USER MOD reduce.3.24.130724 H: found=0, std=0, add=318, rem=0, adj=2 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 CYS SG : rot 180:sc= 0 USER MOD Single : A 6 CYS SG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0.223 X(o=0.22,f=-0.013) 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 18.644 9.592 -26.616 1.00 18.22 N ATOM 2 CA LEU A 1 18.283 9.891 -25.218 1.00 17.11 C ATOM 3 C LEU A 1 17.929 11.377 -25.133 1.00 15.93 C ATOM 4 O LEU A 1 18.770 12.202 -25.492 1.00 16.32 O ATOM 5 CB LEU A 1 19.459 9.524 -24.291 1.00 17.74 C ATOM 6 CG LEU A 1 19.177 9.449 -22.779 1.00 17.72 C ATOM 7 CD1 LEU A 1 18.730 10.779 -22.163 1.00 17.30 C ATOM 8 CD2 LEU A 1 18.187 8.332 -22.430 1.00 17.69 C ATOM 0 H1 LEU A 1 18.890 8.585 -26.703 1.00 18.22 H new ATOM 0 H2 LEU A 1 17.837 9.806 -27.236 1.00 18.22 H new ATOM 0 H3 LEU A 1 19.460 10.173 -26.896 1.00 18.22 H new ATOM 0 HA LEU A 1 17.423 9.304 -24.895 1.00 17.11 H new ATOM 0 HB2 LEU A 1 19.848 8.557 -24.609 1.00 17.74 H new ATOM 0 HB3 LEU A 1 20.252 10.254 -24.449 1.00 17.74 H new ATOM 0 HG LEU A 1 20.140 9.209 -22.329 1.00 17.72 H new ATOM 0 HD11 LEU A 1 18.551 10.644 -21.096 1.00 17.30 H new ATOM 0 HD12 LEU A 1 19.509 11.527 -22.308 1.00 17.30 H new ATOM 0 HD13 LEU A 1 17.811 11.113 -22.646 1.00 17.30 H new ATOM 0 HD21 LEU A 1 18.019 8.318 -21.353 1.00 17.69 H new ATOM 0 HD22 LEU A 1 17.242 8.511 -22.942 1.00 17.69 H new ATOM 0 HD23 LEU A 1 18.595 7.372 -22.746 1.00 17.69 H new ATOM 22 N ARG A 2 16.697 11.717 -24.734 1.00 14.76 N ATOM 23 CA ARG A 2 16.214 13.089 -24.595 1.00 13.80 C ATOM 24 C ARG A 2 15.119 13.115 -23.523 1.00 12.17 C ATOM 25 O ARG A 2 13.950 13.328 -23.826 1.00 11.61 O ATOM 26 CB ARG A 2 15.711 13.614 -25.957 1.00 14.56 C ATOM 27 CG ARG A 2 15.258 15.091 -25.973 1.00 14.48 C ATOM 28 CD ARG A 2 16.317 16.128 -26.390 1.00 15.23 C ATOM 29 NE ARG A 2 17.385 16.303 -25.388 1.00 15.40 N ATOM 30 CZ ARG A 2 18.515 15.581 -25.313 1.00 16.47 C ATOM 31 NH1 ARG A 2 18.805 14.702 -26.273 1.00 17.52 N ATOM 32 NH2 ARG A 2 19.326 15.704 -24.257 1.00 16.74 N ATOM 0 H ARG A 2 15.991 11.022 -24.493 1.00 14.76 H new ATOM 0 HA ARG A 2 17.021 13.751 -24.279 1.00 13.80 H new ATOM 0 HB2 ARG A 2 16.506 13.488 -26.692 1.00 14.56 H new ATOM 0 HB3 ARG A 2 14.876 12.992 -26.281 1.00 14.56 H new ATOM 0 HG2 ARG A 2 14.408 15.180 -26.649 1.00 14.48 H new ATOM 0 HG3 ARG A 2 14.901 15.350 -24.976 1.00 14.48 H new ATOM 0 HD2 ARG A 2 16.762 15.822 -27.337 1.00 15.23 H new ATOM 0 HD3 ARG A 2 15.829 17.087 -26.562 1.00 15.23 H new ATOM 0 HE ARG A 2 17.254 17.036 -24.691 1.00 15.40 H new ATOM 0 HH11 ARG A 2 18.169 14.580 -27.061 1.00 17.52 H new ATOM 0 HH12 ARG A 2 19.662 14.152 -26.219 1.00 17.52 H new ATOM 0 HH21 ARG A 2 19.088 16.349 -23.503 1.00 16.74 H new ATOM 0 HH22 ARG A 2 20.183 15.153 -24.205 1.00 16.74 H new ATOM 46 N ILE A 3 15.504 12.888 -22.265 1.00 11.63 N ATOM 47 CA ILE A 3 14.628 13.044 -21.110 1.00 10.23 C ATOM 48 C ILE A 3 15.055 14.351 -20.432 1.00 9.27 C ATOM 49 O ILE A 3 16.117 14.372 -19.815 1.00 9.79 O ATOM 50 CB ILE A 3 14.757 11.823 -20.168 1.00 10.87 C ATOM 51 CG1 ILE A 3 13.969 10.596 -20.669 1.00 11.93 C ATOM 52 CG2 ILE A 3 14.224 12.141 -18.760 1.00 10.44 C ATOM 53 CD1 ILE A 3 14.413 10.056 -22.030 1.00 12.88 C ATOM 0 H ILE A 3 16.447 12.586 -22.021 1.00 11.63 H new ATOM 0 HA ILE A 3 13.576 13.091 -21.393 1.00 10.23 H new ATOM 0 HB ILE A 3 15.823 11.597 -20.147 1.00 10.87 H new ATOM 0 HG12 ILE A 3 14.059 9.799 -19.931 1.00 11.93 H new ATOM 0 HG13 ILE A 3 12.913 10.859 -20.726 1.00 11.93 H new ATOM 0 HG21 ILE A 3 14.330 11.262 -18.124 1.00 10.44 H new ATOM 0 HG22 ILE A 3 14.792 12.968 -18.334 1.00 10.44 H new ATOM 0 HG23 ILE A 3 13.172 12.419 -18.823 1.00 10.44 H new ATOM 0 HD11 ILE A 3 13.801 9.194 -22.297 1.00 12.88 H new ATOM 0 HD12 ILE A 3 14.295 10.833 -22.786 1.00 12.88 H new ATOM 0 HD13 ILE A 3 15.459 9.756 -21.978 1.00 12.88 H new ATOM 65 N PRO A 4 14.289 15.450 -20.556 1.00 8.47 N ATOM 66 CA PRO A 4 14.598 16.683 -19.852 1.00 8.16 C ATOM 