USER MOD reduce.3.24.130724 H: found=0, std=0, add=418, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 418 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 22 ASN : amide:sc= -6.57! C(o=-7.1!,f=-10!) USER MOD Set 1.2: A 29 GLN : amide:sc= -0.539 K(o=-7.1,f=-13!) USER MOD Single : A 1 ASP N :NH3+ -144:sc= 0.775 (180deg=0.146) USER MOD Single : A 8 TYR OH : rot 155:sc= -1.47! USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 175:sc= 0.518 (180deg=0.421) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 44:sc= 0.0263 USER MOD Single : A 33 TYR OH : rot 180:sc= -0.19 USER MOD Single : A 39 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0452) USER MOD Single : A 41 ASN :FLIP amide:sc= -3.58! C(o=-5.9!,f=-3.6!) USER MOD Single : A 42 ASN :FLIP amide:sc= -3.08 F(o=-3.9!,f=-3.1) USER MOD Single : A 44 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0449) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 75:sc= 0.462 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -6.626 16.503 5.927 1.00 0.00 N ATOM 2 CA ASP A 1 -7.420 15.386 5.345 1.00 0.00 C ATOM 3 C ASP A 1 -6.636 14.652 4.257 1.00 0.00 C ATOM 4 O ASP A 1 -5.874 15.270 3.507 1.00 0.00 O ATOM 5 CB ASP A 1 -8.750 15.943 4.793 1.00 0.00 C ATOM 6 CG ASP A 1 -8.580 17.066 3.773 1.00 0.00 C ATOM 7 OD1 ASP A 1 -8.000 18.112 4.134 1.00 0.00 O ATOM 8 OD2 ASP A 1 -9.025 16.893 2.620 1.00 0.00 O ATOM 0 H1 ASP A 1 -6.829 16.580 6.944 1.00 0.00 H new ATOM 0 H2 ASP A 1 -5.612 16.317 5.790 1.00 0.00 H new ATOM 0 H3 ASP A 1 -6.881 17.394 5.454 1.00 0.00 H new ATOM 0 HA ASP A 1 -7.633 14.658 6.128 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -9.309 15.129 4.331 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -9.351 16.310 5.625 1.00 0.00 H new ATOM 15 N PHE A 2 -6.836 13.332 4.183 1.00 0.00 N ATOM 16 CA PHE A 2 -6.157 12.492 3.193 1.00 0.00 C ATOM 17 C PHE A 2 -7.172 11.807 2.256 1.00 0.00 C ATOM 18 O PHE A 2 -8.302 12.282 2.119 1.00 0.00 O ATOM 19 CB PHE A 2 -5.224 11.469 3.894 1.00 0.00 C ATOM 20 CG PHE A 2 -5.843 10.666 5.022 1.00 0.00 C ATOM 21 CD1 PHE A 2 -6.888 9.777 4.793 1.00 0.00 C ATOM 22 CD2 PHE A 2 -5.355 10.796 6.310 1.00 0.00 C ATOM 23 CE1 PHE A 2 -7.432 9.044 5.829 1.00 0.00 C ATOM 24 CE2 PHE A 2 -5.893 10.064 7.349 1.00 0.00 C ATOM 25 CZ PHE A 2 -6.935 9.186 7.109 1.00 0.00 C ATOM 0 H PHE A 2 -7.466 12.821 4.801 1.00 0.00 H new ATOM 0 HA PHE A 2 -5.531 13.129 2.568 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -4.851 10.774 3.142 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -4.361 12.006 4.288 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -7.278 9.659 3.793 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -4.542 11.480 6.505 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -8.246 8.360 5.638 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -5.501 10.177 8.349 1.00 0.00 H new ATOM 0 HZ PHE A 2 -7.358 8.613 7.921 1.00 0.00 H new ATOM 35 N CYS A 3 -6.746 10.695 1.603 1.00 0.00 N ATOM 36 CA CYS A 3 -7.577 9.911 0.651 1.00 0.00 C ATOM 37 C CYS A 3 -7.767 10.647 -0.684 1.00 0.00 C ATOM 38 O CYS A 3 -7.517 10.077 -1.749 1.00 0.00 O ATOM 39 CB CYS A 3 -8.943 9.516 1.247 1.00 0.00 C ATOM 40 SG CYS A 3 -8.875 8.154 2.465 1.00 0.00 S ATOM 0 H CYS A 3 -5.808 10.314 1.723 1.00 0.00 H new ATOM 0 HA CYS A 3 -7.024 8.992 0.458 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -9.384 10.391 1.724 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -9.609 9.227 0.434 1.00 0.00 H new ATOM 45 N LEU A 4 -8.198 11.916 -0.613 1.00 0.00 N ATOM 46 CA LEU A 4 -8.417 12.750 -1.806 1.00 0.00 C ATOM 47 C LEU A 4 -7.101 13.337 -2.345 1.00 0.00 C ATOM 48 O LEU A 4 -7.095 14.022 -3.375 1.00 0.00 O ATOM 49 CB LEU A 4 -9.416 13.886 -1.485 1.00 0.00 C ATOM 50 CG LEU A 4 -10.931 13.558 -1.572 1.00 0.00 C ATOM 51 CD1 LEU A 4 -11.360 13.283 -3.010 1.00 0.00 C ATOM 52 CD2 LEU A 4 -11.317 12.384 -0.673 1.00 0.00 C ATOM 0 H LEU A 4 -8.403 12.391 0.266 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.834 12.110 -2.584 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -9.207 14.242 -0.476 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.212 14.714 -2.164 1.00 0.00 H new ATOM 0 HG LEU A 4 -11.461 14.441 -1.215 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -12.426 13.057 -3.035 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.161 14.162 -3.623 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.800 12.434 -3.401 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -12.386 12.190 -0.766 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.760 11.497 -0.974 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -11.081 12.626 0.363 1.00 0.00 H new ATOM 64 N GLU A 5 -5.995 13.051 -1.646 1.00 0.00 N ATOM 65 CA GLU A 5 -4.665 13.529 -2.042 1.00 0.00 C ATOM 66 C GLU A 5 -3.939 12.474 -2.895 1.00 0.00 C ATOM 67 O GLU A 5 -4.249 11.284 -2.787 1.00 0.00 O ATOM 68 CB GLU A 5 -3.822 13.869 -0.800 1.00 0.00 C ATOM 69 CG GLU A 5 -4.332 15.066 0.011 1.00 0.00 C ATOM 70 CD GLU A 5 -4.158 16.420 -0.682 1.00 0.00 C ATOM 71 OE1 GLU A 5 -3.633 16.461 -1.819 1.00 0.00 O ATOM 72 OE2 GLU A 5 -4.552 17.440 -0.080 1.00 0.00 O ATOM 0 H GLU A 5 -5.997 12.486 -0.797 1.00 0.00 H new ATOM 0 HA GLU A 5 -4.795 14.432 -2.639 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -3.788 12.995 -0.150 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -2.799 14.071 -1.116 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.389 14.917 0.230 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -3.809 15.091 0.967 1.00 0.00 H new ATOM 79 N PRO A 6 -2.962 12.884 -3.765 1.00 0.00 N ATOM 80 CA PRO A 6 -2.214 11.946 -4.631 1.00 0.00 C ATOM 81 C PRO A 6 -1.303 10.993 -3.837 1.00 0.00 C ATOM 82 O PRO A 6 -0.800 11.370 -2.775 1.00 0.00 O ATOM 83 CB PRO A 6 -1.365 12.861 -5.527 1.00 0.00 C ATOM 84 CG PRO A 6 -1.955 14.222 -5.379 1.00 0.00 C ATOM 85 CD PRO A 6 -2.512 14.276 -3.988 1.00 0.00 C ATOM 0 HA PRO A 6 -2.894 11.297 -5.182 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -0.319 12.851 -5.219 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -1.395 12.531 -6.565 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -1.200 14.994 -5.528 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -2.736 14.392 -6.120 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -1.758 14.580 -3.261 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -3.335 