATOM 430 O VAL A 26 -2.117 -5.032 7.006 1.00 0.27 O ATOM 431 CB VAL A 26 0.114 -2.769 5.885 1.00 0.29 C ATOM 432 CG1 VAL A 26 -0.254 -2.308 7.301 1.00 0.33 C ATOM 433 CG2 VAL A 26 1.637 -2.892 5.756 1.00 0.31 C ATOM 0 H VAL A 26 -0.418 -3.323 3.528 1.00 0.25 H new ATOM 0 HA VAL A 26 0.078 -4.873 5.873 1.00 0.26 H new ATOM 0 HB VAL A 26 -0.264 -2.006 5.205 1.00 0.29 H new ATOM 0 HG11 VAL A 26 0.259 -1.372 7.524 1.00 0.33 H new ATOM 0 HG12 VAL A 26 -1.331 -2.156 7.366 1.00 0.33 H new ATOM 0 HG13 VAL A 26 0.049 -3.068 8.021 1.00 0.33 H new ATOM 0 HG21 VAL A 26 2.104 -1.953 6.054 1.00 0.31 H new ATOM 0 HG22 VAL A 26 1.993 -3.695 6.401 1.00 0.31 H new ATOM 0 HG23 VAL A 26 1.898 -3.115 4.721 1.00 0.31 H new ATOM 443 N ILE A 27 -2.972 -3.622 5.483 1.00 0.26 N ATOM 444 CA ILE A 27 -4.342 -3.745 5.937 1.00 0.27 C ATOM 445 C ILE A 27 -4.765 -5.214 5.820 1.00 0.26 C ATOM 446 O ILE A 27 -5.367 -5.772 6.736 1.00 0.28 O ATOM 447 CB ILE A 27 -5.231 -2.780 5.132 1.00 0.30 C ATOM 448 CG1 ILE A 27 -5.148 -1.383 5.775 1.00 0.35 C ATOM 449 CG2 ILE A 27 -6.700 -3.232 5.088 1.00 0.32 C ATOM 450 CD1 ILE A 27 -5.572 -0.270 4.812 1.00 0.37 C ATOM 0 H ILE A 27 -2.856 -2.992 4.690 1.00 0.26 H new ATOM 0 HA ILE A 27 -4.448 -3.462 6.984 1.00 0.27 H new ATOM 0 HB ILE A 27 -4.866 -2.764 4.105 1.00 0.30 H new ATOM 0 HG12 ILE A 27 -5.783 -1.355 6.660 1.00 0.35 H new ATOM 0 HG13 ILE A 27 -4.127 -1.200 6.110 1.00 0.35 H new ATOM 0 HG21 ILE A 27 -7.284 -2.517 4.508 1.00 0.32 H new ATOM 0 HG22 ILE A 27 -6.764 -4.215 4.622 1.00 0.32 H new ATOM 0 HG23 ILE A 27 -7.095 -3.285 6.103 1.00 0.32 H new ATOM 0 HD11 ILE A 27 -5.495 0.694 5.314 1.00 0.37 H new ATOM 0 HD12 ILE A 27 -4.920 -0.277 3.938 1.00 0.37 H new ATOM 0 HD13 ILE A 27 -6.603 -0.434 4.497 1.00 0.37 H new ATOM 462 N VAL A 28 -4.433 -5.848 4.693 1.00 0.26 N ATOM 463 CA VAL A 28 -4.814 -7.223 4.423 1.00 0.28 C ATOM 464 C VAL A 28 -4.146 -8.143 5.442 1.00 0.25 C ATOM 465 O VAL A 28 -4.823 -8.931 6.096 1.00 0.27 O ATOM 466 CB VAL A 28 -4.492 -7.577 2.961 1.00 0.33 C ATOM 467 CG1 VAL A 28 -4.548 -9.086 2.710 1.00 0.37 C ATOM 468 CG2 VAL A 28 -5.498 -6.894 2.023 1.00 0.39 C ATOM 0 H VAL A 28 -3.891 -5.415 3.945 1.00 0.26 H new ATOM 0 HA VAL A 28 -5.889 -7.358 4.538 1.00 0.28 H new ATOM 0 HB VAL A 28 -3.479 -7.227 2.763 1.00 0.33 H new ATOM 0 HG11 VAL A 28 -4.314 -9.290 1.665 1.00 0.37 H new ATOM 0 HG12 VAL A 28 -3.822 -9.588 3.349 1.00 0.37 H new ATOM 0 HG13 VAL A 28 -5.548 -9.456 2.937 1.00 0.37 H new ATOM 0 HG21 VAL A 28 -5.263 -7.149 0.990 1.00 0.39 H new ATOM 0 HG22 VAL A 28 -6.506 -7.234 2.261 1.00 0.39 H new ATOM 0 HG23 VAL A 28 -5.440 -5.813 2.152 1.00 0.39 H new ATOM 478 N GLY A 29 -2.828 -8.033 5.611 1.00 0.24 N ATOM 479 CA GLY A 29 -2.116 -8.788 