USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 528 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 13 LYS NZ :NH3+ 180:sc=-0.000456 (180deg=0) USER MOD Set 1.2: A 17 LYS NZ :NH3+ 168:sc= -0.325 (180deg=-0.653) USER MOD Single : A 16 THR OG1 : rot -96:sc= -4.25! USER MOD Single : A 21 ASN : amide:sc= -7.2! C(o=-7.2!,f=-7.4!) USER MOD Single : A 22 ASN :FLIP amide:sc= -5.51! C(o=-11!,f=-5.5!) USER MOD Single : A 23 LYS NZ :NH3+ -174:sc= -0.109 (180deg=-0.146) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.419 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 161:sc= -0.0214 (180deg=-0.235) USER MOD Single : A 35 MET CE :methyl 157:sc= -0.53 (180deg=-1.39!) USER MOD Single : A 37 SER OG : rot -74:sc= 0.185 USER MOD Single : A 38 LYS NZ :NH3+ 153:sc= -0.0902 (180deg=-0.656) USER MOD Single : A 41 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.00722) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -54:sc= 0.366 USER MOD Single : A 48 GLN : amide:sc= -1.59 K(o=-1.6,f=-2.2!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -44:sc= 0.0837 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl -157:sc= -1.77 (180deg=-3.19!) USER MOD ----------------------------------------------------------------- ATOM 104 N CYS A 8 11.306 -1.102 9.360 1.00 0.00 N ATOM 105 CA CYS A 8 10.450 -1.197 8.141 1.00 0.00 C ATOM 106 C CYS A 8 10.281 -2.665 7.731 1.00 0.00 C ATOM 107 O CYS A 8 9.352 -3.018 7.033 1.00 0.00 O ATOM 108 CB CYS A 8 11.099 -0.405 6.999 1.00 0.00 C ATOM 109 SG CYS A 8 12.451 -1.363 6.278 1.00 0.00 S ATOM 0 HA CYS A 8 9.467 -0.779 8.357 1.00 0.00 H new ATOM 0 HB2 CYS A 8 10.356 -0.176 6.235 1.00 0.00 H new ATOM 0 HB3 CYS A 8 11.475 0.547 7.373 1.00 0.00 H new ATOM 114 N GLU A 9 11.167 -3.529 8.162 1.00 0.00 N ATOM 115 CA GLU A 9 11.032 -4.984 7.788 1.00 0.00 C ATOM 116 C GLU A 9 10.230 -5.712 8.868 1.00 0.00 C ATOM 117 O GLU A 9 9.599 -6.716 8.609 1.00 0.00 O ATOM 118 CB GLU A 9 12.409 -5.666 7.644 1.00 0.00 C ATOM 119 CG GLU A 9 13.201 -5.014 6.507 1.00 0.00 C ATOM 120 CD GLU A 9 14.674 -5.414 6.613 1.00 0.00 C ATOM 121 OE1 GLU A 9 14.944 -6.604 6.639 1.00 0.00 O ATOM 122 OE2 GLU A 9 15.507 -4.524 6.667 1.00 0.00 O ATOM 0 H GLU A 9 11.970 -3.301 8.749 1.00 0.00 H new ATOM 0 HA GLU A 9 10.521 -5.036 6.827 1.00 0.00 H new ATOM 0 HB2 GLU A 9 12.964 -5.584 8.578 1.00 0.00 H new ATOM 0 HB3 GLU A 9 12.278 -6.729 7.444 1.00 0.00 H new ATOM 0 HG2 GLU A 9 12.797 -5.326 5.544 1.00 0.00 H new ATOM 0 HG3 GLU A 9 13.104 -3.930 6.558 1.00 0.00 H new ATOM 129 N PHE A 10 10.249 -5.217 10.076 1.00 0.00 N ATOM 130 CA PHE A 10 9.485 -5.890 11.166 1.00 0.00 C ATOM 131 C PHE A 10 8.012 -5.482 11.092 1.00 0.00 C ATOM 132 O PHE A 10 7.129 -6.251 11.418 1.00 0.00 O ATOM 133 CB PHE A 10 10.061 -5.473 12.522 1.00 0.00 C ATOM 134 CG PHE A 10 9.231 -6.080 13.630 1.00 0.00 C ATOM 135 CD1 PHE A 10 9.361 -7.440 13.937 1.00 0.00 C ATOM 136 CD2 PHE A 10 8.332 -5.283 14.351 1.00 0.00 C ATOM 137 CE1 PHE A 10 8.593 -8.003 14.963 1.00 0.00 C ATOM 138 CE2 PHE A 10 7.564 -5.847 15.378 1.00 0.00 C ATOM 139 CZ PHE A 10 7.695 -7.207 15.683 