14.986 -3.909 1.00 0.00 H new ATOM 93 N PRO A 7 -1.079 9.735 -4.334 1.00 0.00 N ATOM 94 CA PRO A 7 -0.229 8.726 -3.660 1.00 0.00 C ATOM 95 C PRO A 7 1.221 9.180 -3.443 1.00 0.00 C ATOM 96 O PRO A 7 1.826 9.797 -4.325 1.00 0.00 O ATOM 97 CB PRO A 7 -0.290 7.534 -4.627 1.00 0.00 C ATOM 98 CG PRO A 7 -0.632 8.130 -5.936 1.00 0.00 C ATOM 99 CD PRO A 7 -1.637 9.170 -5.585 1.00 0.00 C ATOM 0 HA PRO A 7 -0.583 8.511 -2.652 1.00 0.00 H new ATOM 0 HB2 PRO A 7 0.664 7.008 -4.668 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.041 6.808 -4.314 1.00 0.00 H new ATOM 0 HG2 PRO A 7 0.242 8.563 -6.422 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -1.043 7.388 -6.621 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -1.732 9.925 -6.366 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -2.628 8.743 -5.432 1.00 0.00 H new ATOM 107 N TYR A 8 1.756 8.863 -2.259 1.00 0.00 N ATOM 108 CA TYR A 8 3.124 9.224 -1.895 1.00 0.00 C ATOM 109 C TYR A 8 3.883 7.987 -1.385 1.00 0.00 C ATOM 110 O TYR A 8 3.788 7.622 -0.207 1.00 0.00 O ATOM 111 CB TYR A 8 3.098 10.354 -0.837 1.00 0.00 C ATOM 112 CG TYR A 8 4.457 10.925 -0.444 1.00 0.00 C ATOM 113 CD1 TYR A 8 5.341 11.427 -1.398 1.00 0.00 C ATOM 114 CD2 TYR A 8 4.847 10.963 0.890 1.00 0.00 C ATOM 115 CE1 TYR A 8 6.569 11.946 -1.032 1.00 0.00 C ATOM 116 CE2 TYR A 8 6.073 11.481 1.263 1.00 0.00 C ATOM 117 CZ TYR A 8 6.930 11.969 0.298 1.00 0.00 C ATOM 118 OH TYR A 8 8.150 12.486 0.665 1.00 0.00 O ATOM 0 H TYR A 8 1.254 8.352 -1.533 1.00 0.00 H new ATOM 0 HA TYR A 8 3.652 9.593 -2.774 1.00 0.00 H new ATOM 0 HB2 TYR A 8 2.479 11.167 -1.216 1.00 0.00 H new ATOM 0 HB3 TYR A 8 2.611 9.974 0.061 1.00 0.00 H new ATOM 0 HD1 TYR A 8 5.062 11.410 -2.441 1.00 0.00 H new ATOM 0 HD2 TYR A 8 4.180 10.581 1.649 1.00 0.00 H new ATOM 0 HE1 TYR A 8 7.242 12.331 -1.784 1.00 0.00 H new ATOM 0 HE2 TYR A 8 6.359 11.504 2.304 1.00 0.00 H new ATOM 0 HH TYR A 8 8.107 12.800 1.592 1.00 0.00 H new ATOM 128 N THR A 9 4.626 7.344 -2.296 1.00 0.00 N ATOM 129 CA THR A 9 5.402 6.145 -1.970 1.00 0.00 C ATOM 130 C THR A 9 6.859 6.518 -1.634 1.00 0.00 C ATOM 131 O THR A 9 7.272 6.422 -0.475 1.00 0.00 O ATOM 132 CB THR A 9 5.327 5.135 -3.141 1.00 0.00 C ATOM 133 OG1 THR A 9 3.979 4.903 -3.510 1.00 0.00 O ATOM 134 CG2 THR A 9 5.946 3.778 -2.842 1.00 0.00 C ATOM 0 H THR A 9 4.704 7.638 -3.269 1.00 0.00 H new ATOM 0 HA THR A 9 4.975 5.671 -1.086 1.00 0.00 H new ATOM 0 HB THR A 9 5.901 5.602 -3.942 1.00 0.00 H new ATOM 0 HG1 THR A 9 3.948 4.264 -4.252 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.849 3.134 -3.716 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.001 3.905 -2.599 1.00 0.00 H new ATOM 0 HG23 THR A 9 5.432 3.322 -1.996 1.00 0.00 H new ATOM 142 N GLY A 10 7.624 6.929 -2.656 1.00 0.00 N ATOM 143 CA GLY A 10 9.019 7.295 -2.462 1.00 0.00 C ATOM 144 C GLY A 10 9.974 6.224 -2.988 1.00 0.00 C ATOM 145 O GLY A 10 9.556 5.075 -3.163 1.00 0.00 O ATOM 0 H GLY A 10 7.295 7.013 -3.618 1.00 0.00 H new ATOM 0 HA2 GLY A 10 9.219 8.239 -2.969 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.206 7.457 -1.401 1.00 0.00 H new ATOM 149 N PRO A 11 11.273 6.560 -3.261 1.00 0.00 N ATOM 150 CA PRO A 11 12.260 5.593 -3.777 1.00 0.00 C ATOM 151 C PRO A 11 12.756 4.615 -2.697 1.00 0.00 C ATOM 152 O PRO A 11 13.941 4.604 -2.334 1.00 0.00 O ATOM 153 CB PRO A 11 13.411 6.484 -4.298 1.00 0.00 C ATOM 154 CG PRO A 11 12.926 7.894 -4.183 1.00 0.00 C ATOM 155 CD PRO A 11 11.885 7.892 -3.105 1.00 0.00 C ATOM 0 HA PRO A 11 11.832 4.951 -4.546 1.00 0.00 H new ATOM 0 HB2 PRO A 11 14.317 6.334 -3.711 1.00 0.00 H new ATOM 0 HB3 PRO A 11 13.657 6.239 -5.331 1.00 0.00 H new ATOM 0 HG2 PRO A 11 13.745 8.568 -3.932 1.00 0.00 H new ATOM 0 HG3 PRO A 11 12.507 8.240 -5.128 1.00 0.00 H new ATOM 0 HD2 PRO A 11 12.324 8.025 -2.116 1.00 0.00 H new ATOM 0 HD3 PRO A 11 11.157 8.692 -3.241 1.00 0.00 H new ATOM 163 N CYS A 12 11.828 3.794 -2.189 1.00 0.00 N ATOM 164 CA CYS A 12 12.141 2.806 -1.155 1.00 0.00 C ATOM 165 C CYS A 12 11.564 1.432 -1.523 1.00 0.00 C ATOM 166 O CYS A 12 12.322 0.488 -1.765 1.00 0.00 O ATOM 167 CB CYS A 12 11.622 3.290 0.209 1.00 0.00 C ATOM 168 SG CYS A 12 12.269 4.923 0.695 1.00 0.00 S ATOM 0 H CYS A 12 10.851 3.797 -2.481 1.00 0.00 H new ATOM 0 HA CYS A 12 13.223 2.696 -1.086 1.00 0.00 H new ATOM 0 HB2 CYS A 12 10.533 3.333 0.180 1.00 0.00 H new ATOM 0 HB3 CYS A 12 11.892 2.559 0.972 1.00 0.00 H new ATOM 173 N LYS A 13 10.213 1.327 -1.576 1.00 0.00 N ATOM 174 CA LYS A 13 9.489 0.080 -1.927 1.00 0.00 C ATOM 175 C LYS A 13 9.930 -1.115 -1.064 1.00 0.00 C ATOM 176 O LYS A 13 10.841 -1.870 -1.430 1.00 0.00 O ATOM 177 CB LYS A 13 9.630 -0.257 -3.434 1.00 0.00 C ATOM 178 CG LYS A 13 8.918 0.714 -4.377 1.00 0.00 C ATOM 179 CD LYS A 13 9.719 1.990 -4.611 1.00 0.00 C ATOM 180 CE LYS A 13 8.995 2.937 -5.556 1.00 0.00 C ATOM 181 NZ LYS A 13 9.771 4.185 -5.794 1.00 0.00 N ATOM 0 H LYS A 13 9.591 2.110 -1.375 1.00 0.00 H new ATOM 0 HA LYS A 13 8.436 0.267 -1.715 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.689 -0.279 -3.690 1.00 0.00 H new ATOM 0 HB3 LYS A 13 9.240 -1.260 -3.606 1.00 0.00 H new ATOM 0 HG2 LYS A 13 8.737 0.221 -5.332 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.944 0.971 -3.961 1.00 0.00 H new ATOM 0 HD2 LYS A 13 9.896 2.490 -3.659 1.00 0.00 H new ATOM 0 HD3 LYS A 13 10.695 1.737 -5.025 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.815 2.434 -6.506 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.020 3.190 -5.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.285 4.765 -6.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 9.848 4.721 -4.