67 C PRO A 4 14.157 16.568 -18.392 1.00 7.18 C ATOM 68 O PRO A 4 14.941 16.797 -17.476 1.00 7.88 O ATOM 69 CB PRO A 4 13.849 17.784 -20.609 1.00 8.46 C ATOM 70 CG PRO A 4 12.668 17.067 -21.269 1.00 8.33 C ATOM 71 CD PRO A 4 13.150 15.624 -21.447 1.00 8.62 C ATOM 0 HA PRO A 4 15.665 16.904 -19.826 1.00 8.16 H new ATOM 0 HB2 PRO A 4 13.509 18.568 -19.933 1.00 8.46 H new ATOM 0 HB3 PRO A 4 14.489 18.260 -21.352 1.00 8.46 H new ATOM 0 HG2 PRO A 4 11.776 17.114 -20.645 1.00 8.33 H new ATOM 0 HG3 PRO A 4 12.412 17.521 -22.226 1.00 8.33 H new ATOM 0 HD2 PRO A 4 12.356 14.918 -21.203 1.00 8.62 H new ATOM 0 HD3 PRO A 4 13.436 15.436 -22.482 1.00 8.62 H new ATOM 79 N CYS A 5 12.885 16.221 -18.188 1.00 6.08 N ATOM 80 CA CYS A 5 12.230 16.215 -16.883 1.00 5.53 C ATOM 81 C CYS A 5 11.024 15.271 -16.875 1.00 4.44 C ATOM 82 O CYS A 5 10.125 15.416 -16.054 1.00 4.47 O ATOM 83 CB CYS A 5 11.802 17.644 -16.519 1.00 6.35 C ATOM 84 SG CYS A 5 10.490 18.197 -17.641 1.00 6.89 S ATOM 0 H CYS A 5 12.268 15.929 -18.946 1.00 6.08 H new ATOM 0 HA CYS A 5 12.937 15.851 -16.137 1.00 5.53 H new ATOM 0 HB2 CYS A 5 11.449 17.676 -15.488 1.00 6.35 H new ATOM 0 HB3 CYS A 5 12.657 18.317 -16.584 1.00 6.35 H new ATOM 0 HG CYS A 5 10.131 19.406 -17.326 1.00 6.89 H new ATOM 90 N CYS A 6 11.011 14.274 -17.768 1.00 4.39 N ATOM 91 CA CYS A 6 9.861 13.393 -17.971 1.00 4.43 C ATOM 92 C CYS A 6 9.358 12.719 -16.681 1.00 3.60 C ATOM 93 O CYS A 6 8.161 12.821 -16.398 1.00 3.54 O ATOM 94 CB CYS A 6 10.151 12.378 -19.082 1.00 6.06 C ATOM 95 SG CYS A 6 8.800 11.178 -19.155 1.00 7.28 S ATOM 0 H CYS A 6 11.804 14.057 -18.372 1.00 4.39 H new ATOM 0 HA CYS A 6 9.034 14.027 -18.291 1.00 4.43 H new ATOM 0 HB2 CYS A 6 10.253 12.888 -20.040 1.00 6.06 H new ATOM 0 HB3 CYS A 6 11.096 11.869 -18.889 1.00 6.06 H new ATOM 0 HG CYS A 6 9.037 10.314 -20.097 1.00 7.28 H new ATOM 101 N PRO A 7 10.203 12.052 -15.871 1.00 3.29 N ATOM 102 CA PRO A 7 9.766 11.470 -14.608 1.00 2.82 C ATOM 103 C PRO A 7 9.495 12.576 -13.577 1.00 2.17 C ATOM 104 O PRO A 7 10.290 12.798 -12.660 1.00 2.28 O ATOM 105 CB PRO A 7 10.890 10.516 -14.191 1.00 3.42 C ATOM 106 CG PRO A 7 12.132 11.170 -14.791 1.00 3.77 C ATOM 107 CD PRO A 7 11.607 11.739 -16.108 1.00 3.84 C ATOM 0 HA PRO A 7 8.826 10.925 -14.692 1.00 2.82 H new ATOM 0 HB2 PRO A 7 10.964 10.428 -13.107 1.00 3.42 H new ATOM 0 HB3 PRO A 7 10.733 9.511 -14.583 1.00 3.42 H new ATOM 0 HG2 PRO A 7 12.532 11.950 -14.143 1.00 3.77 H new ATOM 0 HG3 PRO A 7 12.932 10.448 -14.952 1.00 3.77 H new ATOM 0 HD2 PRO A 7 12.163 12.630 -16.399 1.00 3.84 H new ATOM 0 HD3 PRO A 7 11.716 11.017 -16.917 1.00 3.84 H new ATOM 115 N VAL A 8 8.360 13.264 -13.731 1.00 2.31 N ATOM 116 CA VAL A 8 7.945 14.400 -12.919 1.00 2.11 C ATOM 117 C VAL A 8 7.020 13.926 -11.793 1.00 1.61 C ATOM 118 O VAL A 8 7.311 12.923 -11.135 1.00 2.40 O ATOM 119 CB VAL A 8 7.389 15.503 -13.853 1.00 3.27 C ATOM 120 CG1 VAL A 8 6.069 15.177 -14.573 1.00 4.97 C ATOM 121 CG2 VAL A 8 7.390 16.911 -13.235 1.00 3.46 C ATOM 0 H VAL A 8 7.681 13.031 -14.456 1.00 2.31 H new ATOM 0 HA VAL A 8 8.780 14.864 -12.394 1.00 2.11 H new ATOM 0 HB VAL A 8 8.130 15.516 -14.652 1.00 3.27 H new ATOM 0 HG11 VAL A 8 5.777 16.021 -15.198 1.00 4.97 H new ATOM 0 HG12 VAL A 8 6.203 14.293 -15.197 1.00 4.97 H new ATOM 0 HG13 VAL A 8 5.290 14.985 -13.835 1.00 4.97 H new ATOM 0 HG21 VAL A 8 6.986 17.624 -13.953 1.00 3.46 H new ATOM 0 HG22 VAL A 8 6.775 16.914 -12.335 1.00 3.46 H new ATOM 0 HG23 VAL A 8 8.410 17.195 -12.978 1.00 3.46 H new ATOM 131 N ASN A 9 5.916 14.629 -11.548 1.00 1.57 N ATOM 132 CA ASN A 9 4.944 14.300 -10.510 1.00 1.08 C ATOM 133 C ASN A 9 4.462 12.858 -10.661 1.00 0.83 C ATOM 134 O ASN A 9 4.219 12.188 -9.662 1.00 0.91 O ATOM 135 CB ASN A 9 3.760 15.276 -10.560 1.00 1.17 C ATOM 136 CG ASN A 9 2.966 15.354 -9.251 1.00 2.21 C ATOM 137 OD1 ASN A 9 2.609 16.444 -8.822 1.00 2.97 O ATOM 138 ND2 ASN A 9 2.677 14.238 -8.585 1.00 3.75 N ATOM 0 H ASN A 9 5.667 15.463 -12.079 1.00 1.57 H new ATOM 0 HA ASN A 