USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 416 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 47 SER OG : rot -92:sc= 0.585 USER MOD Set 1.2: A 49 LYS NZ :NH3+ -111:sc= 0.66 (180deg=-0.97) USER MOD Set 2.1: A 23 TYR OH : rot 149:sc= 2.3 USER MOD Set 2.2: A 28 LYS NZ :NH3+ -114:sc= -2.85! (180deg=-7.02!) USER MOD Single : A 6 LYS NZ :NH3+ -162:sc= -0.0291 (180deg=-0.517) USER MOD Single : A 9 LYS NZ :NH3+ -161:sc= -3.62! (180deg=-3.85!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0284 USER MOD Single : A 20 LYS NZ :NH3+ -138:sc= -3.51! (180deg=-5.8!) USER MOD Single : A 22 TYR OH : rot 49:sc= 0.932 USER MOD Single : A 26 ASN : amide:sc= 0.612 K(o=0.61,f=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 63:sc= 0.443 USER MOD Single : A 35 TYR OH : rot -34:sc= 0.885 USER MOD Single : A 41 ASN : amide:sc= -3.39! C(o=-3.4!,f=-12!) USER MOD Single : A 43 ASN : amide:sc= 2.8 K(o=2.8,f=-8.6!) USER MOD Single : A 44 LYS NZ :NH3+ -126:sc= -0.207 (180deg=-4.37!) USER MOD Single : A 48 GLN : amide:sc= 0.789 K(o=0.79,f=-0.064) USER MOD Single : A 53 LYS NZ :NH3+ -151:sc= 0.733 (180deg=0.18!) USER MOD ----------------------------------------------------------------- ATOM 32 N ASP A 3 -5.377 -12.509 -2.220 1.00 0.00 N ATOM 33 CA ASP A 3 -5.795 -11.440 -1.259 1.00 0.00 C ATOM 34 C ASP A 3 -5.287 -10.019 -1.647 1.00 0.00 C ATOM 35 O ASP A 3 -5.755 -9.461 -2.622 1.00 0.00 O ATOM 36 CB ASP A 3 -5.278 -12.014 0.100 1.00 0.00 C ATOM 37 CG ASP A 3 -3.896 -12.567 -0.122 1.00 0.00 C ATOM 38 OD1 ASP A 3 -3.045 -11.725 -0.282 1.00 0.00 O ATOM 39 OD2 ASP A 3 -3.816 -13.777 -0.149 1.00 0.00 O ATOM 0 HA ASP A 3 -6.867 -11.246 -1.234 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -5.258 -11.233 0.860 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -5.947 -12.795 0.463 1.00 0.00 H new ATOM 44 N ILE A 4 -4.362 -9.453 -0.933 1.00 0.00 N ATOM 45 CA ILE A 4 -3.849 -8.079 -1.273 1.00 0.00 C ATOM 46 C ILE A 4 -3.507 -7.900 -2.763 1.00 0.00 C ATOM 47 O ILE A 4 -3.715 -6.866 -3.366 1.00 0.00 O ATOM 48 CB ILE A 4 -2.588 -7.744 -0.370 1.00 0.00 C ATOM 49 CG1 ILE A 4 -2.049 -6.334 -0.775 1.00 0.00 C ATOM 50 CG2 ILE A 4 -1.443 -8.787 -0.466 1.00 0.00 C ATOM 51 CD1 ILE A 4 -0.875 -5.898 0.139 1.00 0.00 C ATOM 0 H ILE A 4 -3.926 -9.880 -0.115 1.00 0.00 H new ATOM 0 HA ILE A 4 -4.658 -7.379 -1.066 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.924 -7.766 0.667 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -1.717 -6.353 -1.813 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -2.854 -5.602 -0.711 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -0.620 -8.484 0.181 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -1.812 -9.763 -0.150 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.092 -8.848 -1.496 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -0.522 -4.913 -0.167 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -1.216 -5.855 1.174 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -0.061 -6.618 0.054 1.00 0.00 H new ATOM 63 N CYS A 5 -3.005 -8.954 -3.329 1.00 0.00 N ATOM 64 CA CYS A 5 -2.604 -8.970 -4.779 1.00 0.00 C ATOM 65 C CYS A 5 -3.796 -8.777 -5.757 1.00 0.00 C ATOM 66 O CYS A 5 -3.638 -8.629 -6.954 1.00 0.00 O ATOM 67 CB CYS A 5 -1.899 -10.307 -5.006 1.00 0.00 C ATOM 68 SG CYS A 5 -0.346 -10.617 -4.134 1.00 0.00 S ATOM 0 H CYS A 5 -2.847 -9.836 -2.842 1.00 0.00 H new ATOM 0 HA CYS A 5 -1.950 -8.124 -4.991 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -2.596 -11.100 -4.736 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -1.705 -10.403 -6.074 1.00 0.00 H new ATOM 73 N LYS A 6 -4.973 -8.793 -5.202 1.00 0.00 N ATOM 74 CA LYS A 6 -6.245 -8.623 -5.952 1.00 0.00 C ATOM 75 C LYS A 6 -6.942 -7.270 -5.581 1.00 0.00 C ATOM 76 O LYS A 6 -8.035 -6.994 -6.043 1.00 0.00 O ATOM 77 CB LYS A 6 -7.041 -9.938 -5.587 1.00 0.00 C ATOM 78 CG LYS A 6 -8.528 -9.636 -5.365 1.00 0.00 C ATOM 79 CD LYS A 6 -9.343 -10.920 -5.010 1.00 0.00 C ATOM 80 CE LYS A 6 -9.271 -11.992 -6.091 1.00 0.00 C ATOM 81 NZ LYS A 6 -9.858 -11.374 -7.322 1.00 0.00 N ATOM 0 H LYS A 6 -5.109 -8.925 -4.200 1.00 0.00 H new ATOM 0 HA LYS A 6 -6.142 -8.531 -7.033 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -6.930 -10.669 -6.388 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -6.619 -10.385 -4.687 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.633 -8.907 -4.561 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -8.943 -9.181 -6.264 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -8.970 -11.332 -4.073 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -10.386 -10.648 -4.846 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -8.241 -12.304 -6.264 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -9.828 -12.881 -5.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -10.119 -12.122 -7.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -10.705 -10.828 -7.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -9.158 -10.742 -7.760 1.00 0.00 H new ATOM 95 N LEU A 7 -6.298 -6.464 -4.778 1.00 0.00 N ATOM 96 CA LEU A 7 -6.873 -5.159 -4.366 1.00 0.00 C ATOM 97 C LEU A 7 -6.232 -3.976 -5.140 1.00 0.00 C ATOM 98 O LEU A 7 -5.061 -3.999 -5.465 1.00 0.00 O ATOM 99 CB LEU A 7 -6.653 -5.003 -2.832 1.00 0.00 C ATOM 100 CG LEU A 7 -7.151 -6.228 -2.046 1.00 0.00 C ATOM 101 CD1 LEU A 7 -6.991 -5.930 -0.559 1.00 0.00 C ATOM 102 CD2 LEU A 7 -8.643 -6.455 -2.299 1.00 0.00 C ATOM 0 H LEU A 7 -5.378 -6.664 -4.385 1.00 0.00 H new ATOM 0 HA LEU A 7 -7.937 -5.140 -4.602 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.592 -4.852 -2.632 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.173 -4.112 -2.481 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.583 -7.105 -2.357 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.338 -6.784 0.023 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.941 -5.742 -0.337 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.580 -5.051 -0.299 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.979 -7.325 -1.736 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.204 -5.577 -1.979 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.810 -6.625 -3.363 1.00 0.00 H new ATOM 114 N PRO A 8 -6.998 -2.954 -5.416 1.00 0.00 N ATOM 115 CA PRO A 8 -6.690 -2.019 -6.524 1.00 0.00 C ATOM 116 C PRO A 8 -5.953 -0.715 -6.148 1.00 0.00 C ATOM 117 O PRO A 8 -5.336 -0.526 -5.122 1.00 0.00 O ATOM 118 CB PRO A 8 -8.110 -1.861 -7.132 1.00 0.00 C ATOM 119 CG PRO A 8 -9.087 -1.966 -5.906 1.00 0.00 C ATOM 120 CD PRO A 8 -8.266 -2.559 -4.737 1.00 0.00 C ATOM 0 HA PRO A 8 -5.938 -2.386 -7.223 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.217 -0.904 -7.642 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.314 -2.639 -7.868 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.485 -0.986 -5.642 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -9.939 -2.603 -6.143 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -8.095 -1.828 -3.947 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -8.766 -3.412 -4.279 1.00 0.00 H new ATOM 128 N LYS A 9 -6.063 0.154 -7.092 1.00 0.00 N ATOM 129 CA LYS A 9 -5.453 1.523 -7.005 1.00 0.00 C ATOM 130 C LYS A 9 -6.508 2.389 -6.243 1.00 0.00 C ATOM 131 O LYS A 9 -7.468 2.840 -6.841 1.00 0.00 O ATOM 132 CB LYS A 9 -5.165 1.944 -8.512 1.00 0.00 C ATOM 133 CG LYS A 9 -4.585 3.380 -8.696 1.00 0.00 C ATOM 134 CD LYS A 9 -5.621 4.500 -8.339 1.00 0.00 C ATOM 135 CE LYS A 9 -6.909 4.428 -9.193 1.00 0.00 C ATOM 136 NZ LYS A 9 -8.046 4.658 -8.277 1.00 0.00 N ATOM 0 H LYS A 9 -6.568 -0.020 -7.961 1.00 0.00 H new ATOM 0 HA LYS A 9 -4.512 1.621 -6.464 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -4.467 1.228 -8.946 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -6.093 1.868 -9.078 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.702 3.494 -8.068 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -4.260 3.507 -9.729 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -5.886 4.419 -7.285 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -5.155 5.476 -8.477 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -6.891 5.179 -9.982 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -6.996 3.456 -9.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -8.922 4.309 -8.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -7.881 4.151 -7.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -8.137 5.676 -8.085 1.00 0.00 H new ATOM 150 N ASP A 10 -6.300 2.582 -4.967 1.00 0.00 N ATOM 151 CA ASP A 10 -7.237 3.393 -4.102 1.00 0.00 C ATOM 152 C ASP A 10 -6.780 4.834 -3.617 1.00 0.00 C ATOM 153 O ASP A 10 -5.827 4.945 -2.860 1.00 0.00 O ATOM 154 CB ASP A 10 -7.558 2.538 -2.836 1.00 0.00 C ATOM 155 CG ASP A 10 -8.201 1.195 -3.039 1.00 0.00 C ATOM 156 OD1 ASP A 10 -8.328 0.713 -4.142 1.00 0.00 O ATOM 157 OD2 ASP A 10 -8.527 0.703 -1.974 1.00 0.00 O ATOM 0 H ASP A 10 -5.497 2.203 -4.465 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.082 3.606 -4.757 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.626 2.384 -2.292 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.210 3.127 -2.191 1.00 0.00 H new ATOM 162 N GLU A 11 -7.435 5.893 -4.032 1.00 0.00 N ATOM 163 CA GLU A 11 -7.030 7.284 -3.571 1.00 0.00 C ATOM 164 C GLU A 11 -7.996 7.870 -2.505 1.00 0.00 C ATOM 165 O GLU A 11 -7.599 8.012 -1.365 1.00 0.00 O ATOM 166 CB GLU A 11 -6.957 8.309 -4.831 1.00 0.00 C ATOM 167 CG GLU A 11 -8.169 8.212 -5.830 1.00 0.00 C ATOM 168 CD GLU A 11 -8.104 6.956 -6.631 1.00 0.00 C ATOM 169 OE1 GLU A 11 -7.200 6.842 -7.430 1.00 0.00 O ATOM 170 OE2 GLU A 11 -8.956 6.116 -6.437 1.00 0.00 O ATOM 0 H GLU A 11 -8.232 5.866 -4.668 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.046 7.176 -3.114 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.899 9.328 -4.449 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.035 8.122 -5.381 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -9.106 8.245 -5.274 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.164 9.074 -6.498 1.00 0.00 H new ATOM 177 N GLY A 12 -9.208 8.199 -2.866 1.00 0.00 N ATOM 178 CA GLY A 12 -10.225 8.771 -1.899 1.00 0.00 C ATOM 179 C GLY A 12 -10.684 10.201 -2.208 1.00 0.00 C ATOM 180 O GLY A 12 -10.062 10.939 -2.943 1.00 0.00 O ATOM 0 H GLY A 12 -9.557 8.096 -3.819 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -11.099 8.120 -1.888 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.800 8.751 -0.895 1.00 0.00 H new ATOM 184 N THR A 13 -11.774 10.590 -1.624 1.00 0.00 N ATOM 185 CA THR A 13 -12.335 11.980 -1.844 1.00 0.00 C ATOM 186 C THR A 13 -11.832 12.829 -0.679 1.00 0.00 C ATOM 187 O THR A 13 -12.567 13.455 0.060 1.00 0.00 O ATOM 188 CB THR A 13 -13.867 11.936 -1.822 1.00 0.00 C ATOM 189 OG1 THR A 13 -14.146 11.245 -0.618 1.00 0.00 O ATOM 190 CG2 THR A 13 -14.421 10.942 -2.813 1.00 0.00 C ATOM 0 H THR A 13 -12.322 10.008 -0.990 1.00 0.00 H new ATOM 0 HA THR A 13 -12.023 12.387 -2.806 1.00 0.00 H new ATOM 0 HB THR A 13 -14.258 12.941 -1.983 1.00 0.00 H new ATOM 0 HG1 THR A 13 -15.116 11.163 -0.505 1.00 0.00 H new ATOM 0 HG21 THR A 13 -15.510 10.945 -2.762 1.00 0.00 H new ATOM 0 HG22 THR A 13 -14.104 11.216 -3.819 1.00 0.00 H new ATOM 0 HG23 THR A 13 -14.050 9.945 -2.575 1.00 0.00 H new ATOM 198 N CYS A 14 -10.536 12.800 -0.592 1.00 0.00 N ATOM 199 CA CYS A 14 -9.759 13.529 0.459 1.00 0.00 C ATOM 200 C CYS A 14 -8.979 14.756 -0.074 1.00 0.00 C ATOM 201 O CYS A 14 -9.200 15.255 -1.164 1.00 0.00 O ATOM 202 CB CYS A 14 -8.854 12.432 1.063 1.00 0.00 C ATOM 203 SG CYS A 14 -9.757 10.930 1.509 1.00 0.00 S ATOM 0 H CYS A 14 -9.949 12.274 -1.239 1.00 0.00 H new ATOM 0 HA CYS A 14 -10.407 13.989 1.204 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -8.073 12.179 0.346 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -8.358 12.827 1.950 1.00 0.00 H new ATOM 208 N ARG A 15 -8.074 15.255 0.712 1.00 0.00 N ATOM 209 CA ARG A 15 -7.263 16.452 0.266 1.00 0.00 C ATOM 210 C ARG A 15 -5.715 16.367 0.132 1.00 0.00 C ATOM 211 O ARG A 15 -5.173 16.985 -0.772 1.00 0.00 O ATOM 212 CB ARG A 15 -7.671 17.592 1.224 1.00 0.00 C ATOM 213 CG ARG A 15 -7.156 18.981 0.727 1.00 0.00 C ATOM 214 CD ARG A 15 -7.771 19.437 -0.628 1.00 0.00 C ATOM 215 NE ARG A 15 -7.165 18.584 -1.722 1.00 0.00 N ATOM 216 CZ ARG A 15 -7.756 18.307 -2.809 1.00 0.00 C ATOM 217 NH1 ARG A 15 -8.520 17.312 -2.917 1.00 0.00 N ATOM 218 NH2 ARG A 15 -7.525 19.084 -3.759 1.00 0.00 N ATOM 0 H ARG A 15 -7.850 14.900 1.641 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.510 16.588 -0.787 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -8.757 17.619 1.315 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -7.272 17.391 2.218 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -7.378 19.732 1.486 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -6.071 18.940 0.626 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -8.855 19.325 -0.612 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -7.562 20.492 -0.806 1.00 0.00 H new ATOM 0 HE ARG A 15 -6.227 18.211 -1.576 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -8.678 