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+ -127:sc= -0.278 (180deg=-2.45!) USER MOD Single : A 5 CYS SG : rot 180:sc= -0.012 USER MOD Single : A 6 CYS SG : rot 180:sc= -0.776 USER MOD Single : A 9 ASN : amide:sc= -0.072 K(o=-0.072,f=-1.8!) 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 3.605 12.642 -24.608 1.00 16.10 N ATOM 2 CA LEU A 1 3.625 11.233 -25.041 1.00 16.00 C ATOM 3 C LEU A 1 4.933 10.672 -24.503 1.00 15.31 C ATOM 4 O LEU A 1 5.826 11.491 -24.293 1.00 15.00 O ATOM 5 CB LEU A 1 3.594 11.098 -26.573 1.00 16.48 C ATOM 6 CG LEU A 1 2.238 11.346 -27.261 1.00 17.41 C ATOM 7 CD1 LEU A 1 1.174 10.329 -26.831 1.00 18.39 C ATOM 8 CD2 LEU A 1 1.698 12.770 -27.092 1.00 17.17 C ATOM 0 H1 LEU A 1 2.715 12.838 -24.107 1.00 16.10 H new ATOM 0 H2 LEU A 1 4.408 12.821 -23.972 1.00 16.10 H new ATOM 0 H3 LEU A 1 3.678 13.262 -25.440 1.00 16.10 H new ATOM 0 HA LEU A 1 2.748 10.703 -24.671 1.00 16.00 H new ATOM 0 HB2 LEU A 1 4.320 11.795 -26.991 1.00 16.48 H new ATOM 0 HB3 LEU A 1 3.929 10.094 -26.833 1.00 16.48 H new ATOM 0 HG LEU A 1 2.449 11.213 -28.322 1.00 17.41 H new ATOM 0 HD11 LEU A 1 0.236 10.545 -27.343 1.00 18.39 H new ATOM 0 HD12 LEU A 1 1.506 9.324 -27.091 1.00 18.39 H new ATOM 0 HD13 LEU A 1 1.023 10.394 -25.753 1.00 18.39 H new ATOM 0 HD21 LEU A 1 0.741 12.860 -27.606 1.00 17.17 H new ATOM 0 HD22 LEU A 1 1.562 12.984 -26.032 1.00 17.17 H new ATOM 0 HD23 LEU A 1 2.406 13.481 -27.518 1.00 17.17 H new ATOM 22 N ARG A 2 5.026 9.353 -24.279 1.00 15.34 N ATOM 23 CA ARG A 2 6.116 8.674 -23.568 1.00 15.01 C ATOM 24 C ARG A 2 6.462 9.343 -22.226 1.00 13.32 C ATOM 25 O ARG A 2 5.807 10.295 -21.803 1.00 12.64 O ATOM 26 CB ARG A 2 7.341 8.429 -24.480 1.00 15.65 C ATOM 27 CG ARG A 2 7.942 9.690 -25.117 1.00 15.48 C ATOM 28 CD ARG A 2 9.348 9.452 -25.685 1.00 16.06 C ATOM 29 NE ARG A 2 10.382 9.881 -24.726 1.00 15.71 N ATOM 30 CZ ARG A 2 11.682 10.041 -25.017 1.00 16.25 C ATOM 31 NH1 ARG A 2 12.171 9.547 -26.159 1.00 17.27 N ATOM 32 NH2 ARG A 2 12.483 10.704 -24.178 1.00 16.08 N ATOM 0 H ARG A 2 4.311 8.702 -24.604 1.00 15.34 H new ATOM 0 HA ARG A 2 5.749 7.684 -23.297 1.00 15.01 H new ATOM 0 HB2 ARG A 2 8.115 7.932 -23.896 1.00 15.65 H new ATOM 0 HB3 ARG A 2 7.051 7.742 -25.275 1.00 15.65 H new ATOM 0 HG2 ARG A 2 7.286 10.037 -25.915 1.00 15.48 H new ATOM 0 HG3 ARG A 2 7.985 10.484 -24.371 1.00 15.48 H new ATOM 0 HD2 ARG A 2 9.477 8.395 -25.916 1.00 16.06 H new ATOM 0 HD3 ARG A 2 9.464 9.999 -26.620 1.00 16.06 H new ATOM 0 HE ARG A 2 10.087 10.071 -23.768 1.00 15.71 H new ATOM 0 HH11 ARG A 2 11.557 9.051 -26.805 1.00 17.27 H new ATOM 0 HH12 ARG A 2 13.159 9.666 -26.385 1.00 17.27 H new ATOM 0 HH21 ARG A 2 12.107 11.091 -23.312 1.00 16.08 H new ATOM 0 HH22 ARG A 2 13.471 10.823 -24.403 1.00 16.08 H new ATOM 46 N ILE A 3 7.493 8.844 -21.540 1.00 12.86 N ATOM 47 CA ILE A 3 8.126 9.588 -20.471 1.00 11.34 C ATOM 48 C ILE A 3 8.963 10.691 -21.133 1.00 9.84 C ATOM 49 O ILE A 3 9.567 10.437 -22.180 1.00 10.24 O ATOM 50 CB ILE A 3 8.964 8.644 -19.589 1.00 12.08 C ATOM 51 CG1 ILE A 3 10.081 7.903 -20.352 1.00 13.29 C ATOM 52 CG2 ILE A 3 8.031 7.657 -18.872 1.00 12.81 C ATOM 53 CD1 ILE A 3 11.014 7.123 -19.420 1.00 14.03 C ATOM 0 H ILE A 3 7.901 7.925 -21.713 1.00 12.86 H new ATOM 0 HA ILE A 3 7.396 10.045 -19.803 1.00 11.34 H new ATOM 0 HB ILE A 3 9.484 9.264 -18.859 1.00 12.08 H new ATOM 0 HG12 ILE A 3 9.632 7.216 -21.069 1.00 13.29 H new ATOM 0 HG13 ILE A 3 10.665 8.624 -20.924 1.00 13.29 H new ATOM 0 HG21 ILE A 3 8.621 6.987 -18.247 1.00 12.81 H new ATOM 0 HG22 ILE A 3 7.327 8.209 -18.249 1.00 12.81 H new ATOM 0 HG23 ILE A 3 7.482 7.074 -19.611 1.00 12.81 H new ATOM 0 HD11 ILE A 3 11.781 6.621 -20.010 1.00 14.03 H new ATOM 0 HD12 ILE A 3 11.487 7.811 -18.720 1.00 14.03 H new ATOM 0 HD13 ILE A 3 10.438 6.381 -18.867 1.00 14.03 H new ATOM 65 N PRO A 4 8.997 11.915 -20.586 1.00 8.59 N ATOM 66 CA PRO A 4 9.709 13.011 -21.216 1.00 7.61 C ATOM 67 C PRO A 4 11.206 12.710 -21.248 1.00 7.29 C ATOM 68 O