USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 487 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 24 MET CE :methyl -148:sc= -0.0611 (180deg=-2.19) USER MOD Set 1.2: A 26 MET CE :methyl -159:sc= -0.0646 (180deg=0) USER MOD Single : A 1 LEU N :NH3+ 170:sc=0.000952 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0114) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0589) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.0517 X(o=-0.052,f=-0.021) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 145:sc= 0.352 (180deg=0.0132) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -26:sc= 0.821 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 30:sc= 1.43 USER MOD Single : A 55 ASN : amide:sc= 0.135 K(o=0.13,f=-5.8!) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.505 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -2.47 K(o=-2.5,f=-9.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.864 14.810 -4.760 1.00 0.00 N ATOM 2 CA LEU A 1 2.520 13.516 -4.682 1.00 0.00 C ATOM 3 C LEU A 1 1.767 12.514 -5.558 1.00 0.00 C ATOM 4 O LEU A 1 0.561 12.646 -5.763 1.00 0.00 O ATOM 5 CB LEU A 1 2.662 13.074 -3.224 1.00 0.00 C ATOM 6 CG LEU A 1 4.027 12.513 -2.823 1.00 0.00 C ATOM 7 CD1 LEU A 1 5.065 13.630 -2.701 1.00 0.00 C ATOM 8 CD2 LEU A 1 3.924 11.684 -1.541 1.00 0.00 C ATOM 0 H1 LEU A 1 2.265 15.446 -4.042 1.00 0.00 H new ATOM 0 H2 LEU A 1 2.012 15.218 -5.705 1.00 0.00 H new ATOM 0 H3 LEU A 1 0.845 14.693 -4.589 1.00 0.00 H new ATOM 0 HA LEU A 1 3.536 13.580 -5.072 1.00 0.00 H new ATOM 0 HB2 LEU A 1 2.440 13.927 -2.583 1.00 0.00 H new ATOM 0 HB3 LEU A 1 1.906 12.316 -3.020 1.00 0.00 H new ATOM 0 HG LEU A 1 4.366 11.843 -3.613 1.00 0.00 H new ATOM 0 HD11 LEU A 1 6.026 13.204 -2.415 1.00 0.00 H new ATOM 0 HD12 LEU A 1 5.165 14.140 -3.659 1.00 0.00 H new ATOM 0 HD13 LEU A 1 4.744 14.343 -1.942 1.00 0.00 H new ATOM 0 HD21 LEU A 1 4.908 11.297 -1.278 1.00 0.00 H new ATOM 0 HD22 LEU A 1 3.553 12.311 -0.731 1.00 0.00 H new ATOM 0 HD23 LEU A 1 3.238 10.852 -1.700 1.00 0.00 H new ATOM 20 N LYS A 2 2.508 11.533 -6.052 1.00 0.00 N ATOM 21 CA LYS A 2 1.925 10.509 -6.902 1.00 0.00 C ATOM 22 C LYS A 2 2.344 9.129 -6.390 1.00 0.00 C ATOM 23 O LYS A 2 3.533 8.818 -6.333 1.00 0.00 O ATOM 24 CB LYS A 2 2.289 10.757 -8.367 1.00 0.00 C ATOM 25 CG LYS A 2 1.749 9.640 -9.263 1.00 0.00 C ATOM 26 CD LYS A 2 2.836 8.607 -9.565 1.00 0.00 C ATOM 27 CE LYS A 2 3.394 8.795 -10.978 1.00 0.00 C ATOM 28 NZ LYS A 2 4.139 10.070 -11.074 1.00 0.00 N ATOM 0 H LYS A 2 3.508 11.426 -5.880 1.00 0.00 H new ATOM 0 HA LYS A 2 0.837 10.551 -6.857 1.00 0.00 H new ATOM 0 HB2 LYS A 2 1.882 11.715 -8.689 1.00 0.00 H new ATOM 0 HB3 LYS A 2 3.372 10.820 -8.471 1.00 0.00 H new ATOM 0 HG2 LYS A 2 0.905 9.153 -8.775 1.00 0.00 H new ATOM 0 HG3 LYS A 2 1.376 10.065 -10.195 1.00 0.00 H new ATOM 0 HD2 LYS A 2 3.642 8.698 -8.837 1.00 0.00 H new ATOM 0 HD3 LYS A 2 2.426 7.602 -9.463 1.00 0.00 H new ATOM 0 HE2 LYS A 2 4.051 7.963 -11.230 1.00 0.00 H new ATOM 0 HE3 LYS A 2 2.579 8.788 -11.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 4.568 10.151 -12.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 3.487 10.866 -10.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 4.886 10.091 -10.351 1.00 0.00 H new ATOM 42 N CYS A 3 1.343 8.338 -6.030 1.00 0.00 N ATOM 43 CA CYS A 3 1.593 6.999 -5.525 1.00 0.00 C ATOM 44 C CYS A 3 0.807 6.007 -6.385 1.00 0.00 C ATOM 45 O CYS A 3 0.086 6.407 -7.298 1.00 0.00 O ATOM 46 CB CYS A 3 1.234 6.877 -4.043 1.00 0.00 C ATOM 47 SG CYS A 3 2.601 7.257 -2.888 1.00 0.00 S ATOM 0 H CYS A 3 0.358 8.599 -6.078 1.00 0.00 H new ATOM 0 HA CYS A 3 2.658 6.775 -5.593 1.00 0.00 H new ATOM 0 HB2 CYS A 3 0.400 7.546 -3.829 1.00 0.00 H new ATOM 0 HB3 CYS A 3 0.886 5.862 -3.850 1.00 0.00 H new ATOM 52 N LYS A 4 0.975 4.732 -6.065 1.00 0.00 N ATOM 53 CA LYS A 4 0.291 3.680 -6.797 1.00 0.00 C ATOM 54 C LYS A 4 -1.003 3.314 -6.066 1.00 0.00 C ATOM 55 O LYS A 4 -1.148 3.592 -4.877 1.00 0.00 O ATOM 56 CB LYS A 4 1.226 2.491 -7.025 1.00 0.00 C ATOM 57 CG LYS A 4 2.234 2.791 -8.136 1.00 0.00 C ATOM 58 CD LYS A 4 1.621 2.539 -9.515 1.00 0.00 C ATOM 59 CE LYS A 4 2.611 2.890 -10.627 1.00 0.00 C ATOM 60 NZ LYS A 4 2.010 2.636 -11.956 1.00 0.00 N ATOM 0 H LYS A 4 1.575 4.404 -5.308 1.00 0.00 H new ATOM 0 HA LYS A 4 0.009 4.029 -7.790 1.00 0.00 H new ATOM 0 HB2 LYS A 4 1.756 2.258 -6.101 1.00 0.00 H new ATOM 0 HB3 LYS A 4 0.641 1.609 -7.288 1.00 0.00 H new ATOM 0 HG2 LYS A 4 2.562 3.828 -8.064 1.00 0.00 H new ATOM 0 HG3 LYS A 4 3.119 2.167 -8.008 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.328 1.493 -9.601 1.00 0.00 H new ATOM 0 HD3 LYS A 4 0.715 3.134 -9.629 1.00 0.00 H new ATOM 0 HE2 LYS A 4 2.901 3.938 -10.547 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.519 2.299 -10.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.695 2.880 -12.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 1.756 1.631 -12.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.156 3.219 -12.068 1.00 0.00 H new ATOM 74 N LYS A 5 -1.909 2.696 -6.808 1.00 0.00 N ATOM 75 CA LYS A 5 -3.186 2.289 -6.246 1.00 0.00 C ATOM 76 C LYS A 5 -3.140 0.796 -5.915 1.00 0.00 C ATOM 77 O LYS A 5 -2.064 0.204 -5.850 1.00 0.00 O ATOM 78 CB LYS A 5 -4.332 2.677 -7.182 1.00 0.00 C ATOM 79 CG LYS A 5 -4.245 4.153 -7.573 1.00 0.00 C ATOM 80 CD LYS A 5 -5.591 4.663 -8.092 1.00 0.00 C ATOM 81 CE LYS A 5 -6.526 5.020 -6.935 1.00 0.00 C ATOM 82 NZ LYS A 5 -7.787 5.602 -7.447 1.00 0.00 N ATOM 0 H LYS A 5 -1.785 2.467 -7.794 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.377 2.817 -5.312 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.300 2.057 -8.078 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.287 2.482 -6.694 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -3.936 4.744 -6.711 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -3.482 4.285 -8.340 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -5.434 5.539 -8.721 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -6.056 3.901 -8.718 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -6.743 4.128 -6.347 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -6.035 5.730 -6.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -8.410 5.838 -6.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -7.576 6.464 -7.