16.701 -2.116 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -8.981 17.117 -3.806 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -6.897 19.877 -3.628 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -7.965 18.926 -4.666 1.00 0.00 H new ATOM 232 N ASP A 16 -5.080 15.623 0.974 1.00 0.00 N ATOM 233 CA ASP A 16 -3.606 15.438 0.997 1.00 0.00 C ATOM 234 C ASP A 16 -3.193 14.168 0.177 1.00 0.00 C ATOM 235 O ASP A 16 -3.231 13.049 0.653 1.00 0.00 O ATOM 236 CB ASP A 16 -3.276 15.357 2.534 1.00 0.00 C ATOM 237 CG ASP A 16 -4.417 15.931 3.361 1.00 0.00 C ATOM 238 OD1 ASP A 16 -4.398 17.121 3.580 1.00 0.00 O ATOM 239 OD2 ASP A 16 -5.250 15.101 3.685 1.00 0.00 O ATOM 0 H ASP A 16 -5.558 15.094 1.704 1.00 0.00 H new ATOM 0 HA ASP A 16 -3.042 16.240 0.521 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -3.100 14.320 2.819 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -2.357 15.905 2.743 1.00 0.00 H new ATOM 244 N PHE A 17 -2.822 14.358 -1.062 1.00 0.00 N ATOM 245 CA PHE A 17 -2.409 13.171 -1.904 1.00 0.00 C ATOM 246 C PHE A 17 -0.881 12.993 -2.124 1.00 0.00 C ATOM 247 O PHE A 17 -0.114 13.927 -2.233 1.00 0.00 O ATOM 248 CB PHE A 17 -3.097 13.268 -3.295 1.00 0.00 C ATOM 249 CG PHE A 17 -4.622 13.242 -3.151 1.00 0.00 C ATOM 250 CD1 PHE A 17 -5.293 14.339 -2.665 1.00 0.00 C ATOM 251 CD2 PHE A 17 -5.346 12.121 -3.502 1.00 0.00 C ATOM 252 CE1 PHE A 17 -6.660 14.320 -2.532 1.00 0.00 C ATOM 253 CE2 PHE A 17 -6.719 12.101 -3.368 1.00 0.00 C ATOM 254 CZ PHE A 17 -7.378 13.202 -2.882 1.00 0.00 C ATOM 0 H PHE A 17 -2.784 15.263 -1.531 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.728 12.299 -1.333 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -2.790 14.187 -3.794 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.773 12.440 -3.925 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -4.740 15.224 -2.385 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.833 11.251 -3.885 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.174 15.190 -2.150 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.275 11.218 -3.646 1.00 0.00 H new ATOM 0 HZ PHE A 17 -8.453 13.190 -2.775 1.00 0.00 H new ATOM 264 N ILE A 18 -0.498 11.751 -2.187 1.00 0.00 N ATOM 265 CA ILE A 18 0.945 11.347 -2.398 1.00 0.00 C ATOM 266 C ILE A 18 1.068 10.244 -3.499 1.00 0.00 C ATOM 267 O ILE A 18 0.178 9.436 -3.687 1.00 0.00 O ATOM 268 CB ILE A 18 1.485 10.888 -0.986 1.00 0.00 C ATOM 269 CG1 ILE A 18 3.036 10.835 -0.973 1.00 0.00 C ATOM 270 CG2 ILE A 18 0.951 9.486 -0.636 1.00 0.00 C ATOM 271 CD1 ILE A 18 3.540 10.657 0.482 1.00 0.00 C ATOM 0 H ILE A 18 -1.138 10.962 -2.099 1.00 0.00 H new ATOM 0 HA ILE A 18 1.550 12.174 -2.771 1.00 0.00 H new ATOM 0 HB ILE A 18 1.139 11.616 -0.253 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.387 10.010 -1.593 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.444 11.751 -1.400 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.332 9.185 0.340 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.138 9.508 -0.609 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.281 8.772 -1.391 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.629 10.620 0.488 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.202 11.497 1.089 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.143 9.729 0.893 1.00 0.00 H new ATOM 283 N LEU A 19 2.169 10.220 -4.200 1.00 0.00 N ATOM 284 CA LEU A 19 2.420 9.221 -5.299 1.00 0.00 C ATOM 285 C LEU A 19 3.108 7.890 -4.806 1.00 0.00 C ATOM 286 O LEU A 19 4.314 7.837 -4.659 1.00 0.00 O ATOM 287 CB LEU A 19 3.286 10.046 -6.348 1.00 0.00 C ATOM 288 CG LEU A 19 2.769 10.047 -7.829 1.00 0.00 C ATOM 289 CD1 LEU A 19 3.823 10.681 -8.736 1.00 0.00 C ATOM 290 CD2 LEU A 19 2.508 8.650 -8.377 1.00 0.00 C ATOM 0 H LEU A 19 2.938 10.874 -4.056 1.00 0.00 H new ATOM 0 HA LEU A 19 1.497 8.838 -5.733 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.345 11.079 -6.006 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.301 9.649 -6.340 1.00 0.00 H new ATOM 0 HG LEU A 19 1.832 10.603 -7.819 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.464 10.682 -9.765 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.010 11.706 -8.416 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.748 10.108 -8.675 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.153 8.723 -9.405 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.431 8.071 -8.352 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.753 8.155 -7.766 1.00 0.00 H new ATOM 302 N LYS A 20 2.371 6.831 -4.608 1.00 0.00 N ATOM 303 CA LYS A 20 2.959 5.518 -4.107 1.00 0.00 C ATOM 304 C LYS A 20 3.079 4.481 -5.269 1.00 0.00 C ATOM 305 O LYS A 20 2.783 4.826 -6.391 1.00 0.00 O ATOM 306 CB LYS A 20 2.001 5.023 -2.924 1.00 0.00 C ATOM 307 CG LYS A 20 2.160 5.867 -1.578 1.00 0.00 C ATOM 308 CD LYS A 20 3.346 5.388 -0.604 1.00 0.00 C ATOM 309 CE LYS A 20 3.016 4.067 0.167 1.00 0.00 C ATOM 310 NZ LYS A 20 4.216 3.575 0.963 1.00 0.00 N ATOM 0 H LYS A 20 1.364 6.803 -4.771 1.00 0.00 H new ATOM 0 HA LYS A 20 3.975 5.643 -3.733 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.965 5.080 -3.259 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.211 3.974 -2.713 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.327 6.911 -1.841 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.220 5.823 -1.028 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.253 5.241 -1.191 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.557 6.178 0.116 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.176 4.237 0.840 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.707 3.298 -0.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.299 2.543 0.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.080 4.028 0.