6.631 1.00 0.25 C ATOM 480 C GLY A 29 -2.736 -8.568 8.010 1.00 0.26 C ATOM 481 O GLY A 29 -3.039 -9.528 8.713 1.00 0.30 O ATOM 0 H GLY A 29 -2.233 -7.424 5.049 1.00 0.24 H new ATOM 0 HA2 GLY A 29 -2.138 -9.849 6.384 1.00 0.25 H new ATOM 0 HA3 GLY A 29 -1.069 -8.486 6.647 1.00 0.25 H new ATOM 485 N ALA A 30 -2.951 -7.307 8.386 1.00 0.27 N ATOM 486 CA ALA A 30 -3.545 -6.944 9.666 1.00 0.35 C ATOM 487 C ALA A 30 -4.906 -7.614 9.857 1.00 0.41 C ATOM 488 O ALA A 30 -5.199 -8.103 10.946 1.00 0.57 O ATOM 489 CB ALA A 30 -3.656 -5.422 9.785 1.00 0.39 C ATOM 0 H ALA A 30 -2.714 -6.504 7.803 1.00 0.27 H new ATOM 0 HA ALA A 30 -2.892 -7.305 10.461 1.00 0.35 H new ATOM 0 HB1 ALA A 30 -4.101 -5.164 10.746 1.00 0.39 H new ATOM 0 HB2 ALA A 30 -2.663 -4.978 9.714 1.00 0.39 H new ATOM 0 HB3 ALA A 30 -4.283 -5.039 8.980 1.00 0.39 H new ATOM 495 N LEU A 31 -5.735 -7.654 8.809 1.00 0.36 N ATOM 496 CA LEU A 31 -6.988 -8.362 8.823 1.00 0.42 C ATOM 497 C LEU A 31 -6.699 -9.851 9.064 1.00 0.50 C ATOM 498 O LEU A 31 -7.156 -10.393 10.066 1.00 0.76 O ATOM 499 CB LEU A 31 -7.731 -7.997 7.527 1.00 0.39 C ATOM 500 CG LEU A 31 -8.773 -9.027 7.125 1.00 0.51 C ATOM 501 CD1 LEU A 31 -9.914 -9.137 8.143 1.00 0.63 C ATOM 502 CD2 LEU A 31 -9.334 -8.714 5.734 1.00 0.54 C ATOM 0 H LEU A 31 -5.539 -7.186 7.924 1.00 0.36 H new ATOM 0 HA LEU A 31 -7.660 -8.082 9.635 1.00 0.42 H new ATOM 0 HB2 LEU A 31 -8.216 -7.029 7.654 1.00 0.39 H new ATOM 0 HB3 LEU A 31 -7.007 -7.887 6.719 1.00 0.39 H new ATOM 0 HG LEU A 31 -8.267 -9.992 7.100 1.00 0.51 H new ATOM 0 HD11 LEU A 31 -10.630 -9.887 7.807 1.00 0.63 H new ATOM 0 HD12 LEU A 31 -9.510 -9.430 9.112 1.00 0.63 H new ATOM 0 HD13 LEU A 31 -10.414 -8.173 8.235 1.00 0.63 H new ATOM 0 HD21 LEU A 31 -10.078 -9.463 5.465 1.00 0.54 H new ATOM 0 HD22 LEU A 31 -9.798 -7.728 5.742 1.00 0.54 H new ATOM 0 HD23 LEU A 31 -8.525 -8.728 5.004 1.00 0.54 H new ATOM 514 N LEU A 32 -5.897 -10.487 8.200 1.00 0.37 N ATOM 515 CA LEU A 32 -5.640 -11.926 8.236 1.00 0.43 C ATOM 516 C LEU A 32 -5.090 -12.389 9.587 1.00 0.43 C ATOM 517 O LEU A 32 -5.408 -13.482 10.050 1.00 0.56 O ATOM 518 CB LEU A 32 -4.674 -12.316 7.108 1.00 0.59 C ATOM 519 CG LEU A 32 -5.291 -12.195 5.703 1.00 1.00 C ATOM 520 CD1 LEU A 32 -4.172 -12.278 4.659 1.00 1.67 C ATOM 521 CD2 LEU A 32 -6.313 -13.307 5.433 1.00 1.65 C ATOM 0 H LEU A 32 -5.404 -10.007 7.448 1.00 0.37 H new ATOM 0 HA LEU A 32 -6.596 -12.429 8.091 1.00 0.43 H new ATOM 0 HB2 LEU A 32 -3.789 -11.683 7.163 1.00 0.59 H new ATOM 0 HB3 LEU A 32 -4.342 -13.342 7.263 1.00 0.59 H new ATOM 0 HG LEU A 32 -5.810 -11.238 5.641 1.00 1.00 H new ATOM 0 HD11 LEU A 32 -4.599 -12.193 3.660 1.00 1.67 H new ATOM 0 HD12 LEU A 32 -3.463 -11.466 4.820 1.00 1.67 H new ATOM 0 HD13 