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -8.262 4.913 -8.064 1.00 0.00 H new ATOM 96 N LEU A 6 -4.321 0.230 -5.716 1.00 0.00 N ATOM 97 CA LEU A 6 -4.429 -1.183 -5.394 1.00 0.00 C ATOM 98 C LEU A 6 -3.635 -1.997 -6.417 1.00 0.00 C ATOM 99 O LEU A 6 -2.914 -2.925 -6.053 1.00 0.00 O ATOM 100 CB LEU A 6 -5.898 -1.597 -5.285 1.00 0.00 C ATOM 101 CG LEU A 6 -6.639 -1.121 -4.034 1.00 0.00 C ATOM 102 CD1 LEU A 6 -7.107 0.327 -4.191 1.00 0.00 C ATOM 103 CD2 LEU A 6 -7.794 -2.063 -3.689 1.00 0.00 C ATOM 0 H LEU A 6 -5.212 0.724 -5.771 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.991 -1.385 -4.416 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -6.427 -1.221 -6.161 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.952 -2.685 -5.323 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.943 -1.145 -3.195 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -7.631 0.640 -3.288 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -6.244 0.973 -4.352 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.780 0.401 -5.045 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -8.304 -1.702 -2.796 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -8.498 -2.095 -4.521 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.404 -3.064 -3.504 1.00 0.00 H new ATOM 115 N VAL A 7 -3.794 -1.620 -7.677 1.00 0.00 N ATOM 116 CA VAL A 7 -3.100 -2.304 -8.756 1.00 0.00 C ATOM 117 C VAL A 7 -1.866 -1.494 -9.157 1.00 0.00 C ATOM 118 O VAL A 7 -1.946 -0.279 -9.332 1.00 0.00 O ATOM 119 CB VAL A 7 -4.060 -2.549 -9.922 1.00 0.00 C ATOM 120 CG1 VAL A 7 -3.393 -3.389 -11.014 1.00 0.00 C ATOM 121 CG2 VAL A 7 -5.354 -3.206 -9.439 1.00 0.00 C ATOM 0 H VAL A 7 -4.393 -0.850 -7.975 1.00 0.00 H new ATOM 0 HA VAL A 7 -2.753 -3.283 -8.427 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.317 -1.581 -10.353 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.097 -3.549 -11.831 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.514 -2.866 -11.389 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -3.093 -4.352 -10.600 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -6.018 -3.369 -10.288 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.123 -4.163 -8.970 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -5.844 -2.555 -8.714 1.00 0.00 H new ATOM 131 N PRO A 8 -0.723 -2.218 -9.294 1.00 0.00 N ATOM 132 CA PRO A 8 0.526 -1.580 -9.672 1.00 0.00 C ATOM 133 C PRO A 8 0.533 -1.223 -11.159 1.00 0.00 C ATOM 134 O PRO A 8 1.436 -1.620 -11.893 1.00 0.00 O ATOM 135 CB PRO A 8 1.608 -2.580 -9.297 1.00 0.00 C ATOM 136 CG PRO A 8 0.905 -3.921 -9.155 1.00 0.00 C ATOM 137 CD PRO A 8 -0.591 -3.659 -9.096 1.00 0.00 C ATOM 0 HA PRO A 8 0.684 -0.631 -9.160 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.382 -2.624 -10.063 1.00 0.00 H new ATOM 0 HB3 PRO A 8 2.097 -2.295 -8.366 1.00 0.00 H new ATOM 0 HG2 PRO A 8 1.146 -4.569 -9.997 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.239 -4.433 -8.253 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.121 -4.215 -9.869 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -1.010 -3.967 -8.138 1.00 0.00 H new ATOM 145 N LEU A 9 -0.486 -0.477 -11.560 1.00 0.00 N ATOM 146 CA LEU A 9 -0.610 -0.061 -12.947 1.00 0.00 C ATOM 147 C LEU A 9 -1.151 1.369 -13.000 1.00 0.00 C ATOM 148 O LEU A 9 -0.642 2.201 -13.750 1.00 0.00 O ATOM 149 CB LEU A 9 -1.452 -1.067 -13.735 1.00 0.00 C ATOM 150 CG LEU A 9 -0.718 -2.316 -14.227 1.00 0.00 C ATOM 151 CD1 LEU A 9 -1.685 -3.490 -14.394 1.00 0.00 C ATOM 152 CD2 LEU A 9 0.058 -2.025 -15.513 1.00 0.00 C ATOM 0 H LEU A 9 -1.234 -0.150 -10.948 1.00 0.00 H new ATOM 0 HA LEU A 9 0.367 -0.050 -13.430 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.286 -1.383 -13.108 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.878 -0.556 -14.599 1.00 0.00 H new ATOM 0 HG LEU A 9 0.011 -2.605 -13.470 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.138 -4.365 -14.745 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.153 -3.715 -13.436 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.454 -3.228 -15.121 1.00 0.00 H new ATOM 0 HD21 LEU A 9 0.571 -2.929 -15.841 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.634 -1.698 -16.289 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.791 -1.240 -15.326 1.00 0.00 H new ATOM 164 N PHE A 10 -2.175 1.610 -12.196 1.00 0.00 N ATOM 165 CA PHE A 10 -2.791 2.926 -12.142 1.00 0.00 C ATOM 166 C PHE A 10 -2.279 3.722 -10.940 1.00 0.00 C ATOM 167 O PHE A 10 -2.188 3.192 -9.833 1.00 0.00 O ATOM 168 CB PHE A 10 -4.297 2.708 -11.991 1.00 0.00 C ATOM 169 CG PHE A 10 -5.028 2.473 -13.314 1.00 0.00 C ATOM 170 CD1 PHE A 10 -5.107 1.219 -13.835 1.00 0.00 C ATOM 171 CD2 PHE A 10 -5.599 3.519 -13.971 1.00 0.00 C ATOM 172 CE1 PHE A 10 -5.785 1.001 -15.063 1.00 0.00 C ATOM 173 CE2 PHE A 10 -6.278 3.300 -15.199 1.00 0.00 C ATOM 174 CZ PHE A 10 -6.356 2.046 -15.719 1.00 0.00 C ATOM 0 H PHE A 10 -2.594 0.917 -11.576 1.00 0.00 H new ATOM 0 HA PHE A 10 -2.550 3.488 -13.044 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.466 1.852 -11.337 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -4.732 3.577 -11.497 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.654 0.389 -13.314 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -5.536 4.515 -13.559 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -5.847 0.005 -15.476 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -6.733 4.130 -15.720 1.00 0.00 H new ATOM 0 HZ PHE A 10 -6.872 1.880 -16.653 1.00 0.00 H new ATOM 184 N SER A 11 -1.957 4.981 -11.198 1.00 0.00 N ATOM 185 CA SER A 11 -1.457 5.855 -10.151 1.00 0.00 C ATOM 186 C SER A 11 -2.418 7.028 -9.945 1.00 0.00 C ATOM 187 O SER A 11 -3.079 7.466 -10.885 1.00 0.00 O ATOM 188 CB SER A 11 -0.056 6.369 -10.486 1.00 0.00 C ATOM 189 OG SER A 11 0.088 6.664 -11.872 1.00 0.00 O ATOM 0 H SER A 11 -2.033 5.417 -12.117 1.00 0.00 H new ATOM 0 HA SER A 11 -1.393 5.280 -9.227 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.150 7.266 -9.901 1.00 0.00 H new ATOM 0 HB3 SER A 11 0.683 5.622 -10.196 1.00 0.00 H new ATOM 0 HG SER A 11 0.996 6.991 -12.044 1.00 0.00 H new ATOM 195 N LYS A 12 -2.464 7.504 -8.709 1.00 0.00 N ATOM 196 CA LYS A 12 -3.333 8.617 -8.368 1.00 0.00 C ATOM 197 C LYS A 12 -2.528 9.672 -7.607 1.00 0.00 C ATOM 198 O LYS A 12 -1.689 9.335 -6.773 1.00 0.00 O ATOM 199 CB LYS A 12 -4.567 8.122 -7.612 1.00 0.00 C ATOM 200 CG LYS A 12 -5.261 9.273 -6.881 1.00 0.00 C ATOM 201 CD LYS A 12 -6.579 8.811 -6.257 1.00 0.00 C ATOM 202 CE LYS A 12 -7.180 9.904 -5.371 1.00 0.00 C ATOM 203 NZ LYS A 12 -7.585 11.069 -6.190 1.00 0.00 N ATOM 0 H LYS A 12 -1.913 7.139 -7.932 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.712 9.095 -9.271 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.263 7.657 -8.310 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.275 7.355 -6.895 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.604 9.664 -6.104 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.451 10.089 -7.578 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.285 8.547 -7.044 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.410 7.911 -5.666 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -8.043 9.511 -4.834 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.452 10.214 -4.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -8.097 11.751 -5.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.739 11.524 -6.