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 10.723 3.942 -6.135 1.00 0.00 H new ATOM 195 N ALA A 14 9.280 -1.256 0.095 1.00 0.00 N ATOM 196 CA ALA A 14 9.588 -2.332 1.043 1.00 0.00 C ATOM 197 C ALA A 14 8.800 -3.621 0.739 1.00 0.00 C ATOM 198 O ALA A 14 8.209 -4.231 1.635 1.00 0.00 O ATOM 199 CB ALA A 14 9.334 -1.853 2.469 1.00 0.00 C ATOM 0 H ALA A 14 8.532 -0.634 0.401 1.00 0.00 H new ATOM 0 HA ALA A 14 10.643 -2.583 0.935 1.00 0.00 H new ATOM 0 HB1 ALA A 14 9.564 -2.656 3.169 1.00 0.00 H new ATOM 0 HB2 ALA A 14 9.968 -0.993 2.682 1.00 0.00 H new ATOM 0 HB3 ALA A 14 8.288 -1.568 2.576 1.00 0.00 H new ATOM 205 N ARG A 15 8.831 -4.038 -0.547 1.00 0.00 N ATOM 206 CA ARG A 15 8.160 -5.272 -1.061 1.00 0.00 C ATOM 207 C ARG A 15 6.728 -5.494 -0.518 1.00 0.00 C ATOM 208 O ARG A 15 6.306 -6.632 -0.279 1.00 0.00 O ATOM 209 CB ARG A 15 9.044 -6.533 -0.832 1.00 0.00 C ATOM 210 CG ARG A 15 9.425 -6.816 0.627 1.00 0.00 C ATOM 211 CD ARG A 15 9.045 -8.226 1.054 1.00 0.00 C ATOM 212 NE ARG A 15 7.602 -8.361 1.295 1.00 0.00 N ATOM 213 CZ ARG A 15 6.990 -9.502 1.646 1.00 0.00 C ATOM 214 NH1 ARG A 15 7.675 -10.633 1.798 1.00 0.00 N ATOM 215 NH2 ARG A 15 5.679 -9.506 1.845 1.00 0.00 N ATOM 0 H ARG A 15 9.328 -3.525 -1.275 1.00 0.00 H new ATOM 0 HA ARG A 15 8.044 -5.109 -2.132 1.00 0.00 H new ATOM 0 HB2 ARG A 15 8.517 -7.402 -1.227 1.00 0.00 H new ATOM 0 HB3 ARG A 15 9.959 -6.424 -1.414 1.00 0.00 H new ATOM 0 HG2 ARG A 15 10.498 -6.676 0.755 1.00 0.00 H new ATOM 0 HG3 ARG A 15 8.930 -6.095 1.277 1.00 0.00 H new ATOM 0 HD2 ARG A 15 9.351 -8.933 0.282 1.00 0.00 H new ATOM 0 HD3 ARG A 15 9.590 -8.489 1.961 1.00 0.00 H new ATOM 0 HE ARG A 15 7.024 -7.527 1.188 1.00 0.00 H new ATOM 0 HH11 ARG A 15 8.684 -10.642 1.647 1.00 0.00 H new ATOM 0 HH12 ARG A 15 7.191 -11.490 2.065 1.00 0.00 H new ATOM 0 HH21 ARG A 15 5.143 -8.646 1.731 1.00 0.00 H new ATOM 0 HH22 ARG A 15 5.206 -10.370 2.112 1.00 0.00 H new ATOM 229 N ILE A 16 5.990 -4.402 -0.343 1.00 0.00 N ATOM 230 CA ILE A 16 4.612 -4.468 0.158 1.00 0.00 C ATOM 231 C ILE A 16 3.694 -3.607 -0.719 1.00 0.00 C ATOM 232 O ILE A 16 4.083 -2.526 -1.146 1.00 0.00 O ATOM 233 CB ILE A 16 4.523 -4.025 1.658 1.00 0.00 C ATOM 234 CG1 ILE A 16 5.429 -4.915 2.540 1.00 0.00 C ATOM 235 CG2 ILE A 16 3.074 -4.080 2.170 1.00 0.00 C ATOM 236 CD1 ILE A 16 5.838 -4.281 3.861 1.00 0.00 C ATOM 0 H ILE A 16 6.320 -3.457 -0.540 1.00 0.00 H new ATOM 0 HA ILE A 16 4.281 -5.505 0.106 1.00 0.00 H new ATOM 0 HB ILE A 16 4.869 -2.993 1.720 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.909 -5.851 2.746 1.00 0.00 H new ATOM 0 HG13 ILE A 16 6.328 -5.167 1.978 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.045 -3.767 3.214 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.452 -3.413 1.574 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.697 -5.099 2.086 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.472 -4.973 4.416 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.388 -3.360 3.668 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.947 -4.055 4.447 1.00 0.00 H new ATOM 248 N ILE A 17 2.475 -4.103 -0.956 1.00 0.00 N ATOM 249 CA ILE A 17 1.465 -3.403 -1.765 1.00 0.00 C ATOM 250 C ILE A 17 0.259 -3.102 -0.880 1.00 0.00 C ATOM 251 O ILE A 17 -0.555 -3.974 -0.559 1.00 0.00 O ATOM 252 CB ILE A 17 1.037 -4.244 -3.024 1.00 0.00 C ATOM 253 CG1 ILE A 17 2.246 -4.583 -3.919 1.00 0.00 C ATOM 254 CG2 ILE A 17 -0.020 -3.524 -3.861 1.00 0.00 C ATOM 255 CD1 ILE A 17 3.017 -5.817 -3.488 1.00 0.00 C ATOM 0 H ILE A 17 2.158 -5.002 -0.593 1.00 0.00 H new ATOM 0 HA ILE A 17 1.894 -2.475 -2.141 1.00 0.00 H new ATOM 0 HB ILE A 17 0.608 -5.169 -2.638 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.897 -4.726 -4.942 1.00 0.00 H new ATOM 0 HG13 ILE A 17 2.925 -3.730 -3.930 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.286 -4.140 -4.720 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -0.907 -3.347 -3.253 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.378 -2.571 -4.208 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.850 -5.983 -4.171 1.00 0.00 H new ATOM 0 HD12 ILE A 17 3.400 -5.672 -2.478 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.356 -6.683 -3.505 1.00 0.00 H new ATOM 267 N ARG A 18 0.200 -1.842 -0.497 1.00 0.00 N ATOM 268 CA ARG A 18 -0.831 -1.289 0.357 1.00 0.00 C ATOM 269 C ARG A 18 -2.011 -0.743 -0.468 1.00 0.00 C ATOM 270 O ARG A 18 -2.092 -0.993 -1.671 1.00 0.00 O ATOM 271 CB ARG A 18 -0.163 -0.192 1.166 1.00 0.00 C ATOM 272 CG ARG A 18 0.115 -0.576 2.609 1.00 0.00 C ATOM 273 CD ARG A 18 0.553 0.625 3.433 1.00 0.00 C ATOM 274 NE ARG A 18 0.785 0.272 4.838 1.00 0.00 N ATOM 275 CZ ARG A 18 1.068 1.152 5.810 1.00 0.00 C ATOM 276 NH1 ARG A 18 1.135 2.458 5.558 1.00 0.00 N ATOM 277 NH2 ARG A 18 1.277 0.717 7.045 1.00 0.00 N ATOM 0 H ARG A 18 0.894 -1.151 -0.782 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.255 -2.054 1.008 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.776 0.080 0.685 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -0.797 0.694 1.152 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -0.781 -1.013 3.049 1.00 0.00 H new ATOM 0 HG3 ARG A 18 0.890 -1.341 2.640 1.00 0.00 H new ATOM 0 HD2 ARG A 18 1.466 1.042 3.008 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -0.209 1.402 3.375 1.00 0.00 H new ATOM 0 HE ARG A 18 0.727 -0.714 5.094 1.00 0.00 H new ATOM 0 HH11 ARG A 18 0.970 2.804 4.613 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.352 3.112 6.310 1.00 0.00 H new ATOM 0 HH21 ARG A 18 1.222 -0.281 7.250 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.493 1.380 7.790 1.00 0.00 H new ATOM 291 N TYR A 19 -2.920 -0.006 0.187 1.00 0.00 N ATOM 292 CA TYR A 19 -4.093 0.571 -0.482 1.00 0.00 C ATOM 293 C TYR A 19 -4.157 2.083 -0.263 1.00 0.00 C ATOM 294 O TYR A 19 -3.588 2.598 0.706 1.00 0.00 O ATOM 295 CB TYR A 19 -5.388 -0.073 0.048 1.00 0.00 C ATOM 296 CG TYR A 19 -5.569 -1.544 -0.292 1.00 0.00 C ATOM 297 CD1 TYR A 19 -4.713 -2.519 0.212 1.00 0.00 C ATOM 298 CD2 TYR A 19 -6.620 -1.954 -1.101 1.00 0.00 C ATOM 299 CE1 TYR A 19 -4.898 -3.856 -0.086 1.00 0.00 C ATOM 300 CE2 TYR A 19 -6.813 -3.290 -1.401 1.00 0.00 C ATOM 301 CZ TYR A 19 -5.949 -4.236 -0.892 1.00 0.00 C ATOM 302 OH TYR A 19 -6.139 -5.566 -1.188 1.00 0.00 O ATOM 0 H TYR A 19 -2.864 0.205 1.183 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.998 0.370 -1.549 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -5.412 0.038 1.132 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -6.239 0.482 -0.348 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.890 -2.226 0.847 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -7.299 -1.217 -1.503 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.222 -4.599 0.311 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -7.637 -3.591 -2.031 1.00 0.00 H new ATOM 0 HH TYR A 19 -6.924 -5.663 -1.766 1.00 0.00 H new ATOM 312 N PHE A 20 -4.892 2.789 -1.146 1.00 0.00 N ATOM 313 CA PHE A 20 -5.081 4.250 -1.031 1.00 0.00 C ATOM 314 C PHE A 20 -6.357 4.668 -1.786 1.00 0.00 C ATOM 315 O PHE A 20 -6.910 3.869 -2.541 1.00 0.00 O ATOM 316 CB PHE A 20 -3.826 5.028 -1.523 1.00 0.00 