USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 410 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= -0.529 K(o=-5.9,f=-1.5!) USER MOD Set 1.2: A 29 GLN : amide:sc= -5.36! K(o=-5.9!,f=-1.5) USER MOD Single : A 1 ASP N :NH3+ -118:sc= 0.0205 (180deg=-0.00569) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0247) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 134:sc= 1.23 USER MOD Single : A 24 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0318) USER MOD Single : A 30 THR OG1 : rot 35:sc= 0.112 USER MOD Single : A 33 TYR OH : rot 180:sc= -0.535 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= -3.74! K(o=-3.7!,f=-0.48) USER MOD Single : A 42 ASN : amide:sc= -1.8 K(o=-1.8,f=-0.49) USER MOD Single : A 44 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0433) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl -170:sc= -3.9! (180deg=-4.29!) USER MOD Single : A 52 THR OG1 : rot 100:sc= 1.54 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -7.678 16.132 3.765 1.00 0.00 N ATOM 2 CA ASP A 1 -8.075 14.698 3.743 1.00 0.00 C ATOM 3 C ASP A 1 -7.226 13.908 2.753 1.00 0.00 C ATOM 4 O ASP A 1 -6.786 14.448 1.734 1.00 0.00 O ATOM 5 CB ASP A 1 -9.558 14.597 3.364 1.00 0.00 C ATOM 6 CG ASP A 1 -10.480 15.182 4.421 1.00 0.00 C ATOM 7 OD1 ASP A 1 -10.471 14.679 5.563 1.00 0.00 O ATOM 8 OD2 ASP A 1 -11.209 16.145 4.103 1.00 0.00 O ATOM 0 H1 ASP A 1 -7.334 16.382 4.714 1.00 0.00 H new ATOM 0 H2 ASP A 1 -6.922 16.294 3.069 1.00 0.00 H new ATOM 0 H3 ASP A 1 -8.500 16.723 3.527 1.00 0.00 H new ATOM 0 HA ASP A 1 -7.914 14.272 4.733 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -9.722 15.115 2.419 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -9.816 13.550 3.203 1.00 0.00 H new ATOM 15 N PHE A 2 -7.005 12.627 3.065 1.00 0.00 N ATOM 16 CA PHE A 2 -6.208 11.736 2.212 1.00 0.00 C ATOM 17 C PHE A 2 -7.091 10.904 1.264 1.00 0.00 C ATOM 18 O PHE A 2 -6.591 10.034 0.540 1.00 0.00 O ATOM 19 CB PHE A 2 -5.299 10.828 3.075 1.00 0.00 C ATOM 20 CG PHE A 2 -5.980 10.119 4.228 1.00 0.00 C ATOM 21 CD1 PHE A 2 -6.894 9.094 4.008 1.00 0.00 C ATOM 22 CD2 PHE A 2 -5.688 10.475 5.534 1.00 0.00 C ATOM 23 CE1 PHE A 2 -7.500 8.448 5.068 1.00 0.00 C ATOM 24 CE2 PHE A 2 -6.290 9.832 6.597 1.00 0.00 C ATOM 25 CZ PHE A 2 -7.199 8.817 6.365 1.00 0.00 C ATOM 0 H PHE A 2 -7.369 12.181 3.907 1.00 0.00 H new ATOM 0 HA PHE A 2 -5.573 12.361 1.584 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -4.847 10.077 2.427 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -4.486 11.434 3.475 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -7.133 8.800 2.997 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -4.979 11.267 5.724 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -8.209 7.655 4.883 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -6.051 10.122 7.609 1.00 0.00 H new ATOM 0 HZ PHE A 2 -7.673 8.314 7.195 1.00 0.00 H new ATOM 35 N CYS A 3 -8.400 11.193 1.265 1.00 0.00 N ATOM 36 CA CYS A 3 -9.369 10.498 0.407 1.00 0.00 C ATOM 37 C CYS A 3 -9.453 11.150 -0.981 1.00 0.00 C ATOM 38 O CYS A 3 -10.053 10.588 -1.902 1.00 0.00 O ATOM 39 CB CYS A 3 -10.747 10.504 1.080 1.00 0.00 C ATOM 40 SG CYS A 3 -12.082 9.688 0.129 1.00 0.00 S ATOM 0 H CYS A 3 -8.815 11.912 1.858 1.00 0.00 H new ATOM 0 HA CYS A 3 -9.034 9.470 0.271 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -10.662 10.014 2.050 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -11.037 11.538 1.269 1.00 0.00 H new ATOM 45 N LEU A 4 -8.845 12.337 -1.112 1.00 0.00 N ATOM 46 CA LEU A 4 -8.837 13.083 -2.375 1.00 0.00 C ATOM 47 C LEU A 4 -7.409 13.429 -2.825 1.00 0.00 C ATOM 48 O LEU A 4 -7.216 13.993 -3.907 1.00 0.00 O ATOM 49 CB LEU A 4 -9.672 14.371 -2.236 1.00 0.00 C ATOM 50 CG LEU A 4 -11.176 14.178 -1.972 1.00 0.00 C ATOM 51 CD1 LEU A 4 -11.792 15.478 -1.476 1.00 0.00 C ATOM 52 CD2 LEU A 4 -11.904 13.706 -3.227 1.00 0.00 C ATOM 0 H LEU A 4 -8.349 12.803 -0.352 1.00 0.00 H new ATOM 0 HA LEU A 4 -9.280 12.443 -3.138 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -9.254 14.964 -1.423 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.556 14.955 -3.149 1.00 0.00 H new ATOM 0 HG LEU A 4 -11.285 13.410 -1.206 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -12.856 15.330 -1.293 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.303 15.782 -0.551 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -11.658 16.255 -2.229 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -12.964 13.579 -3.007 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -11.784 14.447 -4.018 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -11.485 12.754 -3.554 1.00 0.00 H new ATOM 64 N GLU A 5 -6.415 13.089 -1.989 1.00 0.00 N ATOM 65 CA GLU A 5 -5.006 13.364 -2.293 1.00 0.00 C ATOM 66 C GLU A 5 -4.332 12.161 -2.973 1.00 0.00 C ATOM 67 O GLU A 5 -4.683 11.015 -2.681 1.00 0.00 O ATOM 68 CB GLU A 5 -4.237 13.733 -1.013 1.00 0.00 C ATOM 69 CG GLU A 5 -4.647 15.071 -0.384 1.00 0.00 C ATOM 70 CD GLU A 5 -4.229 16.302 -1.190 1.00 0.00 C ATOM 71 OE1 GLU A 5 -3.604 16.147 -2.265 1.00 0.00 O ATOM 72 OE2 GLU A 5 -4.529 17.427 -0.739 1.00 0.00 O ATOM 0 H GLU A 5 -6.564 12.622 -1.095 1.00 0.00 H new ATOM 0 HA GLU A 5 -4.981 14.207 -2.983 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.381 12.942 -0.277 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -3.172 13.765 -1.242 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.730 15.084 -0.260 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -4.211 15.139 0.613 1.00 0.00 H new ATOM 79 N PRO A 6 -3.351 12.402 -3.900 1.00 0.00 N ATOM 80 CA PRO A 6 -2.639 11.332 -4.623 1.00 0.00 C ATOM 81 C PRO A 6 -1.536 10.665 -3.775 1.00 0.00 C ATOM 82 O PRO A 6 -1.119 11.229 -2.760 1.00 0.00 O ATOM 83 CB PRO A 6 -2.010 12.056 -5.829 1.00 0.00 C ATOM 84 CG PRO A 6 -2.488 13.473 -5.763 1.00 0.00 C ATOM 85 CD PRO A 6 -2.864 13.724 -4.333 1.00 0.00 C ATOM 0 HA PRO A 6 -3.317 10.523 -4.896 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -0.922 12.010 -5.786 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -2.312 11.587 -6.765 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -1.708 14.162 -6.087 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -3.342 