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.204 10.751 -6.963 1.00 0.00 H new ATOM 217 N THR A 13 -2.812 10.928 -7.920 1.00 0.00 N ATOM 218 CA THR A 13 -2.124 12.034 -7.276 1.00 0.00 C ATOM 219 C THR A 13 -2.960 12.578 -6.115 1.00 0.00 C ATOM 220 O THR A 13 -4.087 13.028 -6.315 1.00 0.00 O ATOM 221 CB THR A 13 -1.812 13.083 -8.344 1.00 0.00 C ATOM 222 OG1 THR A 13 -1.175 12.344 -9.382 1.00 0.00 O ATOM 223 CG2 THR A 13 -0.746 14.083 -7.890 1.00 0.00 C ATOM 0 H THR A 13 -3.509 11.204 -8.611 1.00 0.00 H new ATOM 0 HA THR A 13 -1.182 11.710 -6.834 1.00 0.00 H new ATOM 0 HB THR A 13 -2.725 13.619 -8.603 1.00 0.00 H new ATOM 0 HG1 THR A 13 -0.940 12.948 -10.117 1.00 0.00 H new ATOM 0 HG21 THR A 13 -0.562 14.805 -8.685 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.093 14.605 -6.999 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.178 13.552 -7.662 1.00 0.00 H new ATOM 231 N CYS A 14 -2.375 12.518 -4.928 1.00 0.00 N ATOM 232 CA CYS A 14 -3.052 12.999 -3.735 1.00 0.00 C ATOM 233 C CYS A 14 -3.407 14.472 -3.946 1.00 0.00 C ATOM 234 O CYS A 14 -2.522 15.318 -4.062 1.00 0.00 O ATOM 235 CB CYS A 14 -2.202 12.791 -2.480 1.00 0.00 C ATOM 236 SG CYS A 14 -1.352 11.173 -2.388 1.00 0.00 S ATOM 0 H CYS A 14 -1.440 12.144 -4.766 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.965 12.425 -3.575 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -1.454 13.582 -2.430 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.841 12.900 -1.603 1.00 0.00 H new ATOM 241 N PRO A 15 -4.740 14.741 -3.990 1.00 0.00 N ATOM 242 CA PRO A 15 -5.223 16.097 -4.184 1.00 0.00 C ATOM 243 C PRO A 15 -5.063 16.925 -2.908 1.00 0.00 C ATOM 244 O PRO A 15 -4.516 16.444 -1.917 1.00 0.00 O ATOM 245 CB PRO A 15 -6.673 15.940 -4.612 1.00 0.00 C ATOM 246 CG PRO A 15 -7.082 14.537 -4.194 1.00 0.00 C ATOM 247 CD PRO A 15 -5.817 13.765 -3.856 1.00 0.00 C ATOM 0 HA PRO A 15 -4.655 16.642 -4.938 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -7.304 16.689 -4.134 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -6.779 16.073 -5.689 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -7.748 14.574 -3.332 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -7.628 14.043 -4.998 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -5.859 13.358 -2.846 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -5.674 12.923 -4.533 1.00 0.00 H new ATOM 255 N ALA A 16 -5.551 18.155 -2.973 1.00 0.00 N ATOM 256 CA ALA A 16 -5.469 19.054 -1.835 1.00 0.00 C ATOM 257 C ALA A 16 -6.098 18.382 -0.613 1.00 0.00 C ATOM 258 O ALA A 16 -7.197 17.836 -0.698 1.00 0.00 O ATOM 259 CB ALA A 16 -6.144 20.382 -2.183 1.00 0.00 C ATOM 0 H ALA A 16 -6.005 18.550 -3.797 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.429 19.272 -1.592 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.082 21.056 -1.329 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.641 20.833 -3.038 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -7.191 20.204 -2.430 1.00 0.00 H new ATOM 265 N GLY A 17 -5.375 18.445 0.496 1.00 0.00 N ATOM 266 CA GLY A 17 -5.849 17.849 1.733 1.00 0.00 C ATOM 267 C GLY A 17 -4.988 16.648 2.129 1.00 0.00 C ATOM 268 O GLY A 17 -4.674 16.465 3.304 1.00 0.00 O ATOM 0 H GLY A 17 -4.464 18.900 0.563 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.830 18.593 2.530 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.886 17.534 1.615 1.00 0.00 H new ATOM 272 N LYS A 18 -4.629 15.861 1.125 1.00 0.00 N ATOM 273 CA LYS A 18 -3.810 14.683 1.354 1.00 0.00 C ATOM 274 C LYS A 18 -2.432 14.896 0.725 1.00 0.00 C ATOM 275 O LYS A 18 -2.326 15.389 -0.396 1.00 0.00 O ATOM 276 CB LYS A 18 -4.527 13.427 0.854 1.00 0.00 C ATOM 277 CG LYS A 18 -5.926 13.315 1.461 1.00 0.00 C ATOM 278 CD LYS A 18 -6.787 12.323 0.677 1.00 0.00 C ATOM 279 CE LYS A 18 -8.120 12.074 1.385 1.00 0.00 C ATOM 280 NZ LYS A 18 -8.950 11.125 0.610 1.00 0.00 N ATOM 0 H LYS A 18 -4.890 16.016 0.151 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.653 14.529 2.422 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.600 13.454 -0.233 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.943 12.544 1.112 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -5.851 12.994 2.500 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.405 14.294 1.463 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -6.970 12.709 -0.326 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -6.250 11.381 0.563 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -7.939 11.676 2.384 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -8.654 13.016 1.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.851 10.967 1.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.138 11.519 -0.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -8.445 10.221 0.514 1.00 0.00 H new ATOM 294 N ASN A 19 -1.409 14.514 1.476 1.00 0.00 N ATOM 295 CA ASN A 19 -0.041 14.657 1.007 1.00 0.00 C ATOM 296 C ASN A 19 0.792 13.476 1.510 1.00 0.00 C ATOM 297 O ASN A 19 2.018 13.560 1.574 1.00 0.00 O ATOM 298 CB ASN A 19 0.592 15.944 1.539 1.00 0.00 C ATOM 299 CG ASN A 19 0.028 17.171 0.820 1.00 0.00 C ATOM 300 OD1 ASN A 19 0.533 17.610 -0.200 1.00 0.00 O ATOM 301 ND2 ASN A 19 -1.043 17.697 1.406 1.00 0.00 N ATOM 0 H ASN A 19 -1.500 14.106 2.406 1.00 0.00 H new ATOM 0 HA ASN A 19 -0.059 14.688 -0.082 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.407 16.029 2.610 1.00 0.00 H new ATOM 0 HB3 ASN A 19 1.673 15.904 1.404 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -1.493 18.518 1.003 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -1.414 17.279 2.259 1.00 0.00 H new ATOM 308 N LEU A 20 0.094 12.404 1.854 1.00 0.00 N ATOM 309 CA LEU A 20 0.754 11.208 2.349 1.00 0.00 C ATOM 310 C LEU A 20 0.238 9.990 1.580 1.00 0.00 C ATOM 311 O LEU A 20 -0.795 10.063 0.916 1.00 0.00 O ATOM 312 CB LEU A 20 0.587 11.094 3.866 1.00 0.00 C ATOM 313 CG LEU A 20 1.379 12.098 4.705 1.00 0.00 C ATOM 314 CD1 LEU A 20 0.848 12.153 6.139 1.00 0.00 C ATOM 315 CD2 LEU A 20 2.877 11.791 4.660 1.00 0.00 C ATOM 0 H LEU A 20 -0.922 12.339 1.800 1.00 0.00 H new ATOM 0 HA LEU A 20 1.828 11.264 2.173 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.471 11.206 4.105 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.878 10.088 4.169 1.00 0.00 H new ATOM 0 HG LEU A 20 1.241 13.089 4.272 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.428 12.874 6.714 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.199 12.456 6.128 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.936 11.168 6.598 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.416 12.520 5.265 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.055 10.790 5.053 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.228 11.844 3.630 1.00 0.00 H new ATOM 327 N CYS A 21 0.981 8.900 1.695 1.00 0.00 N ATOM 328 CA CYS A 21 0.612 7.668 1.019 1.00 0.00 C ATOM 329 C CYS A 21 0.363 6.593 2.079 1.00 0.00 C ATOM 330 O CYS A 21 1.232 6.318 2.905 1.00 0.00 O ATOM 331 CB CYS A 21 1.676 7.236 0.008 1.00 0.00 C ATOM 332 SG CYS A 21 1.886 8.367 -1.415 1.00 0.00 S ATOM 0 H CYS A 21 1.837 8.844 2.246 1.00 0.00 H new ATOM 0 HA CYS A 21 -0.300 7.827 0.443 1.00 0.00 H new ATOM 0 HB2 CYS A 21 2.631 7.143 0.524 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.419 6.246 -0.368 1.00 0.00 H new ATOM 337 N TYR A 22 -0.827 6.015 2.022 1.00 0.00 N ATOM 338 CA TYR A 22 -1.201 4.977 2.967 1.00 0.00 C ATOM 339 C TYR A 22 -1.211 3.602 2.296 1.00 0.00 C ATOM 340 O TYR A 22 -1.510 3.489 1.109 1.00 0.00 O ATOM 341 CB TYR A 22 -2.621 5.317 3.427 1.00 0.00 C ATOM 342 CG TYR A 22 -3.720 