LEU A 32 -3.657 -13.234 4.753 1.00 1.67 H new ATOM 0 HD21 LEU A 32 -6.726 -13.187 4.431 1.00 1.65 H new ATOM 0 HD22 LEU A 32 -5.823 -14.278 5.509 1.00 1.65 H new ATOM 0 HD23 LEU A 32 -7.117 -13.248 6.166 1.00 1.65 H new ATOM 533 N MET A 33 -4.248 -11.571 10.223 1.00 0.38 N ATOM 534 CA MET A 33 -3.727 -11.854 11.556 1.00 0.48 C ATOM 535 C MET A 33 -4.861 -12.032 12.575 1.00 0.66 C ATOM 536 O MET A 33 -4.697 -12.767 13.547 1.00 0.93 O ATOM 537 CB MET A 33 -2.763 -10.737 11.973 1.00 0.52 C ATOM 538 CG MET A 33 -1.451 -10.821 11.184 1.00 1.93 C ATOM 539 SD MET A 33 -0.416 -9.340 11.286 1.00 2.74 S ATOM 540 CE MET A 33 0.918 -9.808 10.164 1.00 3.88 C ATOM 0 H MET A 33 -3.910 -10.695 9.826 1.00 0.38 H new ATOM 0 HA MET A 33 -3.181 -12.797 11.530 1.00 0.48 H new ATOM 0 HB2 MET A 33 -3.231 -9.767 11.806 1.00 0.52 H new ATOM 0 HB3 MET A 33 -2.555 -10.811 13.040 1.00 0.52 H new ATOM 0 HG2 MET A 33 -0.878 -11.675 11.546 1.00 1.93 H new ATOM 0 HG3 MET A 33 -1.684 -11.015 10.137 1.00 1.93 H new ATOM 0 HE1 MET A 33 1.648 -9.001 10.110 1.00 3.88 H new ATOM 0 HE2 MET A 33 1.403 -10.712 10.532 1.00 3.88 H new ATOM 0 HE3 MET A 33 0.510 -9.994 9.171 1.00 3.88 H new ATOM 550 N GLY A 34 -5.997 -11.362 12.362 1.00 0.79 N ATOM 551 CA GLY A 34 -7.204 -11.532 13.148 1.00 1.33 C ATOM 552 C GLY A 34 -8.106 -12.611 12.547 1.00 3.11 C ATOM 553 O GLY A 34 -8.328 -13.645 13.176 1.00 4.21 O ATOM 0 H GLY A 34 -6.097 -10.671 11.618 1.00 0.79 H new ATOM 0 HA2 GLY A 34 -6.941 -11.802 14.171 1.00 1.33 H new ATOM 0 HA3 GLY A 34 -7.745 -10.587 13.197 1.00 1.33 H new ATOM 557 N LEU A 35 -8.677 -12.336 11.372 1.00 3.84 N ATOM 558 CA LEU A 35 -9.647 -13.164 10.679 1.00 5.82 C ATOM 559 C LEU A 35 -9.207 -13.250 9.218 1.00 6.82 C ATOM 560 O LEU A 35 -9.201 -14.349 8.669 1.00 8.10 O ATOM 561 CB LEU A 35 -11.037 -12.506 10.734 1.00 6.45 C ATOM 562 CG LEU A 35 -11.850 -12.610 12.039 1.00 7.08 C ATOM 563 CD1 LEU A 35 -11.963 -14.048 12.557 1.00 8.51 C ATOM 564 CD2 LEU A 35 -11.358 -11.676 13.152 1.00 6.67 C ATOM 565 OXT LEU A 35 -9.031 -12.193 8.614 1.00 6.80 O ATOM 0 H LEU A 35 -8.459 -11.483 10.857 1.00 3.84 H new ATOM 0 HA LEU A 35 -9.702 -14.149 11.142 1.00 5.82 H new ATOM 0 HB2 LEU A 35 -10.912 -11.448 10.505 1.00 6.45 H new ATOM 0 HB3 LEU A 35 -11.639 -12.936 9.934 1.00 6.45 H new ATOM 0 HG LEU A 35 -12.848 -12.272 11.760 1.00 7.08 H new ATOM 0 HD11 LEU A 35 -12.546 -14.058 13.478 1.00 8.51 H new ATOM 0 HD12 LEU A 35 -12.457 -14.667 11.808 1.00 8.51 H new ATOM 0 HD13 LEU A 35 -10.966 -14.443 12.754 1.00 8.51 H new ATOM 0 HD21 LEU A 35 -11.980 -11.807 14.038 1.00 6.67 H new ATOM 0 HD22 LEU A 35 -10.323 -11.915 13.396 1.00 6.67 H new ATOM 0 HD23 LEU A 35 -11.421 -10.642 12.814 1.00 6.67 H new TER 577 LEU A 35