PRO A 4 11.782 12.490 -22.313 1.00 7.91 O ATOM 69 CB PRO A 4 9.343 14.266 -20.417 1.00 7.24 C ATOM 70 CG PRO A 4 8.853 13.742 -19.064 1.00 7.72 C ATOM 71 CD PRO A 4 8.311 12.346 -19.380 1.00 8.74 C ATOM 0 HA PRO A 4 9.429 13.160 -22.259 1.00 7.61 H new ATOM 0 HB2 PRO A 4 10.204 14.924 -20.298 1.00 7.24 H new ATOM 0 HB3 PRO A 4 8.568 14.844 -20.921 1.00 7.24 H new ATOM 0 HG2 PRO A 4 9.663 13.700 -18.336 1.00 7.72 H new ATOM 0 HG3 PRO A 4 8.079 14.385 -18.644 1.00 7.72 H new ATOM 0 HD2 PRO A 4 8.500 11.658 -18.556 1.00 8.74 H new ATOM 0 HD3 PRO A 4 7.232 12.371 -19.532 1.00 8.74 H new ATOM 79 N CYS A 5 11.823 12.656 -20.071 1.00 6.86 N ATOM 80 CA CYS A 5 13.243 12.399 -19.887 1.00 7.24 C ATOM 81 C CYS A 5 13.423 12.024 -18.419 1.00 6.80 C ATOM 82 O CYS A 5 14.012 12.768 -17.642 1.00 6.83 O ATOM 83 CB CYS A 5 14.073 13.626 -20.279 1.00 7.93 C ATOM 84 SG CYS A 5 15.820 13.167 -20.180 1.00 9.67 S ATOM 0 H CYS A 5 11.328 12.795 -19.190 1.00 6.86 H new ATOM 0 HA CYS A 5 13.593 11.590 -20.528 1.00 7.24 H new ATOM 0 HB2 CYS A 5 13.820 13.952 -21.288 1.00 7.93 H new ATOM 0 HB3 CYS A 5 13.859 14.461 -19.612 1.00 7.93 H new ATOM 0 HG CYS A 5 16.556 14.187 -20.509 1.00 9.67 H new ATOM 90 N CYS A 6 12.797 10.895 -18.067 1.00 6.84 N ATOM 91 CA CYS A 6 12.489 10.403 -16.724 1.00 6.84 C ATOM 92 C CYS A 6 11.130 10.973 -16.301 1.00 5.13 C ATOM 93 O CYS A 6 10.869 12.146 -16.570 1.00 4.91 O ATOM 94 CB CYS A 6 13.581 10.753 -15.711 1.00 7.90 C ATOM 95 SG CYS A 6 13.214 9.994 -14.116 1.00 8.97 S ATOM 0 H CYS A 6 12.464 10.246 -18.780 1.00 6.84 H new ATOM 0 HA CYS A 6 12.445 9.314 -16.747 1.00 6.84 H new ATOM 0 HB2 CYS A 6 14.549 10.406 -16.073 1.00 7.90 H new ATOM 0 HB3 CYS A 6 13.651 11.835 -15.600 1.00 7.90 H new ATOM 0 HG CYS A 6 14.150 10.297 -13.266 1.00 8.97 H new ATOM 101 N PRO A 7 10.211 10.175 -15.728 1.00 4.57 N ATOM 102 CA PRO A 7 8.930 10.691 -15.271 1.00 3.39 C ATOM 103 C PRO A 7 9.125 11.749 -14.178 1.00 2.76 C ATOM 104 O PRO A 7 9.936 11.574 -13.274 1.00 2.68 O ATOM 105 CB PRO A 7 8.132 9.478 -14.780 1.00 4.37 C ATOM 106 CG PRO A 7 9.204 8.430 -14.484 1.00 5.73 C ATOM 107 CD PRO A 7 10.288 8.738 -15.514 1.00 5.84 C ATOM 0 HA PRO A 7 8.389 11.198 -16.070 1.00 3.39 H new ATOM 0 HB2 PRO A 7 7.549 9.716 -13.890 1.00 4.37 H new ATOM 0 HB3 PRO A 7 7.430 9.129 -15.537 1.00 4.37 H new ATOM 0 HG2 PRO A 7 9.581 8.516 -13.465 1.00 5.73 H new ATOM 0 HG3 PRO A 7 8.818 7.417 -14.596 1.00 5.73 H new ATOM 0 HD2 PRO A 7 11.273 8.446 -15.149 1.00 5.84 H new ATOM 0 HD3 PRO A 7 10.117 8.192 -16.442 1.00 5.84 H new ATOM 115 N VAL A 8 8.367 12.846 -14.285 1.00 2.80 N ATOM 116 CA VAL A 8 8.395 13.991 -13.382 1.00 2.56 C ATOM 117 C VAL A 8 7.564 13.654 -12.139 1.00 2.02 C ATOM 118 O VAL A 8 7.710 12.580 -11.568 1.00 2.71 O ATOM 119 CB VAL A 8 7.997 15.284 -14.134 1.00 3.44 C ATOM 120 CG1 VAL A 8 8.514 16.533 -13.401 1.00 3.53 C ATOM 121 CG2 VAL A 8 8.601 15.321 -15.548 1.00 5.10 C ATOM 0 H VAL A 8 7.689 12.960 -15.038 1.00 2.80 H new ATOM 0 HA VAL A 8 9.402 14.200 -13.020 1.00 2.56 H new ATOM 0 HB VAL A 8 6.908 15.283 -14.182 1.00 3.44 H new ATOM 0 HG11 VAL A 8 8.220 17.426 -13.952 1.00 3.53 H new ATOM 0 HG12 VAL A 8 8.088 16.569 -12.398 1.00 3.53 H new ATOM 0 HG13 VAL A 8 9.601 16.491 -13.333 1.00 3.53 H new ATOM 0 HG21 VAL A 8 8.301 16.242 -16.048 1.00 5.10 H new ATOM 0 HG22 VAL A 8 9.688 15.282 -15.480 1.00 5.10 H new ATOM 0 HG23 VAL A 8 8.242 14.465 -16.120 1.00 5.10 H new ATOM 131 N ASN A 9 6.686 14.550 -11.694 1.00 1.80 N ATOM 132 CA ASN A 9 5.745 14.316 -10.596 1.00 1.42 C ATOM 133 C ASN A 9 5.008 12.969 -10.699 1.00 1.03 C ATOM 134 O ASN A 9 4.645 12.385 -9.679 1.00 1.08 O ATOM 135 CB ASN A 9 4.738 15.470 -10.506 1.00 1.38 C ATOM 136 CG ASN A 9 3.835 15.519 -11.735 1.00 2.74 C ATOM 137 OD1 ASN A 9 4.322 15.697 -12.846 1.00 4.42 O ATOM 138 ND2 ASN A 9 2.529 15.343 -11.559 1.00 3.18 N ATOM 0 H ASN A 9 6.606 15.484 -12.096 1.00 1.80 H new ATOM 0 HA ASN A 9 6.339 14.272 -9.683 1.00 1.42 H new ATOM 0 HB2 ASN A 9 4.129 15.354 -9.610 1.00 1.38 H new ATOM 0 HB3 ASN A 9 5.273 16.415 -10.408 1.00 1.38 H new ATOM 0 HD21 ASN A 9 1.900 15.354 -12.362 1.00 3.18 H new ATOM 0 HD22 ASN A 9 2.156 15.197 -10.621 1.00 3.18 H new ATOM 145 N LEU A 10 4.823 12.448 -11.917 1.00 0.95 N ATOM 146 CA LEU A 10 4.244 11.130 -12.159 1.00 0.81 C ATOM 147 C LEU A 10 5.012 10.063 -11.373 1.00 0.70 C ATOM 148 O LEU A 10 4.419 9.110 -10.876 1.00 0.64 O ATOM 149 CB LEU A 10 4.287 10.796 -13.661 1.00 1.19 C ATOM 150 CG LEU A 10 3.244 11.495 -14.554 1.00 1.63 C ATOM 151 CD1 LEU A 10 1.810 11.086 -14.198 1.00 3.11 C ATOM 152 CD2 LEU A 10 3.367 13.022 -14.554 1.00 2.84 C ATOM 0 H LEU A 10 5.077 12.941 -12.773 1.00 0.95 H new ATOM 0 HA LEU A 10 3.206 11.142 -11.826 1.00 0.81 H new ATOM 0 HB2 LEU A 10 5.279 11.045 -14.037 1.00 1.19 H new ATOM 0 HB3 LEU A 10 4.165 9.719 -13.774 1.00 1.19 H new ATOM 0 HG LEU A 10 3.466 11.151 -15.564 1.00 1.63 H new ATOM 0 HD11 LEU A 10 1.110 11.604 -14.854 1.00 3.11 H new ATOM 0 HD12 LEU A 10 1.697 10.009 -14.325 1.00 3.11 H new ATOM 0 HD13 LEU A 10 1.602 11.353 -13.162 1.00 3.11 H new ATOM 0 HD21 LEU A 10 2.602 13.449 -15.203 1.00 2.84 H new ATOM 0 HD22 LEU A 10 3.233 13.398 -13.540 1.00 2.84 H new ATOM 0 HD23 LEU A 10 4.353 13.308 -14.919 1.00 2.84 H new ATOM 164 N LYS A 11 6.328 10.228 -11.236 1.00 0.76 N ATOM 165 CA LYS A 11 7.160 9.340 -10.445 1.00 0.72 C ATOM 166 C LYS A 11 6.659 9.310 -9.004 1.00 0.50 C ATOM 167 O LYS A 11 6.403 8.235 -8.467 1.00 0.55 O ATOM 168 CB LYS A 11 8.633 9.773 -10.523 1.00 0.86 C ATOM 169 CG LYS A 11 9.590 8.923 -9.683 1.00 1.64 C ATOM 170 CD LYS A 11 9.544 7.457 -10.117 1.00 3.03 C ATOM 171 CE LYS A 11 10.672 6.674 -9.442 1.00 3.49 C ATOM 172 NZ LYS A 11 10.696 5.280 -9.916 1.00 4.63 N ATOM 0 H LYS A 11 6.844 10.989 -11.677 1.00 0.76 H new ATOM 0 HA LYS A 11 7.095 8.329 -10.848 1.00 0.72 H new ATOM 0 HB2 LYS A 11 8.954 9.738 -11.564 1.00 0.86 H new ATOM 0 HB3 LYS A 11 8.711 10.811 -10.200 1.00 0.86 H new ATOM 0 HG2 LYS A 11 10.606 9.305 -9.785 1.00 1.64 H new ATOM 0 HG3 LYS A 11 9.324 9.003 -8.629 1.00 1.64 H new ATOM 0 HD2 LYS A 11 8.580 7.022 -9.854 1.00 3.03 H new ATOM 0 HD3 LYS A 11 9.640 7.387 -11.201 1.00 3.03 H new ATOM 0 HE2 LYS A 11 11.629 7.151 -9.653 1.00 3.49 H new ATOM 0 HE3 LYS A 11 10.538 6.693 -8.360 1.00 3.49 H new ATOM 0 HZ1 LYS A 11 11.469 4.767 -9.446 1.00 4.63 H new ATOM 0 HZ2 LYS A 11 9.789 4.822 -9.693 1.00 4.63 H new ATOM 0 HZ3 LYS A 11 10.847 5.266 -10.945 1.00 4.63 H new ATOM 186 N ARG A 12 6.527 10.475 -8.359 1.00 0.43 N ATOM 187 CA ARG A 12 6.104 10.481 -6.967 1.00 0.39 C ATOM 188 C ARG A 12 4.642 10.056 -6.828 1.00 0.31 C ATOM 189 O ARG A 12 4.264 9.458 -5.824 1.00 0.39 O ATOM 190 CB ARG A 12 6.451 11.785 -6.234 1.00 0.70 C ATOM 191 CG ARG A 12 5.621 13.010 -6.632 1.00 1.56 C ATOM 192 CD ARG A 12 5.998 14.194 -5.731 1.00 2.15 C ATOM 193 NE ARG A 12 5.179 15.382 -6.023 1.00 3.56 N ATOM 194 CZ ARG A 12 5.294 16.561 -5.388 1.00 4.65 C ATOM 195 NH1 ARG A 12 6.220 16.716 -4.435 1.00 4.87 N ATOM 196 NH2 ARG A 12 4.486 17.579 -5.707 1.00 6.16 N ATOM 0 H ARG A 12 6.702 11.393 -8.767 1.00 0.43 H new ATOM 0 HA ARG A 12 6.691 9.723 -6.448 1.00 0.39 H new ATOM 0 HB2 ARG A 12 6.333 11.621 -5.163 1.00 0.70 H new ATOM 0 HB3 ARG A 12 7.503 12.009 -6.408 1.00 0.70 H new ATOM 0 HG2 ARG A 12 5.802 13.262 -7.677 1.00 1.56 H new ATOM 0 HG3 ARG A 12 4.558 12.790 -6.536 1.00 1.56 H new ATOM 0 HD2 ARG A 12 5.870 13.911 -4.686 1.00 2.15 H new ATOM 0 HD3 ARG A 12 7.052 14.435 -5.869 1.00 2.15 H new ATOM 0 HE ARG A 12 4.476 15.305 -6.758 1.00 3.56 H new ATOM 0 HH11 ARG A 12 6.836 15.941 -4.192 1.00 4.87 H new ATOM 0 HH12 ARG A 12 6.310 17.610 -3.951 1.00 4.87 H new ATOM 0 HH21 ARG A 12 3.780 17.461 -6.434 1.00 6.16 H new ATOM 0 HH22 ARG A 12 4.576 18.472 -5.223 1.00 6.16 H new ATOM 210 N LEU A 13 3.841 10.268 -7.873 1.00 0.31 N ATOM 211 CA LEU A 13 2.505 9.693 -7.954 1.00 0.38 C ATOM 212 C LEU A 13 2.622 8.165 -7.879 1.00 0.38 C ATOM 213 O LEU A 13 1.988 7.524 -7.045 1.00 0.48 O ATOM 