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.090 3.817 1.966 1.00 0.00 H new ATOM 324 N TRP A 21 3.505 3.275 -5.010 1.00 0.00 N ATOM 325 CA TRP A 21 3.660 2.189 -6.037 1.00 0.00 C ATOM 326 C TRP A 21 2.599 1.131 -5.676 1.00 0.00 C ATOM 327 O TRP A 21 2.469 0.812 -4.516 1.00 0.00 O ATOM 328 CB TRP A 21 5.076 1.520 -5.954 1.00 0.00 C ATOM 329 CG TRP A 21 6.219 2.451 -6.369 1.00 0.00 C ATOM 330 CD1 TRP A 21 6.784 3.401 -5.582 1.00 0.00 C ATOM 331 CD2 TRP A 21 6.813 2.467 -7.580 1.00 0.00 C ATOM 332 NE1 TRP A 21 7.696 3.945 -6.374 1.00 0.00 N ATOM 333 CE2 TRP A 21 7.793 3.450 -7.593 1.00 0.00 C ATOM 334 CE3 TRP A 21 6.601 1.689 -8.719 1.00 0.00 C ATOM 335 CZ2 TRP A 21 8.566 3.671 -8.717 1.00 0.00 C ATOM 336 CZ3 TRP A 21 7.374 1.902 -9.858 1.00 0.00 C ATOM 337 CH2 TRP A 21 8.360 2.892 -9.861 1.00 0.00 C ATOM 0 H TRP A 21 3.769 2.977 -4.071 1.00 0.00 H new ATOM 0 HA TRP A 21 3.545 2.593 -7.043 1.00 0.00 H new ATOM 0 HB2 TRP A 21 5.248 1.179 -4.933 1.00 0.00 H new ATOM 0 HB3 TRP A 21 5.089 0.636 -6.591 1.00 0.00 H new ATOM 0 HD1 TRP A 21 6.548 3.653 -4.559 1.00 0.00 H new ATOM 0 HE1 TRP A 21 8.293 4.709 -6.057 1.00 0.00 H new ATOM 0 HE3 TRP A 21 5.839 0.923 -8.717 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 9.324 4.440 -8.712 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 7.211 1.301 -10.740 1.00 0.00 H new ATOM 0 HH2 TRP A 21 8.961 3.055 -10.743 1.00 0.00 H new ATOM 348 N TYR A 22 1.876 0.617 -6.610 1.00 0.00 N ATOM 349 CA TYR A 22 0.845 -0.409 -6.302 1.00 0.00 C ATOM 350 C TYR A 22 1.117 -1.586 -7.275 1.00 0.00 C ATOM 351 O TYR A 22 1.534 -1.346 -8.396 1.00 0.00 O ATOM 352 CB TYR A 22 -0.535 0.296 -6.514 1.00 0.00 C ATOM 353 CG TYR A 22 -1.233 -0.116 -7.820 1.00 0.00 C ATOM 354 CD1 TYR A 22 -0.804 0.279 -9.079 1.00 0.00 C ATOM 355 CD2 TYR A 22 -2.331 -0.930 -7.711 1.00 0.00 C ATOM 356 CE1 TYR A 22 -1.494 -0.160 -10.210 1.00 0.00 C ATOM 357 CE2 TYR A 22 -3.004 -1.357 -8.837 1.00 0.00 C ATOM 358 CZ TYR A 22 -2.595 -0.976 -10.078 1.00 0.00 C ATOM 359 OH TYR A 22 -3.334 -1.408 -11.153 1.00 0.00 O ATOM 0 H TYR A 22 1.951 0.864 -7.597 1.00 0.00 H new ATOM 0 HA TYR A 22 0.859 -0.808 -5.288 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.187 0.063 -5.672 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -0.387 1.376 -6.514 1.00 0.00 H new ATOM 0 HD1 TYR A 22 0.058 0.922 -9.183 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -2.672 -1.240 -6.734 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.163 0.142 -11.193 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -3.865 -2.001 -8.733 1.00 0.00 H new ATOM 0 HH TYR A 22 -2.734 -1.768 -11.839 1.00 0.00 H new ATOM 369 N TYR A 23 0.889 -2.783 -6.832 1.00 0.00 N ATOM 370 CA TYR A 23 1.100 -3.993 -7.668 1.00 0.00 C ATOM 371 C TYR A 23 -0.104 -4.209 -8.619 1.00 0.00 C ATOM 372 O TYR A 23 -1.241 -4.247 -8.187 1.00 0.00 O ATOM 373 CB TYR A 23 1.262 -5.180 -6.708 1.00 0.00 C ATOM 374 CG TYR A 23 1.425 -6.449 -7.568 1.00 0.00 C ATOM 375 CD1 TYR A 23 2.554 -6.668 -8.330 1.00 0.00 C ATOM 376 CD2 TYR A 23 0.408 -7.378 -7.613 1.00 0.00 C ATOM 377 CE1 TYR A 23 2.652 -7.797 -9.128 1.00 0.00 C ATOM 378 CE2 TYR A 23 0.515 -8.502 -8.413 1.00 0.00 C ATOM 379 CZ TYR A 23 1.630 -8.715 -9.173 1.00 0.00 C ATOM 380 OH TYR A 23 1.676 -9.833 -9.976 1.00 0.00 O ATOM 0 H TYR A 23 0.552 -2.982 -5.890 1.00 0.00 H new ATOM 0 HA TYR A 23 1.986 -3.886 -8.294 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.131 -5.038 -6.065 1.00 0.00 H new ATOM 0 HB3 TYR A 23 0.393 -5.267 -6.056 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.366 -5.956 -8.305 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -0.481 -7.227 -7.018 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.541 -7.957 -9.721 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -0.292 -9.219 -8.437 1.00 0.00 H new ATOM 0 HH TYR A 23 1.183 -10.564 -9.548 1.00 0.00 H new ATOM 390 N ASP A 24 0.212 -4.352 -9.868 1.00 0.00 N ATOM 391 CA ASP A 24 -0.778 -4.569 -10.947 1.00 0.00 C ATOM 392 C ASP A 24 -0.706 -6.066 -11.457 1.00 0.00 C ATOM 393 O ASP A 24 0.052 -6.406 -12.351 1.00 0.00 O ATOM 394 CB ASP A 24 -0.392 -3.488 -11.957 1.00 0.00 C ATOM 395 CG ASP A 24 -1.293 -3.515 -13.162 1.00 0.00 C ATOM 396 OD1 ASP A 24 -1.277 -4.528 -13.825 1.00 0.00 O ATOM 397 OD2 ASP A 24 -1.949 -2.523 -13.354 1.00 0.00 O ATOM 0 H ASP A 24 1.176 -4.325 -10.202 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.828 -4.469 -10.671 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.446 -2.508 -11.482 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.642 -3.633 -12.271 1.00 0.00 H new ATOM 402 N PRO A 25 -1.484 -6.958 -10.875 1.00 0.00 N ATOM 403 CA PRO A 25 -1.585 -8.376 -11.361 1.00 0.00 C ATOM 404 C PRO A 25 -1.681 -8.585 -12.897 1.00 0.00 C ATOM 405 O PRO A 25 -1.398 -9.672 -13.363 1.00 0.00 O ATOM 406 CB PRO A 25 -2.801 -8.919 -10.558 1.00 0.00 C ATOM 407 CG PRO A 25 -3.538 -7.635 -10.085 1.00 0.00 C ATOM 408 CD PRO A 25 -2.379 -6.715 -9.705 1.00 0.00 C ATOM 0 HA PRO A 25 -0.660 -8.924 -11.183 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -3.444 -9.543 -11.179 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.482 -9.531 -9.714 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -4.155 -7.206 -10.875 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -4.195 -7.832 -9.238 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -2.682 -5.672 -9.618 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -1.916 -6.992 -8.758 1.00 0.00 H new ATOM 416 N ASN A 26 -2.046 -7.549 -13.605 1.00 0.00 N ATOM 417 CA ASN A 26 -2.205 -7.549 -15.104 1.00 0.00 C ATOM 418 C ASN A 26 -0.831 -7.424 -15.820 1.00 0.00 C ATOM 419 O ASN A 26 -0.533 -8.146 -16.748 1.00 0.00 O ATOM 420 CB ASN A 26 -3.202 -6.367 -15.373 1.00 0.00 C ATOM 421 CG ASN A 26 -2.867 -5.574 -16.612 1.00 0.00 C ATOM 422 OD1 ASN A 26 -3.115 -5.963 -17.727 1.00 0.00 O ATOM 423 ND2 ASN A 26 -2.291 -4.438 -16.486 1.00 0.00 N ATOM 0 H ASN A 26 -2.254 -6.644 -13.182 1.00 0.00 H new ATOM 0 HA ASN A 26 -2.601 -8.480 -15.509 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -4.212 -6.767 -15.468 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -3.203 -5.699 -14.512 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.056 -3.891 -17.314 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.067 -4.080 -15.558 1.00 0.00 H new ATOM 430 N THR A 27 -0.020 -6.523 -15.357 1.00 0.00 N ATOM 431 CA THR A 27 1.352 -6.316 -15.977 1.00 0.00 C ATOM 432 C THR A 27 2.365 -7.154 -15.196 1.00 0.00 C ATOM 433 O THR A 27 3.433 -7.474 -15.671 1.00 0.00 O ATOM 434 CB THR A 27 1.751 -4.830 -15.902 1.00 0.00 C ATOM 435 OG1 THR A 27 3.027 -4.764 -16.518 1.00 0.00 O ATOM 436 CG2 THR A 27 2.150 -4.389 -14.516 1.00 0.00 C ATOM 0 H THR A 27 -0.231 -5.907 -14.572 1.00 0.00 H new ATOM 0 HA THR A 27 1.332 -6.619 -17.024 1.00 0.00 H new ATOM 0 HB THR A 27 0.917 -4.254 -16.304 1.00 0.00 H new ATOM 0 HG1 THR A 27 3.347 -3.838 -16.508 1.00 0.00 H new ATOM 0 HG21 THR A 27 2.419 -3.333 -14.534 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.315 -4.539 -13.832 1.00 0.00 H new ATOM 0 HG23 THR A 27 3.005 -4.976 -14.180 1.00 0.00 H new ATOM 444 N LYS A 28 1.968 -7.452 -13.994 1.00 0.00 N ATOM 445 CA LYS A 28 2.688 -8.267 -12.974 1.00 0.00 C ATOM 446 C LYS A 28 3.905 -7.712 -12.231 1.00 0.00 C ATOM 