4.679 2.575 1.00 0.00 C ATOM 343 CD1 TYR A 22 -3.960 3.323 2.661 1.00 0.00 C ATOM 344 CD2 TYR A 22 -4.472 5.460 1.721 1.00 0.00 C ATOM 345 CE1 TYR A 22 -4.995 2.723 1.859 1.00 0.00 C ATOM 346 CE2 TYR A 22 -5.506 4.860 0.920 1.00 0.00 C ATOM 347 CZ TYR A 22 -5.717 3.521 1.028 1.00 0.00 C ATOM 348 OH TYR A 22 -6.694 2.954 0.271 1.00 0.00 O ATOM 0 H TYR A 22 -1.545 6.246 1.336 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.492 4.937 3.794 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -2.744 4.995 4.461 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.747 6.400 3.413 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -3.372 2.712 3.329 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -4.284 6.521 1.654 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -5.193 1.663 1.916 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -6.101 5.460 0.248 1.00 0.00 H new ATOM 0 HH TYR A 22 -7.128 3.644 -0.274 1.00 0.00 H new ATOM 358 N LYS A 23 -0.880 2.591 3.086 1.00 0.00 N ATOM 359 CA LYS A 23 -0.846 1.228 2.583 1.00 0.00 C ATOM 360 C LYS A 23 -1.423 0.285 3.641 1.00 0.00 C ATOM 361 O LYS A 23 -1.084 0.386 4.819 1.00 0.00 O ATOM 362 CB LYS A 23 0.568 0.857 2.134 1.00 0.00 C ATOM 363 CG LYS A 23 1.437 0.460 3.329 1.00 0.00 C ATOM 364 CD LYS A 23 2.918 0.431 2.945 1.00 0.00 C ATOM 365 CE LYS A 23 3.654 -0.686 3.686 1.00 0.00 C ATOM 366 NZ LYS A 23 4.677 -1.302 2.811 1.00 0.00 N ATOM 0 H LYS A 23 -0.633 2.688 4.071 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.471 1.134 1.695 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.523 0.032 1.423 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.022 1.701 1.615 1.00 0.00 H new ATOM 0 HG2 LYS A 23 1.283 1.166 4.145 1.00 0.00 H new ATOM 0 HG3 LYS A 23 1.133 -0.521 3.694 1.00 0.00 H new ATOM 0 HD2 LYS A 23 3.016 0.285 1.869 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.377 1.392 3.179 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.127 -0.285 4.582 1.00 0.00 H new ATOM 0 HE3 LYS A 23 2.942 -1.444 4.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.502 -1.576 3.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.278 -2.145 2.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.970 -0.618 2.085 1.00 0.00 H new ATOM 380 N MET A 24 -2.284 -0.612 3.183 1.00 0.00 N ATOM 381 CA MET A 24 -2.910 -1.573 4.075 1.00 0.00 C ATOM 382 C MET A 24 -2.390 -2.987 3.810 1.00 0.00 C ATOM 383 O MET A 24 -2.415 -3.459 2.674 1.00 0.00 O ATOM 384 CB MET A 24 -4.427 -1.541 3.876 1.00 0.00 C ATOM 385 CG MET A 24 -5.152 -2.093 5.104 1.00 0.00 C ATOM 386 SD MET A 24 -6.898 -1.738 4.993 1.00 0.00 S ATOM 387 CE MET A 24 -7.521 -3.364 4.599 1.00 0.00 C ATOM 0 H MET A 24 -2.563 -0.693 2.205 1.00 0.00 H new ATOM 0 HA MET A 24 -2.663 -1.302 5.102 1.00 0.00 H new ATOM 0 HB2 MET A 24 -4.751 -0.518 3.687 1.00 0.00 H new ATOM 0 HB3 MET A 24 -4.695 -2.127 2.997 1.00 0.00 H new ATOM 0 HG2 MET A 24 -4.995 -3.169 5.176 1.00 0.00 H new ATOM 0 HG3 MET A 24 -4.739 -1.650 6.010 1.00 0.00 H new ATOM 0 HE1 MET A 24 -8.404 -3.272 3.967 1.00 0.00 H new ATOM 0 HE2 MET A 24 -6.754 -3.929 4.070 1.00 0.00 H new ATOM 0 HE3 MET A 24 -7.786 -3.885 5.519 1.00 0.00 H new ATOM 397 N PHE A 25 -1.930 -3.623 4.877 1.00 0.00 N ATOM 398 CA PHE A 25 -1.405 -4.974 4.774 1.00 0.00 C ATOM 399 C PHE A 25 -2.104 -5.911 5.761 1.00 0.00 C ATOM 400 O PHE A 25 -2.841 -5.459 6.637 1.00 0.00 O ATOM 401 CB PHE A 25 0.083 -4.903 5.124 1.00 0.00 C ATOM 402 CG PHE A 25 0.982 -4.530 3.944 1.00 0.00 C ATOM 403 CD1 PHE A 25 0.875 -3.303 3.369 1.00 0.00 C ATOM 404 CD2 PHE A 25 1.889 -5.426 3.470 1.00 0.00 C ATOM 405 CE1 PHE A 25 1.710 -2.956 2.273 1.00 0.00 C ATOM 406 CE2 PHE A 25 2.724 -5.080 2.375 1.00 0.00 C ATOM 407 CZ PHE A 25 2.617 -3.853 1.799 1.00 0.00 C ATOM 0 H PHE A 25 -1.910 -3.228 5.817 1.00 0.00 H new ATOM 0 HA PHE A 25 -1.569 -5.361 3.768 1.00 0.00 H new ATOM 0 HB2 PHE A 25 0.224 -4.172 5.920 1.00 0.00 H new ATOM 0 HB3 PHE A 25 0.400 -5.869 5.518 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.155 -2.591 3.745 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.974 -6.401 3.927 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.625 -1.981 1.816 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.444 -5.792 1.999 1.00 0.00 H new ATOM 0 HZ PHE A 25 3.252 -3.590 0.966 1.00 0.00 H new ATOM 417 N MET A 26 -1.850 -7.200 5.587 1.00 0.00 N ATOM 418 CA MET A 26 -2.446 -8.204 6.451 1.00 0.00 C ATOM 419 C MET A 26 -1.380 -8.897 7.303 1.00 0.00 C ATOM 420 O MET A 26 -0.340 -9.307 6.790 1.00 0.00 O ATOM 421 CB MET A 26 -3.173 -9.245 5.597 1.00 0.00 C ATOM 422 CG MET A 26 -4.633 -8.847 5.373 1.00 0.00 C ATOM 423 SD MET A 26 -4.719 -7.198 4.696 1.00 0.00 S ATOM 424 CE MET A 26 -6.490 -6.999 4.586 1.00 0.00 C ATOM 0 H MET A 26 -1.239 -7.572 4.860 1.00 0.00 H new ATOM 0 HA MET A 26 -3.153 -7.710 7.118 1.00 0.00 H new ATOM 0 HB2 MET A 26 -2.669 -9.349 4.636 1.00 0.00 H new ATOM 0 HB3 MET A 26 -3.128 -10.218 6.087 1.00 0.00 H new ATOM 0 HG2 MET A 26 -5.111 -9.553 4.694 1.00 0.00 H new ATOM 0 HG3 MET A 26 -5.179 -8.891 6.315 1.00 0.00 H new ATOM 0 HE1 MET A 26 -6.724 -6.217 3.864 1.00 0.00 H new ATOM 0 HE2 MET A 26 -6.942 -7.937 4.264 1.00 0.00 H new ATOM 0 HE3 MET A 26 -6.886 -6.721 5.563 1.00 0.00 H new ATOM 434 N VAL A 27 -1.675 -9.005 8.590 1.00 0.00 N ATOM 435 CA VAL A 27 -0.756 -9.640 9.518 1.00 0.00 C ATOM 436 C VAL A 27 -0.640 -11.127 9.176 1.00 0.00 C ATOM 437 O VAL A 27 -1.182 -11.974 9.885 1.00 0.00 O ATOM 438 CB VAL A 27 -1.210 -9.391 10.958 1.00 0.00 C ATOM 439 CG1 VAL A 27 -2.508 -10.141 11.261 1.00 0.00 C ATOM 440 CG2 VAL A 27 -0.111 -9.771 11.952 1.00 0.00 C ATOM 0 H VAL A 27 -2.538 -8.663 9.012 1.00 0.00 H new ATOM 0 HA VAL A 27 0.240 -9.206 9.426 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.407 -8.325 11.068 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.809 -9.947 12.291 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.291 -9.801 10.584 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.350 -11.211 11.125 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.459 -9.584 12.968 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.132 -10.828 11.840 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.779 -9.172 11.757 1.00 0.00 H new ATOM 450 N ALA A 28 0.071 -11.399 8.091 1.00 0.00 N ATOM 451 CA ALA A 28 0.264 -12.769 7.648 1.00 0.00 C ATOM 452 C ALA A 28 1.311 -12.795 6.532 1.00 0.00 C ATOM 453 O ALA A 28 2.171 -13.674 6.504 1.00 0.00 O ATOM 454 CB ALA A 28 -1.077 -13.356 7.204 1.00 0.00 C ATOM 0 H ALA A 28 0.520 -10.694 7.506 1.00 0.00 H new ATOM 0 HA ALA A 28 0.636 -13.389 8.464 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.932 -14.384 6.872 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.776 -13.340 8.040 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.480 -12.763 6.383 1.00 0.00 H new ATOM 460 N ALA A 29 1.202 -11.822 5.639 1.00 0.00 N ATOM 461 CA ALA A 29 2.128 -11.723 4.523 1.00 0.00 C ATOM 462 C ALA A 29 2.773 -10.336 4.524 1.00 0.00 C ATOM 463 O ALA A 29 2.425 -9.485 3.707 1.00 0.00 O ATOM 464 CB ALA A 29 1.388 -12.022 3.218 1.00 0.00 C ATOM 