214 CB LEU A 13 1.789 10.189 -9.219 1.00 0.42 C ATOM 215 CG LEU A 13 0.253 10.246 -9.148 1.00 0.96 C ATOM 216 CD1 LEU A 13 -0.380 8.908 -8.755 1.00 1.77 C ATOM 217 CD2 LEU A 13 -0.245 11.361 -8.219 1.00 2.92 C ATOM 0 H LEU A 13 4.100 10.838 -8.678 1.00 0.31 H new ATOM 0 HA LEU A 13 1.890 10.018 -7.115 1.00 0.38 H new ATOM 0 HB2 LEU A 13 2.159 11.187 -9.454 1.00 0.42 H new ATOM 0 HB3 LEU A 13 2.070 9.541 -10.049 1.00 0.42 H new ATOM 0 HG LEU A 13 -0.071 10.475 -10.163 1.00 0.96 H new ATOM 0 HD11 LEU A 13 -1.464 9.014 -8.722 1.00 1.77 H new ATOM 0 HD12 LEU A 13 -0.112 8.149 -9.490 1.00 1.77 H new ATOM 0 HD13 LEU A 13 -0.015 8.607 -7.773 1.00 1.77 H new ATOM 0 HD21 LEU A 13 -1.335 11.361 -8.202 1.00 2.92 H new ATOM 0 HD22 LEU A 13 0.134 11.191 -7.211 1.00 2.92 H new ATOM 0 HD23 LEU A 13 0.112 12.324 -8.583 1.00 2.92 H new ATOM 229 N LEU A 14 3.485 7.578 -8.713 1.00 0.33 N ATOM 230 CA LEU A 14 3.757 6.151 -8.693 1.00 0.41 C ATOM 231 C LEU A 14 4.197 5.693 -7.303 1.00 0.38 C ATOM 232 O LEU A 14 3.702 4.690 -6.796 1.00 0.44 O ATOM 233 CB LEU A 14 4.793 5.781 -9.766 1.00 0.45 C ATOM 234 CG LEU A 14 4.704 4.309 -10.203 1.00 0.66 C ATOM 235 CD1 LEU A 14 3.469 4.036 -11.074 1.00 2.13 C ATOM 236 CD2 LEU A 14 5.962 3.945 -10.998 1.00 1.61 C ATOM 0 H LEU A 14 4.013 8.088 -9.421 1.00 0.33 H new ATOM 0 HA LEU A 14 2.832 5.624 -8.929 1.00 0.41 H new ATOM 0 HB2 LEU A 14 4.652 6.422 -10.636 1.00 0.45 H new ATOM 0 HB3 LEU A 14 5.793 5.981 -9.382 1.00 0.45 H new ATOM 0 HG LEU A 14 4.620 3.701 -9.302 1.00 0.66 H new ATOM 0 HD11 LEU A 14 3.449 2.984 -11.358 1.00 2.13 H new ATOM 0 HD12 LEU A 14 2.567 4.277 -10.512 1.00 2.13 H new ATOM 0 HD13 LEU A 14 3.513 4.653 -11.971 1.00 2.13 H new ATOM 0 HD21 LEU A 14 5.906 2.902 -11.311 1.00 1.61 H new ATOM 0 HD22 LEU A 14 6.034 4.585 -11.878 1.00 1.61 H new ATOM 0 HD23 LEU A 14 6.842 4.089 -10.372 1.00 1.61 H new ATOM 248 N VAL A 15 5.106 6.435 -6.669 1.00 0.28 N ATOM 249 CA VAL A 15 5.505 6.149 -5.292 1.00 0.29 C ATOM 250 C VAL A 15 4.271 6.119 -4.379 1.00 0.33 C ATOM 251 O VAL A 15 4.098 5.166 -3.621 1.00 0.37 O ATOM 252 CB VAL A 15 6.587 7.124 -4.793 1.00 0.28 C ATOM 253 CG1 VAL A 15 6.915 6.889 -3.311 1.00 0.40 C ATOM 254 CG2 VAL A 15 7.885 6.954 -5.595 1.00 0.32 C ATOM 0 H VAL A 15 5.578 7.237 -7.087 1.00 0.28 H new ATOM 0 HA VAL A 15 5.962 5.160 -5.264 1.00 0.29 H new ATOM 0 HB VAL A 15 6.188 8.130 -4.926 1.00 0.28 H new ATOM 0 HG11 VAL A 15 7.682 7.594 -2.992 1.00 0.40 H new ATOM 0 HG12 VAL A 15 6.016 7.035 -2.712 1.00 0.40 H new ATOM 0 HG13 VAL A 15 7.280 5.871 -3.176 1.00 0.40 H new ATOM 0 HG21 VAL A 15 8.635 7.653 -5.225 1.00 0.32 H new ATOM 0 HG22 VAL A 15 8.252 5.934 -5.481 1.00 0.32 H new ATOM 0 HG23 VAL A 15 7.691 7.154 -6.649 1.00 0.32 H new ATOM 264 N VAL A 16 3.396 7.127 -4.452 1.00 0.36 N ATOM 265 CA VAL A 16 2.171 7.134 -3.660 1.00 0.43 C ATOM 266 C VAL A 16 1.350 5.872 -3.945 1.00 0.49 C ATOM 267 O VAL A 16 0.915 5.209 -3.007 1.00 0.51 O ATOM 268 CB VAL A 16 1.379 8.440 -3.861 1.00 0.48 C ATOM 269 CG1 VAL A 16 -0.022 8.357 -3.238 1.00 0.59 C ATOM 270 CG2 VAL A 16 2.121 9.614 -3.207 1.00 0.49 C ATOM 0 H VAL A 16 3.516 7.944 -5.051 1.00 0.36 H new ATOM 0 HA VAL A 16 2.430 7.110 -2.601 1.00 0.43 H new ATOM 0 HB VAL A 16 1.284 8.593 -4.936 1.00 0.48 H new ATOM 0 HG11 VAL A 16 -0.549 9.297 -3.401 1.00 0.59 H new ATOM 0 HG12 VAL A 16 -0.579 7.544 -3.703 1.00 0.59 H new ATOM 0 HG13 VAL A 16 0.066 8.171 -2.168 1.00 0.59 H new ATOM 0 HG21 VAL A 16 1.552 10.532 -3.355 1.00 0.49 H new ATOM 0 HG22 VAL A 16 2.232 9.425 -2.139 1.00 0.49 H new ATOM 0 HG23 VAL A 16 3.106 9.720 -3.661 1.00 0.49 H new ATOM 280 N VAL A 17 1.159 5.502 -5.215 1.00 0.52 N ATOM 281 CA VAL A 17 0.468 4.276 -5.569 1.00 0.58 C ATOM 282 C VAL A 17 1.122 3.071 -4.874 1.00 0.54 C ATOM 283 O VAL A 17 0.439 2.282 -4.225 1.00 0.57 O ATOM 284 CB VAL A 17 0.390 4.128 -7.098 1.00 0.62 C ATOM 285 CG1 VAL A 17 -0.198 2.771 -7.487 1.00 0.75 C ATOM 286 CG2 VAL A 17 -0.494 5.224 -7.711 1.00 0.66 C ATOM 0 H VAL A 17 