13.626 -6.422 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -2.012 14.057 -3.741 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -3.634 14.490 -4.243 1.00 0.00 H new ATOM 93 N PRO A 7 -1.045 9.445 -4.173 1.00 0.00 N ATOM 94 CA PRO A 7 0.008 8.713 -3.431 1.00 0.00 C ATOM 95 C PRO A 7 1.375 9.417 -3.441 1.00 0.00 C ATOM 96 O PRO A 7 1.637 10.263 -4.300 1.00 0.00 O ATOM 97 CB PRO A 7 0.077 7.379 -4.185 1.00 0.00 C ATOM 98 CG PRO A 7 -0.349 7.708 -5.562 1.00 0.00 C ATOM 99 CD PRO A 7 -1.475 8.665 -5.362 1.00 0.00 C ATOM 0 HA PRO A 7 -0.229 8.626 -2.371 1.00 0.00 H new ATOM 0 HB2 PRO A 7 1.086 6.966 -4.170 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -0.579 6.634 -3.734 1.00 0.00 H new ATOM 0 HG2 PRO A 7 0.462 8.157 -6.136 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -0.670 6.819 -6.105 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -1.621 9.304 -6.233 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -2.418 8.147 -5.185 1.00 0.00 H new ATOM 107 N TYR A 8 2.227 9.051 -2.474 1.00 0.00 N ATOM 108 CA TYR A 8 3.567 9.630 -2.348 1.00 0.00 C ATOM 109 C TYR A 8 4.603 8.534 -2.037 1.00 0.00 C ATOM 110 O TYR A 8 4.955 8.301 -0.873 1.00 0.00 O ATOM 111 CB TYR A 8 3.564 10.732 -1.258 1.00 0.00 C ATOM 112 CG TYR A 8 4.888 11.459 -1.062 1.00 0.00 C ATOM 113 CD1 TYR A 8 5.471 12.201 -2.088 1.00 0.00 C ATOM 114 CD2 TYR A 8 5.554 11.395 0.156 1.00 0.00 C ATOM 115 CE1 TYR A 8 6.675 12.854 -1.903 1.00 0.00 C ATOM 116 CE2 TYR A 8 6.758 12.048 0.348 1.00 0.00 C ATOM 117 CZ TYR A 8 7.313 12.774 -0.683 1.00 0.00 C ATOM 118 OH TYR A 8 8.512 13.424 -0.495 1.00 0.00 O ATOM 0 H TYR A 8 2.008 8.352 -1.764 1.00 0.00 H new ATOM 0 HA TYR A 8 3.849 10.088 -3.296 1.00 0.00 H new ATOM 0 HB2 TYR A 8 2.799 11.467 -1.510 1.00 0.00 H new ATOM 0 HB3 TYR A 8 3.273 10.281 -0.310 1.00 0.00 H new ATOM 0 HD1 TYR A 8 4.973 12.267 -3.044 1.00 0.00 H new ATOM 0 HD2 TYR A 8 5.124 10.826 0.967 1.00 0.00 H new ATOM 0 HE1 TYR A 8 7.114 13.424 -2.709 1.00 0.00 H new ATOM 0 HE2 TYR A 8 7.261 11.989 1.302 1.00 0.00 H new ATOM 0 HH TYR A 8 8.829 13.268 0.419 1.00 0.00 H new ATOM 128 N THR A 9 5.084 7.866 -3.093 1.00 0.00 N ATOM 129 CA THR A 9 6.079 6.800 -2.954 1.00 0.00 C ATOM 130 C THR A 9 7.494 7.360 -3.181 1.00 0.00 C ATOM 131 O THR A 9 8.366 7.217 -2.318 1.00 0.00 O ATOM 132 CB THR A 9 5.768 5.647 -3.934 1.00 0.00 C ATOM 133 OG1 THR A 9 4.395 5.302 -3.879 1.00 0.00 O ATOM 134 CG2 THR A 9 6.553 4.372 -3.662 1.00 0.00 C ATOM 0 H THR A 9 4.798 8.047 -4.055 1.00 0.00 H new ATOM 0 HA THR A 9 6.034 6.401 -1.941 1.00 0.00 H new ATOM 0 HB THR A 9 6.057 6.032 -4.912 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.216 4.571 -4.507 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.277 3.612 -4.393 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.620 4.579 -3.739 1.00 0.00 H new ATOM 0 HG23 THR A 9 6.324 4.011 -2.659 1.00 0.00 H new ATOM 142 N GLY A 10 7.705 7.992 -4.347 1.00 0.00 N ATOM 143 CA GLY A 10 9.005 8.565 -4.684 1.00 0.00 C ATOM 144 C GLY A 10 9.935 7.560 -5.367 1.00 0.00 C ATOM 145 O GLY A 10 9.452 6.564 -5.912 1.00 0.00 O ATOM 0 H GLY A 10 6.991 8.115 -5.065 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.860 9.423 -5.340 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.481 8.935 -3.776 1.00 0.00 H new ATOM 149 N PRO A 11 11.287 7.784 -5.355 1.00 0.00 N ATOM 150 CA PRO A 11 12.261 6.867 -5.984 1.00 0.00 C ATOM 151 C PRO A 11 12.497 5.587 -5.167 1.00 0.00 C ATOM 152 O PRO A 11 13.266 4.712 -5.580 1.00 0.00 O ATOM 153 CB PRO A 11 13.558 7.696 -6.054 1.00 0.00 C ATOM 154 CG PRO A 11 13.190 9.078 -5.618 1.00 0.00 C ATOM 155 CD PRO A 11 11.982 8.931 -4.743 1.00 0.00 C ATOM 0 HA PRO A 11 11.903 6.521 -6.954 1.00 0.00 H new ATOM 0 HB2 PRO A 11 14.326 7.274 -5.405 1.00 0.00 H new ATOM 0 HB3 PRO A 11 13.963 7.701 -7.066 1.00 0.00 H new ATOM 0 HG2 PRO A 11 14.010 9.546 -5.074 1.00 0.00 H new ATOM 0 HG3 PRO A 11 12.974 9.713 -6.477 1.00 0.00 H new ATOM 0 HD2 PRO A 11 12.253 8.736 -3.705 1.00 0.00 H new ATOM 0 HD3 PRO A 11 11.365 9.830 -4.747 1.00 0.00 H new ATOM 163 N CYS A 12 11.822 5.490 -4.013 1.00 0.00 N ATOM 164 CA CYS A 12 11.933 4.331 -3.126 1.00 0.00 C ATOM 165 C CYS A 12 10.866 3.283 -3.433 1.00 0.00 C ATOM 166 O CYS A 12 9.728 3.617 -3.774 1.00 0.00 O ATOM 167 CB CYS A 12 11.868 4.782 -1.664 1.00 0.00 C ATOM 168 SG CYS A 12 13.287 4.243 -0.665 1.00 0.00 S ATOM 0 H CYS A 12 11.187 6.212 -3.672 1.00 0.00 H new ATOM 0 HA CYS A 12 12.899 3.858 -3.301 1.00 0.00 H new ATOM 0 HB2 CYS A 12 11.805 5.870 -1.632 1.00 0.00 H new ATOM 0 HB3 CYS A 12 10.953 4.397 -1.215 1.00 0.00 H new ATOM 173 N LYS A 13 11.265 2.007 -3.317 1.00 0.00 N ATOM 174 CA LYS A 13 10.394 0.867 -3.580 1.00 0.00 C ATOM 175 C LYS A 13 10.653 -0.228 -2.547 1.00 0.00 C ATOM 176 O LYS A 13 11.513 -1.102 -2.726 1.00 0.00 O ATOM 177 CB LYS A 13 10.616 0.326 -5.006 1.00 0.00 C ATOM 178 CG LYS A 13 10.184 1.283 -6.108 1.00 0.00 C ATOM 179 CD LYS A 13 10.621 0.780 -7.475 1.00 0.00 C ATOM 180 CE LYS A 13 10.187 1.719 -8.595 1.00 0.00 C ATOM 181 NZ LYS A 13 10.899 3.030 -8.546 1.00 0.00 N ATOM 0 H LYS A 13 12.209 1.743 -3.036 1.00 0.00 H new ATOM 0 HA LYS A 13 9.357 1.193 -3.502 1.00 0.00 H new ATOM 0 HB2 LYS A 13 11.673 0.094 -5.135 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.069 -0.610 -5.117 1.00 0.00 H new ATOM 0 HG2 LYS A 13 9.100 1.398 -6.089 1.00 0.00 H new ATOM 0 HG3 LYS A 13 10.612 2.269 -5.926 1.00 0.00 H new ATOM 0 HD2 LYS A 13 11.706 0.673 -7.492 1.00 0.00 H new ATOM 0 HD3 LYS A 13 10.200 -0.210 -7.649 1.00 0.00 H new ATOM 0 HE2 LYS A 13 10.374 1.243 -9.558 1.00 0.00 H new ATOM 0 HE3 LYS A 13 9.113 1.889 -8.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 10.646 3.594 -9.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 10.621 3.544 -7.