USER MOD reduce.3.24.130724 H: found=0, std=0, add=318, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 318 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 LEU N :NH3+ 125:sc= 0.237 (180deg=0) USER MOD Single : A 5 CYS SG : rot -53:sc= -0.0511 USER MOD Single : A 6 CYS SG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 11 LYS NZ :NH3+ -165:sc= -0.0582 (180deg=-0.463) USER MOD Single : A 33 MET CE :methyl -173:sc=-0.00881 (180deg=-0.103) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 11.646 9.840 -26.539 1.00 16.14 N ATOM 2 CA LEU A 1 11.876 10.659 -25.335 1.00 14.84 C ATOM 3 C LEU A 1 13.020 10.001 -24.568 1.00 14.70 C ATOM 4 O LEU A 1 13.235 8.810 -24.777 1.00 15.65 O ATOM 5 CB LEU A 1 10.587 10.723 -24.497 1.00 14.52 C ATOM 6 CG LEU A 1 10.671 11.549 -23.201 1.00 14.21 C ATOM 7 CD1 LEU A 1 10.987 13.025 -23.473 1.00 14.18 C ATOM 8 CD2 LEU A 1 9.328 11.448 -22.470 1.00 14.12 C ATOM 0 H1 LEU A 1 10.649 9.547 -26.574 1.00 16.14 H new ATOM 0 H2 LEU A 1 11.873 10.398 -27.387 1.00 16.14 H new ATOM 0 H3 LEU A 1 12.254 8.997 -26.507 1.00 16.14 H new ATOM 0 HA LEU A 1 12.141 11.686 -25.585 1.00 14.84 H new ATOM 0 HB2 LEU A 1 9.792 11.136 -25.118 1.00 14.52 H new ATOM 0 HB3 LEU A 1 10.293 9.706 -24.239 1.00 14.52 H new ATOM 0 HG LEU A 1 11.482 11.146 -22.594 1.00 14.21 H new ATOM 0 HD11 LEU A 1 11.036 13.567 -22.528 1.00 14.18 H new ATOM 0 HD12 LEU A 1 11.945 13.103 -23.986 1.00 14.18 H new ATOM 0 HD13 LEU A 1 10.204 13.455 -24.098 1.00 14.18 H new ATOM 0 HD21 LEU A 1 9.371 12.028 -21.548 1.00 14.12 H new ATOM 0 HD22 LEU A 1 8.536 11.839 -23.109 1.00 14.12 H new ATOM 0 HD23 LEU A 1 9.121 10.405 -22.232 1.00 14.12 H new ATOM 22 N ARG A 2 13.746 10.743 -23.732 1.00 13.86 N ATOM 23 CA ARG A 2 14.736 10.214 -22.806 1.00 13.87 C ATOM 24 C ARG A 2 14.895 11.245 -21.686 1.00 12.32 C ATOM 25 O ARG A 2 14.304 12.319 -21.793 1.00 11.54 O ATOM 26 CB ARG A 2 16.060 9.899 -23.524 1.00 15.22 C ATOM 27 CG ARG A 2 16.671 11.106 -24.251 1.00 15.41 C ATOM 28 CD ARG A 2 18.129 10.805 -24.623 1.00 16.51 C ATOM 29 NE ARG A 2 18.787 11.959 -25.261 1.00 16.78 N ATOM 30 CZ ARG A 2 18.807 12.232 -26.577 1.00 17.77 C ATOM 31 NH1 ARG A 2 18.118 11.465 -27.430 1.00 18.50 N ATOM 32 NH2 ARG A 2 19.513 13.273 -27.033 1.00 18.28 N ATOM 0 H ARG A 2 13.656 11.758 -23.682 1.00 13.86 H new ATOM 0 HA ARG A 2 14.412 9.264 -22.382 1.00 13.87 H new ATOM 0 HB2 ARG A 2 16.778 9.524 -22.795 1.00 15.22 H new ATOM 0 HB3 ARG A 2 15.891 9.099 -24.245 1.00 15.22 H new ATOM 0 HG2 ARG A 2 16.096 11.331 -25.149 1.00 15.41 H new ATOM 0 HG3 ARG A 2 16.624 11.989 -23.613 1.00 15.41 H new ATOM 0 HD2 ARG A 2 18.681 10.523 -23.726 1.00 16.51 H new ATOM 0 HD3 ARG A 2 18.161 9.950 -25.299 1.00 16.51 H new ATOM 0 HE ARG A 2 19.273 12.612 -24.646 1.00 16.78 H new ATOM 0 HH11 ARG A 2 17.578 10.673 -27.082 1.00 18.50 H new ATOM 0 HH12 ARG A 2 18.133 11.672 -28.429 1.00 18.50 H new ATOM 0 HH21 ARG A 2 20.036 13.859 -26.382 1.00 18.28 H new ATOM 0 HH22 ARG A 2 19.529 13.481 -28.032 1.00 18.28 H new ATOM 46 N ILE A 3 15.702 10.918 -20.668 1.00 12.16 N ATOM 47 CA ILE A 3 16.020 11.728 -19.492 1.00 11.12 C ATOM 48 C ILE A 3 14.782 11.980 -18.607 1.00 9.78 C ATOM 49 O ILE A 3 13.762 12.469 -19.090 1.00 9.17 O ATOM 50 CB ILE A 3 16.752 13.014 -19.919 1.00 11.32 C ATOM 51 CG1 ILE A 3 18.075 12.636 -20.614 1.00 12.73 C ATOM 52 CG2 ILE A 3 17.044 13.940 -18.731 1.00 11.22 C ATOM 53 CD1 ILE A 3 18.439 13.652 -21.689 1.00 12.97 C ATOM 0 H ILE A 3 16.181 10.018 -20.646 1.00 12.16 H new ATOM 0 HA ILE A 3 16.705 11.169 -18.854 1.00 11.12 H new ATOM 0 HB ILE A 3 16.099 13.557 -20.603 1.00 11.32 H new ATOM 0 HG12 ILE A 3 18.875 12.581 -19.875 1.00 12.73 H new ATOM 0 HG13 ILE A 3 17.985 11.646 -21.061 1.00 12.73 H new ATOM 0 HG21 ILE A 3 17.561 14.832 -19.084 1.00 11.22 H new ATOM 0 HG22 ILE A 3 16.107 14.228 -18.255 1.00 11.22 H new ATOM 0 HG23 ILE A 3 17.672 13.418 -18.009 1.00 11.22 H new ATOM 0 HD11 ILE A 3 19.376 13.360 -22.163 1.00 12.97 H new ATOM 0 HD12 ILE A 3 17.649 13.687 -22.439 1.00 