1.480 6.046 -6.016 1.00 0.52 H new ATOM 0 HA VAL A 17 -0.560 4.319 -5.209 1.00 0.58 H new ATOM 0 HB VAL A 17 1.408 4.215 -7.479 1.00 0.62 H new ATOM 0 HG11 VAL A 17 -0.242 2.692 -8.573 1.00 0.75 H new ATOM 0 HG12 VAL A 17 0.432 1.974 -7.090 1.00 0.75 H new ATOM 0 HG13 VAL A 17 -1.203 2.678 -7.075 1.00 0.75 H new ATOM 0 HG21 VAL A 17 -0.533 5.097 -8.793 1.00 0.66 H new ATOM 0 HG22 VAL A 17 -1.501 5.151 -7.301 1.00 0.66 H new ATOM 0 HG23 VAL A 17 -0.076 6.203 -7.475 1.00 0.66 H new ATOM 296 N VAL A 18 2.446 2.929 -4.980 1.00 0.50 N ATOM 297 CA VAL A 18 3.178 1.860 -4.323 1.00 0.47 C ATOM 298 C VAL A 18 2.924 1.874 -2.811 1.00 0.43 C ATOM 299 O VAL A 18 2.681 0.823 -2.220 1.00 0.43 O ATOM 300 CB VAL A 18 4.674 1.920 -4.685 1.00 0.45 C ATOM 301 CG1 VAL A 18 5.501 0.929 -3.854 1.00 0.46 C ATOM 302 CG2 VAL A 18 4.876 1.579 -6.169 1.00 0.50 C ATOM 0 H VAL A 18 3.035 3.557 -5.527 1.00 0.50 H new ATOM 0 HA VAL A 18 2.809 0.902 -4.688 1.00 0.47 H new ATOM 0 HB VAL A 18 5.011 2.935 -4.473 1.00 0.45 H new ATOM 0 HG11 VAL A 18 6.550 1.002 -4.139 1.00 0.46 H new ATOM 0 HG12 VAL A 18 5.395 1.165 -2.795 1.00 0.46 H new ATOM 0 HG13 VAL A 18 5.145 -0.085 -4.037 1.00 0.46 H new ATOM 0 HG21 VAL A 18 5.938 1.625 -6.412 1.00 0.50 H new ATOM 0 HG22 VAL A 18 4.502 0.574 -6.366 1.00 0.50 H new ATOM 0 HG23 VAL A 18 4.332 2.295 -6.784 1.00 0.50 H new ATOM 312 N VAL A 19 2.955 3.050 -2.177 1.00 0.41 N ATOM 313 CA VAL A 19 2.690 3.171 -0.751 1.00 0.40 C ATOM 314 C VAL A 19 1.280 2.661 -0.465 1.00 0.41 C ATOM 315 O VAL A 19 1.093 1.848 0.435 1.00 0.38 O ATOM 316 CB VAL A 19 2.924 4.614 -0.267 1.00 0.39 C ATOM 317 CG1 VAL A 19 2.377 4.843 1.149 1.00 0.43 C ATOM 318 CG2 VAL A 19 4.427 4.925 -0.260 1.00 0.38 C ATOM 0 H VAL A 19 3.163 3.935 -2.639 1.00 0.41 H new ATOM 0 HA VAL A 19 3.389 2.555 -0.185 1.00 0.40 H new ATOM 0 HB VAL A 19 2.394 5.272 -0.956 1.00 0.39 H new ATOM 0 HG11 VAL A 19 2.564 5.874 1.449 1.00 0.43 H new ATOM 0 HG12 VAL A 19 1.304 4.651 1.160 1.00 0.43 H new ATOM 0 HG13 VAL A 19 2.874 4.167 1.845 1.00 0.43 H new ATOM 0 HG21 VAL A 19 4.585 5.947 0.083 1.00 0.38 H new ATOM 0 HG22 VAL A 19 4.938 4.234 0.410 1.00 0.38 H new ATOM 0 HG23 VAL A 19 4.826 4.815 -1.268 1.00 0.38 H new ATOM 328 N VAL A 20 0.294 3.106 -1.245 1.00 0.47 N ATOM 329 CA VAL A 20 -1.081 2.651 -1.127 1.00 0.49 C ATOM 330 C VAL A 20 -1.149 1.121 -1.209 1.00 0.48 C ATOM 331 O VAL A 20 -1.747 0.483 -0.345 1.00 0.45 O ATOM 332 CB VAL A 20 -1.987 3.369 -2.147 1.00 0.56 C ATOM 333 CG1 VAL A 20 -3.362 2.697 -2.271 1.00 0.57 C ATOM 334 CG2 VAL A 20 -2.197 4.831 -1.726 1.00 0.59 C ATOM 0 H VAL A 20 0.434 3.798 -1.981 1.00 0.47 H new ATOM 0 HA VAL A 20 -1.469 2.921 -0.145 1.00 0.49 H new ATOM 0 HB VAL A 20 -1.485 3.314 -3.113 1.00 0.56 H new ATOM 0 HG11 VAL A 20 -3.966 3.237 -3.000 1.00 0.57 H new ATOM 0 HG12 VAL A 20 -3.234 1.665 -2.598 1.00 0.57 H new ATOM 0 HG13 VAL A 20 -3.863 2.712 -1.303 1.00 0.57 H new ATOM 0 HG21 VAL A 20 -2.838 5.330 -2.452 1.00 0.59 H new ATOM 0 HG22 VAL A 20 -2.668 4.863 -0.744 1.00 0.59 H new ATOM 0 HG23 VAL A 20 -1.234 5.339 -1.683 1.00 0.59 H new ATOM 344 N VAL A 21 -0.523 0.517 -2.220 1.00 0.49 N ATOM 345 CA VAL A 21 -0.470 -0.925 -2.380 1.00 0.48 C ATOM 346 C VAL A 21 0.141 -1.588 -1.140 1.00 0.40 C ATOM 347 O VAL A 21 -0.402 -2.567 -0.631 1.00 0.36 O ATOM 348 CB VAL A 21 0.312 -1.229 -3.666 1.00 0.54 C ATOM 349 CG1 VAL A 21 0.674 -2.706 -3.773 1.00 0.54 C ATOM 350 CG2 VAL A 21 -0.512 -0.840 -4.902 1.00 0.60 C ATOM 0 H VAL A 21 -0.035 1.027 -2.956 1.00 0.49 H new ATOM 0 HA VAL A 21 -1.473 -1.342 -2.474 1.00 0.48 H new ATOM 0 HB VAL A 21 1.229 -0.642 -3.623 1.00 0.54 H new ATOM 0 HG11 VAL A 21 1.226 -2.879 -4.697 1.00 0.54 H new ATOM 0 HG12 VAL A 21 1.292 -2.992 -2.922 1.00 0.54 H new ATOM 0 HG13 VAL A 21 -0.237 -3.304 -3.777 1.00 0.54 H new ATOM 0 HG21 VAL A 21 0.058 -1.062 -5.804 1.00 0.60 H new ATOM 0 HG22 VAL A 21 -1.443 -1.407 -4.912 1.00 0.60 H new ATOM 0 HG23 VAL A 21 -0.737 0.226 -4.869 1.00 0.60 H new ATOM 360 N LEU