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 11.926 2.867 -8.535 1.00 0.00 H new ATOM 195 N ALA A 14 9.905 -0.144 -1.452 1.00 0.00 N ATOM 196 CA ALA A 14 10.013 -1.089 -0.333 1.00 0.00 C ATOM 197 C ALA A 14 9.303 -2.421 -0.638 1.00 0.00 C ATOM 198 O ALA A 14 8.692 -2.576 -1.700 1.00 0.00 O ATOM 199 CB ALA A 14 9.448 -0.448 0.931 1.00 0.00 C ATOM 0 H ALA A 14 9.203 0.582 -1.310 1.00 0.00 H new ATOM 0 HA ALA A 14 11.067 -1.320 -0.180 1.00 0.00 H new ATOM 0 HB1 ALA A 14 9.528 -1.149 1.762 1.00 0.00 H new ATOM 0 HB2 ALA A 14 10.011 0.456 1.164 1.00 0.00 H new ATOM 0 HB3 ALA A 14 8.400 -0.192 0.772 1.00 0.00 H new ATOM 205 N ARG A 15 9.415 -3.380 0.292 1.00 0.00 N ATOM 206 CA ARG A 15 8.809 -4.711 0.132 1.00 0.00 C ATOM 207 C ARG A 15 7.556 -4.877 1.006 1.00 0.00 C ATOM 208 O ARG A 15 7.189 -5.995 1.395 1.00 0.00 O ATOM 209 CB ARG A 15 9.866 -5.805 0.444 1.00 0.00 C ATOM 210 CG ARG A 15 10.514 -5.702 1.835 1.00 0.00 C ATOM 211 CD ARG A 15 9.752 -6.509 2.887 1.00 0.00 C ATOM 212 NE ARG A 15 10.145 -6.165 4.265 1.00 0.00 N ATOM 213 CZ ARG A 15 11.298 -6.529 4.858 1.00 0.00 C ATOM 214 NH1 ARG A 15 12.203 -7.263 4.212 1.00 0.00 N ATOM 215 NH2 ARG A 15 11.541 -6.150 6.106 1.00 0.00 N ATOM 0 H ARG A 15 9.923 -3.258 1.168 1.00 0.00 H new ATOM 0 HA ARG A 15 8.483 -4.820 -0.902 1.00 0.00 H new ATOM 0 HB2 ARG A 15 9.394 -6.783 0.351 1.00 0.00 H new ATOM 0 HB3 ARG A 15 10.651 -5.757 -0.311 1.00 0.00 H new ATOM 0 HG2 ARG A 15 11.543 -6.057 1.782 1.00 0.00 H new ATOM 0 HG3 ARG A 15 10.553 -4.656 2.140 1.00 0.00 H new ATOM 0 HD2 ARG A 15 8.682 -6.338 2.765 1.00 0.00 H new ATOM 0 HD3 ARG A 15 9.926 -7.572 2.719 1.00 0.00 H new ATOM 0 HE ARG A 15 9.491 -5.606 4.814 1.00 0.00 H new ATOM 0 HH11 ARG A 15 12.028 -7.559 3.252 1.00 0.00 H new ATOM 0 HH12 ARG A 15 13.071 -7.529 4.678 1.00 0.00 H new ATOM 0 HH21 ARG A 15 10.857 -5.586 6.610 1.00 0.00 H new ATOM 0 HH22 ARG A 15 12.412 -6.422 6.561 1.00 0.00 H new ATOM 229 N ILE A 16 6.917 -3.756 1.312 1.00 0.00 N ATOM 230 CA ILE A 16 5.718 -3.751 2.154 1.00 0.00 C ATOM 231 C ILE A 16 4.573 -2.992 1.460 1.00 0.00 C ATOM 232 O ILE A 16 4.387 -1.789 1.673 1.00 0.00 O ATOM 233 CB ILE A 16 6.020 -3.137 3.566 1.00 0.00 C ATOM 234 CG1 ILE A 16 7.302 -3.753 4.175 1.00 0.00 C ATOM 235 CG2 ILE A 16 4.831 -3.352 4.515 1.00 0.00 C ATOM 236 CD1 ILE A 16 7.985 -2.879 5.217 1.00 0.00 C ATOM 0 H ILE A 16 7.207 -2.832 0.990 1.00 0.00 H new ATOM 0 HA ILE A 16 5.405 -4.785 2.301 1.00 0.00 H new ATOM 0 HB ILE A 16 6.179 -2.066 3.438 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.050 -4.711 4.631 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.009 -3.959 3.371 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.060 -2.919 5.489 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.945 -2.870 4.103 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.644 -4.420 4.627 1.00 0.00 H new ATOM 0 HD11 ILE A 16 8.874 -3.387 5.591 1.00 0.00 H new ATOM 0 HD12 ILE A 16 8.273 -1.930 4.764 1.00 0.00 H new ATOM 0 HD13 ILE A 16 7.298 -2.693 6.043 1.00 0.00 H new ATOM 248 N ILE A 17 3.811 -3.717 0.626 1.00 0.00 N ATOM 249 CA ILE A 17 2.671 -3.143 -0.115 1.00 0.00 C ATOM 250 C ILE A 17 1.436 -3.110 0.781 1.00 0.00 C ATOM 251 O ILE A 17 1.239 -3.977 1.638 1.00 0.00 O ATOM 252 CB ILE A 17 2.354 -3.934 -1.436 1.00 0.00 C ATOM 253 CG1 ILE A 17 3.623 -4.210 -2.264 1.00 0.00 C ATOM 254 CG2 ILE A 17 1.350 -3.178 -2.307 1.00 0.00 C ATOM 255 CD1 ILE A 17 4.370 -5.469 -1.861 1.00 0.00 C ATOM 0 H ILE A 17 3.964 -4.709 0.446 1.00 0.00 H new ATOM 0 HA ILE A 17 2.949 -2.130 -0.405 1.00 0.00 H new ATOM 0 HB ILE A 17 1.925 -4.886 -1.125 1.00 0.00 H new ATOM 0 HG12 ILE A 17 3.347 -4.286 -3.316 1.00 0.00 H new ATOM 0 HG13 ILE A 17 4.296 -3.357 -2.172 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.151 -3.750 -3.213 1.00 0.00 H new ATOM 0 HG22 ILE A 17 0.421 -3.039 -1.754 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.761 -2.205 -2.575 1.00 0.00 H new ATOM 0 HD11 ILE A 17 5.250 -5.588 -2.493 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.680 -5.390 -0.819 1.00 0.00 H new ATOM 0 HD13 ILE A 17 3.717 -6.334 -1.981 1.00 0.00 H new ATOM 267 N ARG A 18 0.647 -2.062 0.582 1.00 0.00 N ATOM 268 CA ARG A 18 -0.557 -1.802 1.355 1.00 0.00 C ATOM 269 C ARG A 18 -1.682 -1.289 0.439 1.00 0.00 C ATOM 270 O ARG A 18 -1.621 -1.479 -0.777 1.00 0.00 O ATOM 271 CB ARG A 18 -0.191 -0.773 2.424 1.00 0.00 C ATOM 272 CG ARG A 18 -0.537 -1.210 3.840 1.00 0.00 C ATOM 273 CD ARG A 18 -0.173 -0.143 4.874 1.00 0.00 C ATOM 274 NE ARG A 18 1.283 0.072 5.007 1.00 0.00 N ATOM 275 CZ ARG A 18 2.149 -0.792 5.570 1.00 0.00 C ATOM 276 NH1 ARG A 18 1.733 -1.954 6.070 1.00 0.00 N ATOM 277 NH2 ARG A 18 3.437 -0.484 5.629 1.00 0.00 N ATOM 0 H ARG A 18 0.830 -1.358 -0.133 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.927 -2.713 1.825 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.878 -0.569 2.368 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -0.706 0.163 2.206 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.604 -1.426 3.902 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -0.010 -2.135 4.073 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -0.648 0.798 4.597 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -0.580 -0.432 5.843 1.00 0.00 H new ATOM 0 HE ARG A 18 1.663 0.946 4.643 1.00 0.00 H new ATOM 0 HH11 ARG A 18 0.744 -2.202 6.030 1.00 0.00 H new ATOM 0 HH12 ARG A 18 2.403 -2.596 6.493 1.00 0.00 H new ATOM 0 HH21 ARG A 18 3.767 0.403 5.249 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.098 -1.134 6.054 1.00 0.00 H new ATOM 291 N TYR A 19 -2.710 -0.651 1.023 1.00 0.00 N ATOM 292 CA TYR A 19 -3.841 -0.119 0.252 1.00 0.00 C ATOM 293 C TYR A 19 -3.967 1.392 0.414 1.00 0.00 C ATOM 294 O TYR A 19 -3.414 1.974 1.358 1.00 0.00 O ATOM 295 CB TYR A 19 -5.149 -0.805 0.667 1.00 0.00 C ATOM 296 CG TYR A 19 -5.324 -2.206 0.115 1.00 0.00 C ATOM 297 CD1 TYR A 19 -4.319 -3.158 0.234 1.00 0.00 C ATOM 298 CD2 TYR A 19 -6.505 -2.575 -0.509 1.00 0.00 C ATOM 299 CE1 TYR A 19 -4.484 -4.437 -0.255 1.00 0.00 C ATOM 300 CE2 TYR A 19 -6.683 -3.856 -0.999 1.00 0.00 C ATOM 301 CZ TYR A 19 -5.669 -4.784 -0.868 1.00 0.00 C ATOM 302 OH TYR A 19 -5.842 -6.060 -1.354 1.00 0.00 O ATOM 0 H TYR A 19 -2.779 -0.492 2.028 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.648 -0.331 -0.800 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -5.193 -0.848 1.755 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.987 -0.191 0.338 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.391 -2.891 0.718 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -7.299 -1.851 -0.614 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -3.690 -5.162 -0.158 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -7.610 -4.129 -1.481 1.00 0.00 H new ATOM 0 HH TYR A 19 -6.733 -6.139 -1.755 1.00 0.00 H new ATOM 312 N PHE A 20 -4.771 2.006 -0.478 1.00 0.00 N ATOM 313 CA PHE A 20 -5.067 3.450 -0.425 1.00 0.00 C ATOM 314 C PHE A 20 -6.265 3.788 -1.340 1.00 0.00 C ATOM 315 O PHE A 20 -6.837 2.891 -1.962 1.00 0.00 O ATOM 316 CB PHE A 20 -3.804 4.305 -0.740 1.00 0.00 C ATOM 317 CG PHE A 20 -3.418 4.440 -2.193 1.00 0.00 C ATOM 318 CD1 PHE A 20 -3.149 3.333 -2.988 1.00 0.00 C ATOM 319 CD2 PHE A 20 -3.325 5.699 -2.754 1.00 0.00 C ATOM 320 CE1 PHE A 20 -2.797 3.490 -4.315 1.00 0.00 C ATOM 321 CE2 PHE A 20 -2.975 5.860 -4.073 1.00 0.00 C ATOM 322 CZ PHE A 20 -2.711 4.758 -4.857 1.00 0.00 C ATOM 0 H PHE A 20 -5.229 1.519 -1.248 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.357 3.709 0.593 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.962 5.305 -0.336 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -2.959 3.874 -0.203 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.216 2.341 -2.565 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.530 6.569 -2.148 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -2.590 2.624 -4.927 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -2.907 6.851 -4.496 1.00 0.00 H new ATOM 0 HZ PHE A 20 -2.437 4.885 -5.894 1.00 0.00 H new ATOM 332 N TYR A 21 -6.628 5.077 -1.421 1.00 0.00 N ATOM 333 CA TYR A 21 -7.744 5.531 -2.265 1.00 0.00 C ATOM 334 C TYR A 21 -7.267 6.631 -3.224 1.00 0.00 C ATOM 335 O TYR A 21 -6.637 7.598 -2.784 1.00 0.00 O ATOM 336 CB TYR A 21 -8.888 6.075 -1.382 1.00 0.00 C ATOM 337 CG TYR A 21 -10.169 6.420 -2.131 1.00 0.00 C ATOM 338 CD1 TYR A 21 -10.289 7.624 -2.818 1.00 0.00 C ATOM 339 CD2 TYR A 21 -11.255 5.556 -2.134 1.00 0.00 C ATOM 340 CE1 TYR A 21 -11.450 7.956 -3.486 1.00 0.00 C ATOM 341 CE2 TYR A 21 -12.424 5.883 -2.796 1.00 0.00 C ATOM 342 CZ TYR A 21 -12.516 7.084 -3.469 1.00 0.00 C ATOM 343 OH TYR A 21 -13.679 7.417 -4.124 1.00 0.00 O ATOM 0 H TYR A 21 -6.162 5.827 -0.910 1.00 0.00 H new ATOM 0 HA TYR A 21 -8.110 4.684 -2.845 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -9.120 5.334 -0.617 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -8.535 6.967 -0.865 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -9.457 8.312 -2.829 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -11.186 4.614 -1.611 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -11.522 8.893 -4.018 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -13.262 5.201 -2.786 1.00 0.00 H new ATOM 0 HH TYR A 21 -13.989 6.651 -4.650 1.00 0.00 H new ATOM 353 N ASN A 22 -7.572 6.491 -4.527 1.00 0.00 N ATOM 354 CA ASN A 22 -7.181 7.478 -5.524 1.00 0.00 C ATOM 355 C ASN A 22 -8.383 8.295 -5.984 1.00 0.00 C ATOM 356 O ASN A 22 -9.388 7.735 -6.444 1.00 0.00 O ATOM 357 CB ASN A 22 -6.584 6.796 -6.753 1.00 0.00 C ATOM 358 CG ASN A 22 -5.199 6.242 -6.537 1.00 0.00 C ATOM 359 OD1 ASN A 22 -4.257 6.992 -6.286 1.00 0.00 O ATOM 360 ND2 ASN A 22 -5.065 4.929 -6.660 1.00 0.00 N ATOM 0 H ASN A 22 -8.090 5.698 -4.905 1.00 0.00 H new ATOM 0 HA ASN A 22 -6.443 8.130 -5.056 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -7.244 5.985 -7.062 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -6.553 7.512 -7.574 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -4.148 4.497 -6.546 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -5.879 4.351 -6.869 1.00 0.00 H new ATOM 367 N ALA A 23 -8.265 9.621 -5.881 1.00 0.00 N ATOM 368 CA ALA A 23 -9.330 10.531 -6.313 1.00 0.00 C ATOM 369 C ALA A 23 -9.269 10.779 -7.833 1.00 0.00 C ATOM 370 O ALA A 23 -9.913 11.699 -8.353 1.00 0.00 O ATOM 371 CB ALA A 23 -9.241 11.839 -5.539 1.00 0.00 C ATOM 0 H ALA A 23 -7.442 10.089 -5.502 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.292 10.065 -6.099 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -10.036 12.510 -5.866 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.350 11.639 -4.473 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.273 12.306 -5.723 1.00 0.00 H new ATOM 377 N LYS A 24 -8.511 9.920 -8.538 1.00 0.00 N ATOM 378 CA LYS A 24 -8.375 9.999 -9.993 1.00 0.00 C ATOM 379 C LYS A 24 -9.346 9.013 -10.652 1.00 0.00 C ATOM 380 O LYS A 24 -9.969 9.320 -11.671 1.00 0.00 O ATOM 381 CB LYS A 24 -6.918 9.700 -10.408 1.00 0.00 C ATOM 382 CG LYS A 24 -6.552 10.100 -11.842 1.00 0.00 C ATOM 383 CD LYS A 24 -6.381 11.611 -11.998 1.00 0.00 C ATOM 384 CE LYS A 24 -6.017 12.000 -13.426 1.00 0.00 C ATOM 385 NZ LYS A 24 -7.133 11.748 -14.385 1.00 0.00 N ATOM 0 H LYS A 24 -7.981 9.159 -8.113 1.00 0.00 H new ATOM 0 HA LYS A 24 -8.621 11.007 -10.327 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.248 10.218 -9.721 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.735 8.632 -10.288 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.627 9.600 -12.131 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.329 9.752 -12.523 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.305 12.112 -11.710 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.604 11.960 -11.318 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.748 13.056 -13.455 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.137 11.438 -13.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.877 12.121 -15.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.306 10.725 -14.