12.97 H new ATOM 0 HD13 ILE A 3 18.553 14.637 -21.236 1.00 12.97 H new ATOM 65 N PRO A 4 14.831 11.673 -17.297 1.00 9.72 N ATOM 66 CA PRO A 4 13.695 11.858 -16.404 1.00 8.97 C ATOM 67 C PRO A 4 13.539 13.334 -16.004 1.00 7.67 C ATOM 68 O PRO A 4 13.517 13.664 -14.821 1.00 8.22 O ATOM 69 CB PRO A 4 13.981 10.939 -15.211 1.00 10.15 C ATOM 70 CG PRO A 4 15.505 10.984 -15.118 1.00 10.88 C ATOM 71 CD PRO A 4 15.934 11.042 -16.585 1.00 10.93 C ATOM 0 HA PRO A 4 12.744 11.601 -16.872 1.00 8.97 H new ATOM 0 HB2 PRO A 4 13.508 11.300 -14.298 1.00 10.15 H new ATOM 0 HB3 PRO A 4 13.614 9.927 -15.381 1.00 10.15 H new ATOM 0 HG2 PRO A 4 15.850 11.855 -14.561 1.00 10.88 H new ATOM 0 HG3 PRO A 4 15.905 10.104 -14.614 1.00 10.88 H new ATOM 0 HD2 PRO A 4 16.853 11.616 -16.701 1.00 10.93 H new ATOM 0 HD3 PRO A 4 16.130 10.043 -16.975 1.00 10.93 H new ATOM 79 N CYS A 5 13.395 14.220 -16.994 1.00 6.59 N ATOM 80 CA CYS A 5 13.111 15.642 -16.814 1.00 5.88 C ATOM 81 C CYS A 5 11.923 15.989 -17.711 1.00 4.79 C ATOM 82 O CYS A 5 11.921 16.950 -18.474 1.00 5.27 O ATOM 83 CB CYS A 5 14.361 16.477 -17.106 1.00 7.11 C ATOM 84 SG CYS A 5 14.061 18.184 -16.584 1.00 7.83 S ATOM 0 H CYS A 5 13.476 13.955 -17.976 1.00 6.59 H new ATOM 0 HA CYS A 5 12.844 15.872 -15.783 1.00 5.88 H new ATOM 0 HB2 CYS A 5 15.221 16.066 -16.576 1.00 7.11 H new ATOM 0 HB3 CYS A 5 14.596 16.444 -18.170 1.00 7.11 H new ATOM 0 HG CYS A 5 12.966 18.620 -17.134 1.00 7.83 H new ATOM 90 N CYS A 6 10.913 15.122 -17.635 1.00 4.24 N ATOM 91 CA CYS A 6 9.663 15.187 -18.374 1.00 4.26 C ATOM 92 C CYS A 6 8.605 14.354 -17.643 1.00 3.66 C ATOM 93 O CYS A 6 7.614 14.927 -17.191 1.00 3.60 O ATOM 94 CB CYS A 6 9.868 14.794 -19.836 1.00 5.68 C ATOM 95 SG CYS A 6 8.244 14.688 -20.619 1.00 6.90 S ATOM 0 H CYS A 6 10.953 14.310 -17.019 1.00 4.24 H new ATOM 0 HA CYS A 6 9.295 16.212 -18.409 1.00 4.26 H new ATOM 0 HB2 CYS A 6 10.489 15.531 -20.345 1.00 5.68 H new ATOM 0 HB3 CYS A 6 10.387 13.838 -19.904 1.00 5.68 H new ATOM 0 HG CYS A 6 8.385 14.356 -21.868 1.00 6.90 H new ATOM 101 N PRO A 7 8.819 13.046 -17.394 1.00 3.63 N ATOM 102 CA PRO A 7 8.006 12.284 -16.451 1.00 3.38 C ATOM 103 C PRO A 7 8.338 12.681 -15.007 1.00 2.88 C ATOM 104 O PRO A 7 8.743 11.851 -14.196 1.00 3.01 O ATOM 105 CB PRO A 7 8.323 10.815 -16.754 1.00 4.20 C ATOM 106 CG PRO A 7 9.780 10.876 -17.203 1.00 4.61 C ATOM 107 CD PRO A 7 9.817 12.176 -18.005 1.00 4.36 C ATOM 0 HA PRO A 7 6.939 12.477 -16.557 1.00 3.38 H new ATOM 0 HB2 PRO A 7 8.196 10.183 -15.875 1.00 4.20 H new ATOM 0 HB3 PRO A 7 7.675 10.413 -17.533 1.00 4.20 H new ATOM 0 HG2 PRO A 7 10.466 10.900 -16.356 1.00 4.61 H new ATOM 0 HG3 PRO A 7 10.055 10.014 -17.811 1.00 4.61 H new ATOM 0 HD2 PRO A 7 10.807 12.630 -17.969 1.00 4.36 H new ATOM 0 HD3 PRO A 7 9.588 11.995 -19.055 1.00 4.36 H new ATOM 115 N VAL A 8 8.139 13.956 -14.674 1.00 2.63 N ATOM 116 CA VAL A 8 8.185 14.458 -13.311 1.00 2.36 C ATOM 117 C VAL A 8 6.754 14.385 -12.773 1.00 2.09 C ATOM 118 O VAL A 8 5.803 14.262 -13.544 1.00 2.92 O ATOM 119 CB VAL A 8 8.759 15.889 -13.289 1.00 2.74 C ATOM 120 CG1 VAL A 8 9.184 16.314 -11.876 1.00 3.08 C ATOM 121 CG2 VAL A 8 9.986 16.016 -14.206 1.00 4.05 C ATOM 0 H VAL A 8 7.937 14.680 -15.363 1.00 2.63 H new ATOM 0 HA VAL A 8 8.844 13.865 -12.677 1.00 2.36 H new ATOM 0 HB VAL A 8 7.957 16.538 -13.642 1.00 2.74 H new ATOM 0 HG11 VAL A 8 9.583 17.328 -11.906 1.00 3.08 H new ATOM 0 HG12 VAL A 8 8.321 16.283 -11.211 1.00 3.08 H new ATOM 0 HG13 VAL A 8 9.951 15.633 -11.507 1.00 3.08 H new ATOM 0 HG21 VAL A 8 10.365 17.037 -14.167 1.00 4.05 H new ATOM 0 HG22 VAL A 8 10.762 15.327 -13.873 1.00 4.05 H new ATOM 0 HG23 VAL A 8 9.702 15.774 -15.230 1.00 4.05 H new ATOM 131 N ASN A 9 6.603 14.393 -11.448 1.00 1.64 N ATOM 132 CA ASN A 9 5.346 14.328 -10.697 1.00 1.29 C ATOM 133 C ASN A 9 4.673 12.956 -10.780 1.00 0.90 C ATOM 134 O ASN A 9 4.344 12.368 -9.750 1.00 0.93 O ATOM 135 CB ASN A 9 4.367 15.446 -11.098 1.00 1.52 C ATOM 136 CG ASN A 9 4.928 16.835 -10.804 1.00 2.49 C ATOM 137 OD1 ASN A 9 