9 5.429 14.395 -9.539 1.00 1.08 H new ATOM 0 HB2 ASN A 9 4.131 16.270 -10.809 1.00 1.17 H new ATOM 0 HB3 ASN A 9 3.088 14.976 -11.364 1.00 1.17 H new ATOM 0 HD21 ASN A 9 2.154 14.287 -7.710 1.00 3.75 H new ATOM 0 HD22 ASN A 9 2.978 13.334 -8.949 1.00 3.75 H new ATOM 145 N LEU A 10 4.351 12.370 -11.899 1.00 0.90 N ATOM 146 CA LEU A 10 3.951 11.005 -12.203 1.00 0.87 C ATOM 147 C LEU A 10 4.856 10.021 -11.464 1.00 0.74 C ATOM 148 O LEU A 10 4.397 9.010 -10.935 1.00 0.69 O ATOM 149 CB LEU A 10 3.998 10.816 -13.726 1.00 1.19 C ATOM 150 CG LEU A 10 3.538 9.423 -14.190 1.00 2.53 C ATOM 151 CD1 LEU A 10 2.855 9.548 -15.556 1.00 3.07 C ATOM 152 CD2 LEU A 10 4.716 8.447 -14.332 1.00 4.04 C ATOM 0 H LEU A 10 4.542 12.929 -12.731 1.00 0.90 H new ATOM 0 HA LEU A 10 2.933 10.811 -11.864 1.00 0.87 H new ATOM 0 HB2 LEU A 10 3.370 11.572 -14.197 1.00 1.19 H new ATOM 0 HB3 LEU A 10 5.017 10.987 -14.073 1.00 1.19 H new ATOM 0 HG LEU A 10 2.853 9.035 -13.436 1.00 2.53 H new ATOM 0 HD11 LEU A 10 2.527 8.564 -15.890 1.00 3.07 H new ATOM 0 HD12 LEU A 10 1.992 10.209 -15.472 1.00 3.07 H new ATOM 0 HD13 LEU A 10 3.559 9.960 -16.279 1.00 3.07 H new ATOM 0 HD21 LEU A 10 4.346 7.476 -14.661 1.00 4.04 H new ATOM 0 HD22 LEU A 10 5.423 8.834 -15.066 1.00 4.04 H new ATOM 0 HD23 LEU A 10 5.216 8.337 -13.370 1.00 4.04 H new ATOM 164 N LYS A 11 6.152 10.330 -11.390 1.00 0.74 N ATOM 165 CA LYS A 11 7.089 9.464 -10.699 1.00 0.69 C ATOM 166 C LYS A 11 6.733 9.394 -9.209 1.00 0.49 C ATOM 167 O LYS A 11 6.755 8.317 -8.613 1.00 0.50 O ATOM 168 CB LYS A 11 8.531 9.932 -10.952 1.00 0.89 C ATOM 169 CG LYS A 11 9.593 8.951 -10.424 1.00 1.55 C ATOM 170 CD LYS A 11 9.570 7.604 -11.169 1.00 3.23 C ATOM 171 CE LYS A 11 10.757 6.697 -10.804 1.00 3.62 C ATOM 172 NZ LYS A 11 10.678 6.180 -9.420 1.00 4.06 N ATOM 0 H LYS A 11 6.567 11.167 -11.798 1.00 0.74 H new ATOM 0 HA LYS A 11 7.018 8.450 -11.091 1.00 0.69 H new ATOM 0 HB2 LYS A 11 8.677 10.072 -12.023 1.00 0.89 H new ATOM 0 HB3 LYS A 11 8.678 10.904 -10.480 1.00 0.89 H new ATOM 0 HG2 LYS A 11 10.581 9.401 -10.523 1.00 1.55 H new ATOM 0 HG3 LYS A 11 9.427 8.778 -9.361 1.00 1.55 H new ATOM 0 HD2 LYS A 11 8.639 7.085 -10.941 1.00 3.23 H new ATOM 0 HD3 LYS A 11 9.577 7.789 -12.243 1.00 3.23 H new ATOM 0 HE2 LYS A 11 10.795 5.858 -11.499 1.00 3.62 H new ATOM 0 HE3 LYS A 11 11.686 7.254 -10.927 1.00 3.62 H new ATOM 0 HZ1 LYS A 11 11.502 5.575 -9.228 1.00 4.06 H new ATOM 0 HZ2 LYS A 11 10.670 6.977 -8.752 1.00 4.06 H new ATOM 0 HZ3 LYS A 11 9.807 5.624 -9.306 1.00 4.06 H new ATOM 186 N ARG A 12 6.399 10.538 -8.602 1.00 0.46 N ATOM 187 CA ARG A 12 6.068 10.587 -7.189 1.00 0.43 C ATOM 188 C ARG A 12 4.679 9.989 -6.959 1.00 0.31 C ATOM 189 O ARG A 12 4.421 9.383 -5.924 1.00 0.40 O ATOM 190 CB ARG A 12 6.130 12.031 -6.655 1.00 0.66 C ATOM 191 CG ARG A 12 7.540 12.645 -6.571 1.00 2.30 C ATOM 192 CD ARG A 12 8.169 12.869 -7.951 1.00 4.15 C ATOM 193 NE ARG A 12 9.412 13.656 -7.903 1.00 5.85 N ATOM 194 CZ ARG A 12 10.198 13.832 -8.979 1.00 7.89 C ATOM 195 NH1 ARG A 12 9.779 13.382 -10.164 1.00 8.64 N ATOM 196 NH2 ARG A 12 11.384 14.439 -8.870 1.00 9.54 N ATOM 0 H ARG A 12 6.353 11.440 -9.076 1.00 0.46 H new ATOM 0 HA ARG A 12 6.804 9.998 -6.642 1.00 0.43 H new ATOM 0 HB2 ARG A 12 5.514 12.663 -7.295 1.00 0.66 H new ATOM 0 HB3 ARG A 12 5.683 12.052 -5.661 1.00 0.66 H new ATOM 0 HG2 ARG A 12 7.487 13.596 -6.041 1.00 2.30 H new ATOM 0 HG3 ARG A 12 8.183 11.989 -5.985 1.00 2.30 H new ATOM 0 HD2 ARG A 12 8.377 11.902 -8.409 1.00 4.15 H new ATOM 0 HD3 ARG A 12 7.449 13.378 -8.592 1.00 4.15 H new ATOM 0 HE ARG A 12 9.687 14.084 -7.019 1.00 5.85 H new ATOM 0 HH11 ARG A 12 8.876 12.914 -10.242 1.00 8.64 H new ATOM 0 HH12 ARG A 12 10.362 13.506 -10.992 1.00 8.64 H new ATOM 0 HH21 ARG A 12 11.703 14.776 -7.962 1.00 9.54 H new ATOM 0 HH22 ARG A 12 11.970 14.566 -9.695 1.00 9.54 H new ATOM 210 N LEU A 13 3.824 10.050 -7.977 1.00 0.23 N ATOM 211 CA LEU A 13 2.535 9.386 -7.970 1.00 0.27 C ATOM 212 C LEU A 13 2.769 7.881 -7.911 1.00 