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.995 12.223 -14.047 1.00 0.00 H new ATOM 399 N ALA A 25 -9.458 7.832 -10.036 1.00 0.00 N ATOM 400 CA ALA A 25 -10.336 6.768 -10.508 1.00 0.00 C ATOM 401 C ALA A 25 -11.611 6.694 -9.664 1.00 0.00 C ATOM 402 O ALA A 25 -12.684 6.362 -10.178 1.00 0.00 O ATOM 403 CB ALA A 25 -9.593 5.444 -10.470 1.00 0.00 C ATOM 0 H ALA A 25 -8.938 7.591 -9.192 1.00 0.00 H new ATOM 0 HA ALA A 25 -10.631 6.985 -11.535 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.249 4.648 -10.823 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.714 5.501 -11.112 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.282 5.231 -9.447 1.00 0.00 H new ATOM 409 N GLY A 26 -11.478 7.025 -8.372 1.00 0.00 N ATOM 410 CA GLY A 26 -12.617 7.015 -7.460 1.00 0.00 C ATOM 411 C GLY A 26 -12.738 5.744 -6.631 1.00 0.00 C ATOM 412 O GLY A 26 -13.756 5.544 -5.962 1.00 0.00 O ATOM 0 H GLY A 26 -10.595 7.301 -7.942 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -12.537 7.869 -6.787 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -13.532 7.148 -8.037 1.00 0.00 H new ATOM 416 N LEU A 27 -11.712 4.883 -6.673 1.00 0.00 N ATOM 417 CA LEU A 27 -11.725 3.627 -5.914 1.00 0.00 C ATOM 418 C LEU A 27 -10.403 3.413 -5.156 1.00 0.00 C ATOM 419 O LEU A 27 -9.453 4.194 -5.308 1.00 0.00 O ATOM 420 CB LEU A 27 -12.054 2.418 -6.828 1.00 0.00 C ATOM 421 CG LEU A 27 -11.229 2.266 -8.119 1.00 0.00 C ATOM 422 CD1 LEU A 27 -11.169 0.805 -8.537 1.00 0.00 C ATOM 423 CD2 LEU A 27 -11.831 3.098 -9.246 1.00 0.00 C ATOM 0 H LEU A 27 -10.866 5.033 -7.223 1.00 0.00 H new ATOM 0 HA LEU A 27 -12.519 3.703 -5.171 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.933 1.508 -6.241 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -13.106 2.481 -7.105 1.00 0.00 H new ATOM 0 HG LEU A 27 -10.219 2.624 -7.920 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -10.583 0.712 -9.451 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.702 0.219 -7.745 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.179 0.436 -8.715 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -11.232 2.976 -10.148 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -12.851 2.765 -9.439 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -11.841 4.149 -8.957 1.00 0.00 H new ATOM 435 N CYS A 28 -10.368 2.352 -4.330 1.00 0.00 N ATOM 436 CA CYS A 28 -9.191 2.015 -3.527 1.00 0.00 C ATOM 437 C CYS A 28 -8.249 1.075 -4.271 1.00 0.00 C ATOM 438 O CYS A 28 -8.685 0.091 -4.876 1.00 0.00 O ATOM 439 CB CYS A 28 -9.612 1.384 -2.203 1.00 0.00 C ATOM 440 SG CYS A 28 -10.373 2.554 -1.035 1.00 0.00 S ATOM 0 H CYS A 28 -11.152 1.711 -4.205 1.00 0.00 H new ATOM 0 HA CYS A 28 -8.655 2.944 -3.331 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -10.317 0.577 -2.405 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -8.738 0.934 -1.733 1.00 0.00 H new ATOM 445 N GLN A 29 -6.957 1.409 -4.228 1.00 0.00 N ATOM 446 CA GLN A 29 -5.917 0.635 -4.899 1.00 0.00 C ATOM 447 C GLN A 29 -4.971 -0.045 -3.889 1.00 0.00 C ATOM 448 O GLN A 29 -5.292 -0.147 -2.694 1.00 0.00 O ATOM 449 CB GLN A 29 -5.157 1.563 -5.872 1.00 0.00 C ATOM 450 CG GLN A 29 -5.816 1.721 -7.243 1.00 0.00 C ATOM 451 CD GLN A 29 -7.196 2.360 -7.196 1.00 0.00 C ATOM 452 OE1 GLN A 29 -7.359 3.494 -6.746 1.00 0.00 O ATOM 453 NE2 GLN A 29 -8.198 1.627 -7.664 1.00 0.00 N ATOM 0 H GLN A 29 -6.605 2.224 -3.726 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.378 -0.173 -5.467 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -5.060 2.547 -5.414 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.148 1.175 -6.011 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -5.169 2.325 -7.879 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -5.897 0.740 -7.711 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.019 0.691 -8.028 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -9.148 1.999 -7.660 1.00 0.00 H new ATOM 462 N THR A 30 -3.792 -0.464 -4.379 1.00 0.00 N ATOM 463 CA THR A 30 -2.765 -1.109 -3.558 1.00 0.00 C ATOM 464 C THR A 30 -1.415 -0.452 -3.813 1.00 0.00 C ATOM 465 O THR A 30 -0.991 -0.321 -4.967 1.00 0.00 O ATOM 466 CB THR A 30 -2.683 -2.611 -3.867 1.00 0.00 C ATOM 467 OG1 THR A 30 -2.488 -2.835 -5.253 1.00 0.00 O ATOM 468 CG2 THR A 30 -3.913 -3.391 -3.447 1.00 0.00 C ATOM 0 H THR A 30 -3.528 -0.362 -5.359 1.00 0.00 H new ATOM 0 HA THR A 30 -3.034 -0.989 -2.509 1.00 0.00 H new ATOM 0 HB THR A 30 -1.834 -2.968 -3.284 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.921 -2.126 -5.622 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.780 -4.443 -3.698 1.00 0.00 H new ATOM 0 HG22 THR A 30 -4.058 -3.290 -2.371 1.00 0.00 H new ATOM 0 HG23 THR A 30 -4.787 -3.001 -3.969 1.00 0.00 H new ATOM 476 N PHE A 31 -0.753 -0.015 -2.734 1.00 0.00 N ATOM 477 CA PHE A 31 0.542 0.658 -2.842 1.00 0.00 C ATOM 478 C PHE A 31 1.460 0.313 -1.656 1.00 0.00 C ATOM 479 O PHE A 31 0.989 0.027 -0.560 1.00 0.00 O ATOM 480 CB PHE A 31 0.313 2.175 -2.926 1.00 0.00 C ATOM 481 CG PHE A 31 0.288 2.865 -1.595 1.00 0.00 C ATOM 482 CD1 PHE A 31 -0.779 2.722 -0.714 1.00 0.00 C ATOM 483 CD2 PHE A 31 1.362 3.640 -1.226 1.00 0.00 C ATOM 484 CE1 PHE A 31 -0.760 3.358 0.512 1.00 0.00 C ATOM 485 CE2 PHE A 31 1.389 4.275 -0.008 1.00 0.00 C ATOM 486 CZ PHE A 31 0.326 4.138 0.864 1.00 0.00 C ATOM 0 H PHE A 31 -1.095 -0.117 -1.778 1.00 0.00 H new ATOM 0 HA PHE A 31 1.043 0.311 -3.746 1.00 0.00 H new ATOM 0 HB2 PHE A 31 1.100 2.617 -3.538 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.631 2.361 -3.438 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.626 2.111 -0.990 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.196 3.751 -1.903 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.591 3.246 1.193 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.240 4.880 0.267 1.00 0.00 H new ATOM 0 HZ PHE A 31 0.343 4.640 1.820 1.00 0.00 H new ATOM 496 N VAL A 32 2.766 0.307 -1.929 1.00 0.00 N ATOM 497 CA VAL A 32 3.818 -0.059 -0.964 1.00 0.00 C ATOM 498 C VAL A 32 4.049 1.044 0.098 1.00 0.00 C ATOM 499 O VAL A 32 3.391 2.083 0.084 1.00 0.00 O ATOM 500 CB VAL A 32 5.155 -0.354 -1.736 1.00 0.00 C ATOM 501 CG1 VAL A 32 6.131 -1.182 -0.906 1.00 0.00 C ATOM 502 CG2 VAL A 32 4.895 -1.059 -3.067 1.00 0.00 C ATOM 0 H VAL A 32 3.135 0.561 -2.845 1.00 0.00 H new ATOM 0 HA VAL A 32 3.488 -0.952 -0.433 1.00 0.00 H new ATOM 0 HB VAL A 32 5.608 0.618 -1.932 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.039 -1.360 -1.482 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.381 -0.642 0.008 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.672 -2.137 -0.649 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.843 -1.246 -3.571 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.388 -2.007 -2.884 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.268 -0.428 -3.697 1.00 0.00 H new ATOM 512 N TYR A 33 4.995 0.780 1.016 1.00 0.00 N ATOM 513 CA TYR A 33 5.354 1.696 2.104 1.00 0.00 C ATOM 514 C TYR A 33 6.759 1.359 2.607 1.00 0.00 C ATOM 515 O TYR A 33 7.085 0.185 2.803 1.00 