0 H ALA A 29 0.487 -11.095 5.665 1.00 0.00 H new ATOM 0 HA ALA A 29 2.927 -12.458 4.620 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.082 -11.948 2.381 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.973 -13.029 3.257 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.580 -11.302 3.085 1.00 0.00 H new ATOM 470 N PRO A 30 3.727 -10.146 5.474 1.00 0.00 N ATOM 471 CA PRO A 30 4.425 -8.877 5.592 1.00 0.00 C ATOM 472 C PRO A 30 5.457 -8.713 4.475 1.00 0.00 C ATOM 473 O PRO A 30 6.644 -8.536 4.742 1.00 0.00 O ATOM 474 CB PRO A 30 5.048 -8.898 6.978 1.00 0.00 C ATOM 475 CG PRO A 30 5.070 -10.357 7.404 1.00 0.00 C ATOM 476 CD PRO A 30 4.165 -11.131 6.459 1.00 0.00 C ATOM 0 HA PRO A 30 3.761 -8.020 5.482 1.00 0.00 H new ATOM 0 HB2 PRO A 30 6.055 -8.481 6.960 1.00 0.00 H new ATOM 0 HB3 PRO A 30 4.467 -8.296 7.676 1.00 0.00 H new ATOM 0 HG2 PRO A 30 6.086 -10.750 7.368 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.725 -10.460 8.433 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.699 -11.954 5.985 1.00 0.00 H new ATOM 0 HD3 PRO A 30 3.317 -11.565 6.989 1.00 0.00 H new ATOM 484 N HIS A 31 4.966 -8.778 3.245 1.00 0.00 N ATOM 485 CA HIS A 31 5.831 -8.638 2.086 1.00 0.00 C ATOM 486 C HIS A 31 5.029 -8.075 0.912 1.00 0.00 C ATOM 487 O HIS A 31 5.472 -7.143 0.243 1.00 0.00 O ATOM 488 CB HIS A 31 6.513 -9.967 1.755 1.00 0.00 C ATOM 489 CG HIS A 31 7.327 -9.939 0.483 1.00 0.00 C ATOM 490 ND1 HIS A 31 7.132 -10.838 -0.552 1.00 0.00 N ATOM 491 CD2 HIS A 31 8.338 -9.112 0.090 1.00 0.00 C ATOM 492 CE1 HIS A 31 7.994 -10.555 -1.518 1.00 0.00 C ATOM 493 NE2 HIS A 31 8.740 -9.486 -1.118 1.00 0.00 N ATOM 0 H HIS A 31 3.981 -8.926 3.027 1.00 0.00 H new ATOM 0 HA HIS A 31 6.630 -7.930 2.307 1.00 0.00 H new ATOM 0 HB2 HIS A 31 7.163 -10.247 2.584 1.00 0.00 H new ATOM 0 HB3 HIS A 31 5.752 -10.743 1.671 1.00 0.00 H new ATOM 0 HD2 HIS A 31 8.743 -8.292 0.665 1.00 0.00 H new ATOM 0 HE1 HIS A 31 8.089 -11.079 -2.457 1.00 0.00 H new ATOM 0 HE2 HIS A 31 9.485 -9.046 -1.659 1.00 0.00 H new ATOM 501 N VAL A 32 3.861 -8.663 0.698 1.00 0.00 N ATOM 502 CA VAL A 32 2.993 -8.232 -0.384 1.00 0.00 C ATOM 503 C VAL A 32 1.885 -7.341 0.181 1.00 0.00 C ATOM 504 O VAL A 32 1.259 -7.684 1.184 1.00 0.00 O ATOM 505 CB VAL A 32 2.455 -9.448 -1.141 1.00 0.00 C ATOM 506 CG1 VAL A 32 1.639 -9.018 -2.361 1.00 0.00 C ATOM 507 CG2 VAL A 32 3.591 -10.389 -1.545 1.00 0.00 C ATOM 0 H VAL A 32 3.496 -9.435 1.256 1.00 0.00 H new ATOM 0 HA VAL A 32 3.551 -7.638 -1.107 1.00 0.00 H new ATOM 0 HB VAL A 32 1.791 -9.993 -0.470 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.269 -9.902 -2.881 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.796 -8.407 -2.038 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.270 -8.439 -3.035 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.181 -11.245 -2.081 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.291 -9.858 -2.190 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.111 -10.736 -0.652 1.00 0.00 H new ATOM 517 N PRO A 33 1.670 -6.186 -0.503 1.00 0.00 N ATOM 518 CA PRO A 33 0.649 -5.243 -0.079 1.00 0.00 C ATOM 519 C PRO A 33 -0.749 -5.754 -0.434 1.00 0.00 C ATOM 520 O PRO A 33 -0.889 -6.736 -1.162 1.00 0.00 O ATOM 521 CB PRO A 33 1.001 -3.941 -0.778 1.00 0.00 C ATOM 522 CG PRO A 33 1.925 -4.319 -1.924 1.00 0.00 C ATOM 523 CD PRO A 33 2.392 -5.747 -1.694 1.00 0.00 C ATOM 0 HA PRO A 33 0.626 -5.105 1.002 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.105 -3.442 -1.147 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.492 -3.250 -0.092 1.00 0.00 H new ATOM 0 HG2 PRO A 33 1.404 -4.237 -2.878 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.777 -3.641 -1.967 1.00 0.00 H new ATOM 0 HD2 PRO A 33 2.165 -6.381 -2.551 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.470 -5.791 -1.542 1.00 0.00 H new ATOM 531 N VAL A 34 -1.749 -5.064 0.096 1.00 0.00 N ATOM 532 CA VAL A 34 -3.131 -5.435 -0.156 1.00 0.00 C ATOM 533 C VAL A 34 -3.839 -4.286 -0.876 1.00 0.00 C ATOM 534 O VAL A 34 -4.383 -4.472 -1.964 1.00 0.00 O ATOM 535 CB VAL A 34 -3.813 -5.831 1.155 1.00 0.00 C ATOM 536 CG1 VAL A 34 -5.262 -6.259 0.911 1.00 0.00 C ATOM 537 CG2 VAL A 34 -3.029 -6.932 1.871 1.00 0.00 C ATOM 0 H VAL A 34 -1.629 -4.250 0.699 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.181 -6.307 -0.809 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.827 -4.955 1.803 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.724 -6.535 1.859 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.815 -5.433 0.465 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.280 -7.114 0.235 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.536 -7.194 2.800 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.968 -7.811 1.230 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.023 -6.576 2.095 1.00 0.00 H new ATOM 547 N LYS A 35 -3.811 -3.124 -0.241 1.00 0.00 N ATOM 548 CA LYS A 35 -4.444 -1.946 -0.807 1.00 0.00 C ATOM 549 C LYS A 35 -3.448 -0.784 -0.801 1.00 0.00 C ATOM 550 O LYS A 35 -2.469 -0.805 -0.056 1.00 0.00 O ATOM 551 CB LYS A 35 -5.753 -1.637 -0.077 1.00 0.00 C ATOM 552 CG LYS A 35 -6.735 -2.805 -0.195 1.00 0.00 C ATOM 553 CD LYS A 35 -7.318 -3.171 1.171 1.00 0.00 C ATOM 554 CE LYS A 35 -8.439 -4.202 1.030 1.00 0.00 C ATOM 555 NZ LYS A 35 -9.713 -3.538 0.675 1.00 0.00 N ATOM 0 H LYS A 35 -3.359 -2.973 0.661 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.720 -2.125 -1.846 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.548 -1.434 0.974 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -6.202 -0.736 -0.494 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -7.541 -2.539 -0.879 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -6.227 -3.670 -0.621 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -6.531 -3.569 1.811 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -7.702 -2.275 1.658 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -8.176 -4.931 0.263 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -8.556 -4.751 1.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -10.463 -4.253 0.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -9.970 -2.860 1.