1.00 0.00 C ATOM 0 H PHE A 10 10.759 -4.379 10.355 1.00 0.00 H new ATOM 0 HA PHE A 10 9.566 -6.971 11.050 1.00 0.00 H new ATOM 0 HB2 PHE A 10 11.096 -5.803 12.606 1.00 0.00 H new ATOM 0 HB3 PHE A 10 10.064 -4.386 12.609 1.00 0.00 H new ATOM 0 HD1 PHE A 10 10.054 -8.055 13.382 1.00 0.00 H new ATOM 0 HD2 PHE A 10 8.231 -4.234 14.115 1.00 0.00 H new ATOM 0 HE1 PHE A 10 8.694 -9.052 15.199 1.00 0.00 H new ATOM 0 HE2 PHE A 10 6.871 -5.233 15.934 1.00 0.00 H new ATOM 0 HZ PHE A 10 7.103 -7.642 16.474 1.00 0.00 H new ATOM 149 N LEU A 11 7.737 -4.277 10.670 1.00 0.00 N ATOM 150 CA LEU A 11 6.318 -3.821 10.581 1.00 0.00 C ATOM 151 C LEU A 11 5.719 -4.245 9.239 1.00 0.00 C ATOM 152 O LEU A 11 4.630 -4.779 9.177 1.00 0.00 O ATOM 153 CB LEU A 11 6.264 -2.294 10.693 1.00 0.00 C ATOM 154 CG LEU A 11 6.842 -1.843 12.040 1.00 0.00 C ATOM 155 CD1 LEU A 11 6.974 -0.317 12.042 1.00 0.00 C ATOM 156 CD2 LEU A 11 5.918 -2.283 13.192 1.00 0.00 C ATOM 0 H LEU A 11 8.433 -3.588 10.383 1.00 0.00 H new ATOM 0 HA LEU A 11 5.747 -4.272 11.393 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.828 -1.842 9.877 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.234 -1.951 10.597 1.00 0.00 H new ATOM 0 HG LEU A 11 7.821 -2.301 12.182 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.384 0.011 12.997 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.639 -0.008 11.236 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.992 0.133 11.895 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.340 -1.956 14.142 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.933 -1.835 13.060 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.826 -3.369 13.190 1.00 0.00 H new ATOM 168 N VAL A 12 6.413 -4.002 8.161 1.00 0.00 N ATOM 169 CA VAL A 12 5.867 -4.383 6.828 1.00 0.00 C ATOM 170 C VAL A 12 5.716 -5.905 6.744 1.00 0.00 C ATOM 171 O VAL A 12 4.864 -6.400 6.042 1.00 0.00 O ATOM 172 CB VAL A 12 6.806 -3.897 5.719 1.00 0.00 C ATOM 173 CG1 VAL A 12 6.177 -4.188 4.354 1.00 0.00 C ATOM 174 CG2 VAL A 12 7.037 -2.385 5.860 1.00 0.00 C ATOM 0 H VAL A 12 7.331 -3.558 8.145 1.00 0.00 H new ATOM 0 HA VAL A 12 4.890 -3.916 6.699 1.00 0.00 H new ATOM 0 HB VAL A 12 7.760 -4.418 5.802 1.00 0.00 H new ATOM 0 HG11 VAL A 12 6.845 -3.842 3.565 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.016 -5.261 4.249 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.222 -3.668 4.275 1.00 0.00 H new ATOM 0 HG21 VAL A 12 7.705 -2.044 5.069 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.084 -1.862 5.780 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.486 -2.174 6.831 1.00 0.00 H new ATOM 184 N LYS A 13 6.532 -6.645 7.455 1.00 0.00 N ATOM 185 CA LYS A 13 6.433 -8.138 7.418 1.00 0.00 C ATOM 186 C LYS A 13 5.320 -8.600 8.367 1.00 0.00 C ATOM 187 O LYS A 13 4.612 -9.549 8.093 1.00 0.00 O ATOM 188 CB LYS A 13 7.768 -8.734 7.864 1.00 0.00 C ATOM 189 CG LYS A 13 7.723 -10.292 7.826 1.00 0.00 C ATOM 190 CD LYS A 13 8.150 -10.880 9.181 1.00 0.00 C ATOM 191 CE LYS A 13 6.996 -10.765 10.181 1.00 0.00 C ATOM 192 NZ LYS A 13 7.379 -11.427 11.459 1.00 0.00 N ATOM 0 H LYS A 13 