C ATOM 317 CG PHE A 20 -3.723 5.273 -3.011 1.00 0.00 C ATOM 318 CD1 PHE A 20 -3.338 4.265 -3.880 1.00 0.00 C ATOM 319 CD2 PHE A 20 -3.994 6.530 -3.527 1.00 0.00 C ATOM 320 CE1 PHE A 20 -3.228 4.507 -5.237 1.00 0.00 C ATOM 321 CE2 PHE A 20 -3.886 6.777 -4.881 1.00 0.00 C ATOM 322 CZ PHE A 20 -3.502 5.765 -5.736 1.00 0.00 C ATOM 0 H PHE A 20 -5.365 2.371 -1.947 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.207 4.509 0.020 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.803 5.993 -1.016 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -2.939 4.480 -1.206 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.122 3.280 -3.494 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -4.293 7.326 -2.862 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -2.928 3.713 -5.905 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -4.102 7.761 -5.270 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.416 5.957 -6.795 1.00 0.00 H new ATOM 332 N TYR A 21 -6.803 5.922 -1.600 1.00 0.00 N ATOM 333 CA TYR A 21 -8.002 6.412 -2.296 1.00 0.00 C ATOM 334 C TYR A 21 -7.626 7.146 -3.580 1.00 0.00 C ATOM 335 O TYR A 21 -6.964 8.189 -3.542 1.00 0.00 O ATOM 336 CB TYR A 21 -8.874 7.341 -1.418 1.00 0.00 C ATOM 337 CG TYR A 21 -10.133 7.842 -2.123 1.00 0.00 C ATOM 338 CD1 TYR A 21 -11.147 6.964 -2.496 1.00 0.00 C ATOM 339 CD2 TYR A 21 -10.291 9.187 -2.435 1.00 0.00 C ATOM 340 CE1 TYR A 21 -12.277 7.410 -3.152 1.00 0.00 C ATOM 341 CE2 TYR A 21 -11.422 9.641 -3.092 1.00 0.00 C ATOM 342 CZ TYR A 21 -12.409 8.748 -3.448 1.00 0.00 C ATOM 343 OH TYR A 21 -13.534 9.196 -4.102 1.00 0.00 O ATOM 0 H TYR A 21 -6.359 6.604 -0.984 1.00 0.00 H new ATOM 0 HA TYR A 21 -8.592 5.526 -2.532 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -9.163 6.806 -0.513 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -8.277 8.198 -1.106 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -11.048 5.913 -2.268 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -9.518 9.890 -2.160 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -13.053 6.713 -3.431 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -11.530 10.690 -3.324 1.00 0.00 H new ATOM 0 HH TYR A 21 -13.472 10.165 -4.234 1.00 0.00 H new ATOM 353 N ASN A 22 -8.064 6.591 -4.710 1.00 0.00 N ATOM 354 CA ASN A 22 -7.799 7.175 -6.005 1.00 0.00 C ATOM 355 C ASN A 22 -9.018 7.976 -6.464 1.00 0.00 C ATOM 356 O ASN A 22 -9.869 7.452 -7.196 1.00 0.00 O ATOM 357 CB ASN A 22 -7.496 6.094 -7.055 1.00 0.00 C ATOM 358 CG ASN A 22 -6.834 4.831 -6.515 1.00 0.00 C ATOM 359 OD1 ASN A 22 -7.321 4.210 -5.568 1.00 0.00 O ATOM 360 ND2 ASN A 22 -5.737 4.428 -7.140 1.00 0.00 N ATOM 0 H ASN A 22 -8.608 5.729 -4.744 1.00 0.00 H new ATOM 0 HA ASN A 22 -6.928 7.824 -5.908 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -8.429 5.815 -7.545 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -6.850 6.525 -7.820 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.264 3.575 -6.841 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -5.366 4.971 -7.920 1.00 0.00 H new ATOM 367 N ALA A 23 -9.135 9.239 -6.011 1.00 0.00 N ATOM 368 CA ALA A 23 -10.276 10.109 -6.365 1.00 0.00 C ATOM 369 C ALA A 23 -10.469 10.267 -7.891 1.00 0.00 C ATOM 370 O ALA A 23 -11.438 10.891 -8.338 1.00 0.00 O ATOM 371 CB ALA A 23 -10.094 11.473 -5.713 1.00 0.00 C ATOM 0 H ALA A 23 -8.451 9.682 -5.397 1.00 0.00 H new ATOM 0 HA ALA A 23 -11.179 9.627 -5.989 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -10.935 12.116 -5.973 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -10.049 11.356 -4.630 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -9.168 11.925 -6.068 1.00 0.00 H new ATOM 377 N LYS A 24 -9.556 9.666 -8.673 1.00 0.00 N ATOM 378 CA LYS A 24 -9.622 9.697 -10.134 1.00 0.00 C ATOM 379 C LYS A 24 -10.293 8.415 -10.653 1.00 0.00 C ATOM 380 O LYS A 24 -10.938 8.424 -11.705 1.00 0.00 O ATOM 381 CB LYS A 24 -8.208 9.848 -10.721 1.00 0.00 C ATOM 382 CG LYS A 24 -8.174 10.287 -12.182 1.00 0.00 C ATOM 383 CD LYS A 24 -6.747 10.414 -12.692 1.00 0.00 C ATOM 384 CE LYS A 24 -6.713 10.853 -14.147 1.00 0.00 C ATOM 385 NZ LYS A 24 -5.319 10.982 -14.656 1.00 0.00 N ATOM 0 H LYS A 24 -8.757 9.149 -8.307 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.219 10.553 -10.450 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.656 10.573 -10.124 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.686 8.896 -10.629 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.717 9.566 -12.793 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.686 11.243 -12.288 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.204 11.134 -12.081 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.235 9.457 -12.587 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.257 10.131 -14.757 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.227 11.809 -14.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.339 11.283 -15.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.807 11.689 -14.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.836 10.064 -14.582 1.00 0.00 H new ATOM 399 N ALA A 25 -10.126 7.323 -9.892 1.00 0.00 N ATOM 400 CA ALA A 25 -10.697 6.019 -10.235 1.00 0.00 C ATOM 401 C ALA A 25 -12.098 5.837 -9.644 1.00 0.00 C ATOM 402 O ALA A 25 -12.950 5.192 -10.264 1.00 0.00 O ATOM 403 CB ALA A 25 -9.778 4.905 -9.759 1.00 0.00 C ATOM 0 H ALA A 25 -9.591 7.323 -9.023 1.00 0.00 H new ATOM 0 HA ALA A 25 -10.789 5.974 -11.320 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.212 3.939 -10.019 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.805 5.006 -10.239 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.658 4.969 -8.678 1.00 0.00 H new ATOM 409 N GLY A 26 -12.336 6.418 -8.456 1.00 0.00 N ATOM 410 CA GLY A 26 -13.644 6.318 -7.818 1.00 0.00 C ATOM 411 C GLY A 26 -13.638 5.569 -6.490 1.00 0.00 C ATOM 412 O GLY A 26 -14.606 5.664 -5.730 1.00 0.00 O ATOM 0 H GLY A 26 -11.645 6.953 -7.930 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.033 7.323 -7.653 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -14.331 5.818 -8.501 1.00 0.00 H new ATOM 416 N LEU A 27 -12.559 4.815 -6.208 1.00 0.00 N ATOM 417 CA LEU A 27 -12.446 4.036 -4.957 1.00 0.00 C ATOM 418 C LEU A 27 -10.974 3.797 -4.564 1.00 0.00 C ATOM 419 O LEU A 27 -10.062 4.391 -5.153 1.00 0.00 O ATOM 420 CB LEU A 27 -13.223 2.691 -5.079 1.00 0.00 C ATOM 421 CG LEU A 27 -13.020 