A 22 1.262 -1.062 -0.642 1.00 0.38 N ATOM 361 CA LEU A 22 1.918 -1.565 0.550 1.00 0.33 C ATOM 362 C LEU A 22 0.950 -1.480 1.739 1.00 0.28 C ATOM 363 O LEU A 22 0.776 -2.451 2.471 1.00 0.25 O ATOM 364 CB LEU A 22 3.259 -0.814 0.702 1.00 0.35 C ATOM 365 CG LEU A 22 3.664 -0.448 2.127 1.00 0.32 C ATOM 366 CD1 LEU A 22 4.032 -1.683 2.959 1.00 0.34 C ATOM 367 CD2 LEU A 22 4.866 0.504 2.111 1.00 0.34 C ATOM 0 H LEU A 22 1.739 -0.266 -1.065 1.00 0.38 H new ATOM 0 HA LEU A 22 2.173 -2.623 0.489 1.00 0.33 H new ATOM 0 HB2 LEU A 22 4.048 -1.428 0.268 1.00 0.35 H new ATOM 0 HB3 LEU A 22 3.208 0.102 0.113 1.00 0.35 H new ATOM 0 HG LEU A 22 2.801 0.035 2.585 1.00 0.32 H new ATOM 0 HD11 LEU A 22 4.313 -1.373 3.965 1.00 0.34 H new ATOM 0 HD12 LEU A 22 3.175 -2.354 3.012 1.00 0.34 H new ATOM 0 HD13 LEU A 22 4.870 -2.200 2.491 1.00 0.34 H new ATOM 0 HD21 LEU A 22 5.144 0.757 3.134 1.00 0.34 H new ATOM 0 HD22 LEU A 22 5.707 0.019 1.616 1.00 0.34 H new ATOM 0 HD23 LEU A 22 4.602 1.414 1.572 1.00 0.34 H new ATOM 379 N VAL A 23 0.276 -0.344 1.922 1.00 0.31 N ATOM 380 CA VAL A 23 -0.674 -0.135 2.988 1.00 0.30 C ATOM 381 C VAL A 23 -1.827 -1.129 2.861 1.00 0.28 C ATOM 382 O VAL A 23 -2.261 -1.694 3.861 1.00 0.25 O ATOM 383 CB VAL A 23 -1.096 1.342 2.944 1.00 0.37 C ATOM 384 CG1 VAL A 23 -2.397 1.584 3.693 1.00 0.40 C ATOM 385 CG2 VAL A 23 0.007 2.225 3.542 1.00 0.38 C ATOM 0 H VAL A 23 0.386 0.467 1.314 1.00 0.31 H new ATOM 0 HA VAL A 23 -0.245 -0.327 3.971 1.00 0.30 H new ATOM 0 HB VAL A 23 -1.254 1.602 1.897 1.00 0.37 H new ATOM 0 HG11 VAL A 23 -2.658 2.641 3.637 1.00 0.40 H new ATOM 0 HG12 VAL A 23 -3.192 0.989 3.243 1.00 0.40 H new ATOM 0 HG13 VAL A 23 -2.275 1.296 4.737 1.00 0.40 H new ATOM 0 HG21 VAL A 23 -0.303 3.269 3.505 1.00 0.38 H new ATOM 0 HG22 VAL A 23 0.184 1.935 4.578 1.00 0.38 H new ATOM 0 HG23 VAL A 23 0.925 2.099 2.968 1.00 0.38 H new ATOM 395 N VAL A 24 -2.310 -1.391 1.647 1.00 0.30 N ATOM 396 CA VAL A 24 -3.313 -2.383 1.402 1.00 0.28 C ATOM 397 C VAL A 24 -2.791 -3.765 1.799 1.00 0.22 C ATOM 398 O VAL A 24 -3.472 -4.482 2.523 1.00 0.17 O ATOM 399 CB VAL A 24 -3.743 -2.229 -0.064 1.00 0.35 C ATOM 400 CG1 VAL A 24 -4.327 -3.513 -0.620 1.00 0.32 C ATOM 401 CG2 VAL A 24 -4.756 -1.086 -0.200 1.00 0.42 C ATOM 0 H VAL A 24 -2.000 -0.904 0.806 1.00 0.30 H new ATOM 0 HA VAL A 24 -4.205 -2.254 2.016 1.00 0.28 H new ATOM 0 HB VAL A 24 -2.851 -1.994 -0.645 1.00 0.35 H new ATOM 0 HG11 VAL A 24 -4.618 -3.360 -1.659 1.00 0.32 H new ATOM 0 HG12 VAL A 24 -3.581 -4.306 -0.565 1.00 0.32 H new ATOM 0 HG13 VAL A 24 -5.202 -3.797 -0.036 1.00 0.32 H new ATOM 0 HG21 VAL A 24 -5.054 -0.986 -1.244 1.00 0.42 H new ATOM 0 HG22 VAL A 24 -5.634 -1.303 0.409 1.00 0.42 H new ATOM 0 HG23 VAL A 24 -4.302 -0.155 0.138 1.00 0.42 H new ATOM 411 N VAL A 25 -1.580 -4.144 1.388 1.00 0.24 N ATOM 412 CA VAL A 25 -0.956 -5.372 1.836 1.00 0.21 C ATOM 413 C VAL A 25 -0.880 -5.435 3.362 1.00 0.17 C ATOM 414 O VAL A 25 -1.131 -6.487 3.945 1.00 0.17 O ATOM 415 CB VAL A 25 0.401 -5.543 1.131 1.00 0.27 C ATOM 416 CG1 VAL A 25 1.489 -6.170 2.004 1.00 0.27 C ATOM 417 CG2 VAL A 25 0.169 -6.422 -0.097 1.00 0.32 C ATOM 0 H VAL A 25 -1.012 -3.603 0.736 1.00 0.24 H new ATOM 0 HA VAL A 25 -1.571 -6.226 1.553 1.00 0.21 H new ATOM 0 HB VAL A 25 0.768 -4.549 0.875 1.00 0.27 H new ATOM 0 HG11 VAL A 25 2.412 -6.254 1.430 1.00 0.27 H new ATOM 0 HG12 VAL A 25 1.661 -5.542 2.878 1.00 0.27 H new ATOM 0 HG13 VAL A 25 1.170 -7.161 2.327 1.00 0.27 H new ATOM 0 HG21 VAL A 25 1.112 -6.566 -0.625 1.00 0.32 H new ATOM 0 HG22 VAL A 25 -0.223 -7.389 0.217 1.00 0.32 H new ATOM 0 HG23 VAL A 25 -0.548 -5.938 -0.761 1.00 0.32 H new ATOM 427 N VAL A 26 -0.558 -4.319 4.017 1.00 0.18 N ATOM 428 CA VAL A 26 -0.494 -4.268 5.469 1.00 0.20 C ATOM 429 C VAL A 26 -1.895 -4.530 6.022 1.00 0.20 C ATOM 430 O VAL A 26 -2.048 -5.342 6.929 1.00 0.24 O ATOM 431 CB VAL A 26 0.123 -2.944 5.945 1.00 0.24 C ATOM 432 CG1 VAL A 26 -0.281 -2.557 7.374 1.00 0.30 C ATOM 433 CG2 VAL A 26 1.650 -3.001 