447 O LYS A 28 4.811 -8.421 -11.857 1.00 0.00 O ATOM 448 CB LYS A 28 3.015 -9.628 -13.692 1.00 0.00 C ATOM 449 CG LYS A 28 1.686 -10.178 -14.298 1.00 0.00 C ATOM 450 CD LYS A 28 1.624 -11.748 -14.174 1.00 0.00 C ATOM 451 CE LYS A 28 1.579 -12.167 -12.705 1.00 0.00 C ATOM 452 NZ LYS A 28 0.426 -11.475 -12.070 1.00 0.00 N ATOM 0 H LYS A 28 1.069 -7.122 -13.643 1.00 0.00 H new ATOM 0 HA LYS A 28 2.011 -8.325 -12.122 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.759 -9.478 -14.475 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.437 -10.342 -12.984 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.834 -9.734 -13.783 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.611 -9.888 -15.346 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.743 -12.125 -14.693 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.494 -12.192 -14.658 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.470 -13.248 -12.619 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.509 -11.900 -12.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.775 -10.799 -11.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.117 -10.966 -12.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.188 -12.176 -11.607 1.00 0.00 H new ATOM 466 N SER A 29 3.876 -6.434 -12.056 1.00 0.00 N ATOM 467 CA SER A 29 4.951 -5.684 -11.337 1.00 0.00 C ATOM 468 C SER A 29 4.199 -4.515 -10.640 1.00 0.00 C ATOM 469 O SER A 29 3.019 -4.635 -10.362 1.00 0.00 O ATOM 470 CB SER A 29 5.989 -5.183 -12.353 1.00 0.00 C ATOM 471 OG SER A 29 6.946 -4.471 -11.566 1.00 0.00 O ATOM 0 H SER A 29 3.118 -5.841 -12.395 1.00 0.00 H new ATOM 0 HA SER A 29 5.501 -6.285 -10.613 1.00 0.00 H new ATOM 0 HB2 SER A 29 6.453 -6.012 -12.888 1.00 0.00 H new ATOM 0 HB3 SER A 29 5.531 -4.537 -13.102 1.00 0.00 H new ATOM 0 HG SER A 29 7.381 -5.089 -10.942 1.00 0.00 H new ATOM 477 N CYS A 30 4.828 -3.407 -10.388 1.00 0.00 N ATOM 478 CA CYS A 30 4.146 -2.251 -9.716 1.00 0.00 C ATOM 479 C CYS A 30 4.234 -0.932 -10.526 1.00 0.00 C ATOM 480 O CYS A 30 5.202 -0.636 -11.199 1.00 0.00 O ATOM 481 CB CYS A 30 4.791 -2.164 -8.321 1.00 0.00 C ATOM 482 SG CYS A 30 4.493 -3.617 -7.288 1.00 0.00 S ATOM 0 H CYS A 30 5.807 -3.242 -10.621 1.00 0.00 H new ATOM 0 HA CYS A 30 3.070 -2.410 -9.642 1.00 0.00 H new ATOM 0 HB2 CYS A 30 5.866 -2.026 -8.436 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.409 -1.281 -7.809 1.00 0.00 H new ATOM 487 N ALA A 31 3.207 -0.146 -10.433 1.00 0.00 N ATOM 488 CA ALA A 31 3.117 1.154 -11.145 1.00 0.00 C ATOM 489 C ALA A 31 2.872 2.186 -10.047 1.00 0.00 C ATOM 490 O ALA A 31 2.595 1.831 -8.924 1.00 0.00 O ATOM 491 CB ALA A 31 1.956 1.035 -12.148 1.00 0.00 C ATOM 0 H ALA A 31 2.387 -0.362 -9.866 1.00 0.00 H new ATOM 0 HA ALA A 31 4.003 1.441 -11.712 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.852 1.971 -12.697 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.161 0.225 -12.848 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.031 0.824 -11.611 1.00 0.00 H new ATOM 497 N ARG A 32 2.950 3.427 -10.365 1.00 0.00 N ATOM 498 CA ARG A 32 2.738 4.486 -9.353 1.00 0.00 C ATOM 499 C ARG A 32 1.378 5.205 -9.408 1.00 0.00 C ATOM 500 O ARG A 32 0.837 5.409 -10.475 1.00 0.00 O ATOM 501 CB ARG A 32 3.896 5.414 -9.575 1.00 0.00 C ATOM 502 CG ARG A 32 5.205 4.634 -9.514 1.00 0.00 C ATOM 503 CD ARG A 32 6.315 5.615 -9.811 1.00 0.00 C ATOM 504 NE ARG A 32 6.552 6.562 -8.653 1.00 0.00 N ATOM 505 CZ ARG A 32 5.881 6.660 -7.572 1.00 0.00 C ATOM 506 NH1 ARG A 32 5.650 5.663 -6.867 1.00 0.00 N ATOM 507 NH2 ARG A 32 5.458 7.782 -7.222 1.00 0.00 N ATOM 0 H ARG A 32 3.156 3.768 -11.304 1.00 0.00 H new ATOM 0 HA ARG A 32 2.702 4.059 -8.351 1.00 0.00 H new ATOM 0 HB2 ARG A 32 3.800 5.905 -10.544 1.00 0.00 H new ATOM 0 HB3 ARG A 32 3.895 6.199 -8.819 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.341 4.184 -8.531 1.00 0.00 H new ATOM 0 HG3 ARG A 32 5.204 3.821 -10.240 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.233 5.070 -10.029 1.00 0.00 H new ATOM 0 HD3 ARG A 32 6.065 6.188 -10.704 1.00 0.00 H new ATOM 0 HE ARG A 32 7.343 7.198 -8.749 1.00 0.00 H new ATOM 0 HH11 ARG A 32 5.999 4.747 -7.149 1.00 0.00 H new ATOM 0 HH12 ARG A 32 5.112 5.761 -6.006 1.00 0.00 H new ATOM 0 HH21 ARG A 32 5.651 8.602 -7.797 1.00 0.00 H new ATOM 0 HH22 ARG A 32 4.920 7.878 -6.361 1.00 0.00 H new ATOM 521 N PHE A 33 0.848 5.580 -8.276 1.00 0.00 N ATOM 522 CA PHE A 33 -0.475 6.281 -8.310 1.00 0.00 C ATOM 523 C PHE A 33 -0.609 7.349 -7.197 1.00 0.00 C ATOM 524 O PHE A 33 0.068 7.298 -6.187 1.00 0.00 O ATOM 525 CB PHE A 33 -1.561 5.147 -8.233 1.00 0.00 C ATOM 526 CG PHE A 33 -1.800 4.612 -6.824 1.00 0.00 C ATOM 527 CD1 PHE A 33 -0.892 3.786 -6.202 1.00 0.00 C ATOM 528 CD2 PHE A 33 -2.964 4.947 -6.171 1.00 0.00 C ATOM 529 CE1 PHE A 33 -1.152 3.297 -4.936 1.00 0.00 C ATOM 530 CE2 PHE A 33 -3.229 4.464 -4.912 1.00 0.00 C ATOM 531 CZ PHE A 33 -2.323 3.638 -4.294 1.00 0.00 C ATOM 0 H PHE A 33 1.256 5.439 -7.352 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.598 6.860 -9.226 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.501 5.531 -8.629 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.257 4.322 -8.877 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.026 3.519 -6.704 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.678 5.598 -6.654 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.438 2.648 -4.450 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -4.147 4.733 -4.410 1.00 0.00 H new ATOM 0 HZ PHE A 33 -2.528 3.256 -3.305 1.00 0.00 H new ATOM 541 N TRP A 34 -1.491 8.272 -7.429 1.00 0.00 N ATOM 542 CA TRP A 34 -1.775 9.403 -6.479 1.00 0.00 C ATOM 543 C TRP A 34 -2.820 8.986 -5.409 1.00 0.00 C ATOM 544 O TRP A 34 -3.995 9.042 -5.698 1.00 0.00 O ATOM 545 CB TRP A 34 -2.331 10.616 -7.322 1.00 0.00 C ATOM 546 CG TRP A 34 -1.311 11.612 -7.854 1.00 0.00 C ATOM 547 CD1 TRP A 34 -1.317 11.930 -9.154 1.00 0.00 C ATOM 548 CD2 TRP A 34 -0.366 12.329 -7.203 1.00 0.00 C ATOM 549 NE1 TRP A 34 -0.365 12.841 -9.253 1.00 0.00 N ATOM 550 CE2 TRP A 34 0.265 13.154 -8.136 1.00 0.00 C ATOM 551 CE3 TRP A 34 0.033 12.391 -5.865 1.00 0.00 C ATOM 552 CZ2 TRP A 34 1.274 14.030 -7.757 1.00 0.00 C ATOM 553 CZ3 TRP A 34 1.046 13.274 -5.481 1.00 0.00 C ATOM 554 CH2 TRP A 34 1.667 14.091 -6.421 1.00 0.00 C ATOM 0 H TRP A 34 -2.059 8.298 -8.276 1.00 0.00 H new ATOM 0 HA TRP A 34 -0.859 9.679 -5.957 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -2.886 10.214 -8.170 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -3.045 11.160 -6.703 