0.00 O ATOM 516 CB TYR A 33 4.336 1.582 3.260 1.00 0.00 C ATOM 517 CG TYR A 33 4.445 2.663 4.321 1.00 0.00 C ATOM 518 CD1 TYR A 33 3.986 3.957 4.087 1.00 0.00 C ATOM 519 CD2 TYR A 33 5.005 2.382 5.558 1.00 0.00 C ATOM 520 CE1 TYR A 33 4.081 4.934 5.060 1.00 0.00 C ATOM 521 CE2 TYR A 33 5.106 3.353 6.534 1.00 0.00 C ATOM 522 CZ TYR A 33 4.643 4.625 6.282 1.00 0.00 C ATOM 523 OH TYR A 33 4.735 5.588 7.259 1.00 0.00 O ATOM 0 H TYR A 33 5.535 -0.085 1.020 1.00 0.00 H new ATOM 0 HA TYR A 33 5.338 2.720 1.730 1.00 0.00 H new ATOM 0 HB2 TYR A 33 3.330 1.605 2.841 1.00 0.00 H new ATOM 0 HB3 TYR A 33 4.460 0.611 3.739 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.549 4.201 3.130 1.00 0.00 H new ATOM 0 HD2 TYR A 33 5.369 1.386 5.762 1.00 0.00 H new ATOM 0 HE1 TYR A 33 3.718 5.932 4.865 1.00 0.00 H new ATOM 0 HE2 TYR A 33 5.546 3.116 7.491 1.00 0.00 H new ATOM 0 HH TYR A 33 5.154 5.205 8.058 1.00 0.00 H new ATOM 533 N GLY A 34 7.578 2.394 2.811 1.00 0.00 N ATOM 534 CA GLY A 34 8.938 2.194 3.289 1.00 0.00 C ATOM 535 C GLY A 34 9.373 3.251 4.286 1.00 0.00 C ATOM 536 O GLY A 34 8.571 4.098 4.691 1.00 0.00 O ATOM 0 H GLY A 34 7.321 3.368 2.653 1.00 0.00 H new ATOM 0 HA2 GLY A 34 9.014 1.211 3.753 1.00 0.00 H new ATOM 0 HA3 GLY A 34 9.621 2.199 2.440 1.00 0.00 H new ATOM 540 N GLY A 35 10.653 3.195 4.675 1.00 0.00 N ATOM 541 CA GLY A 35 11.204 4.154 5.626 1.00 0.00 C ATOM 542 C GLY A 35 11.779 5.396 4.955 1.00 0.00 C ATOM 543 O GLY A 35 12.414 6.223 5.615 1.00 0.00 O ATOM 0 H GLY A 35 11.320 2.497 4.345 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.423 4.454 6.325 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.986 3.669 6.211 1.00 0.00 H new ATOM 547 N CYS A 36 11.545 5.518 3.642 1.00 0.00 N ATOM 548 CA CYS A 36 12.025 6.655 2.855 1.00 0.00 C ATOM 549 C CYS A 36 10.961 7.747 2.723 1.00 0.00 C ATOM 550 O CYS A 36 11.233 8.912 3.026 1.00 0.00 O ATOM 551 CB CYS A 36 12.530 6.197 1.475 1.00 0.00 C ATOM 552 SG CYS A 36 12.573 4.395 1.223 1.00 0.00 S ATOM 0 H CYS A 36 11.019 4.833 3.099 1.00 0.00 H new ATOM 0 HA CYS A 36 12.866 7.092 3.394 1.00 0.00 H new ATOM 0 HB2 CYS A 36 11.894 6.640 0.708 1.00 0.00 H new ATOM 0 HB3 CYS A 36 13.534 6.593 1.324 1.00 0.00 H new ATOM 557 N ARG A 37 9.753 7.369 2.285 1.00 0.00 N ATOM 558 CA ARG A 37 8.653 8.325 2.132 1.00 0.00 C ATOM 559 C ARG A 37 7.365 7.795 2.760 1.00 0.00 C ATOM 560 O ARG A 37 6.759 6.839 2.262 1.00 0.00 O ATOM 561 CB ARG A 37 8.422 8.680 0.653 1.00 0.00 C ATOM 562 CG ARG A 37 9.438 9.663 0.081 1.00 0.00 C ATOM 563 CD ARG A 37 10.698 8.967 -0.434 1.00 0.00 C ATOM 564 NE ARG A 37 11.758 9.916 -0.834 1.00 0.00 N ATOM 565 CZ ARG A 37 11.688 10.778 -1.869 1.00 0.00 C ATOM 566 NH1 ARG A 37 10.597 10.856 -2.629 1.00 0.00 N ATOM 567 NH2 ARG A 37 12.719 11.568 -2.134 1.00 0.00 N ATOM 0 H ARG A 37 9.515 6.410 2.031 1.00 0.00 H new ATOM 0 HA ARG A 37 8.940 9.235 2.660 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.447 7.764 0.063 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.423 9.102 0.544 1.00 0.00 H new ATOM 0 HG2 ARG A 37 8.978 10.224 -0.733 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.714 10.385 0.850 1.00 0.00 H new ATOM 0 HD2 ARG A 37 11.084 8.305 0.341 1.00 0.00 H new ATOM 0 HD3 ARG A 37 10.438 8.341 -1.287 1.00 0.00 H new ATOM 0 HE ARG A 37 12.615 9.919 -0.281 1.00 0.00 H new ATOM 0 HH11 ARG A 37 9.795 10.257 -2.433 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.564 11.514 -3.407 1.00 0.00 H new ATOM 0 HH21 ARG A 37 13.559 11.522 -1.557 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.673 12.222 -2.915 1.00 0.00 H new ATOM 581 N ALA A 38 6.964 8.432 3.864 1.00 0.00 N ATOM 582 CA ALA A 38 5.756 8.059 4.594 1.00 0.00 C ATOM 583 C ALA A 38 4.609 9.007 4.263 1.00 0.00 C ATOM 584 O ALA A 38 4.818 10.215 4.126 1.00 0.00 O ATOM 585 CB ALA A 38 6.031 8.074 6.088 1.00 0.00 C ATOM 0 H ALA A 38 7.468 9.218 4.273 1.00 0.00 H new ATOM 0 HA ALA A 38 5.466 7.053 4.292 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.126 7.795 6.627 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.825 7.364 6.319 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.340 9.074 6.391 1.00 0.00 H new ATOM 591 N LYS A 39 3.400 8.449 4.138 1.00 0.00 N ATOM 592 CA LYS A 39 2.211 9.242 3.826 1.00 0.00 C ATOM 593 C LYS A 39 1.216 9.213 4.993 1.00 0.00 C ATOM 594 O LYS A 39 1.585 8.877 6.123 1.00 0.00 O ATOM 595 CB LYS A 39 1.549 8.724 2.536 1.00 0.00 C ATOM 596 CG LYS A 39 1.482 9.750 1.407 1.00 0.00 C ATOM 597 CD LYS A 39 0.388 10.790 1.632 1.00 0.00 C ATOM 598 CE LYS A 39 0.339 11.801 0.497 1.00 0.00 C ATOM 599 NZ LYS A 39 -0.725 12.821 0.707 1.00 0.00 N ATOM 0 H LYS A 39 3.221 7.451 4.249 1.00 0.00 H new ATOM 0 HA LYS A 39 2.517 10.276 3.669 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.099 7.851 2.185 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.538 8.391 2.769 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.445 10.253 1.319 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.303 9.236 0.463 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.577 10.291 1.719 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.565 11.308 2.575 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.306 12.297 0.411 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.163 11.281 -0.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.725 13.491 -0.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.651 12.350 0.