0.26 C ATOM 213 O LEU A 13 2.152 7.199 -7.103 1.00 0.33 O ATOM 214 CB LEU A 13 1.676 9.845 -9.147 1.00 0.34 C ATOM 215 CG LEU A 13 0.241 9.289 -9.118 1.00 0.69 C ATOM 216 CD1 LEU A 13 -0.716 10.315 -9.738 1.00 1.71 C ATOM 217 CD2 LEU A 13 0.126 7.976 -9.906 1.00 1.98 C ATOM 0 H LEU A 13 4.014 10.568 -8.835 1.00 0.23 H new ATOM 0 HA LEU A 13 1.959 9.661 -7.086 1.00 0.27 H new ATOM 0 HB2 LEU A 13 1.634 10.934 -9.152 1.00 0.34 H new ATOM 0 HB3 LEU A 13 2.156 9.540 -10.077 1.00 0.34 H new ATOM 0 HG LEU A 13 -0.019 9.094 -8.077 1.00 0.69 H new ATOM 0 HD11 LEU A 13 -1.733 9.923 -9.718 1.00 1.71 H new ATOM 0 HD12 LEU A 13 -0.674 11.243 -9.168 1.00 1.71 H new ATOM 0 HD13 LEU A 13 -0.422 10.510 -10.769 1.00 1.71 H new ATOM 0 HD21 LEU A 13 -0.901 7.614 -9.863 1.00 1.98 H new ATOM 0 HD22 LEU A 13 0.406 8.150 -10.945 1.00 1.98 H new ATOM 0 HD23 LEU A 13 0.792 7.231 -9.471 1.00 1.98 H new ATOM 229 N LEU A 14 3.696 7.362 -8.720 1.00 0.25 N ATOM 230 CA LEU A 14 4.071 5.958 -8.666 1.00 0.31 C ATOM 231 C LEU A 14 4.527 5.560 -7.261 1.00 0.28 C ATOM 232 O LEU A 14 4.092 4.541 -6.729 1.00 0.34 O ATOM 233 CB LEU A 14 5.145 5.656 -9.723 1.00 0.37 C ATOM 234 CG LEU A 14 5.184 4.176 -10.141 1.00 0.57 C ATOM 235 CD1 LEU A 14 3.967 3.779 -10.989 1.00 1.86 C ATOM 236 CD2 LEU A 14 6.459 3.921 -10.953 1.00 1.79 C ATOM 0 H LEU A 14 4.200 7.902 -9.423 1.00 0.25 H new ATOM 0 HA LEU A 14 3.193 5.354 -8.896 1.00 0.31 H new ATOM 0 HB2 LEU A 14 4.962 6.271 -10.604 1.00 0.37 H new ATOM 0 HB3 LEU A 14 6.121 5.942 -9.332 1.00 0.37 H new ATOM 0 HG LEU A 14 5.169 3.574 -9.233 1.00 0.57 H new ATOM 0 HD11 LEU A 14 4.040 2.726 -11.259 1.00 1.86 H new ATOM 0 HD12 LEU A 14 3.055 3.944 -10.416 1.00 1.86 H new ATOM 0 HD13 LEU A 14 3.941 4.385 -11.895 1.00 1.86 H new ATOM 0 HD21 LEU A 14 6.495 2.874 -11.254 1.00 1.79 H new ATOM 0 HD22 LEU A 14 6.458 4.554 -11.841 1.00 1.79 H new ATOM 0 HD23 LEU A 14 7.332 4.154 -10.343 1.00 1.79 H new ATOM 248 N VAL A 15 5.378 6.382 -6.641 1.00 0.22 N ATOM 249 CA VAL A 15 5.781 6.153 -5.255 1.00 0.26 C ATOM 250 C VAL A 15 4.544 6.095 -4.346 1.00 0.31 C ATOM 251 O VAL A 15 4.391 5.152 -3.572 1.00 0.34 O ATOM 252 CB VAL A 15 6.816 7.195 -4.791 1.00 0.29 C ATOM 253 CG1 VAL A 15 7.156 7.016 -3.304 1.00 0.41 C ATOM 254 CG2 VAL A 15 8.114 7.063 -5.599 1.00 0.32 C ATOM 0 H VAL A 15 5.797 7.205 -7.074 1.00 0.22 H new ATOM 0 HA VAL A 15 6.278 5.185 -5.188 1.00 0.26 H new ATOM 0 HB VAL A 15 6.374 8.179 -4.948 1.00 0.29 H new ATOM 0 HG11 VAL A 15 7.889 7.766 -3.006 1.00 0.41 H new ATOM 0 HG12 VAL A 15 6.252 7.135 -2.707 1.00 0.41 H new ATOM 0 HG13 VAL A 15 7.569 6.020 -3.143 1.00 0.41 H new ATOM 0 HG21 VAL A 15 8.833 7.807 -5.257 1.00 0.32 H new ATOM 0 HG22 VAL A 15 8.530 6.065 -5.459 1.00 0.32 H new ATOM 0 HG23 VAL A 15 7.902 7.222 -6.656 1.00 0.32 H new ATOM 264 N VAL A 16 3.644 7.077 -4.448 1.00 0.35 N ATOM 265 CA VAL A 16 2.411 7.072 -3.669 1.00 0.44 C ATOM 266 C VAL A 16 1.642 5.770 -3.912 1.00 0.47 C ATOM 267 O VAL A 16 1.211 5.135 -2.955 1.00 0.52 O ATOM 268 CB VAL A 16 1.574 8.335 -3.943 1.00 0.46 C ATOM 269 CG1 VAL A 16 0.169 8.236 -3.331 1.00 0.58 C ATOM 270 CG2 VAL A 16 2.269 9.564 -3.342 1.00 0.50 C ATOM 0 H VAL A 16 3.750 7.884 -5.063 1.00 0.35 H new ATOM 0 HA VAL A 16 2.655 7.104 -2.607 1.00 0.44 H new ATOM 0 HB VAL A 16 1.483 8.429 -5.025 1.00 0.46 H new ATOM 0 HG11 VAL A 16 -0.387 9.148 -3.548 1.00 0.58 H new ATOM 0 HG12 VAL A 16 -0.355 7.381 -3.758 1.00 0.58 H new ATOM 0 HG13 VAL A 16 0.250 8.109 -2.252 1.00 0.58 H new ATOM 0 HG21 VAL A 16 1.671 10.453 -3.540 1.00 0.50 H new ATOM 0 HG22 VAL A 16 2.376 9.431 -2.265 1.00 0.50 H new ATOM 0 HG23 VAL A 16 3.254 9.682 -3.793 1.00 0.50 H new ATOM 280 N VAL A 17 1.494 5.334 -5.165 1.00 0.46 N ATOM 281 CA VAL A 17 0.837 4.084 -5.490 1.00 0.51 C ATOM 282 C VAL A 17 1.515 2.923 -4.756 1.00 0.49 C ATOM 283 O VAL A 17 0.832 2.122 -4.125 1.00 0.50 O ATOM 284 CB VAL A 17 0.756 3.896 -7.015 1.00 0.52 C ATOM 285 CG1 VAL A 17 0.312 2.479 -7.386 1.00 0.59 C ATOM 286 CG2 VAL A 17 -0.253 4.886 -7.616 1.00 0.57 C ATOM 0 H VAL A 17 1.831 5.847 -5.980 1.00 0.46 H new ATOM 0 HA VAL A 17 -0.194 4.105 -5.138 1.00 0.51 H new ATOM 0 HB VAL A 17 1.755 4.074 -7.414 1.00 0.52 H new ATOM 0 HG11 VAL A 17 0.266 2.384 -8.471 1.00 0.59 H new ATOM 0 HG12 VAL A 17 1.026 1.758 -6.989 1.00 0.59 H new ATOM 0 HG13 VAL A 17 -0.674 2.284 -6.963 1.00 0.59 H new ATOM 0 HG21 VAL A 17 -0.303 4.745 -8.696 1.00 0.57 H new ATOM 0 HG22 VAL A 17 -1.237 4.711 -7.181 1.00 0.57 H new ATOM 0 HG23 VAL A 17 0.064 5.906 -7.398 1.00 0.57 H new ATOM 296 N VAL A 18 2.847 2.831 -4.794 1.00 0.46 N ATOM 297 CA VAL A 18 3.572 1.821 -4.039 1.00 0.49 C ATOM 298 C VAL A 18 3.207 1.888 -2.550 1.00 0.48 C ATOM 299 O VAL A 18 2.940 0.856 -1.934 1.00 0.50 O ATOM 300 CB VAL A 18 5.088 1.918 -4.294 1.00 0.50 C ATOM 301 CG1 VAL A 18 5.884 0.991 -3.364 1.00 0.57 C ATOM 302 CG2 VAL A 18 5.414 1.530 -5.743 1.00 0.53 C ATOM 0 H VAL A 18 3.442 3.450 -5.344 1.00 0.46 H new ATOM 0 HA VAL A 18 3.267 0.835 -4.391 1.00 0.49 H new ATOM 0 HB VAL A 18 5.373 2.952 -4.100 1.00 0.50 H new ATOM 0 HG11 VAL A 18 6.949 1.090 -3.576 1.00 0.57 H new ATOM 0 HG12 VAL A 18 5.694 1.266 -2.327 1.00 0.57 H new ATOM 0 HG13 VAL A 18 5.575 -0.041 -3.528 1.00 0.57 H new ATOM 0 HG21 VAL A 18 6.489 1.604 -5.906 1.00 0.53 H new ATOM 0 HG22 VAL A 18 5.088 0.506 -5.928 1.00 0.53 H new ATOM 0 HG23 VAL A 18 4.896 2.204 -6.425 1.00 0.53 H new ATOM 312 N VAL A 19 3.166 3.090 -1.965 1.00 0.47 N ATOM 313 CA VAL A 19 2.798 3.240 -0.563 1.00 0.47 C ATOM 314 C VAL A 19 1.382 2.701 -0.352 1.00 0.45 C ATOM 315 O VAL A 19 1.147 1.921 0.567 1.00 0.45 O ATOM 316 CB VAL A 19 2.962 4.696 -0.085 1.00 0.48 C ATOM 317 CG1 VAL A 19 2.458 4.868 1.355 1.00 0.49 C ATOM 318 CG2 VAL A 19 4.438 5.113 -0.120 1.00 0.48 C ATOM 0 H VAL A 19 3.383 3.965 -2.442 1.00 0.47 H new ATOM 0 HA VAL A 19 3.478 2.653 0.054 1.00 0.47 H new ATOM 0 HB VAL A 19 2.375 5.320 -0.758 1.00 0.48 H new ATOM 0 HG11 VAL A 19 2.587 5.905 1.664 1.00 0.49 H new ATOM 0 HG12 VAL A 19 1.402 4.603 1.405 1.00 0.49 H new ATOM 0 HG13 VAL A 19 3.027 4.218 2.020 1.00 0.49 H new ATOM 0 HG21 VAL A 19 4.533 6.144 0.221 1.00 0.48 H new ATOM 0 HG22 VAL A 19 5.016 4.460 0.534 1.00 0.48 H new ATOM 0 HG23 VAL A 19 4.815 5.032 -1.140 1.00 0.48 H new ATOM 328 N VAL A 20 0.443 3.087 -1.217 1.00 0.46 N ATOM 329 CA VAL A 20 -0.930 2.616 -1.172 1.00 0.46 C ATOM 330 C VAL A 20 -0.971 1.085 -1.209 1.00 0.45 C ATOM 331 O VAL A 20 -1.634 0.468 -0.378 1.00 0.44 O ATOM 332 CB VAL A 20 -1.783 3.271 -2.275 1.00 0.48 C ATOM 333 CG1 VAL A 20 -3.166 2.614 -2.391 1.00 0.54 C ATOM 334 CG2 VAL A 20 -1.987 4.764 -1.980 1.00 0.49 C ATOM 0 H VAL A 20 0.623 3.744 -1.976 1.00 0.46 H new ATOM 0 HA VAL A 20 -1.378 2.922 -0.226 1.00 0.46 H new ATOM 0 HB VAL A 20 -1.243 3.137 -3.212 1.00 0.48 H new ATOM 0 HG11 VAL A 20 -3.737 3.104 -3.180 1.00 0.54 H new ATOM 0 HG12 VAL A 20 -3.048 1.558 -2.632 1.00 0.54 H new ATOM 0 HG13 VAL A 20 -3.697 2.713 -1.444 1.00 0.54 H new ATOM 0 HG21 VAL A 20 -2.592 5.211 -2.769 1.00 0.49 H new ATOM 0 HG22 VAL A 20 -2.496 4.880 -1.023 1.00 0.49 H new ATOM 0 HG23 VAL A 20 -1.018 5.262 -1.938 1.00 0.49 H new ATOM 344 N VAL A 21 -0.255 0.458 -2.145 1.00 0.46 N ATOM 345 CA VAL A 21 -0.165 -0.984 -2.250 1.00 0.45 C ATOM 346 C VAL A 21 0.355 -1.578 -0.940 1.00 0.43 C ATOM 347 O VAL A 21 -0.207 -2.550 -0.442 1.00 0.40 O ATOM 348 CB VAL A 21 0.730 -1.323 -3.450 1.00 0.50 C ATOM 349 CG1 VAL A 21 1.144 -2.792 -3.459 1.00 0.52 C ATOM 350 CG2 VAL A 21 0.003 -1.016 -4.768 1.00 0.51 C ATOM 0 H VAL A 21 0.283 0.952 -2.857 1.00 0.46 H new ATOM 0 HA VAL A 21 -1.148 -1.425 -2.418 1.00 0.45 H new ATOM 0 HB VAL A 21 1.624 -0.706 -3.357 1.00 0.50 H new ATOM 0 HG11 VAL A 21 1.776 -2.987 -4.325 1.00 0.52 H new ATOM 0 HG12 VAL A 21 1.697 -3.020 -2.548 1.00 0.52 H new ATOM 0 HG13 VAL A 21 0.255 -3.420 -3.510 1.00 0.52 H new ATOM 0 HG21 VAL A 21 0.653 -1.262 -5.608 1.00 0.51 H new ATOM 0 HG22 VAL A 21 -0.909 -1.611 -4.828 1.00 0.51 H new ATOM 0 HG23 VAL A 21 -0.252 0.043 -4.805 