5.826 1.00 0.26 C ATOM 0 H VAL A 26 -0.337 -3.436 3.557 1.00 0.18 H new ATOM 0 HA VAL A 26 0.167 -5.043 5.856 1.00 0.20 H new ATOM 0 HB VAL A 26 -0.275 -2.167 5.292 1.00 0.24 H new ATOM 0 HG11 VAL A 26 0.192 -1.612 7.642 1.00 0.30 H new ATOM 0 HG12 VAL A 26 -1.364 -2.450 7.429 1.00 0.30 H new ATOM 0 HG13 VAL A 26 0.042 -3.334 8.067 1.00 0.30 H new ATOM 0 HG21 VAL A 26 2.077 -2.057 6.166 1.00 0.26 H new ATOM 0 HG22 VAL A 26 2.033 -3.815 6.441 1.00 0.26 H new ATOM 0 HG23 VAL A 26 1.928 -3.171 4.786 1.00 0.26 H new ATOM 443 N ILE A 27 -2.920 -3.880 5.464 1.00 0.21 N ATOM 444 CA ILE A 27 -4.296 -4.065 5.880 1.00 0.24 C ATOM 445 C ILE A 27 -4.677 -5.538 5.696 1.00 0.22 C ATOM 446 O ILE A 27 -5.313 -6.133 6.561 1.00 0.25 O ATOM 447 CB ILE A 27 -5.200 -3.095 5.099 1.00 0.27 C ATOM 448 CG1 ILE A 27 -5.176 -1.726 5.801 1.00 0.36 C ATOM 449 CG2 ILE A 27 -6.652 -3.591 5.003 1.00 0.29 C ATOM 450 CD1 ILE A 27 -5.598 -0.585 4.871 1.00 0.40 C ATOM 0 H ILE A 27 -2.808 -3.207 4.706 1.00 0.21 H new ATOM 0 HA ILE A 27 -4.427 -3.830 6.936 1.00 0.24 H new ATOM 0 HB ILE A 27 -4.815 -3.024 4.082 1.00 0.27 H new ATOM 0 HG12 ILE A 27 -5.841 -1.752 6.664 1.00 0.36 H new ATOM 0 HG13 ILE A 27 -4.172 -1.531 6.178 1.00 0.36 H new ATOM 0 HG21 ILE A 27 -7.247 -2.870 4.442 1.00 0.29 H new ATOM 0 HG22 ILE A 27 -6.675 -4.554 4.493 1.00 0.29 H new ATOM 0 HG23 ILE A 27 -7.066 -3.701 6.005 1.00 0.29 H new ATOM 0 HD11 ILE A 27 -5.564 0.359 5.415 1.00 0.40 H new ATOM 0 HD12 ILE A 27 -4.918 -0.538 4.020 1.00 0.40 H new ATOM 0 HD13 ILE A 27 -6.613 -0.762 4.515 1.00 0.40 H new ATOM 462 N VAL A 28 -4.276 -6.143 4.574 1.00 0.20 N ATOM 463 CA VAL A 28 -4.585 -7.533 4.290 1.00 0.24 C ATOM 464 C VAL A 28 -3.920 -8.425 5.336 1.00 0.26 C ATOM 465 O VAL A 28 -4.591 -9.236 5.968 1.00 0.32 O ATOM 466 CB VAL A 28 -4.191 -7.876 2.843 1.00 0.27 C ATOM 467 CG1 VAL A 28 -4.180 -9.387 2.599 1.00 0.33 C ATOM 468 CG2 VAL A 28 -5.181 -7.235 1.860 1.00 0.29 C ATOM 0 H VAL A 28 -3.732 -5.680 3.846 1.00 0.20 H new ATOM 0 HA VAL A 28 -5.658 -7.711 4.361 1.00 0.24 H new ATOM 0 HB VAL A 28 -3.186 -7.486 2.684 1.00 0.27 H new ATOM 0 HG11 VAL A 28 -3.897 -9.587 1.566 1.00 0.33 H new ATOM 0 HG12 VAL A 28 -3.462 -9.859 3.270 1.00 0.33 H new ATOM 0 HG13 VAL A 28 -5.174 -9.793 2.788 1.00 0.33 H new ATOM 0 HG21 VAL A 28 -4.893 -7.484 0.839 1.00 0.29 H new ATOM 0 HG22 VAL A 28 -6.185 -7.613 2.056 1.00 0.29 H new ATOM 0 HG23 VAL A 28 -5.170 -6.152 1.986 1.00 0.29 H new ATOM 478 N GLY A 29 -2.610 -8.271 5.543 1.00 0.24 N ATOM 479 CA GLY A 29 -1.899 -9.000 6.585 1.00 0.27 C ATOM 480 C GLY A 29 -2.580 -8.841 7.946 1.00 0.29 C ATOM 481 O GLY A 29 -2.808 -9.824 8.650 1.00 0.37 O ATOM 0 H GLY A 29 -2.021 -7.643 4.997 1.00 0.24 H new ATOM 0 HA2 GLY A 29 -1.851 -10.057 6.323 1.00 0.27 H new ATOM 0 HA3 GLY A 29 -0.872 -8.640 6.647 1.00 0.27 H new ATOM 485 N ALA A 30 -2.925 -7.604 8.305 1.00 0.26 N ATOM 486 CA ALA A 30 -3.613 -7.292 9.550 1.00 0.33 C ATOM 487 C ALA A 30 -4.926 -8.073 9.646 1.00 0.43 C ATOM 488 O ALA A 30 -5.154 -8.784 10.620 1.00 0.67 O ATOM 489 CB ALA A 30 -3.825 -5.780 9.667 1.00 0.36 C ATOM 0 H ALA A 30 -2.731 -6.784 7.730 1.00 0.26 H new ATOM 0 HA ALA A 30 -2.996 -7.602 10.393 1.00 0.33 H new ATOM 0 HB1 ALA A 30 -4.340 -5.556 10.601 1.00 0.36 H new ATOM 0 HB2 ALA A 30 -2.859 -5.275 9.655 1.00 0.36 H new ATOM 0 HB3 ALA A 30 -4.427 -5.431 8.828 1.00 0.36 H new ATOM 495 N LEU A 31 -5.755 -8.034 8.600 1.00 0.35 N ATOM 496 CA LEU A 31 -7.005 -8.747 8.542 1.00 0.43 C ATOM 497 C LEU A 31 -6.743 -10.253 8.696 1.00 0.49 C ATOM 498 O LEU A 31 -7.437 -10.926 9.453 1.00 0.67 O ATOM 499 CB LEU A 31 -7.691 -8.301 7.241 1.00 0.38 C ATOM 500 CG LEU A 31 -8.726 -9.291 6.738 1.00 0.47 C ATOM 501 CD1 LEU A 31 -9.917 -9.443 7.692 1.00 0.59 C ATOM 502 CD2 LEU A 31 -9.220 -8.889 5.345 1.00 0.47 C ATOM 0 H LEU A 31 -5.559 -7.491 7.759 1.00 0.35 H new ATOM 0 HA LEU A 31 -7.690 -8.521 9.359 1.00 0.43 H new ATOM 0 HB2 LEU A 31 -8.171 -7.336 7.404 1.00 0.38 H new ATOM 0 HB3 LEU A 31 -6.934 -8.155 6.471 1.00 0.38 H new ATOM 0 HG LEU A 31 -8.230 -10.260 6.686 1.00 0.47 H new ATOM 0 HD11 LEU A 31 -10.624 -10.163 7.280 1.00 0.59 H new ATOM 0 HD12 LEU A 31 -9.564 -9.795 8.661 1.00 0.59 H new ATOM 0 HD13 LEU A 31 -10.411 -8.479 7.814 1.00 0.59 H new ATOM 0 HD21 LEU A 31 -9.961 -9.610 5.000 1.00 0.47 H new ATOM 0 HD22 LEU A 31 -9.671 -7.898 5.391 1.00 0.47 H new ATOM 0 HD23 LEU A 31 -8.379 -8.873 4.651 1.00 0.47 H new ATOM 514 N LEU A 32 -5.735 -10.797 8.005 1.00 0.44 N ATOM 515 CA LEU A 32 -5.396 -12.210 8.130 1.00 0.55 C ATOM 516 C LEU A 32 -4.988 -12.558 9.566 1.00 0.50 C ATOM 517 O LEU A 32 -5.360 -13.619 10.064 1.00 0.59 O ATOM 518 CB LEU A 32 -4.305 -12.600 7.122 1.00 0.70 C ATOM 519 CG LEU A 32 -4.783 -12.561 5.659 1.00 0.92 C ATOM 520 CD1 LEU A 32 -3.569 -12.673 4.729 1.00 1.68 C ATOM 521 CD2 LEU A 32 -5.760 -13.699 5.340 1.00 1.47 C ATOM 0 H LEU A 32 -5.144 -10.278 7.356 1.00 0.44 H new ATOM 0 HA LEU A 32 -6.286 -12.794 7.897 1.00 0.55 H new ATOM 0 HB2 LEU A 32 -3.456 -11.926 7.237 1.00 0.70 H new ATOM 0 HB3 LEU A 32 -3.949 -13.604 7.354 1.00 0.70 H new ATOM 0 HG LEU A 32 -5.306 -11.617 5.507 1.00 0.92 H new ATOM 0 HD11 LEU A 32 -3.902 -12.646 3.691 1.00 1.68 H new ATOM 0 HD12 LEU A 32 -2.891 -11.840 4.914 1.00 1.68 H new ATOM 0 HD13 LEU A 32 -3.050 -13.613 4.919 1.00 1.68 H new ATOM 0 HD21 LEU A 32 -6.070 -13.631 4.297 1.00 1.47 H new ATOM 0 HD22 LEU A 32 -5.270 -14.658 5.511 1.00 1.47 H new ATOM 0 HD23 LEU A 32 -6.635 -13.619 5.985 1.00 1.47 H new ATOM 533 N MET A 33 -4.234 -11.682 10.237 1.00 0.39 N ATOM 534 CA MET A 33 -3.906 -11.860 11.647 1.00 0.41 C ATOM 535 C MET A 33 -5.180 -11.810 12.502 1.00 0.51 C ATOM 536 O MET A 33 -5.354 -12.623 13.408 1.00 0.79 O ATOM 537 CB MET A 33 -2.870 -10.808 12.076 1.00 0.50 C ATOM 538 CG MET A 33 -2.402 -10.989 13.525 1.00 1.83 C ATOM 539 SD MET A 33 -1.533 -12.539 13.880 1.00 3.49 S ATOM 540 CE MET A 33 -1.242 -12.345 15.651 1.00 4.85 C ATOM 0 H MET A 33 -3.839 -10.839 9.820 1.00 0.39 H new ATOM 0 HA MET A 33 -3.460 -12.843 11.800 1.00 0.41 H new ATOM 0 HB2 MET A 33 -2.008 -10.862 11.411 1.00 0.50 H new ATOM 0 HB3 MET A 33 -3.300 -9.813 11.960 1.00 0.50 H new ATOM 0 HG2 MET A 33 -1.745 -10.158 13.782 1.00 1.83 H new ATOM 0 HG3 MET A 33 -3.271 -10.923 14.180 1.00 1.83 H new ATOM 0 HE1 MET A 33 -0.713 -13.219 16.031 1.00 4.85 H new ATOM 0 HE2 MET A 33 -0.641 -11.453 15.825 1.00 4.85 H new ATOM 0 HE3 MET A 33 -2.197 -12.246 16.168 1.00 4.85 H new ATOM 550 N GLY A 34 -6.064 -10.849 12.227 1.00 0.48 N ATOM 551 CA GLY A 34 -7.349 -10.718 12.892 1.00 0.78 C ATOM 552 C GLY A 34 -8.127 -9.520 12.350 1.00 1.94 C ATOM 553 O GLY A 34 -9.178 -9.690 11.736 1.00 3.52 O ATOM 0 H GLY A 34 -5.898 -10.130 11.522 1.00 0.48 H new ATOM 0 HA2 GLY A 34 -7.931 -11.629 12.749 1.00 0.78 H new ATOM 0 HA3 GLY A 34 -7.197 -10.602 13.965 1.00 0.78 H new ATOM 557 N LEU A 35 -7.631 -8.310 12.616 1.00 2.57 N ATOM 558 CA LEU A 35 -8.145 -7.049 12.126 1.00 4.16 C ATOM 559 C LEU A 35 -6.899 -6.279 11.703 1.00 5.36 C ATOM 560 O LEU A 35 -5.898 -6.410 12.409 1.00 6.02 O ATOM 561 CB LEU A 35 -8.837 -6.264 13.252 1.00 5.04 C ATOM 562 CG LEU A 35 -10.268 -6.666 13.656 1.00 5.54 C ATOM 563 CD1 LEU A 35 -11.204 -6.824 12.453 1.00 6.27 C ATOM 564 CD2 LEU A 35 -10.321 -7.904 14.559 1.00 5.76 C ATOM 565 OXT LEU A 35 -6.916 -5.660 10.643 1.00 6.29 O ATOM 0 H LEU A 35 -6.814 -8.187 13.214 1.00 2.57 H new ATOM 0 HA LEU A 35 -8.872 -7.194 11.327 1.00 4.16 H new ATOM 0 HB2 LEU A 35 -8.209 -6.336 14.140 1.00 5.04 H new ATOM 0 HB3 LEU A 35 -8.858 -5.214 12.960 1.00 5.04 H new ATOM 0 HG LEU A 35 -10.634 -5.827 14.248 1.00 5.54 H new ATOM 0 HD11 LEU A 35 -12.198 -7.108 12.800 1.00 6.27 H new ATOM 0 HD12 LEU A 35 -11.264 -5.879 11.913 1.00 6.27 H new ATOM 0 HD13 LEU A 35 -10.817 -7.597 11.790 1.00 6.27 H new ATOM 0 HD21 LEU A 35 -11.358 -8.131 14.805 1.00 5.76 H new ATOM 0 HD22 LEU A 35 -9.877 -8.753 14.039 1.00 5.76 H new ATOM 0 HD23 LEU A 35 -9.765 -7.710 15.476 1.00 5.76 H new TER 577 LEU A 35