1.877 -6.376 1.00 0.00 C ATOM 422 CD1 LEU A 27 -11.723 1.076 -6.341 1.00 0.00 C ATOM 423 CD2 LEU A 27 -14.206 0.954 -6.610 1.00 0.00 C ATOM 0 H LEU A 27 -11.753 4.728 -6.827 1.00 0.00 H new ATOM 0 HA LEU A 27 -12.899 4.622 -4.157 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -12.942 2.060 -4.236 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.287 2.904 -4.976 1.00 0.00 H new ATOM 0 HG LEU A 27 -12.949 2.583 -7.203 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -11.616 0.517 -7.270 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.879 1.756 -6.227 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.746 0.382 -5.501 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.050 0.386 -7.527 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -14.303 0.266 -5.770 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.116 1.547 -6.701 1.00 0.00 H new ATOM 435 N CYS A 28 -10.755 2.919 -3.562 1.00 0.00 N ATOM 436 CA CYS A 28 -9.410 2.580 -3.079 1.00 0.00 C ATOM 437 C CYS A 28 -8.755 1.533 -3.971 1.00 0.00 C ATOM 438 O CYS A 28 -9.419 0.593 -4.417 1.00 0.00 O ATOM 439 CB CYS A 28 -9.460 2.053 -1.644 1.00 0.00 C ATOM 440 SG CYS A 28 -9.752 3.330 -0.383 1.00 0.00 S ATOM 0 H CYS A 28 -11.504 2.431 -3.071 1.00 0.00 H new ATOM 0 HA CYS A 28 -8.818 3.495 -3.106 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -10.248 1.303 -1.573 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -8.519 1.549 -1.422 1.00 0.00 H new ATOM 445 N GLN A 29 -7.453 1.702 -4.229 1.00 0.00 N ATOM 446 CA GLN A 29 -6.716 0.768 -5.075 1.00 0.00 C ATOM 447 C GLN A 29 -5.398 0.317 -4.445 1.00 0.00 C ATOM 448 O GLN A 29 -4.849 0.977 -3.549 1.00 0.00 O ATOM 449 CB GLN A 29 -6.463 1.373 -6.462 1.00 0.00 C ATOM 450 CG GLN A 29 -7.677 1.303 -7.376 1.00 0.00 C ATOM 451 CD GLN A 29 -7.388 1.784 -8.787 1.00 0.00 C ATOM 452 OE1 GLN A 29 -7.059 2.948 -9.006 1.00 0.00 O ATOM 453 NE2 GLN A 29 -7.511 0.881 -9.754 1.00 0.00 N ATOM 0 H GLN A 29 -6.894 2.474 -3.864 1.00 0.00 H new ATOM 0 HA GLN A 29 -7.342 -0.118 -5.180 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.162 2.414 -6.348 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -5.631 0.850 -6.933 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -8.036 0.275 -7.415 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -8.480 1.905 -6.951 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -7.787 -0.075 -9.527 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -7.330 1.143 -10.723 1.00 0.00 H new ATOM 462 N THR A 30 -4.945 -0.848 -4.934 1.00 0.00 N ATOM 463 CA THR A 30 -3.713 -1.507 -4.471 1.00 0.00 C ATOM 464 C THR A 30 -2.462 -0.850 -5.060 1.00 0.00 C ATOM 465 O THR A 30 -2.370 -0.634 -6.272 1.00 0.00 O ATOM 466 CB THR A 30 -3.728 -2.998 -4.842 1.00 0.00 C ATOM 467 OG1 THR A 30 -3.995 -3.172 -6.223 1.00 0.00 O ATOM 468 CG2 THR A 30 -4.747 -3.811 -4.070 1.00 0.00 C ATOM 0 H THR A 30 -5.428 -1.364 -5.669 1.00 0.00 H new ATOM 0 HA THR A 30 -3.679 -1.399 -3.387 1.00 0.00 H new ATOM 0 HB THR A 30 -2.734 -3.361 -4.581 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.469 -2.528 -6.742 1.00 0.00 H new ATOM 0 HG21 THR A 30 -4.697 -4.853 -4.387 1.00 0.00 H new ATOM 0 HG22 THR A 30 -4.532 -3.746 -3.003 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.746 -3.420 -4.263 1.00 0.00 H new ATOM 476 N PHE A 31 -1.505 -0.536 -4.172 1.00 0.00 N ATOM 477 CA PHE A 31 -0.240 0.103 -4.552 1.00 0.00 C ATOM 478 C PHE A 31 0.877 -0.301 -3.574 1.00 0.00 C ATOM 479 O PHE A 31 0.611 -0.585 -2.415 1.00 0.00 O ATOM 480 CB PHE A 31 -0.404 1.642 -4.577 1.00 0.00 C ATOM 481 CG PHE A 31 -0.199 2.319 -3.243 1.00 0.00 C ATOM 482 CD1 PHE A 31 -1.197 2.330 -2.277 1.00 0.00 C ATOM 483 CD2 PHE A 31 1.013 2.919 -2.956 1.00 0.00 C ATOM 484 CE1 PHE A 31 -0.983 2.938 -1.055 1.00 0.00 C ATOM 485 CE2 PHE A 31 1.233 3.522 -1.740 1.00 0.00 C ATOM 486 CZ PHE A 31 0.234 3.535 -0.785 1.00 0.00 C ATOM 0 H PHE A 31 -1.589 -0.719 -3.172 1.00 0.00 H new ATOM 0 HA PHE A 31 0.035 -0.234 -5.551 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.305 2.058 -5.293 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.403 1.882 -4.941 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.147 1.860 -2.483 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.798 2.914 -3.697 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.766 2.947 -0.311 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.186 3.985 -1.531 1.00 0.00 H new ATOM 0 HZ PHE A 31 0.404 4.010 0.170 1.00 0.00 H new ATOM 496 N VAL A 32 2.115 -0.312 -4.065 1.00 0.00 N ATOM 497 CA VAL A 32 3.303 -0.678 -3.281 1.00 0.00 C ATOM 498 C VAL A 32 3.716 0.467 -2.344 1.00 0.00 C ATOM 499 O VAL A 32 3.932 1.595 -2.790 1.00 0.00 O ATOM 500 CB VAL A 32 4.510 -1.019 -4.221 1.00 0.00 C ATOM 501 CG1 VAL A 32 5.693 -1.605 -3.450 1.00 0.00 C ATOM 502 CG2 VAL A 32 4.095 -1.977 -5.335 1.00 0.00 C ATOM 0 H VAL A 32 2.329 -0.064 -5.031 1.00 0.00 H new ATOM 0 HA VAL A 32 3.042 -1.556 -2.690 1.00 0.00 H new ATOM 0 HB VAL A 32 4.829 -0.076 -4.666 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.505 -1.826 -4.143 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.035 -0.885 -2.707 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.383 -2.523 -2.950 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.955 -2.193 -5.969 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.724 -2.904 -4.898 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.309 -1.519 -5.935 1.00 0.00 H new ATOM 512 N TYR A 33 3.821 0.144 -1.052 1.00 0.00 N ATOM 513 CA TYR A 33 4.211 1.106 -0.022 1.00 0.00 C ATOM 514 C TYR A 33 5.670 0.876 0.384 1.00 0.00 C ATOM 515 O TYR A 33 6.196 -0.233 0.240 1.00 0.00 O ATOM 516 CB TYR A 33 3.274 0.968 1.197 1.00 0.00 C ATOM 517 CG TYR A 33 3.535 1.941 2.343 1.00 0.00 C ATOM 518 CD1 TYR A 33 3.436 3.321 2.168 1.00 0.00 C ATOM 519 CD2 TYR A 33 3.879 1.467 3.603 1.00 0.00 C ATOM 520 CE1 TYR A 33 3.673 4.191 3.217 1.00 0.00 C ATOM 521 CE2 TYR A 33 4.117 2.336 4.652 1.00 0.00 C ATOM 522 CZ TYR A 33 4.011 3.690 4.452 1.00 0.00 C ATOM 523 OH TYR A 33 4.242 4.550 5.495 1.00 0.00 O ATOM 0 H TYR A 33 3.638 -0.793 -0.692 1.00 0.00 H new ATOM 0 HA TYR A 33 4.122 2.118 -0.417 1.00 0.00 H new ATOM 0 HB2 TYR A 33 2.246 1.100 0.859 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.355 -0.049 1.582 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.170 3.716 1.199 