1.00 0.51 H new ATOM 360 N LEU A 22 1.415 -1.001 -0.370 1.00 0.46 N ATOM 361 CA LEU A 22 1.966 -1.431 0.901 1.00 0.48 C ATOM 362 C LEU A 22 0.884 -1.330 1.985 1.00 0.44 C ATOM 363 O LEU A 22 0.663 -2.281 2.730 1.00 0.43 O ATOM 364 CB LEU A 22 3.266 -0.635 1.154 1.00 0.55 C ATOM 365 CG LEU A 22 3.498 -0.164 2.590 1.00 0.60 C ATOM 366 CD1 LEU A 22 3.823 -1.330 3.533 1.00 0.64 C ATOM 367 CD2 LEU A 22 4.654 0.842 2.641 1.00 0.67 C ATOM 0 H LEU A 22 1.914 -0.216 -0.788 1.00 0.46 H new ATOM 0 HA LEU A 22 2.257 -2.481 0.909 1.00 0.48 H new ATOM 0 HB2 LEU A 22 4.111 -1.255 0.856 1.00 0.55 H new ATOM 0 HB3 LEU A 22 3.266 0.239 0.502 1.00 0.55 H new ATOM 0 HG LEU A 22 2.572 0.305 2.922 1.00 0.60 H new ATOM 0 HD11 LEU A 22 3.980 -0.949 4.542 1.00 0.64 H new ATOM 0 HD12 LEU A 22 2.993 -2.037 3.537 1.00 0.64 H new ATOM 0 HD13 LEU A 22 4.727 -1.834 3.191 1.00 0.64 H new ATOM 0 HD21 LEU A 22 4.807 1.168 3.670 1.00 0.67 H new ATOM 0 HD22 LEU A 22 5.564 0.370 2.271 1.00 0.67 H new ATOM 0 HD23 LEU A 22 4.414 1.704 2.019 1.00 0.67 H new ATOM 379 N VAL A 23 0.166 -0.210 2.060 1.00 0.44 N ATOM 380 CA VAL A 23 -0.870 0.011 3.039 1.00 0.44 C ATOM 381 C VAL A 23 -1.989 -1.014 2.858 1.00 0.38 C ATOM 382 O VAL A 23 -2.484 -1.563 3.838 1.00 0.35 O ATOM 383 CB VAL A 23 -1.317 1.475 2.910 1.00 0.47 C ATOM 384 CG1 VAL A 23 -2.681 1.711 3.538 1.00 0.48 C ATOM 385 CG2 VAL A 23 -0.282 2.400 3.566 1.00 0.53 C ATOM 0 H VAL A 23 0.299 0.577 1.425 1.00 0.44 H new ATOM 0 HA VAL A 23 -0.517 -0.139 4.059 1.00 0.44 H new ATOM 0 HB VAL A 23 -1.395 1.700 1.846 1.00 0.47 H new ATOM 0 HG11 VAL A 23 -2.958 2.759 3.424 1.00 0.48 H new ATOM 0 HG12 VAL A 23 -3.423 1.084 3.043 1.00 0.48 H new ATOM 0 HG13 VAL A 23 -2.642 1.459 4.598 1.00 0.48 H new ATOM 0 HG21 VAL A 23 -0.607 3.436 3.470 1.00 0.53 H new ATOM 0 HG22 VAL A 23 -0.185 2.147 4.622 1.00 0.53 H new ATOM 0 HG23 VAL A 23 0.682 2.275 3.073 1.00 0.53 H new ATOM 395 N VAL A 24 -2.375 -1.319 1.620 1.00 0.37 N ATOM 396 CA VAL A 24 -3.347 -2.326 1.328 1.00 0.33 C ATOM 397 C VAL A 24 -2.834 -3.691 1.788 1.00 0.29 C ATOM 398 O VAL A 24 -3.554 -4.409 2.471 1.00 0.24 O ATOM 399 CB VAL A 24 -3.665 -2.210 -0.169 1.00 0.37 C ATOM 400 CG1 VAL A 24 -4.232 -3.502 -0.722 1.00 0.36 C ATOM 401 CG2 VAL A 24 -4.647 -1.056 -0.412 1.00 0.41 C ATOM 0 H VAL A 24 -2.004 -0.855 0.790 1.00 0.37 H new ATOM 0 HA VAL A 24 -4.282 -2.195 1.872 1.00 0.33 H new ATOM 0 HB VAL A 24 -2.731 -2.006 -0.692 1.00 0.37 H new ATOM 0 HG11 VAL A 24 -4.445 -3.381 -1.784 1.00 0.36 H new ATOM 0 HG12 VAL A 24 -3.507 -4.305 -0.586 1.00 0.36 H new ATOM 0 HG13 VAL A 24 -5.152 -3.751 -0.194 1.00 0.36 H new ATOM 0 HG21 VAL A 24 -4.866 -0.983 -1.477 1.00 0.41 H new ATOM 0 HG22 VAL A 24 -5.571 -1.243 0.136 1.00 0.41 H new ATOM 0 HG23 VAL A 24 -4.203 -0.122 -0.068 1.00 0.41 H new ATOM 411 N VAL A 25 -1.589 -4.049 1.473 1.00 0.32 N ATOM 412 CA VAL A 25 -0.971 -5.258 1.967 1.00 0.30 C ATOM 413 C VAL A 25 -0.977 -5.290 3.495 1.00 0.26 C ATOM 414 O VAL A 25 -1.190 -6.348 4.079 1.00 0.21 O ATOM 415 CB VAL A 25 0.424 -5.404 1.339 1.00 0.36 C ATOM 416 CG1 VAL A 25 1.435 -6.104 2.244 1.00 0.29 C ATOM 417 CG2 VAL A 25 0.277 -6.195 0.037 1.00 0.47 C ATOM 0 H VAL A 25 -0.985 -3.498 0.863 1.00 0.32 H new ATOM 0 HA VAL A 25 -1.548 -6.132 1.665 1.00 0.30 H new ATOM 0 HB VAL A 25 0.813 -4.401 1.167 1.00 0.36 H new ATOM 0 HG11 VAL A 25 2.396 -6.170 1.733 1.00 0.29 H new ATOM 0 HG12 VAL A 25 1.553 -5.535 3.166 1.00 0.29 H new ATOM 0 HG13 VAL A 25 1.079 -7.107 2.479 1.00 0.29 H new ATOM 0 HG21 VAL A 25 1.255 -6.313 -0.430 1.00 0.47 H new ATOM 0 HG22 VAL A 25 -0.142 -7.177 0.254 1.00 0.47 H new ATOM 0 HG23 VAL A 25 -0.386 -5.659 -0.642 1.00 0.47 H new ATOM 427 N VAL A 26 -0.769 -4.149 4.151 1.00 0.32 N ATOM 428 CA VAL A 26 -0.799 -4.077 5.603 1.00 0.34 C ATOM 429 C VAL A 26 -2.225 -4.355 6.071 1.00 0.31 C ATOM 430 O VAL A 26 -2.422 -5.165 6.972 1.00 0.31 O ATOM 431 CB VAL A 26 -0.234 -2.737 6.098 1.00 0.43 C ATOM 432 CG1 VAL A 26 -0.736 -2.337 7.492 1.00 0.48 C ATOM 433 CG2 