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -9.602 -3.035 -0.228 1.00 0.00 H new ATOM 569 N ARG A 36 -3.732 0.202 -1.639 1.00 0.00 N ATOM 570 CA ARG A 36 -2.874 1.370 -1.739 1.00 0.00 C ATOM 571 C ARG A 36 -3.682 2.585 -2.198 1.00 0.00 C ATOM 572 O ARG A 36 -4.420 2.510 -3.180 1.00 0.00 O ATOM 573 CB ARG A 36 -1.727 1.127 -2.723 1.00 0.00 C ATOM 574 CG ARG A 36 -0.911 -0.103 -2.322 1.00 0.00 C ATOM 575 CD ARG A 36 0.215 -0.365 -3.324 1.00 0.00 C ATOM 576 NE ARG A 36 -0.259 -1.271 -4.393 1.00 0.00 N ATOM 577 CZ ARG A 36 0.535 -2.106 -5.077 1.00 0.00 C ATOM 578 NH1 ARG A 36 1.847 -2.154 -4.808 1.00 0.00 N ATOM 579 NH2 ARG A 36 0.017 -2.892 -6.031 1.00 0.00 N ATOM 0 H ARG A 36 -4.545 0.216 -2.255 1.00 0.00 H new ATOM 0 HA ARG A 36 -2.456 1.561 -0.750 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.128 0.990 -3.727 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -1.079 2.003 -2.755 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -0.490 0.044 -1.327 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.563 -0.974 -2.267 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.554 0.576 -3.757 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.071 -0.807 -2.814 1.00 0.00 H new ATOM 0 HE ARG A 36 -1.252 -1.259 -4.624 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.241 -1.555 -4.083 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.451 -2.790 -5.329 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -0.981 -2.854 -6.236 1.00 0.00 H new ATOM 0 HH22 ARG A 36 0.621 -3.528 -6.552 1.00 0.00 H new ATOM 593 N GLY A 37 -3.516 3.677 -1.466 1.00 0.00 N ATOM 594 CA GLY A 37 -4.221 4.906 -1.786 1.00 0.00 C ATOM 595 C GLY A 37 -3.562 6.109 -1.106 1.00 0.00 C ATOM 596 O GLY A 37 -2.500 5.978 -0.499 1.00 0.00 O ATOM 0 H GLY A 37 -2.904 3.736 -0.652 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.230 5.054 -2.866 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -5.260 4.827 -1.467 1.00 0.00 H new ATOM 600 N CYS A 38 -4.219 7.252 -1.232 1.00 0.00 N ATOM 601 CA CYS A 38 -3.711 8.477 -0.638 1.00 0.00 C ATOM 602 C CYS A 38 -4.462 8.723 0.672 1.00 0.00 C ATOM 603 O CYS A 38 -5.518 8.137 0.906 1.00 0.00 O ATOM 604 CB CYS A 38 -3.830 9.663 -1.596 1.00 0.00 C ATOM 605 SG CYS A 38 -2.564 9.713 -2.916 1.00 0.00 S ATOM 0 H CYS A 38 -5.099 7.356 -1.737 1.00 0.00 H new ATOM 0 HA CYS A 38 -2.646 8.369 -0.431 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -4.817 9.641 -2.059 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -3.770 10.586 -1.019 1.00 0.00 H new ATOM 610 N ILE A 39 -3.889 9.592 1.492 1.00 0.00 N ATOM 611 CA ILE A 39 -4.491 9.924 2.772 1.00 0.00 C ATOM 612 C ILE A 39 -3.889 11.231 3.291 1.00 0.00 C ATOM 613 O ILE A 39 -2.827 11.653 2.836 1.00 0.00 O ATOM 614 CB ILE A 39 -4.354 8.754 3.748 1.00 0.00 C ATOM 615 CG1 ILE A 39 -5.468 8.780 4.796 1.00 0.00 C ATOM 616 CG2 ILE A 39 -2.965 8.734 4.388 1.00 0.00 C ATOM 617 CD1 ILE A 39 -5.769 7.372 5.313 1.00 0.00 C ATOM 0 H ILE A 39 -3.013 10.077 1.294 1.00 0.00 H new ATOM 0 HA ILE A 39 -5.562 10.090 2.657 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.463 7.826 3.186 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.175 9.421 5.627 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -6.370 9.212 4.362 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.894 7.893 5.077 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.208 8.631 3.611 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -2.802 9.664 4.933 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.565 7.420 6.057 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.085 6.740 4.483 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.872 6.952 5.768 1.00 0.00 H new ATOM 629 N ASP A 40 -4.595 11.836 4.235 1.00 0.00 N ATOM 630 CA ASP A 40 -4.143 13.087 4.820 1.00 0.00 C ATOM 631 C ASP A 40 -3.579 12.817 6.217 1.00 0.00 C ATOM 632 O ASP A 40 -2.444 13.186 6.514 1.00 0.00 O ATOM 633 CB ASP A 40 -5.300 14.079 4.961 1.00 0.00 C ATOM 634 CG ASP A 40 -6.581 13.497 5.562 1.00 0.00 C ATOM 635 OD1 ASP A 40 -7.254 12.735 4.835 1.00 0.00 O ATOM 636 OD2 ASP A 40 -6.858 13.827 6.736 1.00 0.00 O ATOM 0 H ASP A 40 -5.476 11.483 4.609 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.382 13.511 4.164 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.971 14.912 5.582 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.531 14.487 3.977 1.00 0.00 H new ATOM 641 N VAL A 41 -4.398 12.176 7.037 1.00 0.00 N ATOM 642 CA VAL A 41 -3.995 11.852 8.395 1.00 0.00 C ATOM 643 C VAL A 41 -3.687 10.356 8.489 1.00 0.00 C ATOM 644 O VAL A 41 -4.467 9.528 8.021 1.00 0.00 O ATOM 645 CB VAL A 41 -5.073 12.303 9.383 1.00 0.00 C ATOM 646 CG1 VAL A 41 -6.265 11.343 9.370 1.00 0.00 C ATOM 647 CG2 VAL A 41 -4.500 12.446 10.794 1.00 0.00 C ATOM 0 H VAL A 41 -5.339 11.872 6.787 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.084 12.389 8.660 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.428 13.283 9.065 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.017 11.686 10.081 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.698 11.314 8.370 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.931 10.344 9.650 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.287 12.768 11.476 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.103 11.486 11.125 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.700 13.186 10.789 1.00 0.00 H new ATOM 657 N CYS A 42 -2.549 10.056 9.096 1.00 0.00 N ATOM 658 CA CYS A 42 -2.128 8.674 9.256 1.00 0.00 C ATOM 659 C CYS A 42 -2.892 8.074 10.438 1.00 0.00 C ATOM 660 O CYS A 42 -2.771 8.549 11.566 1.00 0.00 O ATOM 661 CB CYS A 42 -0.613 8.562 9.440 1.00 0.00 C ATOM 662 SG CYS A 42 0.044 6.856 9.368 1.00 0.00 S ATOM 0 H CYS A 42 -1.905 10.746 9.483 1.00 0.00 H new ATOM 0 HA CYS A 42 -2.360 8.113 8.351 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.123 9.158 8.670 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.344 9.000 10.402 1.00 0.00 H new ATOM 667 N PRO A 43 -3.683 7.011 10.130 1.00 0.00 N ATOM 668 CA PRO A 43 -4.467 6.340 11.153 1.00 0.00 C ATOM 669 C PRO A 43 -3.578 5.467 12.041 1.00 0.00 C ATOM 670 O PRO A 43 -2.372 5.372 11.816 1.00 0.00 O ATOM 671 CB PRO A 43 -5.511 5.542 10.389 1.00 0.00 C ATOM 672 CG PRO A 43 -4.987 5.424 8.967 1.00 0.00 C ATOM 673 CD PRO A 43 -3.851 6.421 8.805 1.00 0.00 C ATOM 0 HA PRO A 43 -4.944 7.037 11.842 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -5.654 4.558 10.835 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -6.478 6.045 10.408 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -4.636 4.411 8.772 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -5.781 5.630 8.249 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -2.937 5.929 8.472 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -4.094 7.180 8.061 1.00 0.00 H new ATOM 681 N LYS A 44 -4.207 4.850 13.030 1.00 0.00 N ATOM 682 CA LYS A 44 -3.488 3.987 13.952 1.00 0.00 C ATOM 683 C LYS A 44 -3.495 2.555 13.414 1.00 0.00 C ATOM 684 O LYS A 44 -4.374 2.184 12.638 1.00 0.00 O ATOM 685 CB LYS A 44 -4.062 4.116 15.364 1.00 0.00 C ATOM 686 CG LYS A 44 -3.119 3.498 16.398 1.00 0.00 C ATOM 687 CD LYS A 44 -3.540 3.874 17.820 1.00 0.00 C ATOM 688 CE LYS A 44 -2.989 5.247 18.210 1.00 0.00 C ATOM 689 NZ LYS A 44 -3.393 5.595 19.591 1.00 0.00 N ATOM 0 H LYS A 44 -5.207 4.930 13.213 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.445 4.295 14.027 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.226 5.168 15.599 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.033 3.623 15.412 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.117 2.413 16.291 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.100 3.838 16.215 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.628 3.881 17.891 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.180 3.121 18.521 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -1.902 5.244 18.133 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.356 6.003 17.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.011 6.530 19.