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.962 0.403 3.766 1.00 0.00 H new ATOM 0 HE1 TYR A 33 3.593 5.258 3.067 1.00 0.00 H new ATOM 0 HE2 TYR A 33 4.385 1.951 5.625 1.00 0.00 H new ATOM 0 HH TYR A 33 4.469 4.037 6.298 1.00 0.00 H new ATOM 533 N GLY A 34 6.308 1.933 0.895 1.00 0.00 N ATOM 534 CA GLY A 34 7.695 1.846 1.322 1.00 0.00 C ATOM 535 C GLY A 34 7.837 1.824 2.831 1.00 0.00 C ATOM 536 O GLY A 34 8.396 0.877 3.392 1.00 0.00 O ATOM 0 H GLY A 34 5.883 2.852 1.020 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.144 0.945 0.905 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.249 2.694 0.920 1.00 0.00 H new ATOM 540 N GLY A 35 7.332 2.876 3.487 1.00 0.00 N ATOM 541 CA GLY A 35 7.409 2.976 4.943 1.00 0.00 C ATOM 542 C GLY A 35 8.702 3.619 5.428 1.00 0.00 C ATOM 543 O GLY A 35 9.065 3.478 6.600 1.00 0.00 O ATOM 0 H GLY A 35 6.869 3.663 3.033 1.00 0.00 H new ATOM 0 HA2 GLY A 35 6.562 3.557 5.307 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.321 1.979 5.375 1.00 0.00 H new ATOM 547 N CYS A 36 9.389 4.321 4.520 1.00 0.00 N ATOM 548 CA CYS A 36 10.650 4.994 4.834 1.00 0.00 C ATOM 549 C CYS A 36 10.419 6.463 5.199 1.00 0.00 C ATOM 550 O CYS A 36 11.075 6.991 6.101 1.00 0.00 O ATOM 551 CB CYS A 36 11.610 4.886 3.648 1.00 0.00 C ATOM 552 SG CYS A 36 10.955 5.577 2.096 1.00 0.00 S ATOM 0 H CYS A 36 9.087 4.437 3.553 1.00 0.00 H new ATOM 0 HA CYS A 36 11.093 4.500 5.699 1.00 0.00 H new ATOM 0 HB2 CYS A 36 12.539 5.399 3.898 1.00 0.00 H new ATOM 0 HB3 CYS A 36 11.858 3.837 3.490 1.00 0.00 H new ATOM 557 N ARG A 37 9.481 7.109 4.494 1.00 0.00 N ATOM 558 CA ARG A 37 9.149 8.516 4.737 1.00 0.00 C ATOM 559 C ARG A 37 7.631 8.684 4.965 1.00 0.00 C ATOM 560 O ARG A 37 7.059 9.733 4.646 1.00 0.00 O ATOM 561 CB ARG A 37 9.638 9.374 3.555 1.00 0.00 C ATOM 562 CG ARG A 37 9.818 10.852 3.887 1.00 0.00 C ATOM 563 CD ARG A 37 10.352 11.629 2.695 1.00 0.00 C ATOM 564 NE ARG A 37 10.528 13.054 3.002 1.00 0.00 N ATOM 565 CZ ARG A 37 10.984 13.971 2.137 1.00 0.00 C ATOM 566 NH1 ARG A 37 11.319 13.638 0.892 1.00 0.00 N ATOM 567 NH2 ARG A 37 11.103 15.234 2.524 1.00 0.00 N ATOM 0 H ARG A 37 8.937 6.676 3.748 1.00 0.00 H new ATOM 0 HA ARG A 37 9.655 8.854 5.641 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.588 8.975 3.199 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.926 9.282 2.735 1.00 0.00 H new ATOM 0 HG2 ARG A 37 8.863 11.275 4.200 1.00 0.00 H new ATOM 0 HG3 ARG A 37 10.504 10.956 4.728 1.00 0.00 H new ATOM 0 HD2 ARG A 37 11.306 11.205 2.384 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.666 11.521 1.855 1.00 0.00 H new ATOM 0 HE ARG A 37 10.286 13.369 3.941 1.00 0.00 H new ATOM 0 HH11 ARG A 37 11.231 12.670 0.582 1.00 0.00 H new ATOM 0 HH12 ARG A 37 11.664 14.351 0.249 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.848 15.502 3.475 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.449 15.937 1.871 1.00 0.00 H new ATOM 581 N ALA A 38 7.001 7.619 5.516 1.00 0.00 N ATOM 582 CA ALA A 38 5.548 7.545 5.818 1.00 0.00 C ATOM 583 C ALA A 38 4.829 8.900 5.888 1.00 0.00 C ATOM 584 O ALA A 38 5.285 9.824 6.569 1.00 0.00 O ATOM 585 CB ALA A 38 5.344 6.800 7.126 1.00 0.00 C ATOM 0 H ALA A 38 7.500 6.766 5.770 1.00 0.00 H new ATOM 0 HA ALA A 38 5.099 7.017 4.977 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.279 6.744 7.351 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.750 5.792 7.038 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.857 7.329 7.930 1.00 0.00 H new ATOM 591 N LYS A 39 3.700 8.987 5.178 1.00 0.00 N ATOM 592 CA LYS A 39 2.886 10.202 5.135 1.00 0.00 C ATOM 593 C LYS A 39 1.585 9.976 5.931 1.00 0.00 C ATOM 594 O LYS A 39 1.632 9.457 7.050 1.00 0.00 O ATOM 595 CB LYS A 39 2.611 10.574 3.659 1.00 0.00 C ATOM 596 CG LYS A 39 2.292 12.049 3.405 1.00 0.00 C ATOM 597 CD LYS A 39 3.511 12.953 3.594 1.00 0.00 C ATOM 598 CE LYS A 39 3.180 14.419 3.337 1.00 0.00 C ATOM 599 NZ LYS A 39 2.857 14.686 1.906 1.00 0.00 N ATOM 0 H LYS A 39 3.327 8.219 4.619 1.00 0.00 H new ATOM 0 HA LYS A 39 3.413 11.036 5.598 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.482 10.300 3.064 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.777 9.972 3.299 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.911 12.165 2.390 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.499 12.368 4.082 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.892 12.840 4.609 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.305 12.637 2.918 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.334 14.712 3.958 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.026 15.038 3.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.739 15.709 1.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.631 14.339 1.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.975 14.197 1.652 1.00 0.00 H new ATOM 613 N ARG A 40 0.433 10.347 5.349 1.00 0.00 N ATOM 614 CA ARG A 40 -0.866 10.159 6.004 1.00 0.00 C ATOM 615 C ARG A 40 -1.787 9.327 5.111 1.00 0.00 C ATOM 616 O ARG A 40 -2.322 8.307 5.552 1.00 0.00 O ATOM 617 CB ARG A 40 -1.529 11.504 6.350 1.00 0.00 C ATOM 618 CG ARG A 40 -0.727 12.365 7.325 1.00 0.00 C ATOM 619 CD ARG A 40 -1.430 13.681 7.635 1.00 0.00 C ATOM 620 NE ARG A 40 -1.482 14.579 6.472 1.00 0.00 N ATOM 621 CZ ARG A 40 -2.042 15.798 6.472 1.00 0.00 C ATOM 622 NH1 ARG A 40 -2.612 16.294 7.569 1.00 0.00 N ATOM 623 NH2 ARG A 40 -2.030 16.524 5.363 1.00 0.00 N ATOM 0 H ARG A 40 0.378 10.778 4.426 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.695 9.627 6.940 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.685 12.067 5.430 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.513 11.312 6.777 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -0.568 11.812 8.251 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.257 12.570 6.903 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.444 13.476 7.977 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.913 14.181 8.454 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.062 14.251 5.602 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.628 15.745 8.428 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -3.033 17.223 7.550 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -1.597 16.155 4.517 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.454 17.452 5.356 1.00 0.00 H new ATOM 637 N ASN A 41 -1.974 9.783 3.856 1.00 0.00 N ATOM 638 CA ASN A 