5.836 17.302 -11.483 1.00 4.00 O ATOM 138 ND2 ASN A 9 4.408 17.508 -9.782 1.00 2.91 N ATOM 0 H ASN A 9 7.411 14.449 -10.827 1.00 1.64 H new ATOM 0 HA ASN A 9 5.621 14.487 -9.654 1.00 1.29 H new ATOM 0 HB2 ASN A 9 4.141 15.365 -12.161 1.00 1.52 H new ATOM 0 HB3 ASN A 9 3.428 15.314 -10.561 1.00 1.52 H new ATOM 0 HD21 ASN A 9 4.764 18.435 -9.548 1.00 2.91 H new ATOM 0 HD22 ASN A 9 3.653 17.098 -9.232 1.00 2.91 H new ATOM 145 N LEU A 10 4.570 12.381 -11.976 1.00 0.93 N ATOM 146 CA LEU A 10 3.957 11.074 -12.169 1.00 0.83 C ATOM 147 C LEU A 10 4.788 9.996 -11.480 1.00 0.78 C ATOM 148 O LEU A 10 4.242 9.030 -10.956 1.00 0.72 O ATOM 149 CB LEU A 10 3.672 10.802 -13.654 1.00 1.33 C ATOM 150 CG LEU A 10 4.896 10.575 -14.559 1.00 2.15 C ATOM 151 CD1 LEU A 10 5.318 9.099 -14.600 1.00 3.56 C ATOM 152 CD2 LEU A 10 4.521 10.993 -15.986 1.00 3.13 C ATOM 0 H LEU A 10 4.910 12.810 -12.837 1.00 0.93 H new ATOM 0 HA LEU A 10 2.978 11.057 -11.689 1.00 0.83 H new ATOM 0 HB2 LEU A 10 3.030 9.924 -13.723 1.00 1.33 H new ATOM 0 HB3 LEU A 10 3.105 11.644 -14.052 1.00 1.33 H new ATOM 0 HG LEU A 10 5.724 11.161 -14.159 1.00 2.15 H new ATOM 0 HD11 LEU A 10 6.185 8.986 -15.251 1.00 3.56 H new ATOM 0 HD12 LEU A 10 5.573 8.765 -13.594 1.00 3.56 H new ATOM 0 HD13 LEU A 10 4.495 8.496 -14.984 1.00 3.56 H new ATOM 0 HD21 LEU A 10 5.375 10.841 -16.646 1.00 3.13 H new ATOM 0 HD22 LEU A 10 3.682 10.390 -16.333 1.00 3.13 H new ATOM 0 HD23 LEU A 10 4.239 12.046 -15.995 1.00 3.13 H new ATOM 164 N LYS A 11 6.111 10.184 -11.424 1.00 0.85 N ATOM 165 CA LYS A 11 6.984 9.286 -10.688 1.00 0.81 C ATOM 166 C LYS A 11 6.570 9.247 -9.218 1.00 0.58 C ATOM 167 O LYS A 11 6.339 8.174 -8.663 1.00 0.60 O ATOM 168 CB LYS A 11 8.448 9.714 -10.847 1.00 0.98 C ATOM 169 CG LYS A 11 8.966 9.321 -12.238 1.00 2.51 C ATOM 170 CD LYS A 11 10.376 9.861 -12.529 1.00 3.39 C ATOM 171 CE LYS A 11 11.524 8.928 -12.109 1.00 3.43 C ATOM 172 NZ LYS A 11 11.570 8.670 -10.656 1.00 2.99 N ATOM 0 H LYS A 11 6.595 10.955 -11.884 1.00 0.85 H new ATOM 0 HA LYS A 11 6.888 8.279 -11.094 1.00 0.81 H new ATOM 0 HB2 LYS A 11 8.537 10.792 -10.709 1.00 0.98 H new ATOM 0 HB3 LYS A 11 9.058 9.242 -10.077 1.00 0.98 H new ATOM 0 HG2 LYS A 11 8.975 8.234 -12.323 1.00 2.51 H new ATOM 0 HG3 LYS A 11 8.277 9.694 -12.995 1.00 2.51 H new ATOM 0 HD2 LYS A 11 10.460 10.059 -13.597 1.00 3.39 H new ATOM 0 HD3 LYS A 11 10.497 10.816 -12.017 1.00 3.39 H new ATOM 0 HE2 LYS A 11 11.422 7.979 -12.636 1.00 3.43 H new ATOM 0 HE3 LYS A 11 12.471 9.366 -12.423 1.00 3.43 H new ATOM 0 HZ1 LYS A 11 12.491 8.256 -10.406 1.00 2.99 H new ATOM 0 HZ2 LYS A 11 11.441 9.564 -10.140 1.00 2.99 H new ATOM 0 HZ3 LYS A 11 10.811 8.008 -10.397 1.00 2.99 H new ATOM 186 N ARG A 12 6.468 10.415 -8.577 1.00 0.51 N ATOM 187 CA ARG A 12 6.102 10.437 -7.167 1.00 0.46 C ATOM 188 C ARG A 12 4.650 10.007 -6.953 1.00 0.30 C ATOM 189 O ARG A 12 4.323 9.435 -5.917 1.00 0.38 O ATOM 190 CB ARG A 12 6.454 11.759 -6.470 1.00 0.76 C ATOM 191 CG ARG A 12 5.720 12.976 -7.041 1.00 1.74 C ATOM 192 CD ARG A 12 5.969 14.241 -6.211 1.00 2.31 C ATOM 193 NE ARG A 12 5.362 14.138 -4.872 1.00 2.75 N ATOM 194 CZ ARG A 12 5.395 15.100 -3.934 1.00 3.72 C ATOM 195 NH1 ARG A 12 6.008 16.260 -4.191 1.00 4.56 N ATOM 196 NH2 ARG A 12 4.814 14.897 -2.745 1.00 4.61 N ATOM 0 H ARG A 12 6.629 11.329 -9.000 1.00 0.51 H new ATOM 0 HA ARG A 12 6.722 9.690 -6.672 1.00 0.46 H new ATOM 0 HB2 ARG A 12 6.222 11.672 -5.409 1.00 0.76 H new ATOM 0 HB3 ARG A 12 7.528 11.925 -6.549 1.00 0.76 H new ATOM 0 HG2 ARG A 12 6.045 13.146 -8.067 1.00 1.74 H new ATOM 0 HG3 ARG A 12 4.650 12.770 -7.076 1.00 1.74 H new ATOM 0 HD2 ARG A 12 7.042 14.408 -6.113 1.00 2.31 H new ATOM 0 HD3 ARG A 12 5.558 15.106 -6.732 1.00 2.31 H new ATOM 0 HE ARG A 12 4.880 13.270 -4.639 1.00 2.75 H new ATOM 0 HH11 ARG A 12 6.449 16.414 -5.098 1.00 4.56 H new ATOM 0 HH12 ARG A 12 6.034 16.991 -3.481 1.00 4.56 H new ATOM 0 HH21 ARG A 12 4.346 14.012 -2.551 1.00 4.61 H new ATOM 0 HH22 ARG A 12 4.839 15.628 -2.034 1.00 4.61 H new ATOM 210 N LEU