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.431 5.618 19.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.022 4.882 20.251 1.00 0.00 H new ATOM 703 N SER A 45 -2.505 1.789 13.848 1.00 0.00 N ATOM 704 CA SER A 45 -2.386 0.405 13.420 1.00 0.00 C ATOM 705 C SER A 45 -3.082 -0.515 14.425 1.00 0.00 C ATOM 706 O SER A 45 -3.311 -0.129 15.570 1.00 0.00 O ATOM 707 CB SER A 45 -0.919 0.003 13.259 1.00 0.00 C ATOM 708 OG SER A 45 -0.319 0.617 12.122 1.00 0.00 O ATOM 0 H SER A 45 -1.778 2.100 14.492 1.00 0.00 H new ATOM 0 HA SER A 45 -2.871 0.304 12.449 1.00 0.00 H new ATOM 0 HB2 SER A 45 -0.366 0.282 14.156 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.848 -1.081 13.165 1.00 0.00 H new ATOM 0 HG SER A 45 0.618 0.336 12.055 1.00 0.00 H new ATOM 714 N SER A 46 -3.398 -1.715 13.960 1.00 0.00 N ATOM 715 CA SER A 46 -4.063 -2.693 14.804 1.00 0.00 C ATOM 716 C SER A 46 -3.267 -4.000 14.816 1.00 0.00 C ATOM 717 O SER A 46 -2.196 -4.085 14.217 1.00 0.00 O ATOM 718 CB SER A 46 -5.495 -2.948 14.329 1.00 0.00 C ATOM 719 OG SER A 46 -5.530 -3.699 13.119 1.00 0.00 O ATOM 0 H SER A 46 -3.206 -2.032 13.010 1.00 0.00 H new ATOM 0 HA SER A 46 -4.111 -2.294 15.817 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.044 -3.483 15.104 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.002 -1.995 14.179 1.00 0.00 H new ATOM 0 HG SER A 46 -4.699 -3.554 12.620 1.00 0.00 H new ATOM 725 N LEU A 47 -3.822 -4.987 15.505 1.00 0.00 N ATOM 726 CA LEU A 47 -3.178 -6.285 15.603 1.00 0.00 C ATOM 727 C LEU A 47 -3.564 -7.134 14.390 1.00 0.00 C ATOM 728 O LEU A 47 -2.926 -8.148 14.109 1.00 0.00 O ATOM 729 CB LEU A 47 -3.503 -6.945 16.945 1.00 0.00 C ATOM 730 CG LEU A 47 -3.167 -6.127 18.193 1.00 0.00 C ATOM 731 CD1 LEU A 47 -3.668 -6.827 19.458 1.00 0.00 C ATOM 732 CD2 LEU A 47 -1.670 -5.821 18.262 1.00 0.00 C ATOM 0 H LEU A 47 -4.711 -4.913 16.000 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.094 -6.175 15.583 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.567 -7.179 16.964 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.967 -7.893 17.001 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.688 -5.172 18.126 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.416 -6.225 20.331 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.750 -6.950 19.402 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.195 -7.805 19.544 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.459 -5.239 19.159 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.109 -6.755 18.295 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.374 -5.251 17.381 1.00 0.00 H new ATOM 744 N LEU A 48 -4.607 -6.690 13.705 1.00 0.00 N ATOM 745 CA LEU A 48 -5.086 -7.396 12.529 1.00 0.00 C ATOM 746 C LEU A 48 -4.434 -6.799 11.280 1.00 0.00 C ATOM 747 O LEU A 48 -3.610 -7.447 10.635 1.00 0.00 O ATOM 748 CB LEU A 48 -6.615 -7.391 12.486 1.00 0.00 C ATOM 749 CG LEU A 48 -7.253 -7.968 11.221 1.00 0.00 C ATOM 750 CD1 LEU A 48 -6.871 -9.438 11.036 1.00 0.00 C ATOM 751 CD2 LEU A 48 -8.770 -7.767 11.231 1.00 0.00 C ATOM 0 H LEU A 48 -5.134 -5.850 13.942 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.795 -8.446 12.571 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.984 -7.953 13.344 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.959 -6.364 12.606 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.862 -7.423 10.362 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.338 -9.824 10.130 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.788 -9.525 10.952 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.215 -10.014 11.895 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.199 -8.186 10.321 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -9.198 -8.270 12.098 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.996 -6.702 11.281 1.00 0.00 H new ATOM 763 N VAL A 49 -4.827 -5.571 10.976 1.00 0.00 N ATOM 764 CA VAL A 49 -4.291 -4.880 9.816 1.00 0.00 C ATOM 765 C VAL A 49 -3.151 -3.959 10.257 1.00 0.00 C ATOM 766 O VAL A 49 -3.095 -3.547 11.415 1.00 0.00 O ATOM 767 CB VAL A 49 -5.411 -4.136 9.086 1.00 0.00 C ATOM 768 CG1 VAL A 49 -5.487 -2.677 9.538 1.00 0.00 C ATOM 769 CG2 VAL A 49 -5.235 -4.232 7.569 1.00 0.00 C ATOM 0 H VAL A 49 -5.510 -5.037 11.513 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.876 -5.594 9.105 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.355 -4.616 9.345 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.291 -2.172 9.003 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.683 -2.638 10.610 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.541 -2.180 9.324 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.044 -3.695 7.074 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -4.280 -3.791 7.285 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.256 -5.279 7.266 1.00 0.00 H new ATOM 779 N LYS A 50 -2.272 -3.664 9.312 1.00 0.00 N ATOM 780 CA LYS A 50 -1.137 -2.799 9.589 1.00 0.00 C ATOM 781 C LYS A 50 -1.125 -1.644 8.586 1.00 0.00 C ATOM 782 O LYS A 50 -0.924 -1.856 7.391 1.00 0.00 O ATOM 783 CB LYS A 50 0.161 -3.609 9.610 1.00 0.00 C ATOM 784 CG LYS A 50 1.334 -2.751 10.087 1.00 0.00 C ATOM 785 CD LYS A 50 2.606 -3.591 10.227 1.00 0.00 C ATOM 786 CE LYS A 50 3.157 -3.985 8.855 1.00 0.00 C ATOM 787 NZ LYS A 50 4.494 -4.604 8.992 1.00 0.00 N ATOM 0 H LYS A 50 -2.322 -4.008 8.353 1.00 0.00 H new ATOM 0 HA LYS A 50 -1.227 -2.358 10.582 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.045 -4.471 10.267 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.370 -3.994 8.612 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.506 -1.939 9.381 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.089 -2.293 11.045 1.00 0.00 H new ATOM 0 HD2 LYS A 50 3.359 -3.027 10.777 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.392 -4.488 10.808 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.475 -4.683 8.369 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.221 -3.104 8.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 4.854 -4.865 8.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.146 -3.927 9.