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.543 13.335 1.593 1.00 0.00 H new ATOM 613 N ARG A 40 -0.039 9.575 4.708 1.00 0.00 N ATOM 614 CA ARG A 40 -1.098 9.603 5.724 1.00 0.00 C ATOM 615 C ARG A 40 -2.310 8.760 5.309 1.00 0.00 C ATOM 616 O ARG A 40 -3.313 8.710 6.033 1.00 0.00 O ATOM 617 CB ARG A 40 -1.537 11.055 6.006 1.00 0.00 C ATOM 618 CG ARG A 40 -0.460 11.942 6.636 1.00 0.00 C ATOM 619 CD ARG A 40 -0.245 11.633 8.114 1.00 0.00 C ATOM 620 NE ARG A 40 0.787 12.489 8.711 1.00 0.00 N ATOM 621 CZ ARG A 40 1.179 12.433 9.992 1.00 0.00 C ATOM 622 NH1 ARG A 40 0.634 11.564 10.843 1.00 0.00 N ATOM 623 NH2 ARG A 40 2.124 13.256 10.424 1.00 0.00 N ATOM 0 H ARG A 40 -0.348 9.854 3.777 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.686 9.168 6.635 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.860 11.510 5.070 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.404 11.036 6.667 1.00 0.00 H new ATOM 0 HG2 ARG A 40 0.479 11.806 6.099 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.743 12.989 6.524 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.183 11.767 8.652 1.00 0.00 H new ATOM 0 HD3 ARG A 40 0.041 10.587 8.228 1.00 0.00 H new ATOM 0 HE ARG A 40 1.239 13.176 8.108 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.095 10.926 10.523 1.00 0.00 H new ATOM 0 HH12 ARG A 40 0.946 11.537 11.814 1.00 0.00 H new ATOM 0 HH21 ARG A 40 2.548 13.927 9.783 1.00 0.00 H new ATOM 0 HH22 ARG A 40 2.427 13.219 11.397 1.00 0.00 H new ATOM 637 N ASN A 41 -2.208 8.082 4.160 1.00 0.00 N ATOM 638 CA ASN A 41 -3.286 7.231 3.670 1.00 0.00 C ATOM 639 C ASN A 41 -2.800 5.786 3.541 1.00 0.00 C ATOM 640 O ASN A 41 -2.137 5.421 2.562 1.00 0.00 O ATOM 641 CB ASN A 41 -3.831 7.764 2.324 1.00 0.00 C ATOM 642 CG ASN A 41 -5.115 7.075 1.836 1.00 0.00 C ATOM 643 OD1 ASN A 41 -5.746 7.540 0.887 1.00 0.00 O ATOM 644 ND2 ASN A 41 -5.497 5.957 2.460 1.00 0.00 N ATOM 0 H ASN A 41 -1.387 8.110 3.555 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.105 7.250 4.389 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -4.022 8.833 2.422 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.060 7.647 1.563 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.334 5.462 2.153 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -4.951 5.598 3.244 1.00 0.00 H new ATOM 651 N ASN A 42 -3.156 4.978 4.539 1.00 0.00 N ATOM 652 CA ASN A 42 -2.794 3.566 4.572 1.00 0.00 C ATOM 653 C ASN A 42 -3.985 2.713 4.966 1.00 0.00 C ATOM 654 O ASN A 42 -4.672 3.008 5.950 1.00 0.00 O ATOM 655 CB ASN A 42 -1.674 3.295 5.573 1.00 0.00 C ATOM 656 CG ASN A 42 -0.287 3.786 5.155 1.00 0.00 C ATOM 657 OD1 ASN A 42 0.653 3.732 5.948 1.00 0.00 O ATOM 658 ND2 ASN A 42 -0.137 4.246 3.918 1.00 0.00 N ATOM 0 H ASN A 42 -3.702 5.285 5.344 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.457 3.309 3.568 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.936 3.764 6.521 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -1.622 2.221 5.752 1.00 0.00 H new ATOM 0 HD21 ASN A 42 0.778 4.568 3.601 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -0.936 4.278 3.285 1.00 0.00 H new ATOM 665 N PHE A 43 -4.213 1.646 4.201 1.00 0.00 N ATOM 666 CA PHE A 43 -5.313 0.721 4.469 1.00 0.00 C ATOM 667 C PHE A 43 -4.899 -0.721 4.179 1.00 0.00 C ATOM 668 O PHE A 43 -3.888 -0.954 3.509 1.00 0.00 O ATOM 669 CB PHE A 43 -6.538 1.122 3.652 1.00 0.00 C ATOM 670 CG PHE A 43 -7.274 2.299 4.230 1.00 0.00 C ATOM 671 CD1 PHE A 43 -8.232 2.119 5.216 1.00 0.00 C ATOM 672 CD2 PHE A 43 -6.997 3.585 3.800 1.00 0.00 C ATOM 673 CE1 PHE A 43 -8.901 3.198 5.757 1.00 0.00 C ATOM 674 CE2 PHE A 43 -7.661 4.670 4.338 1.00 0.00 C ATOM 675 CZ PHE A 43 -8.615 4.476 5.317 1.00 0.00 C ATOM 0 H PHE A 43 -3.648 1.400 3.388 1.00 0.00 H new ATOM 0 HA PHE A 43 -5.570 0.777 5.527 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -6.227 1.360 2.635 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -7.218 0.272 3.587 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -8.457 1.122 5.565 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -6.252 3.742 3.034 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -9.647 3.044 6.523 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -7.434 5.668 3.994 1.00 0.00 H new ATOM 0 HZ PHE A 43 -9.137 5.322 5.738 1.00 0.00 H new ATOM 685 N LYS A 44 -5.687 -1.689 4.673 1.00 0.00 N ATOM 686 CA LYS A 44 -5.408 -3.107 4.454 1.00 0.00 C ATOM 687 C LYS A 44 -6.274 -3.666 3.316 1.00 0.00 C ATOM 688 O LYS A 44 -5.782 -4.407 2.462 1.00 0.00 O ATOM 689 CB LYS A 44 -5.640 -3.898 5.761 1.00 0.00 C ATOM 690 CG LYS A 44 -5.010 -5.295 5.797 1.00 0.00 C ATOM 691 CD LYS A 44 -3.492 -5.243 5.965 1.00 0.00 C ATOM 692 CE LYS A 44 -2.872 -6.636 5.997 1.00 0.00 C ATOM 693 NZ LYS A 44 -2.981 -7.334 4.683 1.00 0.00 N ATOM 0 H LYS A 44 -6.524 -1.509 5.228 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.364 -3.216 4.160 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.245 -3.317 6.594 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.714 -3.996 5.922 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.445 -5.866 6.617 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.253 -5.825 4.876 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.056 -4.671 5.146 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.247 -4.716 6.887 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -1.822 -6.558 6.278 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.364 -7.233 6.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.473 -8.240 4.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.983 -7.509 4.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.564 -6.740 3.939 1.00 0.00 H new ATOM 707 N SER A 45 -7.574 -3.318 3.333 1.00 0.00 N ATOM 708 CA SER A 45 -8.528 -3.792 2.325 1.00 0.00 C ATOM 709 C SER A 45 -9.448 -2.665 1.843 1.00 0.00 C ATOM 710 O SER A 45 -9.593 -1.631 2.512 1.00 0.00 O ATOM 711 CB SER A 45 -9.368 -4.943 2.895 1.00 0.00 C ATOM 712 OG SER A 45 -8.547 -6.032 3.279 1.00 0.00 O ATOM 0 H SER A 45 -7.985 -2.707 4.039 1.00 0.00 H new ATOM 0 HA SER A 45 -7.956 -4.147 1.468 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.936 -4.591 3.756 1.00 0.00 H new ATOM 0 HB3 SER A 45 -10.091 -5.274 2.149 1.00 0.00 H new ATOM 0 HG SER A 45 -9.106 -6.751 3.640 1.00 0.00 H new ATOM 718 N ALA A 46 -10.076 -2.887 0.672 1.00 0.00 N ATOM 719 CA ALA A 46 -10.999 -1.919 0.054 1.00 0.00 C ATOM 720 C ALA A 46 -12.226 -1.630 0.930 1.00 0.00 C ATOM 721 O ALA A 46 -12.822 -0.554 0.826 1.00 0.00 O ATOM 722 CB ALA A 46 -11.439 -2.421 -1.313 1.00 0.00 C ATOM 0 H ALA A 46 -9.957 -3.742 0.129 1.00 0.00 H new ATOM 0 HA ALA A 46 -10.456 -0.980 -0.054 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -12.121 -1.700 -1.763 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.566 -2.544 -1.954 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.946 -3.380 -1.203 1.00 0.00 H new ATOM 728 N GLU A 47 -12.588 -2.598 1.794 1.00 0.00 N ATOM 729 CA GLU A 47 -13.739 -2.459 2.704 1.00 0.00 C ATOM 