41 -2.841 9.100 2.880 1.00 0.00 C ATOM 639 C ASN A 41 -2.268 7.727 2.485 1.00 0.00 C ATOM 640 O ASN A 41 -1.662 7.567 1.417 1.00 0.00 O ATOM 641 CB ASN A 41 -3.053 9.999 1.637 1.00 0.00 C ATOM 642 CG ASN A 41 -4.056 9.454 0.605 1.00 0.00 C ATOM 643 OD1 ASN A 41 -4.348 8.150 0.649 1.00 0.00 O flip ATOM 644 ND2 ASN A 41 -4.539 10.201 -0.246 1.00 0.00 N flip ATOM 0 H ASN A 41 -1.532 10.628 3.495 1.00 0.00 H new ATOM 0 HA ASN A 41 -3.810 8.921 3.347 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -3.394 10.979 1.970 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -2.092 10.146 1.145 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -4.296 11.192 -0.252 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -5.182 9.829 -0.945 1.00 0.00 H new ATOM 651 N ASN A 42 -2.500 6.740 3.357 1.00 0.00 N ATOM 652 CA ASN A 42 -2.064 5.361 3.145 1.00 0.00 C ATOM 653 C ASN A 42 -2.921 4.431 3.984 1.00 0.00 C ATOM 654 O ASN A 42 -3.296 4.770 5.111 1.00 0.00 O ATOM 655 CB ASN A 42 -0.591 5.127 3.517 1.00 0.00 C ATOM 656 CG ASN A 42 0.395 5.907 2.661 1.00 0.00 C ATOM 657 OD1 ASN A 42 1.051 5.215 1.738 1.00 0.00 O flip ATOM 658 ND2 ASN A 42 0.557 7.116 2.821 1.00 0.00 N flip ATOM 0 H ASN A 42 -3.000 6.880 4.235 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.172 5.159 2.079 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.443 5.399 4.562 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.370 4.063 3.430 1.00 0.00 H new ATOM 0 HD21 ASN A 42 0.032 7.610 3.543 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.216 7.625 2.232 1.00 0.00 H new ATOM 665 N PHE A 43 -3.226 3.264 3.428 1.00 0.00 N ATOM 666 CA PHE A 43 -4.043 2.270 4.114 1.00 0.00 C ATOM 667 C PHE A 43 -3.418 0.884 4.009 1.00 0.00 C ATOM 668 O PHE A 43 -2.675 0.602 3.064 1.00 0.00 O ATOM 669 CB PHE A 43 -5.460 2.275 3.540 1.00 0.00 C ATOM 670 CG PHE A 43 -6.292 3.449 3.987 1.00 0.00 C ATOM 671 CD1 PHE A 43 -6.194 4.675 3.345 1.00 0.00 C ATOM 672 CD2 PHE A 43 -7.166 3.326 5.055 1.00 0.00 C ATOM 673 CE1 PHE A 43 -6.953 5.753 3.759 1.00 0.00 C ATOM 674 CE2 PHE A 43 -7.928 4.400 5.473 1.00 0.00 C ATOM 675 CZ PHE A 43 -7.821 5.616 4.825 1.00 0.00 C ATOM 0 H PHE A 43 -2.917 2.982 2.498 1.00 0.00 H new ATOM 0 HA PHE A 43 -4.093 2.529 5.171 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -5.401 2.276 2.452 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -5.963 1.353 3.831 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -5.516 4.788 2.512 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -7.253 2.379 5.567 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -6.868 6.702 3.250 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -8.607 4.289 6.306 1.00 0.00 H new ATOM 0 HZ PHE A 43 -8.415 6.457 5.151 1.00 0.00 H new ATOM 685 N LYS A 44 -3.730 0.024 4.984 1.00 0.00 N ATOM 686 CA LYS A 44 -3.210 -1.343 5.016 1.00 0.00 C ATOM 687 C LYS A 44 -4.230 -2.334 4.440 1.00 0.00 C ATOM 688 O LYS A 44 -3.874 -3.193 3.628 1.00 0.00 O ATOM 689 CB LYS A 44 -2.822 -1.726 6.462 1.00 0.00 C ATOM 690 CG LYS A 44 -1.909 -2.951 6.587 1.00 0.00 C ATOM 691 CD LYS A 44 -0.480 -2.657 6.139 1.00 0.00 C ATOM 692 CE LYS A 44 0.409 -3.884 6.267 1.00 0.00 C ATOM 693 NZ LYS A 44 1.806 -3.607 5.832 1.00 0.00 N ATOM 0 H LYS A 44 -4.344 0.254 5.765 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.318 -1.390 4.391 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.326 -0.874 6.927 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.734 -1.912 7.029 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.900 -3.290 7.623 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.315 -3.766 5.988 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.485 -2.317 5.103 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.069 -1.845 6.739 1.00 0.00 H new ATOM 0 HE2 LYS A 44 0.412 -4.223 7.303 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.004 -4.695 5.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 2.344 -4.497 5.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 1.796 -3.180 4.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 2.255 -2.951 6.503 1.00 0.00 H new ATOM 707 N SER A 45 -5.490 -2.210 4.881 1.00 0.00 N ATOM 708 CA SER A 45 -6.561 -3.097 4.432 1.00 0.00 C ATOM 709 C SER A 45 -7.597 -2.346 3.595 1.00 0.00 C ATOM 710 O SER A 45 -7.828 -1.143 3.793 1.00 0.00 O ATOM 711 CB SER A 45 -7.238 -3.755 5.641 1.00 0.00 C ATOM 712 OG SER A 45 -8.194 -4.723 5.238 1.00 0.00 O ATOM 0 H SER A 45 -5.788 -1.500 5.550 1.00 0.00 H new ATOM 0 HA SER A 45 -6.117 -3.867 3.801 1.00 0.00 H new ATOM 0 HB2 SER A 45 -6.483 -4.227 6.270 1.00 0.00 H new ATOM 0 HB3 SER A 45 -7.725 -2.991 6.247 1.00 0.00 H new ATOM 0 HG SER A 45 -8.606 -5.125 6.031 1.00 0.00 H new ATOM 718 N ALA A 46 -8.224 -3.083 2.665 1.00 0.00 N ATOM 719 CA ALA A 46 -9.255 -2.534 1.774 1.00 0.00 C ATOM 720 C ALA A 46 -10.529 -2.164 2.538 1.00 0.00 C ATOM 721 O ALA A 46 -11.157 -1.147 2.237 1.00 0.00 O ATOM 722 CB ALA A 46 -9.574 -3.530 0.667 1.00 0.00 C ATOM 0 H ALA A 46 -8.031 -4.073 2.511 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.859 -1.619 1.333 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.339 -3.113 0.012 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.672 -3.732 0.089 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.939 -4.458 1.107 1.00 0.00 H new ATOM 728 N GLU A 47 -10.894 -2.996 3.532 1.00 0.00 N ATOM 729 CA GLU A 47 -12.090 -2.772 4.364 1.00 0.00 C ATOM 730 C GLU A 47 -12.031 -1.399 5.056 1.00 0.00 C ATOM 731 O GLU A 47 -13.027 -0.666 5.082 1.00 0.00 O ATOM 732 CB GLU A 47 -12.220 -3.901 5.402 1.00 0.00 C ATOM 733 CG GLU A 47 -13.607 -4.023 6.037 1.00 0.00 C ATOM 734 CD GLU A 47 -13.720 -5.150 7.059 1.00 0.00 C ATOM 735 OE1 GLU A 47 -12.718 -5.861 7.301 1.00 0.00 O ATOM 736 OE2 GLU A 47 -14.822 -5.321 7.622 1.00 0.00 O ATOM 0 H GLU A 47 -10.372 -3.837 3.779 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.970 -2.780 3.721 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.969 -4.848 4.924 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -11.486 -3.738 6.191 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -13.859 -3.080 6.521 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -14.344 -4.184 5.250 1.00 0.00 H new ATOM 743 N ASP A 48 -10.844 -1.049 5.585 1.00 0.00 N ATOM 744 CA ASP A 48 -10.629 0.242 6.250 1.00 0.00 C ATOM 745 C ASP A 48 -10.640 1.376 5.220 1.00 0.00 