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -1.949 11.536 -9.936 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -0.130 13.278 -10.144 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -0.441 11.758 -5.129 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 1.751 14.660 -8.493 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 1.350 13.323 -4.446 1.00 0.00 H new ATOM 0 HH2 TRP A 34 2.450 14.770 -6.117 1.00 0.00 H new ATOM 565 N TYR A 35 -2.437 8.592 -4.225 1.00 0.00 N ATOM 566 CA TYR A 35 -3.488 8.196 -3.225 1.00 0.00 C ATOM 567 C TYR A 35 -3.722 9.337 -2.213 1.00 0.00 C ATOM 568 O TYR A 35 -2.863 10.183 -2.048 1.00 0.00 O ATOM 569 CB TYR A 35 -2.997 6.871 -2.547 1.00 0.00 C ATOM 570 CG TYR A 35 -2.711 6.985 -1.037 1.00 0.00 C ATOM 571 CD1 TYR A 35 -3.725 6.796 -0.119 1.00 0.00 C ATOM 572 CD2 TYR A 35 -1.443 7.257 -0.568 1.00 0.00 C ATOM 573 CE1 TYR A 35 -3.468 6.871 1.233 1.00 0.00 C ATOM 574 CE2 TYR A 35 -1.202 7.328 0.795 1.00 0.00 C ATOM 575 CZ TYR A 35 -2.214 7.135 1.694 1.00 0.00 C ATOM 576 OH TYR A 35 -1.968 7.184 3.044 1.00 0.00 O ATOM 0 H TYR A 35 -1.471 8.525 -3.906 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.453 8.019 -3.700 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -3.751 6.099 -2.702 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -2.090 6.537 -3.050 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -4.727 6.588 -0.463 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -0.634 7.415 -1.266 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -4.273 6.718 1.937 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -0.204 7.538 1.151 1.00 0.00 H new ATOM 0 HH TYR A 35 -2.752 7.546 3.507 1.00 0.00 H new ATOM 586 N GLY A 36 -4.856 9.327 -1.567 1.00 0.00 N ATOM 587 CA GLY A 36 -5.195 10.395 -0.559 1.00 0.00 C ATOM 588 C GLY A 36 -5.040 9.889 0.865 1.00 0.00 C ATOM 589 O GLY A 36 -5.605 8.879 1.234 1.00 0.00 O ATOM 0 H GLY A 36 -5.578 8.617 -1.691 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.548 11.259 -0.711 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.219 10.733 -0.716 1.00 0.00 H new ATOM 593 N GLY A 37 -4.265 10.620 1.626 1.00 0.00 N ATOM 594 CA GLY A 37 -3.970 10.301 3.078 1.00 0.00 C ATOM 595 C GLY A 37 -4.888 9.254 3.696 1.00 0.00 C ATOM 596 O GLY A 37 -4.403 8.220 4.105 1.00 0.00 O ATOM 0 H GLY A 37 -3.800 11.465 1.294 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.940 9.955 3.158 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.044 11.219 3.660 1.00 0.00 H new ATOM 600 N CYS A 38 -6.152 9.594 3.723 1.00 0.00 N ATOM 601 CA CYS A 38 -7.267 8.734 4.270 1.00 0.00 C ATOM 602 C CYS A 38 -6.946 7.222 4.358 1.00 0.00 C ATOM 603 O CYS A 38 -7.236 6.566 5.340 1.00 0.00 O ATOM 604 CB CYS A 38 -8.501 8.977 3.378 1.00 0.00 C ATOM 605 SG CYS A 38 -9.334 10.583 3.449 1.00 0.00 S ATOM 0 H CYS A 38 -6.482 10.490 3.366 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.437 9.027 5.306 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -8.198 8.809 2.345 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -9.239 8.213 3.622 1.00 0.00 H new ATOM 610 N GLY A 39 -6.357 6.712 3.308 1.00 0.00 N ATOM 611 CA GLY A 39 -5.985 5.247 3.282 1.00 0.00 C ATOM 612 C GLY A 39 -6.099 4.407 2.007 1.00 0.00 C ATOM 613 O GLY A 39 -5.211 4.441 1.182 1.00 0.00 O ATOM 0 H GLY A 39 -6.114 7.235 2.467 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.948 5.179 3.612 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.594 4.754 4.040 1.00 0.00 H new ATOM 617 N GLY A 40 -7.154 3.658 1.835 1.00 0.00 N ATOM 618 CA GLY A 40 -7.303 2.787 0.586 1.00 0.00 C ATOM 619 C GLY A 40 -6.583 1.460 0.908 1.00 0.00 C ATOM 620 O GLY A 40 -5.615 1.523 1.640 1.00 0.00 O ATOM 0 H GLY A 40 -7.930 3.597 2.494 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.354 2.615 0.353 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.859 3.272 -0.283 1.00 0.00 H new ATOM 624 N ASN A 41 -7.003 0.346 0.388 1.00 0.00 N ATOM 625 CA ASN A 41 -6.348 -0.998 0.674 1.00 0.00 C ATOM 626 C ASN A 41 -4.774 -1.104 0.821 1.00 0.00 C ATOM 627 O ASN A 41 -4.015 -0.199 0.513 1.00 0.00 O ATOM 628 CB ASN A 41 -6.871 -1.941 -0.441 1.00 0.00 C ATOM 629 CG ASN A 41 -6.026 -1.797 -1.670 1.00 0.00 C ATOM 630 OD1 ASN A 41 -4.959 -2.344 -1.758 1.00 0.00 O ATOM 631 ND2 ASN A 41 -6.405 -1.086 -2.653 1.00 0.00 N ATOM 0 H ASN A 41 -7.799 0.289 -0.247 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.631 -1.259 1.694 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -6.851 -2.974 -0.094 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.909 -1.703 -0.673 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -5.810 -0.996 -3.477 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -7.304 -0.605 -2.618 1.00 0.00 H new ATOM 638 N GLU A 42 -4.354 -2.240 1.289 1.00 0.00 N ATOM 639 CA GLU A 42 -2.918 -2.614 1.536 1.00 0.00 C ATOM 640 C GLU A 42 -1.919 -2.460 0.345 1.00 0.00 C ATOM 641 O GLU A 42 -0.728 -2.299 0.536 1.00 0.00 O ATOM 642 CB GLU A 42 -2.939 -4.082 2.062 1.00 0.00 C ATOM 643 CG GLU A 42 -3.994 -4.262 3.230 1.00 0.00 C ATOM 644 CD GLU A 42 -5.397 -4.558 2.703 1.00 0.00 C ATOM 645 OE1 GLU A 42 -5.549 -5.662 2.226 1.00 0.00 O ATOM 646 OE2 GLU A 42 -6.219 -3.664 2.798 1.00 0.00 O ATOM 0 H GLU A 42 -4.999 -2.992 1.533 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.520 -1.894 2.251 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.181 -4.760 1.244 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -1.947 -4.356 2.420 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.675 -5.074 3.883 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.020 -3.357 3.836 1.00 0.00 H new ATOM 653 N ASN A 43 -2.404 -2.502 -0.862 1.00 0.00 N ATOM 654 CA ASN A 43 -1.557 -2.370 -2.109 1.00 0.00 C ATOM 655 C ASN A 43 -1.211 -0.878 -2.373 1.00 0.00 C ATOM 656 O ASN A 43 -1.615 -0.218 -3.310 1.00 0.00 O ATOM 657 CB ASN A 43 -2.410 -3.041 -3.199 1.00 0.00 C ATOM 658 CG ASN A 43 -1.634 -3.282 -4.464 1.00 0.00 C ATOM 659 OD1 ASN A 43 -0.430 -3.218 -4.500 1.00 0.00 O ATOM 660 ND2 ASN A 43 -2.256 -3.576 -5.548 1.00 0.00 N ATOM 0 H ASN A 43 -3.397 -2.628 -1.057 1.00 0.00 H new ATOM 0 HA ASN A 43 -0.579 -2.849 -2.049 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -2.793 -3.990 -2.824 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.273 -2.413 -3.419 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -1.732 -3.748 -6.406 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -3.274 -3.638 -5.551 1.00 0.00 H new ATOM 667 N LYS A 44 -0.432 -0.396 -1.452 1.00 0.00 N ATOM 668 CA LYS A 44 0.055 1.031 -1.447 1.00 0.00 C ATOM 669 C LYS A 44 1.536 1.231 -0.965 1.00 0.00 C ATOM 670 O LYS A 44 1.774 1.505 0.200 1.00 0.00 O ATOM 671 CB LYS A 44 -0.958 1.726 -0.560 1.00 0.00 C ATOM 672 CG LYS A 44 -0.890 3.244 -0.697 1.00 0.00 C ATOM 673 CD LYS A 44 -1.637 3.928 0.490 1.00 0.00 C ATOM 674 CE LYS A 44 -2.653 3.065 1.268 1.00 0.00 C ATOM 675 NZ LYS A 44 -3.668 2.558 0.311 1.00 0.00 N ATOM 0 H LYS A 44 -0.092 -0.947 -0.664 1.00 0.00 H new ATOM 0 HA LYS A 44 0.110 1.440 -2.456 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.960 1.383 -0.817 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.782 1.447 0.479 1.00 0.00 H new ATOM 0 HG2 LYS A 44 0.151 3.568 -0.716 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.337 3.551 -1.642 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.890 4.291 1.196 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -2.161 4.802 0.102 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.147 2.234 1.759 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.131 3.655 2.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.619 2.808 0.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.509 2.986 -0.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.588 1.524 0.236 1.00 0.00 H new ATOM 689 N PHE A 45 2.502 1.143 -1.832 1.00 0.00 N ATOM 690 CA PHE A 45 3.949 1.300 -1.436 1.00 0.00 C ATOM 691 C PHE A 45 4.737 2.611 -1.760 1.00 0.00 C ATOM 692 O PHE A 45 4.344 3.446 -2.534 1.00 0.00 O ATOM 693 CB PHE A 45 4.615 0.069 -2.063 1.00 0.00 C ATOM 694 CG PHE A 45 3.769 -1.151 -1.646 1.00 0.00 C ATOM 695 CD1 PHE A 45 3.812 -1.595 -0.348 1.00 0.00 C ATOM 696 CD2 PHE A 45 2.952 -1.811 -2.548 1.00 0.00 C ATOM 697 CE1 PHE A 45 3.062 -2.670 0.053 1.00 0.00 C ATOM 698 CE2 PHE A 45 2.195 -2.895 -2.150 1.00 0.00 C ATOM 699 CZ PHE A 45 2.256 -3.321 -0.844 1.00 0.00 C ATOM 0 H PHE A 45 2.357 0.965 -2.826 1.00 0.00 H new ATOM 0 HA PHE A 45 3.975 1.384 -0.350 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.654 0.160 -3.148 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.643 -0.035 -1.715 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.445 -1.091 0.367 1.00 0.00 H new ATOM 0 HD2 PHE A 45 2.906 -1.475 -3.573 1.00 0.00 H new ATOM 0 HE1 PHE A 45 3.106 -3.005 1.079 1.00 0.00 H new ATOM 0 HE2 PHE A 45 1.560 -3.405 -2.859 1.00 0.00 H new ATOM 0 HZ PHE A 45 1.668 -4.169 -0.525 1.00 0.00 H new ATOM 709 N GLY A 46 5.853 2.788 -1.137 1.00 0.00 N ATOM 710 CA GLY A 46 6.780 3.981 -1.308 1.00 0.00 C ATOM 711 C GLY A 46 7.738 3.745 -2.475 1.00 0.00 C ATOM 712 O GLY A 46 8.026 4.640 -3.243 1.00 0.00 O ATOM 0 H GLY A 46 6.206 2.113 -0.459 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.194 4.883 -1.486 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.346 4.145 -0.391 1.00 0.00 H new ATOM 716 N SER A 47 8.218 2.542 -2.597 1.00 0.00 N ATOM 717 CA SER A 47 9.163 2.169 -3.698 1.00 0.00 C ATOM 718 C SER A 47 8.726 0.921 -4.472 1.00 0.00 C ATOM 719 O SER A 47 8.201 0.007 -3.874 1.00 0.00 O ATOM 720 CB SER A 47 10.553 1.912 -3.102 1.00 0.00 C ATOM 721 OG SER A 47 10.354 0.825 -2.182 1.00 0.00 O ATOM 0 H SER A 47 7.991 1.775 -1.964 1.00 0.00 H new ATOM 0 HA SER A 47 9.174 3.002 -4.401 1.00 0.00 H new ATOM 0 HB2 SER A 47 11.275 1.650 -3.876 1.00 0.00 H new ATOM 0 HB3 SER A 47 10.937 2.797 -2.594 1.00 0.00 H new ATOM 0 HG SER A 47 10.164 1.182 -1.290 1.00 0.00 H new ATOM 727 N GLN A 48 8.936 0.881 -5.766 1.00 0.00 N ATOM 728 CA GLN A 48 8.531 -0.337 -6.577 1.00 0.00 C ATOM 729 C GLN A 48 8.901 -1.596 -5.754 1.00 0.00 C ATOM 730 O GLN A 48 8.123 -2.477 -5.485 1.00 0.00 O ATOM 731 CB GLN A 48 9.298 -0.302 -7.917 1.00 0.00 C ATOM 732 CG GLN A 48 8.690 -1.383 -8.891 1.00 0.00 C ATOM 733 CD GLN A 48 9.579 -1.588 -10.104 1.00 0.00 C ATOM 734 OE1 GLN A 48 10.148 -0.676 -10.659 1.00 0.00 O ATOM 735 NE2 GLN A 48 9.744 -2.765 -10.580 1.00 0.00 N ATOM 0 H GLN A 48 9.368 1.632 -6.305 1.00 0.00 H new ATOM 0 HA GLN A 48 7.462 -0.350 -6.788 1.00 0.00 H new ATOM 0 HB2 GLN A 48 9.227 0.689 -8.365 1.00 0.00 H new ATOM 0 HB3 GLN A 48 10.357 -0.501 -7.749 1.00 0.00 H new ATOM 0 HG2 GLN A 48 8.570 -2.328 -8.361 1.00 0.00 H new ATOM 0 HG3 GLN A 48 7.697 -1.069 -9.213 1.00 0.00 H new ATOM 0 HE21 GLN A 48 9.282 -3.562 -10.142 1.00 0.00 H new ATOM 0 HE22 GLN A 48 10.337 -2.906 -11.398 1.00 0.00 H new ATOM 744 N LYS A 49 10.140 -1.614 -5.358 1.00 0.00 N ATOM 745 CA LYS A 49 10.701 -2.736 -4.538 1.00 0.00 C ATOM 746 C LYS A 49 9.787 -3.174 -3.376 1.00 0.00 C ATOM 747 O LYS A 49 9.513 -4.338 -3.210 1.00 0.00 O ATOM 748 CB LYS A 49 12.092 -2.238 -4.024 1.00 0.00 C ATOM 749 CG LYS A 49 12.627 -3.132 -2.859 1.00 0.00 C ATOM 750 CD LYS A 49 13.704 -2.376 -2.005 1.00 0.00 C ATOM 751 CE LYS A 49 13.258 -0.997 -1.448 1.00 0.00 C ATOM 752 NZ LYS A 49 11.878 -1.116 -0.874 1.00 0.00 N ATOM 0 H LYS A 49 10.812 -0.878 -5.572 1.00 0.00 H new ATOM 0 HA LYS A 49 10.790 -3.633 -5.151 1.00 0.00 H new ATOM 0 HB2 LYS A 49 12.808 -2.243 -4.846 1.00 0.00 H new ATOM 0 HB3 LYS A 49 12.007 -1.206 -3.682 1.00 0.00 H new ATOM 0 HG2 LYS A 49 11.798 -3.432 -2.218 1.00 0.00 H new ATOM 0 HG3 LYS A 49 13.060 -4.045 -3.268 1.00 0.00 H new ATOM 0 HD2 LYS A 49 13.992 -3.012 -1.168 1.00 0.00 H new ATOM 0 HD3 LYS A 49 14.594 -2.232 -2.617 1.00 0.00 H new ATOM 0 HE2 LYS A 49 13.955 -0.659 -0.681 1.00 0.00 H new ATOM 0 HE3 LYS A 49 13.271 -0.250 -2.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 11.208 -0.590 -1.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.600 -2.118 -0.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 11.868 -0.723 0.089 1.00 0.00 H new ATOM 766 N GLU A 50 9.367 -2.227 -2.588 1.00 0.00 N ATOM 767 CA GLU A 50 8.465 -2.497 -1.418 1.00 0.00 C ATOM 768 C GLU A 50 7.267 -3.367 -1.915 1.00 0.00 C ATOM 769 O GLU A 50 6.957 -4.437 -1.419 1.00 0.00 O ATOM 770 CB GLU A 50 8.168 -1.099 -0.969 1.00 0.00 C ATOM 771 CG GLU A 50 7.286 -0.872 0.304 1.00 0.00 C ATOM 772 CD GLU A 50 6.997 0.625 0.450 1.00 0.00 C ATOM 773 OE1 GLU A 50 7.835 1.363 -0.050 1.00 0.00 O ATOM 774 OE2 GLU A 50 5.985 1.031 1.011 1.00 0.00 O ATOM 0 H GLU A 50 9.615 -1.245 -2.704 1.00 0.00 H new ATOM 0 HA GLU A 50 8.848 -3.081 -0.581 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.122 -0.600 -0.799 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.683 -0.585 -1.799 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.353 -1.429 0.220 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.801 -1.244 1.190 1.00 0.00 H new ATOM 781 N CYS A 51 6.665 -2.829 -2.935 