VAL A 26 1.297 -2.775 6.085 1.00 0.48 C ATOM 0 H VAL A 26 -0.577 -3.259 3.692 1.00 0.32 H new ATOM 0 HA VAL A 26 -0.152 -4.837 6.041 1.00 0.34 H new ATOM 0 HB VAL A 26 -0.598 -1.976 5.408 1.00 0.43 H new ATOM 0 HG11 VAL A 26 -0.296 -1.381 7.777 1.00 0.48 H new ATOM 0 HG12 VAL A 26 -1.822 -2.246 7.475 1.00 0.48 H new ATOM 0 HG13 VAL A 26 -0.447 -3.099 8.215 1.00 0.48 H new ATOM 0 HG21 VAL A 26 1.688 -1.820 6.438 1.00 0.48 H new ATOM 0 HG22 VAL A 26 1.647 -3.574 6.739 1.00 0.48 H new ATOM 0 HG23 VAL A 26 1.648 -2.958 5.069 1.00 0.48 H new ATOM 443 N ILE A 27 -3.225 -3.719 5.452 1.00 0.31 N ATOM 444 CA ILE A 27 -4.619 -3.915 5.800 1.00 0.30 C ATOM 445 C ILE A 27 -4.959 -5.400 5.635 1.00 0.24 C ATOM 446 O ILE A 27 -5.578 -6.007 6.506 1.00 0.22 O ATOM 447 CB ILE A 27 -5.493 -2.987 4.938 1.00 0.33 C ATOM 448 CG1 ILE A 27 -5.531 -1.593 5.589 1.00 0.43 C ATOM 449 CG2 ILE A 27 -6.930 -3.513 4.780 1.00 0.32 C ATOM 450 CD1 ILE A 27 -5.914 -0.496 4.591 1.00 0.44 C ATOM 0 H ILE A 27 -3.080 -3.053 4.693 1.00 0.31 H new ATOM 0 HA ILE A 27 -4.815 -3.651 6.839 1.00 0.30 H new ATOM 0 HB ILE A 27 -5.051 -2.943 3.943 1.00 0.33 H new ATOM 0 HG12 ILE A 27 -6.246 -1.598 6.412 1.00 0.43 H new ATOM 0 HG13 ILE A 27 -4.554 -1.367 6.017 1.00 0.43 H new ATOM 0 HG21 ILE A 27 -7.505 -2.822 4.164 1.00 0.32 H new ATOM 0 HG22 ILE A 27 -6.908 -4.493 4.303 1.00 0.32 H new ATOM 0 HG23 ILE A 27 -7.396 -3.598 5.762 1.00 0.32 H new ATOM 0 HD11 ILE A 27 -5.927 0.469 5.098 1.00 0.44 H new ATOM 0 HD12 ILE A 27 -5.185 -0.470 3.781 1.00 0.44 H new ATOM 0 HD13 ILE A 27 -6.903 -0.705 4.183 1.00 0.44 H new ATOM 462 N VAL A 28 -4.536 -5.993 4.516 1.00 0.24 N ATOM 463 CA VAL A 28 -4.845 -7.373 4.196 1.00 0.26 C ATOM 464 C VAL A 28 -4.167 -8.292 5.209 1.00 0.25 C ATOM 465 O VAL A 28 -4.818 -9.148 5.803 1.00 0.30 O ATOM 466 CB VAL A 28 -4.449 -7.670 2.739 1.00 0.34 C ATOM 467 CG1 VAL A 28 -4.466 -9.171 2.439 1.00 0.42 C ATOM 468 CG2 VAL A 28 -5.426 -6.976 1.779 1.00 0.39 C ATOM 0 H VAL A 28 -3.969 -5.522 3.811 1.00 0.24 H new ATOM 0 HA VAL A 28 -5.917 -7.557 4.269 1.00 0.26 H new ATOM 0 HB VAL A 28 -3.436 -7.294 2.598 1.00 0.34 H new ATOM 0 HG11 VAL A 28 -4.181 -9.338 1.400 1.00 0.42 H new ATOM 0 HG12 VAL A 28 -3.761 -9.681 3.095 1.00 0.42 H new ATOM 0 HG13 VAL A 28 -5.468 -9.564 2.607 1.00 0.42 H new ATOM 0 HG21 VAL A 28 -5.139 -7.191 0.750 1.00 0.39 H new ATOM 0 HG22 VAL A 28 -6.436 -7.344 1.959 1.00 0.39 H new ATOM 0 HG23 VAL A 28 -5.397 -5.899 1.946 1.00 0.39 H new ATOM 478 N GLY A 29 -2.864 -8.107 5.426 1.00 0.27 N ATOM 479 CA GLY A 29 -2.118 -8.856 6.423 1.00 0.31 C ATOM 480 C GLY A 29 -2.789 -8.770 7.790 1.00 0.31 C ATOM 481 O GLY A 29 -3.012 -9.793 8.429 1.00 0.43 O ATOM 0 H GLY A 29 -2.300 -7.431 4.911 1.00 0.27 H new ATOM 0 HA2 GLY A 29 -2.042 -9.899 6.117 1.00 0.31 H new ATOM 0 HA3 GLY A 29 -1.101 -8.468 6.488 1.00 0.31 H new ATOM 485 N ALA A 30 -3.136 -7.558 8.221 1.00 0.26 N ATOM 486 CA ALA A 30 -3.816 -7.319 9.486 1.00 0.37 C ATOM 487 C ALA A 30 -5.135 -8.095 9.545 1.00 0.45 C ATOM 488 O ALA A 30 -5.394 -8.817 10.507 1.00 0.69 O ATOM 489 CB ALA A 30 -4.025 -5.814 9.679 1.00 0.41 C ATOM 0 H ALA A 30 -2.949 -6.706 7.692 1.00 0.26 H new ATOM 0 HA ALA A 30 -3.198 -7.682 10.307 1.00 0.37 H new ATOM 0 HB1 ALA A 30 -4.534 -5.636 10.626 1.00 0.41 H new ATOM 0 HB2 ALA A 30 -3.058 -5.310 9.686 1.00 0.41 H new ATOM 0 HB3 ALA A 30 -4.632 -5.423 8.862 1.00 0.41 H new ATOM 495 N LEU A 31 -5.947 -8.013 8.487 1.00 0.33 N ATOM 496 CA LEU A 31 -7.200 -8.717 8.385 1.00 0.39 C ATOM 497 C LEU A 31 -6.955 -10.229 8.499 1.00 0.51 C ATOM 498 O LEU A 31 -7.652 -10.905 9.252 1.00 0.72 O ATOM 499 CB LEU A 31 -7.866 -8.227 7.088 1.00 0.32 C ATOM 500 CG LEU A 31 -8.889 -9.196 6.525 1.00 0.43 C ATOM 501 CD1 LEU A 31 -10.107 -9.372 7.440 1.00 0.54 C ATOM 502 CD2 LEU A 31 -9.345 -8.750 5.131 1.00 0.45 C ATOM 0 H LEU A 31 -5.735 -7.441 7.669 1.00 0.33 H new ATOM 0 HA LEU A 31 -7.895 -8.510 9.199 1.00 0.39 H new ATOM 0 HB2 LEU A 31 -8.351 -7.270 7.278 1.00 0.32 H new ATOM 0 