C ATOM 746 O ASP A 48 -11.412 2.334 5.356 1.00 0.00 O ATOM 747 CB ASP A 48 -9.309 0.240 7.038 1.00 0.00 C ATOM 748 CG ASP A 48 -9.317 -0.737 8.201 1.00 0.00 C ATOM 749 OD1 ASP A 48 -10.159 -0.574 9.109 1.00 0.00 O ATOM 750 OD2 ASP A 48 -8.480 -1.665 8.202 1.00 0.00 O ATOM 0 H ASP A 48 -10.018 -1.648 5.563 1.00 0.00 H new ATOM 0 HA ASP A 48 -11.443 0.404 6.957 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.490 -0.011 6.364 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -9.115 1.244 7.415 1.00 0.00 H new ATOM 755 N CYS A 49 -9.778 1.254 4.185 1.00 0.00 N ATOM 756 CA CYS A 49 -9.678 2.261 3.111 1.00 0.00 C ATOM 757 C CYS A 49 -11.036 2.533 2.450 1.00 0.00 C ATOM 758 O CYS A 49 -11.287 3.647 1.991 1.00 0.00 O ATOM 759 CB CYS A 49 -8.671 1.813 2.046 1.00 0.00 C ATOM 760 SG CYS A 49 -8.173 3.132 0.883 1.00 0.00 S ATOM 0 H CYS A 49 -9.141 0.465 4.073 1.00 0.00 H new ATOM 0 HA CYS A 49 -9.335 3.187 3.573 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -7.781 1.428 2.543 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -9.102 0.988 1.479 1.00 0.00 H new ATOM 765 N MET A 50 -11.911 1.513 2.434 1.00 0.00 N ATOM 766 CA MET A 50 -13.247 1.627 1.862 1.00 0.00 C ATOM 767 C MET A 50 -14.195 2.363 2.816 1.00 0.00 C ATOM 768 O MET A 50 -14.901 3.294 2.402 1.00 0.00 O ATOM 769 CB MET A 50 -13.792 0.239 1.528 1.00 0.00 C ATOM 770 CG MET A 50 -13.264 -0.331 0.220 1.00 0.00 C ATOM 771 SD MET A 50 -13.929 -1.968 -0.142 1.00 0.00 S ATOM 772 CE MET A 50 -13.122 -2.322 -1.701 1.00 0.00 C ATOM 0 H MET A 50 -11.704 0.591 2.819 1.00 0.00 H new ATOM 0 HA MET A 50 -13.180 2.211 0.944 1.00 0.00 H new ATOM 0 HB2 MET A 50 -13.540 -0.444 2.339 1.00 0.00 H new ATOM 0 HB3 MET A 50 -14.880 0.288 1.479 1.00 0.00 H new ATOM 0 HG2 MET A 50 -13.515 0.347 -0.595 1.00 0.00 H new ATOM 0 HG3 MET A 50 -12.176 -0.387 0.265 1.00 0.00 H new ATOM 0 HE1 MET A 50 -13.432 -3.305 -2.057 1.00 0.00 H new ATOM 0 HE2 MET A 50 -13.401 -1.566 -2.435 1.00 0.00 H new ATOM 0 HE3 MET A 50 -12.041 -2.311 -1.562 1.00 0.00 H new ATOM 782 N ARG A 51 -14.190 1.949 4.100 1.00 0.00 N ATOM 783 CA ARG A 51 -15.034 2.570 5.140 1.00 0.00 C ATOM 784 C ARG A 51 -14.721 4.064 5.307 1.00 0.00 C ATOM 785 O ARG A 51 -15.609 4.855 5.636 1.00 0.00 O ATOM 786 CB ARG A 51 -14.860 1.852 6.482 1.00 0.00 C ATOM 787 CG ARG A 51 -15.473 0.459 6.523 1.00 0.00 C ATOM 788 CD ARG A 51 -15.285 -0.192 7.883 1.00 0.00 C ATOM 789 NE ARG A 51 -15.891 -1.528 7.941 1.00 0.00 N ATOM 790 CZ ARG A 51 -15.881 -2.323 9.021 1.00 0.00 C ATOM 791 NH1 ARG A 51 -15.297 -1.941 10.154 1.00 0.00 N ATOM 792 NH2 ARG A 51 -16.463 -3.513 8.961 1.00 0.00 N ATOM 0 H ARG A 51 -13.608 1.184 4.442 1.00 0.00 H new ATOM 0 HA ARG A 51 -16.069 2.473 4.814 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -13.796 1.776 6.707 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -15.309 2.459 7.268 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -16.536 0.521 6.292 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -15.016 -0.164 5.754 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -14.221 -0.267 8.105 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -15.728 0.441 8.652 1.00 0.00 H new ATOM 0 HE ARG A 51 -16.352 -1.876 7.100 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -14.846 -1.028 10.213 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -15.301 -2.561 10.964 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -16.914 -3.817 8.098 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -16.460 -4.124 9.778 1.00 0.00 H new ATOM 806 N THR A 52 -13.453 4.435 5.059 1.00 0.00 N ATOM 807 CA THR A 52 -13.011 5.829 5.160 1.00 0.00 C ATOM 808 C THR A 52 -13.207 6.533 3.803 1.00 0.00 C ATOM 809 O THR A 52 -13.886 7.562 3.726 1.00 0.00 O ATOM 810 CB THR A 52 -11.536 5.890 5.619 1.00 0.00 C ATOM 811 OG1 THR A 52 -11.316 5.006 6.705 1.00 0.00 O ATOM 812 CG2 THR A 52 -11.084 7.268 6.076 1.00 0.00 C ATOM 0 H THR A 52 -12.717 3.783 4.787 1.00 0.00 H new ATOM 0 HA THR A 52 -13.612 6.349 5.906 1.00 0.00 H new ATOM 0 HB THR A 52 -10.961 5.611 4.736 1.00 0.00 H new ATOM 0 HG1 THR A 52 -11.296 4.083 6.376 1.00 0.00 H new ATOM 0 HG21 THR A 52 -10.039 7.225 6.381 1.00 0.00 H new ATOM 0 HG22 THR A 52 -11.194 7.977 5.256 1.00 0.00 H new ATOM 0 HG23 THR A 52 -11.695 7.590 6.919 1.00 0.00 H new ATOM 820 N CYS A 53 -12.611 5.960 2.744 1.00 0.00 N ATOM 821 CA CYS A 53 -12.709 6.504 1.390 1.00 0.00 C ATOM 822 C CYS A 53 -12.899 5.392 0.346 1.00 0.00 C ATOM 823 O CYS A 53 -12.006 5.119 -0.463 1.00 0.00 O ATOM 824 CB CYS A 53 -11.465 7.348 1.069 1.00 0.00 C ATOM 825 SG CYS A 53 -9.879 6.611 1.587 1.00 0.00 S ATOM 0 H CYS A 53 -12.051 5.110 2.808 1.00 0.00 H new ATOM 0 HA CYS A 53 -13.590 7.144 1.346 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -11.432 7.525 -0.006 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -11.571 8.321 1.549 1.00 0.00 H new ATOM 830 N GLY A 54 -14.070 4.743 0.373 1.00 0.00 N ATOM 831 CA GLY A 54 -14.358 3.671 -0.571 1.00 0.00 C ATOM 832 C GLY A 54 -15.544 3.987 -1.463 1.00 0.00 C ATOM 833 O GLY A 54 -16.504 3.213 -1.518 1.00 0.00 O ATOM 0 H GLY A 54 -14.822 4.943 1.033 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -13.479 3.490 -1.190 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -14.555 2.750 -0.022 1.00 0.00 H new ATOM 837 N GLY A 55 -15.470 5.126 -2.159 1.00 0.00 N ATOM 838 CA GLY A 55 -16.545 5.540 -3.051 1.00 0.00 C ATOM 839 C GLY A 55 -17.150 6.880 -2.667 1.00 0.00 C ATOM 840 O GLY A 55 -17.465 7.692 -3.543 1.00 0.00 O ATOM 0 H GLY A 55 -14.680 5.770 -2.119 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -16.162 5.599 -4.070 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -17.326 4.780 -3.047 1.00 0.00 H new ATOM 844 N ALA A 56 -17.308 7.107 -1.358 1.00 0.00 N ATOM 845 CA ALA A 56 -17.877 8.352 -0.844 1.00 0.00 C ATOM 846 C ALA A 56 -16.798 9.238 -0.234 1.00 0.00 C ATOM 847 O ALA A 56 -16.808 10.456 -0.508 1.00 0.00 O ATOM 848 CB ALA A 56 -18.960 8.053 0.182 1.00 0.00 C ATOM 849 OXT ALA A 56 -15.950 8.707 0.514 1.00 0.00 O ATOM 0 H ALA A 56 -17.047 6.438 -0.633 1.00 0.00 H new ATOM 0 HA ALA A 56 -18.323 8.891 -1.680 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -19.375 8.989 0.556 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -19.751 7.466 -0.285 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -18.531 7.489 1.010 1.00 0.00 H new TER 855 ALA A 56