1.00 0.00 N ATOM 782 CA CYS A 51 5.484 -3.464 -3.609 1.00 0.00 C ATOM 783 C CYS A 51 5.840 -4.871 -4.179 1.00 0.00 C ATOM 784 O CYS A 51 5.176 -5.863 -3.919 1.00 0.00 O ATOM 785 CB CYS A 51 5.059 -2.472 -4.698 1.00 0.00 C ATOM 786 SG CYS A 51 3.584 -2.844 -5.665 1.00 0.00 S ATOM 0 H CYS A 51 6.949 -1.941 -3.350 1.00 0.00 H new ATOM 0 HA CYS A 51 4.665 -3.650 -2.914 1.00 0.00 H new ATOM 0 HB2 CYS A 51 4.910 -1.502 -4.224 1.00 0.00 H new ATOM 0 HB3 CYS A 51 5.893 -2.363 -5.392 1.00 0.00 H new ATOM 791 N GLU A 52 6.905 -4.909 -4.942 1.00 0.00 N ATOM 792 CA GLU A 52 7.398 -6.181 -5.574 1.00 0.00 C ATOM 793 C GLU A 52 7.564 -7.201 -4.415 1.00 0.00 C ATOM 794 O GLU A 52 7.009 -8.278 -4.398 1.00 0.00 O ATOM 795 CB GLU A 52 8.733 -5.808 -6.294 1.00 0.00 C ATOM 796 CG GLU A 52 8.934 -6.674 -7.595 1.00 0.00 C ATOM 797 CD GLU A 52 8.152 -6.132 -8.795 1.00 0.00 C ATOM 798 OE1 GLU A 52 8.523 -5.073 -9.260 1.00 0.00 O ATOM 799 OE2 GLU A 52 7.225 -6.796 -9.206 1.00 0.00 O ATOM 0 H GLU A 52 7.471 -4.089 -5.161 1.00 0.00 H new ATOM 0 HA GLU A 52 6.734 -6.629 -6.313 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.726 -4.750 -6.555 1.00 0.00 H new ATOM 0 HB3 GLU A 52 9.572 -5.964 -5.616 1.00 0.00 H new ATOM 0 HG2 GLU A 52 9.995 -6.707 -7.843 1.00 0.00 H new ATOM 0 HG3 GLU A 52 8.621 -7.699 -7.396 1.00 0.00 H new ATOM 806 N LYS A 53 8.337 -6.830 -3.430 1.00 0.00 N ATOM 807 CA LYS A 53 8.582 -7.714 -2.246 1.00 0.00 C ATOM 808 C LYS A 53 7.223 -8.225 -1.714 1.00 0.00 C ATOM 809 O LYS A 53 7.036 -9.419 -1.567 1.00 0.00 O ATOM 810 CB LYS A 53 9.345 -6.877 -1.173 1.00 0.00 C ATOM 811 CG LYS A 53 9.998 -7.728 -0.013 1.00 0.00 C ATOM 812 CD LYS A 53 8.957 -8.632 0.747 1.00 0.00 C ATOM 813 CE LYS A 53 8.938 -10.063 0.173 1.00 0.00 C ATOM 814 NZ LYS A 53 7.594 -10.660 0.481 1.00 0.00 N ATOM 0 H LYS A 53 8.821 -5.933 -3.393 1.00 0.00 H new ATOM 0 HA LYS A 53 9.186 -8.583 -2.509 1.00 0.00 H new ATOM 0 HB2 LYS A 53 10.128 -6.303 -1.669 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.653 -6.159 -0.733 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.783 -8.359 -0.430 1.00 0.00 H new ATOM 0 HG3 LYS A 53 10.475 -7.055 0.700 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.207 -8.666 1.807 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.963 -8.192 0.667 1.00 0.00 H new ATOM 0 HE2 LYS A 53 9.112 -10.046 -0.903 1.00 0.00 H new ATOM 0 HE3 LYS A 53 9.734 -10.663 0.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.685 -11.692 0.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.234 -10.263 1.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.931 -10.438 -0.289 1.00 0.00 H new ATOM 828 N VAL A 54 6.307 -7.346 -1.414 1.00 0.00 N ATOM 829 CA VAL A 54 4.982 -7.811 -0.900 1.00 0.00 C ATOM 830 C VAL A 54 4.301 -8.871 -1.801 1.00 0.00 C ATOM 831 O VAL A 54 3.996 -9.936 -1.299 1.00 0.00 O ATOM 832 CB VAL A 54 4.120 -6.543 -0.728 1.00 0.00 C ATOM 833 CG1 VAL A 54 2.650 -6.946 -0.485 1.00 0.00 C ATOM 834 CG2 VAL A 54 4.578 -5.822 0.547 1.00 0.00 C ATOM 0 H VAL A 54 6.414 -6.335 -1.500 1.00 0.00 H new ATOM 0 HA VAL A 54 5.113 -8.333 0.048 1.00 0.00 H new ATOM 0 HB VAL A 54 4.217 -5.921 -1.618 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.042 -6.049 -0.364 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.284 -7.520 -1.337 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.584 -7.554 0.417 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.982 -4.921 0.690 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.449 -6.482 1.405 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.629 -5.550 0.454 1.00 0.00 H new ATOM 844 N CYS A 55 4.106 -8.556 -3.054 1.00 0.00 N ATOM 845 CA CYS A 55 3.442 -9.530 -4.006 1.00 0.00 C ATOM 846 C CYS A 55 4.278 -10.008 -5.242 1.00 0.00 C ATOM 847 O CYS A 55 4.326 -11.191 -5.517 1.00 0.00 O ATOM 848 CB CYS A 55 2.120 -8.869 -4.481 1.00 0.00 C ATOM 849 SG CYS A 55 1.044 -9.962 -5.443 1.00 0.00 S ATOM 0 H CYS A 55 4.375 -7.665 -3.472 1.00 0.00 H new ATOM 0 HA CYS A 55 3.297 -10.452 -3.443 1.00 0.00 H new ATOM 0 HB2 CYS A 55 1.571 -8.514 -3.609 1.00 0.00 H new ATOM 0 HB3 CYS A 55 2.361 -7.994 -5.084 1.00 0.00 H new ATOM 854 N ALA A 56 4.911 -9.076 -5.915 1.00 0.00 N ATOM 855 CA ALA A 56 5.761 -9.362 -7.153 1.00 0.00 C ATOM 856 C ALA A 56 4.962 -9.989 -8.354 1.00 0.00 C ATOM 857 O ALA A 56 3.782 -10.232 -8.234 1.00 0.00 O ATOM 858 CB ALA A 56 6.856 -10.273 -6.668 1.00 0.00 C ATOM 0 H ALA A 56 4.882 -8.089 -5.660 1.00 0.00 H new ATOM 0 HA ALA A 56 6.144 -8.432 -7.573 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.513 -10.527 -7.500 1.00 0.00 H new ATOM 0 HB2 ALA A 56 7.431 -9.769 -5.892 1.00 0.00 H new ATOM 0 HB3 ALA A 56 6.418 -11.184 -6.261 1.00 0.00 H new ATOM 864 N PRO A 57 5.596 -10.226 -9.486 1.00 0.00 N ATOM 865 CA PRO A 57 5.089 -11.136 -10.579 1.00 0.00 C ATOM 866 C PRO A 57 4.224 -12.421 -10.314 1.00 0.00 C ATOM 867 O PRO A 57 4.580 -13.504 -10.737 1.00 0.00 O ATOM 868 CB PRO A 57 6.420 -11.419 -11.380 1.00 0.00 C ATOM 869 CG PRO A 57 7.551 -10.887 -10.456 1.00 0.00 C ATOM 870 CD PRO A 57 6.914 -9.643 -9.864 1.00 0.00 C ATOM 0 HA PRO A 57 4.270 -10.622 -11.081 1.00 0.00 H new ATOM 0 HB2 PRO A 57 6.542 -12.483 -11.584 1.00 0.00 H new ATOM 0 HB3 PRO A 57 6.420 -10.908 -12.343 1.00 0.00 H new ATOM 0 HG2 PRO A 57 7.825 -11.610 -9.688 1.00 0.00 H new ATOM 0 HG3 PRO A 57 8.458 -10.655 -11.014 1.00 0.00 H new ATOM 0 HD2 PRO A 57 7.465 -9.252 -9.008 1.00 0.00 H new ATOM 0 HD3 PRO A 57 6.826 -8.830 -10.584 1.00 0.00 H new ATOM 878 N VAL A 58 3.117 -12.255 -9.654 1.00 0.00 N ATOM 879 CA VAL A 58 2.159 -13.366 -9.309 1.00 0.00 C ATOM 880 C VAL A 58 0.766 -13.036 -9.916 1.00 0.00 C ATOM 881 O VAL A 58 0.212 -11.994 -9.608 1.00 0.00 O ATOM 882 CB VAL A 58 2.079 -13.475 -7.762 1.00 0.00 C ATOM 883 CG1 VAL A 58 1.170 -14.651 -7.373 1.00 0.00 C ATOM 884 CG2 VAL A 58 3.469 -13.747 -7.172 1.00 0.00 C ATOM 885 OXT VAL A 58 0.272 -13.823 -10.702 1.00 0.00 O ATOM 0 H VAL A 58 2.811 -11.343 -9.315 1.00 0.00 H new ATOM 0 HA VAL A 58 2.497 -14.319 -9.717 1.00 0.00 H new ATOM 0 HB VAL A 58 1.685 -12.535 -7.376 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.116 -14.725 -6.287 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.171 -14.487 -7.776 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.578 -15.576 -7.780 1.00 0.00 H new ATOM 0 HG21 VAL A 58 3.396 -13.821 -6.087 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.858 -14.683 -7.574 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.142 -12.931 -7.436 1.00 0.00 H new