A 13 3.798 10.199 -7.960 1.00 0.26 N ATOM 211 CA LEU A 13 2.460 9.623 -7.969 1.00 0.34 C ATOM 212 C LEU A 13 2.585 8.096 -7.889 1.00 0.36 C ATOM 213 O LEU A 13 1.977 7.460 -7.032 1.00 0.47 O ATOM 214 CB LEU A 13 1.679 10.104 -9.198 1.00 0.39 C ATOM 215 CG LEU A 13 0.159 10.217 -8.992 1.00 1.03 C ATOM 216 CD1 LEU A 13 -0.477 10.750 -10.282 1.00 2.06 C ATOM 217 CD2 LEU A 13 -0.493 8.881 -8.622 1.00 1.69 C ATOM 0 H LEU A 13 4.017 10.755 -8.786 1.00 0.26 H new ATOM 0 HA LEU A 13 1.888 9.957 -7.103 1.00 0.34 H new ATOM 0 HB2 LEU A 13 2.064 11.079 -9.498 1.00 0.39 H new ATOM 0 HB3 LEU A 13 1.870 9.418 -10.024 1.00 0.39 H new ATOM 0 HG LEU A 13 -0.009 10.898 -8.157 1.00 1.03 H new ATOM 0 HD11 LEU A 13 -1.555 10.834 -10.148 1.00 2.06 H new ATOM 0 HD12 LEU A 13 -0.062 11.731 -10.514 1.00 2.06 H new ATOM 0 HD13 LEU A 13 -0.266 10.064 -11.102 1.00 2.06 H new ATOM 0 HD21 LEU A 13 -1.565 9.024 -8.489 1.00 1.69 H new ATOM 0 HD22 LEU A 13 -0.319 8.158 -9.419 1.00 1.69 H new ATOM 0 HD23 LEU A 13 -0.059 8.509 -7.694 1.00 1.69 H new ATOM 229 N LEU A 14 3.425 7.506 -8.743 1.00 0.34 N ATOM 230 CA LEU A 14 3.701 6.078 -8.731 1.00 0.44 C ATOM 231 C LEU A 14 4.191 5.642 -7.347 1.00 0.36 C ATOM 232 O LEU A 14 3.703 4.662 -6.792 1.00 0.44 O ATOM 233 CB LEU A 14 4.698 5.718 -9.850 1.00 0.55 C ATOM 234 CG LEU A 14 4.488 4.340 -10.505 1.00 0.83 C ATOM 235 CD1 LEU A 14 4.475 3.188 -9.496 1.00 2.26 C ATOM 236 CD2 LEU A 14 3.218 4.303 -11.365 1.00 2.88 C ATOM 0 H LEU A 14 3.934 8.015 -9.466 1.00 0.34 H new ATOM 0 HA LEU A 14 2.781 5.529 -8.932 1.00 0.44 H new ATOM 0 HB2 LEU A 14 4.639 6.482 -10.625 1.00 0.55 H new ATOM 0 HB3 LEU A 14 5.707 5.756 -9.440 1.00 0.55 H new ATOM 0 HG LEU A 14 5.353 4.194 -11.152 1.00 0.83 H new ATOM 0 HD11 LEU A 14 4.323 2.245 -10.022 1.00 2.26 H new ATOM 0 HD12 LEU A 14 5.427 3.158 -8.965 1.00 2.26 H new ATOM 0 HD13 LEU A 14 3.666 3.339 -8.782 1.00 2.26 H new ATOM 0 HD21 LEU A 14 3.108 3.313 -11.808 1.00 2.88 H new ATOM 0 HD22 LEU A 14 2.350 4.520 -10.742 1.00 2.88 H new ATOM 0 HD23 LEU A 14 3.293 5.049 -12.156 1.00 2.88 H new ATOM 248 N VAL A 15 5.121 6.396 -6.755 1.00 0.23 N ATOM 249 CA VAL A 15 5.569 6.125 -5.390 1.00 0.21 C ATOM 250 C VAL A 15 4.373 6.115 -4.426 1.00 0.26 C ATOM 251 O VAL A 15 4.225 5.178 -3.644 1.00 0.30 O ATOM 252 CB VAL A 15 6.676 7.100 -4.947 1.00 0.25 C ATOM 253 CG1 VAL A 15 7.067 6.866 -3.481 1.00 0.37 C ATOM 254 CG2 VAL A 15 7.935 6.918 -5.806 1.00 0.35 C ATOM 0 H VAL A 15 5.575 7.194 -7.198 1.00 0.23 H new ATOM 0 HA VAL A 15 6.017 5.132 -5.367 1.00 0.21 H new ATOM 0 HB VAL A 15 6.279 8.108 -5.067 1.00 0.25 H new ATOM 0 HG11 VAL A 15 7.850 7.569 -3.197 1.00 0.37 H new ATOM 0 HG12 VAL A 15 6.196 7.016 -2.844 1.00 0.37 H new ATOM 0 HG13 VAL A 15 7.433 5.846 -3.360 1.00 0.37 H new ATOM 0 HG21 VAL A 15 8.704 7.616 -5.476 1.00 0.35 H new ATOM 0 HG22 VAL A 15 8.302 5.897 -5.701 1.00 0.35 H new ATOM 0 HG23 VAL A 15 7.693 7.111 -6.851 1.00 0.35 H new ATOM 264 N VAL A 16 3.503 7.129 -4.479 1.00 0.33 N ATOM 265 CA VAL A 16 2.305 7.153 -3.646 1.00 0.46 C ATOM 266 C VAL A 16 1.480 5.884 -3.881 1.00 0.52 C ATOM 267 O VAL A 16 1.088 5.233 -2.917 1.00 0.57 O ATOM 268 CB VAL A 16 1.501 8.452 -3.853 1.00 0.53 C ATOM 269 CG1 VAL A 16 0.118 8.380 -3.189 1.00 0.70 C ATOM 270 CG2 VAL A 16 2.257 9.643 -3.249 1.00 0.55 C ATOM 0 H VAL A 16 3.609 7.940 -5.089 1.00 0.33 H new ATOM 0 HA VAL A 16 2.598 7.156 -2.596 1.00 0.46 H new ATOM 0 HB VAL A 16 1.374 8.579 -4.928 1.00 0.53 H new ATOM 0 HG11 VAL A 16 -0.416 9.315 -3.358 1.00 0.70 H new ATOM 0 HG12 VAL A 16 -0.450 7.555 -3.619 1.00 0.70 H new ATOM 0 HG13 VAL A 16 0.237 8.219 -2.118 1.00 0.70 H new ATOM 0 HG21 VAL A 16 1.680 10.555 -3.401 1.00 0.55 H new ATOM 0 HG22 VAL A 16 2.401 9.479 -2.181 1.00 0.55 H new ATOM 0 HG23 VAL A 16 3.227 9.742 -3.735 1.00 0.55 H new ATOM 280 N VAL A 17 1.240 5.496 -5.137 1.00 0.55 N ATOM 281 CA VAL A 17 0.537 4.266 -5.447 1.00 0.64 C ATOM 282 C VAL A 17 1.215 3.074 -4.757 1.00 0.58 C ATOM 283 O VAL A 17 0.548 2.296 -4.081 1.00 0.62 O ATOM 284 CB VAL