HB3 LEU A 31 -7.095 -8.050 6.338 1.00 0.32 H new ATOM 0 HG LEU A 31 -8.393 -10.164 6.456 1.00 0.43 H new ATOM 0 HD11 LEU A 31 -10.804 -10.076 6.986 1.00 0.54 H new ATOM 0 HD12 LEU A 31 -9.783 -9.755 8.408 1.00 0.54 H new ATOM 0 HD13 LEU A 31 -10.601 -8.410 7.578 1.00 0.54 H new ATOM 0 HD21 LEU A 31 -10.078 -9.458 4.744 1.00 0.45 H new ATOM 0 HD22 LEU A 31 -9.795 -7.759 5.195 1.00 0.45 H new ATOM 0 HD23 LEU A 31 -8.486 -8.715 4.461 1.00 0.45 H new ATOM 514 N LEU A 32 -5.970 -10.775 7.777 1.00 0.44 N ATOM 515 CA LEU A 32 -5.692 -12.205 7.804 1.00 0.59 C ATOM 516 C LEU A 32 -5.177 -12.634 9.190 1.00 0.64 C ATOM 517 O LEU A 32 -5.574 -13.675 9.708 1.00 0.71 O ATOM 518 CB LEU A 32 -4.914 -12.626 6.538 1.00 0.85 C ATOM 519 CG LEU A 32 -3.570 -13.277 6.827 1.00 1.91 C ATOM 520 CD1 LEU A 32 -3.700 -14.775 7.133 1.00 3.20 C ATOM 521 CD2 LEU A 32 -2.605 -13.097 5.649 1.00 3.05 C ATOM 0 H LEU A 32 -5.353 -10.240 7.166 1.00 0.44 H new ATOM 0 HA LEU A 32 -6.597 -12.806 7.717 1.00 0.59 H new ATOM 0 HB2 LEU A 32 -5.526 -13.320 5.962 1.00 0.85 H new ATOM 0 HB3 LEU A 32 -4.754 -11.747 5.913 1.00 0.85 H new ATOM 0 HG LEU A 32 -3.175 -12.775 7.711 1.00 1.91 H new ATOM 0 HD11 LEU A 32 -2.713 -15.193 7.332 1.00 3.20 H new ATOM 0 HD12 LEU A 32 -4.336 -14.914 8.007 1.00 3.20 H new ATOM 0 HD13 LEU A 32 -4.143 -15.284 6.277 1.00 3.20 H new ATOM 0 HD21 LEU A 32 -1.652 -13.572 5.883 1.00 3.05 H new ATOM 0 HD22 LEU A 32 -3.030 -13.557 4.757 1.00 3.05 H new ATOM 0 HD23 LEU A 32 -2.446 -12.034 5.468 1.00 3.05 H new ATOM 533 N MET A 33 -4.322 -11.816 9.809 1.00 0.62 N ATOM 534 CA MET A 33 -3.807 -12.043 11.150 1.00 0.72 C ATOM 535 C MET A 33 -4.940 -11.996 12.180 1.00 0.77 C ATOM 536 O MET A 33 -4.911 -12.733 13.163 1.00 0.98 O ATOM 537 CB MET A 33 -2.733 -10.985 11.447 1.00 0.73 C ATOM 538 CG MET A 33 -2.079 -11.162 12.822 1.00 1.48 C ATOM 539 SD MET A 33 -0.758 -9.973 13.163 1.00 2.26 S ATOM 540 CE MET A 33 -0.276 -10.492 14.824 1.00 3.57 C ATOM 0 H MET A 33 -3.965 -10.963 9.379 1.00 0.62 H new ATOM 0 HA MET A 33 -3.360 -13.035 11.214 1.00 0.72 H new ATOM 0 HB2 MET A 33 -1.963 -11.031 10.677 1.00 0.73 H new ATOM 0 HB3 MET A 33 -3.182 -9.994 11.390 1.00 0.73 H new ATOM 0 HG2 MET A 33 -2.845 -11.071 13.592 1.00 1.48 H new ATOM 0 HG3 MET A 33 -1.674 -12.171 12.894 1.00 1.48 H new ATOM 0 HE1 MET A 33 0.533 -9.857 15.183 1.00 3.57 H new ATOM 0 HE2 MET A 33 -1.131 -10.405 15.495 1.00 3.57 H new ATOM 0 HE3 MET A 33 0.061 -11.528 14.798 1.00 3.57 H new ATOM 550 N GLY A 34 -5.905 -11.100 11.971 1.00 0.70 N ATOM 551 CA GLY A 34 -6.917 -10.755 12.949 1.00 0.80 C ATOM 552 C GLY A 34 -6.360 -9.659 13.850 1.00 2.20 C ATOM 553 O GLY A 34 -6.250 -9.841 15.062 1.00 3.12 O ATOM 0 H GLY A 34 -6.000 -10.587 11.095 1.00 0.70 H new ATOM 0 HA2 GLY A 34 -7.824 -10.413 12.451 1.00 0.80 H new ATOM 0 HA3 GLY A 34 -7.188 -11.630 13.539 1.00 0.80 H new ATOM 557 N LEU A 35 -5.991 -8.530 13.243 1.00 3.15 N ATOM 558 CA LEU A 35 -5.467 -7.346 13.896 1.00 5.14 C ATOM 559 C LEU A 35 -6.094 -6.159 13.161 1.00 5.80 C ATOM 560 O LEU A 35 -6.449 -5.182 13.816 1.00 6.76 O ATOM 561 CB LEU A 35 -3.931 -7.357 13.772 1.00 6.64 C ATOM 562 CG LEU A 35 -3.155 -6.654 14.899 1.00 8.06 C ATOM 563 CD1 LEU A 35 -3.603 -5.208 15.128 1.00 8.94 C ATOM 564 CD2 LEU A 35 -3.223 -7.447 16.211 1.00 8.62 C ATOM 565 OXT LEU A 35 -6.430 -6.336 11.989 1.00 5.91 O ATOM 0 H LEU A 35 -6.056 -8.419 12.231 1.00 3.15 H new ATOM 0 HA LEU A 35 -5.704 -7.296 14.959 1.00 5.14 H new ATOM 0 HB2 LEU A 35 -3.598 -8.394 13.722 1.00 6.64 H new ATOM 0 HB3 LEU A 35 -3.660 -6.889 12.826 1.00 6.64 H new ATOM 0 HG LEU A 35 -2.118 -6.618 14.564 1.00 8.06 H new ATOM 0 HD11 LEU A 35 -3.017 -4.769 15.935 1.00 8.94 H new ATOM 0 HD12 LEU A 35 -3.452 -4.631 14.215 1.00 8.94 H new ATOM 0 HD13 LEU A 35 -4.659 -5.193 15.396 1.00 8.94 H new ATOM 0 HD21 LEU A 35 -2.664 -6.920 16.984 1.00 8.62 H new ATOM 0 HD22 LEU A 35 -4.263 -7.549 16.521 1.00 8.62 H new ATOM 0 HD23 LEU A 35 -2.791 -8.436 16.061 1.00 8.62 H new TER 577 LEU A 35