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.423 -5.456 9.585 1.00 0.00 H new ATOM 801 N TYR A 51 -1.342 -0.446 9.109 1.00 0.00 N ATOM 802 CA TYR A 51 -1.358 0.743 8.274 1.00 0.00 C ATOM 803 C TYR A 51 -0.026 1.490 8.357 1.00 0.00 C ATOM 804 O TYR A 51 0.324 2.028 9.407 1.00 0.00 O ATOM 805 CB TYR A 51 -2.466 1.637 8.835 1.00 0.00 C ATOM 806 CG TYR A 51 -3.867 1.283 8.330 1.00 0.00 C ATOM 807 CD1 TYR A 51 -4.171 1.414 6.990 1.00 0.00 C ATOM 808 CD2 TYR A 51 -4.826 0.833 9.215 1.00 0.00 C ATOM 809 CE1 TYR A 51 -5.489 1.081 6.515 1.00 0.00 C ATOM 810 CE2 TYR A 51 -6.144 0.500 8.740 1.00 0.00 C ATOM 811 CZ TYR A 51 -6.410 0.641 7.414 1.00 0.00 C ATOM 812 OH TYR A 51 -7.655 0.326 6.965 1.00 0.00 O ATOM 0 H TYR A 51 -1.508 -0.273 10.100 1.00 0.00 H new ATOM 0 HA TYR A 51 -1.524 0.476 7.230 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.456 1.571 9.923 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.249 2.673 8.576 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -3.420 1.766 6.298 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -4.588 0.731 10.263 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -5.740 1.178 5.469 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -6.904 0.146 9.421 1.00 0.00 H new ATOM 0 HH TYR A 51 -7.599 0.010 6.039 1.00 0.00 H new ATOM 822 N VAL A 52 0.682 1.499 7.237 1.00 0.00 N ATOM 823 CA VAL A 52 1.969 2.171 7.170 1.00 0.00 C ATOM 824 C VAL A 52 1.859 3.382 6.241 1.00 0.00 C ATOM 825 O VAL A 52 1.336 3.273 5.133 1.00 0.00 O ATOM 826 CB VAL A 52 3.054 1.183 6.739 1.00 0.00 C ATOM 827 CG1 VAL A 52 4.420 1.867 6.661 1.00 0.00 C ATOM 828 CG2 VAL A 52 3.099 -0.025 7.677 1.00 0.00 C ATOM 0 H VAL A 52 0.389 1.052 6.368 1.00 0.00 H new ATOM 0 HA VAL A 52 2.258 2.541 8.154 1.00 0.00 H new ATOM 0 HB VAL A 52 2.802 0.824 5.741 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.173 1.142 6.352 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.379 2.679 5.935 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.682 2.268 7.640 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.879 -0.712 7.348 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.315 0.310 8.692 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.136 -0.535 7.660 1.00 0.00 H new ATOM 838 N CYS A 53 2.361 4.508 6.727 1.00 0.00 N ATOM 839 CA CYS A 53 2.327 5.737 5.953 1.00 0.00 C ATOM 840 C CYS A 53 3.767 6.165 5.667 1.00 0.00 C ATOM 841 O CYS A 53 4.664 5.918 6.472 1.00 0.00 O ATOM 842 CB CYS A 53 1.537 6.834 6.670 1.00 0.00 C ATOM 843 SG CYS A 53 -0.027 6.277 7.439 1.00 0.00 S ATOM 0 H CYS A 53 2.793 4.595 7.647 1.00 0.00 H new ATOM 0 HA CYS A 53 1.808 5.562 5.011 1.00 0.00 H new ATOM 0 HB2 CYS A 53 2.169 7.272 7.442 1.00 0.00 H new ATOM 0 HB3 CYS A 53 1.312 7.626 5.956 1.00 0.00 H new ATOM 848 N CYS A 54 3.945 6.800 4.518 1.00 0.00 N ATOM 849 CA CYS A 54 5.261 7.265 4.115 1.00 0.00 C ATOM 850 C CYS A 54 5.095 8.588 3.365 1.00 0.00 C ATOM 851 O CYS A 54 4.139 8.762 2.611 1.00 0.00 O ATOM 852 CB CYS A 54 5.997 6.221 3.274 1.00 0.00 C ATOM 853 SG CYS A 54 4.920 5.201 2.202 1.00 0.00 S ATOM 0 H CYS A 54 3.199 7.003 3.853 1.00 0.00 H new ATOM 0 HA CYS A 54 5.879 7.425 4.999 1.00 0.00 H new ATOM 0 HB2 CYS A 54 6.731 6.730 2.649 1.00 0.00 H new ATOM 0 HB3 CYS A 54 6.550 5.561 3.942 1.00 0.00 H new ATOM 858 N ASN A 55 6.040 9.487 3.597 1.00 0.00 N ATOM 859 CA ASN A 55 6.011 10.789 2.953 1.00 0.00 C ATOM 860 C ASN A 55 7.020 10.807 1.804 1.00 0.00 C ATOM 861 O ASN A 55 7.798 11.751 1.671 1.00 0.00 O ATOM 862 CB ASN A 55 6.391 11.898 3.935 1.00 0.00 C ATOM 863 CG ASN A 55 7.808 11.690 4.475 1.00 0.00 C ATOM 864 OD1 ASN A 55 8.348 10.597 4.468 1.00 0.00 O ATOM 865 ND2 ASN A 55 8.376 12.798 4.943 1.00 0.00 N ATOM 0 H ASN A 55 6.832 9.339 4.223 1.00 0.00 H new ATOM 0 HA ASN A 55 4.998 10.963 2.589 1.00 0.00 H new ATOM 0 HB2 ASN A 55 6.325 12.866 3.439 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.681 11.915 4.762 1.00 0.00 H new ATOM 0 HD21 ASN A 55 9.321 12.764 5.326 1.00 0.00 H new ATOM 0 HD22 ASN A 55 7.867 13.682 4.919 1.00 0.00 H new ATOM 872 N THR A 56 6.976 9.753 1.002 1.00 0.00 N ATOM 873 CA THR A 56 7.878 9.637 -0.131 1.00 0.00 C ATOM 874 C THR A 56 7.101 9.257 -1.394 1.00 0.00 C ATOM 875 O THR A 56 6.110 8.532 -1.322 1.00 0.00 O ATOM 876 CB THR A 56 8.971 8.631 0.235 1.00 0.00 C ATOM 877 OG1 THR A 56 8.329 7.735 1.140 1.00 0.00 O ATOM 878 CG2 THR A 56 10.091 9.260 1.066 1.00 0.00 C ATOM 0 H THR A 56 6.330 8.972 1.115 1.00 0.00 H new ATOM 0 HA THR A 56 8.356 10.591 -0.355 1.00 0.00 H new ATOM 0 HB THR A 56 9.391 8.204 -0.676 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.966 7.048 1.427 1.00 0.00 H new ATOM 0 HG21 THR A 56 10.840 8.503 1.299 1.00 0.00 H new ATOM 0 HG22 THR A 56 10.555 10.068 0.500 1.00 0.00 H new ATOM 0 HG23 THR A 56 9.677 9.658 1.993 1.00 0.00 H new ATOM 886 N ASP A 57 7.581 9.763 -2.520 1.00 0.00 N ATOM 887 CA ASP A 57 6.945 9.486 -3.796 1.00 0.00 C ATOM 888 C ASP A 57 7.066 7.993 -4.109 1.00 0.00 C ATOM 889 O ASP A 57 8.110 7.388 -3.868 1.00 0.00 O ATOM 890 CB ASP A 57 7.619 10.263 -4.929 1.00 0.00 C ATOM 891 CG ASP A 57 7.475 11.784 -4.845 1.00 0.00 C ATOM 892 OD1 ASP A 57 8.305 12.394 -4.137 1.00 0.00 O ATOM 893 OD2 ASP A 57 6.539 12.301 -5.492 1.00 0.00 O ATOM 0 H ASP A 57 8.404 10.364 -2.575 1.00 0.00 H new ATOM 0 HA ASP A 57 5.900 9.788 -3.724 1.00 0.00 H new ATOM 0 HB2 ASP A 57 8.680 10.014 -4.939 1.00 0.00 H new ATOM 0 HB3 ASP A 57 7.203 9.926 -5.878 1.00 0.00 H new ATOM 898 N LYS A 58 5.985 7.443 -4.640 1.00 0.00 N ATOM 899 CA LYS A 58 5.957 6.032 -4.988 1.00 0.00 C ATOM 900 C LYS A 58 6.601 5.221 -3.862 1.00 0.00 C ATOM 901 O LYS A 58 7.566 4.492 -4.091 1.00 0.00 O ATOM 902 CB LYS A 58 6.603 5.805 -6.357 1.00 0.00 C ATOM 903 CG LYS A 58 5.991 4.590 -7.057 1.00 0.00 C ATOM 904 CD LYS A 58 6.569 3.288 -6.500 1.00 0.00 C ATOM 905 CE LYS A 58 6.363 2.133 -7.482 1.00 0.00 C ATOM 906 NZ LYS A 58 7.441 2.117 -8.496 1.00 0.00 N ATOM 0 H LYS A 58 5.121 7.948 -4.838 1.00 0.00 H new ATOM 0 HA LYS A 58 4.929 5.683 -5.085 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.470 6.692 -6.977 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.676 5.658 -6.237 1.00 0.00 H new ATOM 0 HG2 LYS A 58 4.909 4.597 -6.926 1.00 0.00 H new ATOM 0 HG3 LYS A 58 6.183 4.648 -8.128 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.633 3.415 -6.300 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.092 3.051 -5.549 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.350 1.186 -6.942 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.395 2.233 -7.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.286 1.327 -9.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.435 3.014 -9.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.360 1.999 -8.024 1.00 0.00 H new ATOM 920 N CYS A 59 6.042 5.374 -2.671 1.00 0.00 N ATOM 921 CA CYS A 59 6.550 4.665 -1.509 1.00 0.00 C ATOM 922 C CYS A 59 5.657 3.448 -1.261 1.00 0.00 C ATOM 923 O CYS A 59 6.153 2.344 -1.041 1.00 0.00 O ATOM 924 CB CYS A 59 6.629 5.575 -0.281 1.00 0.00 C ATOM 925 SG CYS A 59 5.010 6.101 0.390 1.00 0.00 S ATOM 0 H CYS A 59 5.242 5.979 -2.485 1.00 0.00 H new ATOM 0 HA CYS A 59 7.571 4.333 -1.700 1.00 0.00 H new ATOM 0 HB2 CYS A 59 7.180 5.056 0.503 1.00 0.00 H new ATOM 0 HB3 CYS A 59 7.205 6.463 -0.541 1.00 0.00 H new ATOM 930 N ASN A 60 4.355 3.691 -1.304 1.00 0.00 N ATOM 931 CA ASN A 60 3.388 2.628 -1.086 1.00 0.00 C ATOM 932 C ASN A 60 3.235 1.812 -2.372 1.00 0.00 C ATOM 933 O ASN A 60 3.574 2.286 -3.455 1.00 0.00 O ATOM 934 CB ASN A 60 2.015 3.199 -0.723 1.00 0.00 C ATOM 935 CG ASN A 60 1.400 3.944 -1.909 1.00 0.00 C ATOM 936 OD1 ASN A 60 2.053 4.240 -2.896 1.00 0.00 O ATOM 937 ND2 ASN A 60 0.110 4.231 -1.757 1.00 0.00 N ATOM 0 H ASN A 60 3.947 4.608 -1.486 1.00 0.00 H new ATOM 0 HA ASN A 60 3.749 2.006 -0.267 1.00 0.00 H new ATOM 0 HB2 ASN A 60 1.352 2.391 -0.413 1.00 0.00 H new ATOM 0 HB3 ASN A 60 2.112 3.876 0.126 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.392 4.728 -2.493 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -0.377 3.954 -0.905 1.00 0.00 H new