A 17 0.392 4.097 -6.969 1.00 0.70 C ATOM 285 CG1 VAL A 17 -0.166 2.718 -7.323 1.00 0.84 C ATOM 286 CG2 VAL A 17 -0.556 5.159 -7.543 1.00 0.78 C ATOM 0 H VAL A 17 1.529 6.028 -5.957 1.00 0.55 H new ATOM 0 HA VAL A 17 -0.477 4.313 -5.050 1.00 0.64 H new ATOM 0 HB VAL A 17 1.387 4.209 -7.399 1.00 0.70 H new ATOM 0 HG11 VAL A 17 -0.257 2.629 -8.406 1.00 0.84 H new ATOM 0 HG12 VAL A 17 0.508 1.946 -6.951 1.00 0.84 H new ATOM 0 HG13 VAL A 17 -1.147 2.594 -6.865 1.00 0.84 H new ATOM 0 HG21 VAL A 17 -0.645 5.023 -8.621 1.00 0.78 H new ATOM 0 HG22 VAL A 17 -1.538 5.057 -7.082 1.00 0.78 H new ATOM 0 HG23 VAL A 17 -0.158 6.152 -7.335 1.00 0.78 H new ATOM 296 N VAL A 18 2.536 2.932 -4.889 1.00 0.49 N ATOM 297 CA VAL A 18 3.284 1.874 -4.228 1.00 0.45 C ATOM 298 C VAL A 18 3.057 1.910 -2.711 1.00 0.42 C ATOM 299 O VAL A 18 2.823 0.869 -2.098 1.00 0.43 O ATOM 300 CB VAL A 18 4.774 1.931 -4.615 1.00 0.40 C ATOM 301 CG1 VAL A 18 5.618 0.954 -3.784 1.00 0.39 C ATOM 302 CG2 VAL A 18 4.947 1.564 -6.095 1.00 0.47 C ATOM 0 H VAL A 18 3.113 3.551 -5.459 1.00 0.49 H new ATOM 0 HA VAL A 18 2.911 0.910 -4.574 1.00 0.45 H new ATOM 0 HB VAL A 18 5.114 2.949 -4.423 1.00 0.40 H new ATOM 0 HG11 VAL A 18 6.662 1.026 -4.088 1.00 0.39 H new ATOM 0 HG12 VAL A 18 5.530 1.205 -2.727 1.00 0.39 H new ATOM 0 HG13 VAL A 18 5.262 -0.063 -3.946 1.00 0.39 H new ATOM 0 HG21 VAL A 18 6.004 1.607 -6.359 1.00 0.47 H new ATOM 0 HG22 VAL A 18 4.571 0.555 -6.266 1.00 0.47 H new ATOM 0 HG23 VAL A 18 4.390 2.269 -6.712 1.00 0.47 H new ATOM 312 N VAL A 19 3.103 3.095 -2.095 1.00 0.40 N ATOM 313 CA VAL A 19 2.864 3.228 -0.665 1.00 0.41 C ATOM 314 C VAL A 19 1.458 2.719 -0.344 1.00 0.47 C ATOM 315 O VAL A 19 1.283 1.912 0.566 1.00 0.45 O ATOM 316 CB VAL A 19 3.109 4.675 -0.201 1.00 0.41 C ATOM 317 CG1 VAL A 19 2.615 4.906 1.234 1.00 0.46 C ATOM 318 CG2 VAL A 19 4.608 5.000 -0.253 1.00 0.36 C ATOM 0 H VAL A 19 3.304 3.975 -2.570 1.00 0.40 H new ATOM 0 HA VAL A 19 3.572 2.616 -0.106 1.00 0.41 H new ATOM 0 HB VAL A 19 2.551 5.325 -0.875 1.00 0.41 H new ATOM 0 HG11 VAL A 19 2.807 5.939 1.523 1.00 0.46 H new ATOM 0 HG12 VAL A 19 1.545 4.707 1.287 1.00 0.46 H new ATOM 0 HG13 VAL A 19 3.143 4.236 1.913 1.00 0.46 H new ATOM 0 HG21 VAL A 19 4.769 6.026 0.077 1.00 0.36 H new ATOM 0 HG22 VAL A 19 5.151 4.318 0.402 1.00 0.36 H new ATOM 0 HG23 VAL A 19 4.970 4.887 -1.275 1.00 0.36 H new ATOM 328 N VAL A 20 0.460 3.160 -1.112 1.00 0.55 N ATOM 329 CA VAL A 20 -0.913 2.715 -0.955 1.00 0.63 C ATOM 330 C VAL A 20 -0.990 1.187 -1.039 1.00 0.59 C ATOM 331 O VAL A 20 -1.583 0.554 -0.171 1.00 0.59 O ATOM 332 CB VAL A 20 -1.851 3.430 -1.946 1.00 0.73 C ATOM 333 CG1 VAL A 20 -3.258 2.815 -1.945 1.00 0.87 C ATOM 334 CG2 VAL A 20 -1.981 4.915 -1.577 1.00 0.76 C ATOM 0 H VAL A 20 0.589 3.839 -1.862 1.00 0.55 H new ATOM 0 HA VAL A 20 -1.266 2.994 0.038 1.00 0.63 H new ATOM 0 HB VAL A 20 -1.412 3.315 -2.937 1.00 0.73 H new ATOM 0 HG11 VAL A 20 -3.888 3.348 -2.657 1.00 0.87 H new ATOM 0 HG12 VAL A 20 -3.196 1.765 -2.230 1.00 0.87 H new ATOM 0 HG13 VAL A 20 -3.690 2.895 -0.947 1.00 0.87 H new ATOM 0 HG21 VAL A 20 -2.646 5.409 -2.285 1.00 0.76 H new ATOM 0 HG22 VAL A 20 -2.390 5.005 -0.571 1.00 0.76 H new ATOM 0 HG23 VAL A 20 -0.999 5.386 -1.613 1.00 0.76 H new ATOM 344 N VAL A 21 -0.375 0.578 -2.055 1.00 0.57 N ATOM 345 CA VAL A 21 -0.324 -0.863 -2.216 1.00 0.54 C ATOM 346 C VAL A 21 0.294 -1.522 -0.979 1.00 0.45 C ATOM 347 O VAL A 21 -0.237 -2.509 -0.478 1.00 0.40 O ATOM 348 CB VAL A 21 0.454 -1.172 -3.501 1.00 0.58 C ATOM 349 CG1 VAL A 21 0.832 -2.648 -3.595 1.00 0.57 C ATOM 350 CG2 VAL A 21 -0.376 -0.805 -4.740 1.00 0.66 C ATOM 0 H VAL A 21 0.107 1.087 -2.796 1.00 0.57 H new ATOM 0 HA VAL A 21 -1.328 -1.277 -2.308 1.00 0.54 H new ATOM 0 HB VAL A 21 1.364 -0.573 -3.466 1.00 0.58 H new ATOM 0 HG11 VAL A 21 1.382 -2.825 -4.520 1.00 0.57 H new ATOM 0 HG12 VAL A 21 1.457 -2.918 -2.744 1.00 0.57 H new ATOM 0 HG13 VAL A 21 -0.072 -3.256 -3.589 1.00 0.57 H new ATOM 0 HG21 VAL A 21 0.195 -1.032 -5.641 1.00 0.66 H new ATOM 0 