7.265 -6.278 8.062 1.00 0.00 H new ATOM 0 HA LYS A 13 6.201 -8.470 6.406 1.00 0.00 H new ATOM 0 HB2 LYS A 13 8.566 -8.373 7.215 1.00 0.00 H new ATOM 0 HB3 LYS A 13 8.002 -8.398 8.874 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.715 -10.626 7.580 1.00 0.00 H new ATOM 0 HG3 LYS A 13 8.382 -10.661 7.040 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.437 -11.925 9.061 1.00 0.00 H new ATOM 0 HD3 LYS A 13 9.025 -10.351 9.558 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.758 -9.716 10.359 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.099 -11.230 9.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.596 -11.349 12.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.585 -12.431 11.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.224 -10.964 11.850 1.00 0.00 H new ATOM 206 N GLU A 14 5.155 -7.938 9.481 1.00 0.00 N ATOM 207 CA GLU A 14 4.079 -8.342 10.430 1.00 0.00 C ATOM 208 C GLU A 14 2.731 -7.964 9.816 1.00 0.00 C ATOM 209 O GLU A 14 1.894 -8.802 9.545 1.00 0.00 O ATOM 210 CB GLU A 14 4.265 -7.611 11.762 1.00 0.00 C ATOM 211 CG GLU A 14 3.249 -8.133 12.779 1.00 0.00 C ATOM 212 CD GLU A 14 3.521 -7.498 14.144 1.00 0.00 C ATOM 213 OE1 GLU A 14 4.598 -7.715 14.673 1.00 0.00 O ATOM 214 OE2 GLU A 14 2.646 -6.806 14.639 1.00 0.00 O ATOM 0 H GLU A 14 5.717 -7.138 9.773 1.00 0.00 H new ATOM 0 HA GLU A 14 4.120 -9.416 10.611 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.278 -7.763 12.134 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.135 -6.538 11.621 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.237 -7.897 12.451 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.316 -9.219 12.851 1.00 0.00 H new ATOM 221 N VAL A 15 2.525 -6.701 9.569 1.00 0.00 N ATOM 222 CA VAL A 15 1.247 -6.256 8.944 1.00 0.00 C ATOM 223 C VAL A 15 0.910 -7.208 7.803 1.00 0.00 C ATOM 224 O VAL A 15 -0.221 -7.597 7.628 1.00 0.00 O ATOM 225 CB VAL A 15 1.398 -4.821 8.426 1.00 0.00 C ATOM 226 CG1 VAL A 15 2.306 -4.799 7.194 1.00 0.00 C ATOM 227 CG2 VAL A 15 0.018 -4.273 8.061 1.00 0.00 C ATOM 0 H VAL A 15 3.189 -5.954 9.774 1.00 0.00 H new ATOM 0 HA VAL A 15 0.440 -6.270 9.677 1.00 0.00 H new ATOM 0 HB VAL A 15 1.847 -4.201 9.202 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.406 -3.775 6.834 1.00 0.00 H new ATOM 0 HG12 VAL A 15 3.289 -5.188 7.459 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.870 -5.418 6.410 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.118 -3.252 7.692 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.428 -4.897 7.287 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.621 -4.278 8.944 1.00 0.00 H new ATOM 237 N THR A 16 1.897 -7.624 7.056 1.00 0.00 N ATOM 238 CA THR A 16 1.627 -8.588 5.963 1.00 0.00 C ATOM 239 C THR A 16 0.916 -9.801 6.571 1.00 0.00 C ATOM 240 O THR A 16 -0.058 -10.288 6.045 1.00 0.00 O ATOM 241 CB THR A 16 2.959 -9.015 5.319 1.00 0.00 C ATOM 242 OG1 THR A 16 4.012 -8.496 6.091 1.00 0.00 O ATOM 243 CG2 THR A 16 3.052 -8.466 3.895 1.00 0.00 C ATOM 0 H THR A 16 2.871 -7.338 7.158 1.00 0.00 H new ATOM 0 HA THR A 16 1.000 -8.138 5.193 1.00 0.00 H new