730 C GLU A 47 -13.530 -1.244 3.631 1.00 0.00 C ATOM 731 O GLU A 47 -14.207 -0.220 3.474 1.00 0.00 O ATOM 732 CB GLU A 47 -13.940 -3.763 3.506 1.00 0.00 C ATOM 733 CG GLU A 47 -15.301 -3.877 4.196 1.00 0.00 C ATOM 734 CD GLU A 47 -15.484 -5.171 4.986 1.00 0.00 C ATOM 735 OE1 GLU A 47 -14.555 -6.010 5.012 1.00 0.00 O ATOM 736 OE2 GLU A 47 -16.569 -5.343 5.581 1.00 0.00 O ATOM 0 H GLU A 47 -12.097 -3.488 1.880 1.00 0.00 H new ATOM 0 HA GLU A 47 -14.645 -2.285 2.124 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.815 -4.612 2.834 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.157 -3.836 4.260 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -15.429 -3.030 4.870 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -16.087 -3.807 3.444 1.00 0.00 H new ATOM 743 N ASP A 48 -12.578 -1.359 4.578 1.00 0.00 N ATOM 744 CA ASP A 48 -12.252 -0.276 5.518 1.00 0.00 C ATOM 745 C ASP A 48 -11.809 0.986 4.753 1.00 0.00 C ATOM 746 O ASP A 48 -12.181 2.101 5.122 1.00 0.00 O ATOM 747 CB ASP A 48 -11.149 -0.746 6.483 1.00 0.00 C ATOM 748 CG ASP A 48 -10.956 0.174 7.678 1.00 0.00 C ATOM 749 OD1 ASP A 48 -10.568 1.342 7.471 1.00 0.00 O ATOM 750 OD2 ASP A 48 -11.193 -0.276 8.819 1.00 0.00 O ATOM 0 H ASP A 48 -12.018 -2.201 4.710 1.00 0.00 H new ATOM 0 HA ASP A 48 -13.141 -0.023 6.096 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.392 -1.747 6.840 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -10.208 -0.822 5.938 1.00 0.00 H new ATOM 755 N CYS A 49 -11.018 0.777 3.683 1.00 0.00 N ATOM 756 CA CYS A 49 -10.513 1.875 2.835 1.00 0.00 C ATOM 757 C CYS A 49 -11.657 2.786 2.347 1.00 0.00 C ATOM 758 O CYS A 49 -11.649 3.994 2.610 1.00 0.00 O ATOM 759 CB CYS A 49 -9.724 1.310 1.645 1.00 0.00 C ATOM 760 SG CYS A 49 -9.064 2.579 0.515 1.00 0.00 S ATOM 0 H CYS A 49 -10.713 -0.149 3.384 1.00 0.00 H new ATOM 0 HA CYS A 49 -9.844 2.486 3.441 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -8.896 0.711 2.024 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -10.371 0.638 1.081 1.00 0.00 H new ATOM 765 N MET A 50 -12.634 2.192 1.642 1.00 0.00 N ATOM 766 CA MET A 50 -13.793 2.913 1.108 1.00 0.00 C ATOM 767 C MET A 50 -14.693 3.496 2.208 1.00 0.00 C ATOM 768 O MET A 50 -15.170 4.628 2.083 1.00 0.00 O ATOM 769 CB MET A 50 -14.611 1.967 0.230 1.00 0.00 C ATOM 770 CG MET A 50 -14.234 1.999 -1.240 1.00 0.00 C ATOM 771 SD MET A 50 -14.619 3.580 -2.017 1.00 0.00 S ATOM 772 CE MET A 50 -14.322 3.189 -3.737 1.00 0.00 C ATOM 0 H MET A 50 -12.639 1.195 1.428 1.00 0.00 H new ATOM 0 HA MET A 50 -13.413 3.753 0.527 1.00 0.00 H new ATOM 0 HB2 MET A 50 -14.491 0.949 0.602 1.00 0.00 H new ATOM 0 HB3 MET A 50 -15.667 2.220 0.328 1.00 0.00 H new ATOM 0 HG2 MET A 50 -13.168 1.797 -1.343 1.00 0.00 H new ATOM 0 HG3 MET A 50 -14.761 1.202 -1.764 1.00 0.00 H new ATOM 0 HE1 MET A 50 -14.343 4.105 -4.327 1.00 0.00 H new ATOM 0 HE2 MET A 50 -13.346 2.714 -3.839 1.00 0.00 H new ATOM 0 HE3 MET A 50 -15.095 2.509 -4.094 1.00 0.00 H new ATOM 782 N ARG A 51 -14.931 2.705 3.271 1.00 0.00 N ATOM 783 CA ARG A 51 -15.796 3.113 4.393 1.00 0.00 C ATOM 784 C ARG A 51 -15.168 4.224 5.260 1.00 0.00 C ATOM 785 O ARG A 51 -15.896 4.972 5.920 1.00 0.00 O ATOM 786 CB ARG A 51 -16.124 1.881 5.262 1.00 0.00 C ATOM 787 CG ARG A 51 -17.322 2.047 6.209 1.00 0.00 C ATOM 788 CD ARG A 51 -18.669 2.008 5.474 1.00 0.00 C ATOM 789 NE ARG A 51 -18.968 0.692 4.871 1.00 0.00 N ATOM 790 CZ ARG A 51 -19.289 -0.421 5.557 1.00 0.00 C ATOM 791 NH1 ARG A 51 -19.364 -0.413 6.887 1.00 0.00 N ATOM 792 NH2 ARG A 51 -19.538 -1.546 4.900 1.00 0.00 N ATOM 0 H ARG A 51 -14.532 1.772 3.376 1.00 0.00 H new ATOM 0 HA ARG A 51 -16.709 3.528 3.967 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -16.316 1.034 4.604 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -15.245 1.631 5.855 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -17.299 1.256 6.959 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -17.231 2.994 6.741 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -19.464 2.269 6.173 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -18.670 2.767 4.692 1.00 0.00 H new ATOM 0 HE ARG A 51 -18.928 0.622 3.854 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -19.177 0.447 7.403 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -19.609 -1.266 7.389 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -19.486 -1.564 3.882 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -19.782 -2.393 5.413 1.00 0.00 H new ATOM 806 N THR A 52 -13.832 4.320 5.260 1.00 0.00 N ATOM 807 CA THR A 52 -13.129 5.335 6.055 1.00 0.00 C ATOM 808 C THR A 52 -12.916 6.627 5.252 1.00 0.00 C ATOM 809 O THR A 52 -13.070 7.722 5.802 1.00 0.00 O ATOM 810 CB THR A 52 -11.794 4.776 6.578 1.00 0.00 C ATOM 811 OG1 THR A 52 -12.008 3.557 7.263 1.00 0.00 O ATOM 812 CG2 THR A 52 -11.060 5.695 7.543 1.00 0.00 C ATOM 0 H THR A 52 -13.218 3.710 4.720 1.00 0.00 H new ATOM 0 HA THR A 52 -13.753 5.587 6.912 1.00 0.00 H new ATOM 0 HB THR A 52 -11.180 4.655 5.686 1.00 0.00 H new ATOM 0 HG1 THR A 52 -11.793 2.807 6.670 1.00 0.00 H new ATOM 0 HG21 THR A 52 -10.131 5.222 7.861 1.00 0.00 H new ATOM 0 HG22 THR A 52 -10.835 6.639 7.047 1.00 0.00 H new ATOM 0 HG23 THR A 52 -11.687 5.884 8.414 1.00 0.00 H new ATOM 820 N CYS A 53 -12.565 6.502 3.960 1.00 0.00 N ATOM 821 CA CYS A 53 -12.344 7.683 3.119 1.00 0.00 C ATOM 822 C CYS A 53 -13.670 8.149 2.498 1.00 0.00 C ATOM 823 O CYS A 53 -14.053 9.313 2.659 1.00 0.00 O ATOM 824 CB CYS A 53 -11.258 7.410 2.046 1.00 0.00 C ATOM 825 SG CYS A 53 -11.761 7.680 0.307 1.00 0.00 S ATOM 0 H CYS A 53 -12.431 5.609 3.485 1.00 0.00 H new ATOM 0 HA CYS A 53 -11.969 8.494 3.744 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -10.399 8.046 2.258 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -10.924 6.378 2.151 1.00 0.00 H new ATOM 830 N GLY A 54 -14.361 7.238 1.795 1.00 0.00 N ATOM 831 CA GLY A 54 -15.630 7.573 1.163 1.00 0.00 C ATOM 832 C GLY A 54 -16.826 7.131 1.985 1.00 0.00 C ATOM 833 O GLY A 54 -17.724 6.459 1.466 1.00 0.00 O ATOM 0 H GLY A 54 -14.059 6.274 1.655 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -15.680 8.650 1.006 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -15.677 7.105 0.180 1.00 0.00 H new