HG22 VAL A 21 -1.301 -1.381 -4.742 1.00 0.66 H new ATOM 0 HG23 VAL A 21 -0.611 0.259 -4.718 1.00 0.66 H new ATOM 360 N LEU A 22 1.407 -0.986 -0.474 1.00 0.42 N ATOM 361 CA LEU A 22 2.061 -1.482 0.725 1.00 0.36 C ATOM 362 C LEU A 22 1.085 -1.407 1.906 1.00 0.35 C ATOM 363 O LEU A 22 0.902 -2.387 2.626 1.00 0.30 O ATOM 364 CB LEU A 22 3.398 -0.725 0.893 1.00 0.35 C ATOM 365 CG LEU A 22 3.764 -0.304 2.318 1.00 0.36 C ATOM 366 CD1 LEU A 22 4.129 -1.503 3.203 1.00 0.36 C ATOM 367 CD2 LEU A 22 4.953 0.663 2.295 1.00 0.37 C ATOM 0 H LEU A 22 1.880 -0.187 -0.895 1.00 0.42 H new ATOM 0 HA LEU A 22 2.326 -2.537 0.661 1.00 0.36 H new ATOM 0 HB2 LEU A 22 4.199 -1.355 0.506 1.00 0.35 H new ATOM 0 HB3 LEU A 22 3.366 0.169 0.270 1.00 0.35 H new ATOM 0 HG LEU A 22 2.883 0.180 2.738 1.00 0.36 H new ATOM 0 HD11 LEU A 22 4.381 -1.153 4.204 1.00 0.36 H new ATOM 0 HD12 LEU A 22 3.281 -2.185 3.260 1.00 0.36 H new ATOM 0 HD13 LEU A 22 4.985 -2.024 2.775 1.00 0.36 H new ATOM 0 HD21 LEU A 22 5.204 0.955 3.315 1.00 0.37 H new ATOM 0 HD22 LEU A 22 5.812 0.173 1.836 1.00 0.37 H new ATOM 0 HD23 LEU A 22 4.690 1.549 1.718 1.00 0.37 H new ATOM 379 N VAL A 23 0.414 -0.271 2.093 1.00 0.41 N ATOM 380 CA VAL A 23 -0.539 -0.077 3.158 1.00 0.44 C ATOM 381 C VAL A 23 -1.695 -1.069 3.013 1.00 0.42 C ATOM 382 O VAL A 23 -2.134 -1.654 4.000 1.00 0.39 O ATOM 383 CB VAL A 23 -0.956 1.400 3.125 1.00 0.53 C ATOM 384 CG1 VAL A 23 -2.240 1.638 3.901 1.00 0.61 C ATOM 385 CG2 VAL A 23 0.160 2.279 3.706 1.00 0.52 C ATOM 0 H VAL A 23 0.527 0.546 1.493 1.00 0.41 H new ATOM 0 HA VAL A 23 -0.117 -0.283 4.142 1.00 0.44 H new ATOM 0 HB VAL A 23 -1.132 1.666 2.083 1.00 0.53 H new ATOM 0 HG11 VAL A 23 -2.503 2.695 3.854 1.00 0.61 H new ATOM 0 HG12 VAL A 23 -3.044 1.045 3.465 1.00 0.61 H new ATOM 0 HG13 VAL A 23 -2.096 1.345 4.941 1.00 0.61 H new ATOM 0 HG21 VAL A 23 -0.148 3.324 3.677 1.00 0.52 H new ATOM 0 HG22 VAL A 23 0.354 1.986 4.738 1.00 0.52 H new ATOM 0 HG23 VAL A 23 1.068 2.152 3.116 1.00 0.52 H new ATOM 395 N VAL A 24 -2.172 -1.307 1.793 1.00 0.44 N ATOM 396 CA VAL A 24 -3.178 -2.286 1.514 1.00 0.42 C ATOM 397 C VAL A 24 -2.666 -3.679 1.886 1.00 0.32 C ATOM 398 O VAL A 24 -3.374 -4.418 2.556 1.00 0.24 O ATOM 399 CB VAL A 24 -3.588 -2.099 0.049 1.00 0.50 C ATOM 400 CG1 VAL A 24 -4.205 -3.357 -0.527 1.00 0.49 C ATOM 401 CG2 VAL A 24 -4.568 -0.925 -0.080 1.00 0.59 C ATOM 0 H VAL A 24 -1.852 -0.805 0.965 1.00 0.44 H new ATOM 0 HA VAL A 24 -4.077 -2.164 2.118 1.00 0.42 H new ATOM 0 HB VAL A 24 -2.685 -1.882 -0.521 1.00 0.50 H new ATOM 0 HG11 VAL A 24 -4.482 -3.183 -1.567 1.00 0.49 H new ATOM 0 HG12 VAL A 24 -3.484 -4.173 -0.475 1.00 0.49 H new ATOM 0 HG13 VAL A 24 -5.094 -3.622 0.046 1.00 0.49 H new ATOM 0 HG21 VAL A 24 -4.852 -0.802 -1.125 1.00 0.59 H new ATOM 0 HG22 VAL A 24 -5.458 -1.126 0.517 1.00 0.59 H new ATOM 0 HG23 VAL A 24 -4.091 -0.012 0.277 1.00 0.59 H new ATOM 411 N VAL A 25 -1.439 -4.047 1.515 1.00 0.34 N ATOM 412 CA VAL A 25 -0.832 -5.288 1.947 1.00 0.28 C ATOM 413 C VAL A 25 -0.777 -5.379 3.471 1.00 0.22 C ATOM 414 O VAL A 25 -1.041 -6.440 4.030 1.00 0.20 O ATOM 415 CB VAL A 25 0.531 -5.463 1.258 1.00 0.31 C ATOM 416 CG1 VAL A 25 1.597 -6.128 2.132 1.00 0.27 C ATOM 417 CG2 VAL A 25 0.296 -6.314 0.011 1.00 0.37 C ATOM 0 H VAL A 25 -0.844 -3.486 0.905 1.00 0.34 H new ATOM 0 HA VAL A 25 -1.452 -6.130 1.638 1.00 0.28 H new ATOM 0 HB VAL A 25 0.920 -4.471 1.028 1.00 0.31 H new ATOM 0 HG11 VAL A 25 2.527 -6.213 1.570 1.00 0.27 H new ATOM 0 HG12 VAL A 25 1.766 -5.524 3.023 1.00 0.27 H new ATOM 0 HG13 VAL A 25 1.259 -7.122 2.426 1.00 0.27 H new ATOM 0 HG21 VAL A 25 1.241 -6.464 -0.511 1.00 0.37 H new ATOM 0 HG22 VAL A 25 -0.115 -7.281 0.302 1.00 0.37 H new ATOM 0 HG23 VAL A 25 -0.406 -5.806 -0.649 1.00 0.37 H new ATOM 427 N VAL A 26 -0.458 -4.277 4.151 1.00 0.26 N ATOM 428 CA VAL A 26 -0.438 -4.259 5.606 1.00 0.26 C ATOM 429 C VAL A 26 -1.855 -4.538 6.112 1.00 0.26 C ATOM 430 O VAL A 26 -2.038 -5.363 7.003 1.00 0.29 O ATOM 431 CB VAL A 26 0.166 -2.947 6.128 1.00 0.34 C ATOM 