ATOM 0 HB THR A 16 3.018 -10.103 5.280 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.321 -7.653 5.698 1.00 0.00 H new ATOM 0 HG21 THR A 16 3.997 -8.773 3.448 1.00 0.00 H new ATOM 0 HG22 THR A 16 2.226 -8.855 3.300 1.00 0.00 H new ATOM 0 HG23 THR A 16 2.999 -7.378 3.921 1.00 0.00 H new ATOM 251 N LYS A 17 1.401 -10.289 7.686 1.00 0.00 N ATOM 252 CA LYS A 17 0.751 -11.469 8.333 1.00 0.00 C ATOM 253 C LYS A 17 -0.762 -11.254 8.364 1.00 0.00 C ATOM 254 O LYS A 17 -1.533 -12.178 8.195 1.00 0.00 O ATOM 255 CB LYS A 17 1.279 -11.637 9.767 1.00 0.00 C ATOM 256 CG LYS A 17 2.790 -11.938 9.744 1.00 0.00 C ATOM 257 CD LYS A 17 3.029 -13.438 9.531 1.00 0.00 C ATOM 258 CE LYS A 17 4.528 -13.733 9.609 1.00 0.00 C ATOM 259 NZ LYS A 17 5.026 -13.413 10.977 1.00 0.00 N ATOM 0 H LYS A 17 2.217 -9.922 8.175 1.00 0.00 H new ATOM 0 HA LYS A 17 0.983 -12.369 7.763 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.090 -10.730 10.341 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.747 -12.447 10.266 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.269 -11.369 8.947 1.00 0.00 H new ATOM 0 HG3 LYS A 17 3.246 -11.619 10.681 1.00 0.00 H new ATOM 0 HD2 LYS A 17 2.495 -14.013 10.287 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.637 -13.745 8.561 1.00 0.00 H new ATOM 0 HE2 LYS A 17 4.716 -14.782 9.378 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.065 -13.142 8.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 5.985 -13.798 11.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 5.049 -12.381 11.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 4.393 -13.836 11.685 1.00 0.00 H new ATOM 273 N LEU A 18 -1.193 -10.034 8.558 1.00 0.00 N ATOM 274 CA LEU A 18 -2.670 -9.751 8.575 1.00 0.00 C ATOM 275 C LEU A 18 -3.096 -9.338 7.165 1.00 0.00 C ATOM 276 O LEU A 18 -3.984 -9.913 6.572 1.00 0.00 O ATOM 277 CB LEU A 18 -3.014 -8.619 9.587 1.00 0.00 C ATOM 278 CG LEU A 18 -1.828 -8.342 10.508 1.00 0.00 C ATOM 279 CD1 LEU A 18 -2.133 -7.097 11.340 1.00 0.00 C ATOM 280 CD2 LEU A 18 -1.610 -9.551 11.430 1.00 0.00 C ATOM 0 H LEU A 18 -0.594 -9.222 8.705 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.205 -10.647 8.889 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.282 -7.711 9.047 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.883 -8.906 10.180 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.924 -8.175 9.922 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.293 -6.888 12.003 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.293 -6.247 10.677 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.031 -7.267 11.934 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.764 -9.358 12.090 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.506 -9.719 12.028 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.405 -10.436 10.827 1.00 0.00 H new ATOM 292 N ILE A 19 -2.451 -8.353 6.619 1.00 0.00 N ATOM 293 CA ILE A 19 -2.789 -7.904 5.252 1.00 0.00 C ATOM 294 C ILE A 19 -2.754 -9.128 4.328 1.00 0.00 C ATOM 295 O ILE A 19 -3.400 -9.165 3.301 1.00 0.00 O ATOM 296 CB ILE A 19 -1.731 -6.854 4.844 1.00 