432 CG1 VAL A 26 -0.280 -2.594 7.553 1.00 0.41 C ATOM 433 CG2 VAL A 26 1.696 -2.999 6.047 1.00 0.34 C ATOM 0 H VAL A 26 -0.211 -3.389 3.714 1.00 0.26 H new ATOM 0 HA VAL A 26 0.211 -5.042 5.997 1.00 0.26 H new ATOM 0 HB VAL A 26 -0.212 -2.154 5.482 1.00 0.34 H new ATOM 0 HG11 VAL A 26 0.184 -1.656 7.858 1.00 0.41 H new ATOM 0 HG12 VAL A 26 -1.364 -2.487 7.579 1.00 0.41 H new ATOM 0 HG13 VAL A 26 0.023 -3.388 8.236 1.00 0.41 H new ATOM 0 HG21 VAL A 26 2.112 -2.063 6.420 1.00 0.34 H new ATOM 0 HG22 VAL A 26 2.064 -3.827 6.653 1.00 0.34 H new ATOM 0 HG23 VAL A 26 2.001 -3.144 5.011 1.00 0.34 H new ATOM 443 N ILE A 27 -2.864 -3.888 5.524 1.00 0.27 N ATOM 444 CA ILE A 27 -4.254 -4.081 5.888 1.00 0.28 C ATOM 445 C ILE A 27 -4.644 -5.543 5.636 1.00 0.23 C ATOM 446 O ILE A 27 -5.334 -6.153 6.446 1.00 0.27 O ATOM 447 CB ILE A 27 -5.121 -3.074 5.114 1.00 0.32 C ATOM 448 CG1 ILE A 27 -5.107 -1.734 5.873 1.00 0.45 C ATOM 449 CG2 ILE A 27 -6.573 -3.549 4.946 1.00 0.30 C ATOM 450 CD1 ILE A 27 -5.488 -0.552 4.978 1.00 0.53 C ATOM 0 H ILE A 27 -2.728 -3.208 4.776 1.00 0.27 H new ATOM 0 HA ILE A 27 -4.417 -3.890 6.949 1.00 0.28 H new ATOM 0 HB ILE A 27 -4.702 -2.968 4.114 1.00 0.32 H new ATOM 0 HG12 ILE A 27 -5.800 -1.788 6.713 1.00 0.45 H new ATOM 0 HG13 ILE A 27 -4.114 -1.566 6.289 1.00 0.45 H new ATOM 0 HG21 ILE A 27 -7.139 -2.800 4.393 1.00 0.30 H new ATOM 0 HG22 ILE A 27 -6.586 -4.491 4.398 1.00 0.30 H new ATOM 0 HG23 ILE A 27 -7.025 -3.693 5.928 1.00 0.30 H new ATOM 0 HD11 ILE A 27 -5.463 0.369 5.561 1.00 0.53 H new ATOM 0 HD12 ILE A 27 -4.780 -0.478 4.152 1.00 0.53 H new ATOM 0 HD13 ILE A 27 -6.492 -0.704 4.583 1.00 0.53 H new ATOM 462 N VAL A 28 -4.197 -6.123 4.520 1.00 0.23 N ATOM 463 CA VAL A 28 -4.487 -7.508 4.188 1.00 0.30 C ATOM 464 C VAL A 28 -3.870 -8.414 5.254 1.00 0.29 C ATOM 465 O VAL A 28 -4.554 -9.266 5.814 1.00 0.39 O ATOM 466 CB VAL A 28 -4.009 -7.823 2.760 1.00 0.37 C ATOM 467 CG1 VAL A 28 -3.955 -9.329 2.495 1.00 0.46 C ATOM 468 CG2 VAL A 28 -4.954 -7.185 1.733 1.00 0.42 C ATOM 0 H VAL A 28 -3.625 -5.642 3.826 1.00 0.23 H new ATOM 0 HA VAL A 28 -5.562 -7.691 4.191 1.00 0.30 H new ATOM 0 HB VAL A 28 -3.004 -7.413 2.663 1.00 0.37 H new ATOM 0 HG11 VAL A 28 -3.613 -9.507 1.476 1.00 0.46 H new ATOM 0 HG12 VAL A 28 -3.265 -9.797 3.197 1.00 0.46 H new ATOM 0 HG13 VAL A 28 -4.949 -9.757 2.624 1.00 0.46 H new ATOM 0 HG21 VAL A 28 -4.606 -7.415 0.726 1.00 0.42 H new ATOM 0 HG22 VAL A 28 -5.960 -7.582 1.868 1.00 0.42 H new ATOM 0 HG23 VAL A 28 -4.969 -6.104 1.874 1.00 0.42 H new ATOM 478 N GLY A 29 -2.587 -8.213 5.560 1.00 0.23 N ATOM 479 CA GLY A 29 -1.925 -8.921 6.646 1.00 0.24 C ATOM 480 C GLY A 29 -2.704 -8.793 7.957 1.00 0.23 C ATOM 481 O GLY A 29 -2.942 -9.789 8.637 1.00 0.32 O ATOM 0 H GLY A 29 -1.984 -7.558 5.062 1.00 0.23 H new ATOM 0 HA2 GLY A 29 -1.821 -9.974 6.385 1.00 0.24 H new ATOM 0 HA3 GLY A 29 -0.918 -8.525 6.780 1.00 0.24 H new ATOM 485 N ALA A 30 -3.121 -7.574 8.301 1.00 0.24 N ATOM 486 CA ALA A 30 -3.916 -7.309 9.493 1.00 0.40 C ATOM 487 C ALA A 30 -5.203 -8.136 9.475 1.00 0.52 C ATOM 488 O ALA A 30 -5.492 -8.851 10.431 1.00 0.74 O ATOM 489 CB ALA A 30 -4.204 -5.809 9.617 1.00 0.51 C ATOM 0 H ALA A 30 -2.913 -6.739 7.754 1.00 0.24 H new ATOM 0 HA ALA A 30 -3.348 -7.610 10.373 1.00 0.40 H new ATOM 0 HB1 ALA A 30 -4.799 -5.625 10.512 1.00 0.51 H new ATOM 0 HB2 ALA A 30 -3.264 -5.263 9.688 1.00 0.51 H new ATOM 0 HB3 ALA A 30 -4.755 -5.471 8.740 1.00 0.51 H new ATOM 495 N LEU A 31 -5.941 -8.107 8.365 1.00 0.45 N ATOM 496 CA LEU A 31 -7.165 -8.845 8.183 1.00 0.59 C ATOM 497 C LEU A 31 -6.883 -10.344 8.363 1.00 0.66 C ATOM 498 O LEU A 31 -7.622 -11.026 9.068 1.00 0.90 O ATOM 499 CB LEU A 31 -7.729 -8.409 6.820 1.00 0.57 C ATOM 500 CG LEU A 31 -8.673 -9.424 6.201 1.00 0.76 C ATOM 501 CD1 LEU A 31 -9.961 -9.605 7.013 1.00 0.93 C ATOM 502 CD2 LEU A 31 -9.015 -9.032 4.759 1.00 0.81 C ATOM 0 H LEU A 31 -5.685 -7.549 7.551 1.00 0.45 H new ATOM 0 HA LEU A 31 -7.935 -8.637 8.926 1.00 0.59 H new ATOM 0 HB2 LEU A 31 -8.255 -7.462 6.940 1.00 0.57 H new ATOM 0 HB3 LEU A 31 -6.901 -8.229 6.134 1.00 0.57 H new ATOM 0 HG LEU A 31 -8.150 -10.380 6.205 1.00 0.76 H new ATOM 0 HD11 LEU A 31 -10.599 -10.342 6.524 1.00 0.93 H new ATOM 0 HD12 LEU A 31 -9.713 -9.949 8.017 1.00 0.93 H new ATOM 0 HD13 LEU A 31 -10.488 -8.653 7.075 1.00 0.93 H new ATOM 0 HD21 LEU A 31 -9.693 -9.771 4.332 1.00 0.81 H new ATOM 0 HD22 LEU A 31 -9.495 -8.053 4.752 1.00 0.81 H new ATOM 0 HD23 LEU A 31 -8.101 -8.992 4.166 1.00 0.81 H new ATOM 514 N LEU A 32 -5.809 -10.866 7.758 1.00 0.52 N ATOM 515 CA LEU A 32 -5.438 -12.269 7.910 1.00 0.61 C ATOM 516 C LEU A 32 -5.119 -12.598 9.373 1.00 0.52 C ATOM 517 O LEU A 32 -5.517 -13.651 9.866 1.00 0.61 O ATOM 518 CB LEU A 32 -4.257 -12.613 6.991 1.00 0.72 C ATOM 519 CG LEU A 32 -4.631 -12.604 5.499 1.00 1.02 C ATOM 520 CD1 LEU A 32 -3.352 -12.589 4.655 1.00 1.77 C ATOM 521 CD2 LEU A 32 -5.466 -13.832 5.115 1.00 1.48 C ATOM 0 H LEU A 32 -5.182 -10.331 7.157 1.00 0.52 H new ATOM 0 HA LEU A 32 -6.288 -12.884 7.614 1.00 0.61 H new ATOM 0 HB2 LEU A 32 -3.451 -11.899 7.162 1.00 0.72 H new ATOM 0 HB3 LEU A 32 -3.872 -13.597 7.257 1.00 0.72 H new ATOM 0 HG LEU A 32 -5.228 -11.712 5.310 1.00 1.02 H new ATOM 0 HD11 LEU A 32 -3.614 -12.583 3.597 1.00 1.77 H new ATOM 0 HD12 LEU A 32 -2.771 -11.697 4.890 1.00 1.77 H new ATOM 0 HD13 LEU A 32 -2.759 -13.477 4.877 1.00 1.77 H new ATOM 0 HD21 LEU A 32 -5.710 -13.789 4.054 1.00 1.48 H new ATOM 0 HD22 LEU A 32 -4.896 -14.738 5.320 1.00 1.48 H new ATOM 0 HD23 LEU A 32 -6.387 -13.843 5.699 1.00 1.48 H new ATOM 533 N MET A 33 -4.404 -11.710 10.069 1.00 0.41 N ATOM 534 CA MET A 33 -4.119 -11.862 11.491 1.00 0.46 C ATOM 535 C MET A 33 -5.417 -11.836 12.310 1.00 0.66 C ATOM 536 O MET A 33 -5.537 -12.547 13.306 1.00 0.86 O ATOM 537 CB MET A 33 -3.148 -10.758 11.935 1.00 0.58 C ATOM 538 CG MET A 33 -2.540 -11.047 13.314 1.00 1.72 C ATOM 539 SD MET A 33 -1.533 -9.718 14.023 1.00 2.70 S ATOM 540 CE MET A 33 -0.309 -9.444 12.724 1.00 2.78 C ATOM 0 H MET A 33 -4.007 -10.865 9.658 1.00 0.41 H new ATOM 0 HA MET A 33 -3.648 -12.829 11.667 1.00 0.46 H new ATOM 0 HB2 MET A 33 -2.349 -10.661 11.200 1.00 0.58 H new ATOM 0 HB3 MET A 33 -3.673 -9.803 11.963 1.00 0.58 H new ATOM 0 HG2 MET A 33 -3.350 -11.274 14.007 1.00 1.72 H new ATOM 0 HG3 MET A 33 -1.925 -11.943 13.239 1.00 1.72 H new ATOM 0 HE1 MET A 33 0.446 -8.742 13.078 1.00 2.78 H new ATOM 0 HE2 MET A 33 0.167 -10.390 12.467 1.00 2.78 H new ATOM 0 HE3 MET A 33 -0.800 -9.034 11.842 1.00 2.78 H new ATOM 550 N GLY A 34 -6.367 -10.998 11.893 1.00 0.74 N ATOM 551 CA GLY A 34 -7.642 -10.765 12.543 1.00 1.05 C ATOM 552 C GLY A 34 -7.622 -9.443 13.308 1.00 1.67 C ATOM 553 O GLY A 34 -8.072 -9.387 14.451 1.00 2.43 O ATOM 0 H GLY A 34 -6.255 -10.438 11.048 1.00 0.74 H new ATOM 0 HA2 GLY A 34 -8.438 -10.749 11.799 1.00 1.05 H new ATOM 0 HA3 GLY A 34 -7.862 -11.584 13.227 1.00 1.05 H new ATOM 557 N LEU A 35 -7.105 -8.387 12.676 1.00 2.62 N ATOM 558 CA LEU A 35 -7.093 -7.021 13.152 1.00 4.39 C ATOM 559 C LEU A 35 -7.647 -6.153 12.024 1.00 5.27 C ATOM 560 O LEU A 35 -7.435 -6.514 10.866 1.00 5.66 O ATOM 561 CB LEU A 35 -5.648 -6.607 13.443 1.00 5.72 C ATOM 562 CG LEU A 35 -4.961 -7.382 14.577 1.00 6.56 C ATOM 563 CD1 LEU A 35 -3.518 -6.881 14.701 1.00 8.32 C ATOM 564 CD2 LEU A 35 -5.673 -7.195 15.922 1.00 7.08 C ATOM 565 OXT LEU A 35 -8.265 -5.133 12.317 1.00 6.25 O ATOM 0 H LEU A 35 -6.659 -8.479 11.763 1.00 2.62 H new ATOM 0 HA LEU A 35 -7.686 -6.912 14.060 1.00 4.39 H new ATOM 0 HB2 LEU A 35 -5.061 -6.731 12.533 1.00 5.72 H new ATOM 0 HB3 LEU A 35 -5.634 -5.545 13.690 1.00 5.72 H new ATOM 0 HG LEU A 35 -4.994 -8.444 14.332 1.00 6.56 H new ATOM 0 HD11 LEU A 35 -3.013 -7.420 15.502 1.00 8.32 H new ATOM 0 HD12 LEU A 35 -2.992 -7.051 13.762 1.00 8.32 H new ATOM 0 HD13 LEU A 35 -3.521 -5.815 14.927 1.00 8.32 H new ATOM 0 HD21 LEU A 35 -5.150 -7.762 16.692 1.00 7.08 H new ATOM 0 HD22 LEU A 35 -5.676 -6.138 16.188 1.00 7.08 H new ATOM 0 HD23 LEU A 35 -6.700 -7.552 15.843 1.00 7.08 H new TER 577 LEU A 35