0.00 C ATOM 297 CG1 ILE A 19 -2.278 -5.431 5.014 1.00 0.00 C ATOM 298 CG2 ILE A 19 -1.260 -7.038 3.398 1.00 0.00 C ATOM 299 CD1 ILE A 19 -1.128 -4.413 4.943 1.00 0.00 C ATOM 0 H ILE A 19 -1.696 -7.835 7.068 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.781 -7.457 5.190 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.878 -7.003 5.506 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.011 -5.219 4.235 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.794 -5.343 5.970 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -0.517 -6.277 3.158 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -0.817 -8.027 3.283 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.110 -6.941 2.723 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.526 -3.406 5.065 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.411 -4.618 5.738 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.631 -4.492 3.976 1.00 0.00 H new ATOM 311 N ASP A 20 -1.995 -10.128 4.696 1.00 0.00 N ATOM 312 CA ASP A 20 -1.899 -11.352 3.852 1.00 0.00 C ATOM 313 C ASP A 20 -3.314 -11.774 3.435 1.00 0.00 C ATOM 314 O ASP A 20 -3.620 -11.887 2.267 1.00 0.00 O ATOM 315 CB ASP A 20 -1.239 -12.483 4.653 1.00 0.00 C ATOM 316 CG ASP A 20 -1.357 -13.802 3.885 1.00 0.00 C ATOM 317 OD1 ASP A 20 -1.058 -13.806 2.702 1.00 0.00 O ATOM 318 OD2 ASP A 20 -1.745 -14.786 4.494 1.00 0.00 O ATOM 0 H ASP A 20 -1.436 -10.147 5.549 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.296 -11.146 2.968 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.190 -12.249 4.832 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -1.716 -12.576 5.629 1.00 0.00 H new ATOM 323 N ASN A 21 -4.185 -11.995 4.390 1.00 0.00 N ATOM 324 CA ASN A 21 -5.579 -12.392 4.048 1.00 0.00 C ATOM 325 C ASN A 21 -6.528 -12.044 5.194 1.00 0.00 C ATOM 326 O ASN A 21 -7.236 -12.889 5.705 1.00 0.00 O ATOM 327 CB ASN A 21 -5.647 -13.893 3.773 1.00 0.00 C ATOM 328 CG ASN A 21 -4.621 -14.268 2.702 1.00 0.00 C ATOM 329 OD1 ASN A 21 -3.596 -14.846 3.002 1.00 0.00 O ATOM 330 ND2 ASN A 21 -4.856 -13.961 1.456 1.00 0.00 N ATOM 0 H ASN A 21 -3.988 -11.917 5.388 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.881 -11.846 3.154 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.450 -14.450 4.689 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.649 -14.167 3.442 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.179 -14.206 0.734 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.717 -13.476 1.204 1.00 0.00 H new ATOM 337 N ASN A 22 -6.563 -10.794 5.582 1.00 0.00 N ATOM 338 CA ASN A 22 -7.482 -10.354 6.677 1.00 0.00 C ATOM 339 C ASN A 22 -8.552 -9.454 6.066 1.00 0.00 C ATOM 340 O ASN A 22 -9.733 -9.634 6.286 1.00 0.00 O ATOM 341 CB ASN A 22 -6.691 -9.574 7.725 1.00 0.00 C ATOM 342 CG ASN A 22 -5.781 -10.534 8.489 1.00 0.00 C ATOM 343 OD1 ASN A 22 -5.188 -11.506 7.848 1.00 0.00 O flip ATOM 344 ND2 ASN A 22 -5.611 -10.405 9.685 1.00 0.00 N flip ATOM 0 H ASN A 22 -5.988 -10.052 5.183 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.944 -11.218 7.155 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -6.097 -8.797 7.245 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.372 -9.075 8.414 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -6.073 -9.647 10.187 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -5.006 -11.055 10.187 1.00 0.00 H new ATOM 351 N LYS A 23 -8.134 -8.497 5.276 1.00 0.00 N ATOM 352 CA LYS A 23 -9.097 -7.571 4.603 1.00 0.00 C ATOM 353 C LYS A 23 -8.922 -7.715 3.088 1.00 0.00 C ATOM 354 O LYS A 23 -7.858 -7.487 2.548 1.00 0.00 O ATOM 355 CB LYS A 23 -8.824 -6.129 5.060 1.00 0.00 C ATOM 356 CG LYS A 23 -7.457 -5.630 4.532 1.00 0.00 C ATOM 357 CD LYS A 23 -7.652 -4.819 3.234 1.00 0.00 C ATOM 358 CE LYS A 23 -6.377 -4.866 2.387 1.00 0.00 C ATOM 359 NZ LYS A 23 -5.254 -4.248 3.147 1.00 0.00 N ATOM 0 H LYS A 23 -7.153 -8.315 5.066 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.125 -7.818 4.869 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -9.618 -5.474 4.702 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.837 -6.080 6.149 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.971 -5.011 5.287 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.800 -6.479 4.344 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.490 -5.223 2.666 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.899 -3.785 3.476 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.134 -5.898 2.133 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.531 -4.334 1.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.414 -4.187 2.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.528 -3.293 3.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.035 -4.832 3.979 1.00 0.00 H new ATOM 373 N THR A 24 -9.953 -8.120 2.396 1.00 0.00 N ATOM 374 CA THR A 24 -9.838 -8.306 0.919 1.00 0.00 C ATOM 375 C THR A 24 -10.110 -6.981 0.198 1.00 0.00 C ATOM 376 O THR A 24 -10.181 -5.932 0.807 1.00 0.00 O ATOM 377 CB THR A 24 -10.844 -9.365 0.463 1.00 0.00 C ATOM 378 OG1 THR A 24 -12.132 -9.040 0.966 1.00 0.00 O ATOM 379 CG2 THR A 24 -10.415 -10.737 0.997 1.00 0.00 C ATOM 0 H THR A 24 -10.870 -8.330 2.789 1.00 0.00 H new ATOM 0 HA THR A 24 -8.828 -8.635 0.674 1.00 0.00 H new ATOM 0 HB THR A 24 -10.877 -9.394 -0.626 1.00 0.00 H new ATOM 0 HG1 THR A 24 -12.778 -9.717 0.673 1.00 0.00 H new ATOM 0 HG21 THR A 24 -11.130 -11.493 0.673 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.426 -10.984 0.611 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.383 -10.710 2.086 1.00 0.00 H new ATOM 387 N GLU A 25 -10.247 -7.022 -1.102 1.00 0.00 N ATOM 388 CA GLU A 25 -10.495 -5.769 -1.877 1.00 0.00 C ATOM 389 C GLU A 25 -11.990 -5.439 -1.900 1.00 0.00 C ATOM 390 O GLU A 25 -12.430 -4.593 -2.651 1.00 0.00 O ATOM 391 CB GLU A 25 -9.998 -5.955 -3.314 1.00 0.00 C ATOM 392 CG GLU A 25 -8.558 -6.477 -3.298 1.00 0.00 C ATOM 393 CD GLU A 25 -8.554 -7.966 -2.946 1.00 0.00 C ATOM 394 OE1 GLU A 25 -9.165 -8.728 -3.676 1.00 0.00 O ATOM 395 OE2 GLU A 25 -7.940 -8.317 -1.952 1.00 0.00 O ATOM 0 H GLU A 25 -10.198 -7.873 -1.663 1.00 0.00 H new ATOM 0 HA GLU A 25 -9.960 -4.949 -1.399 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.643 -6.655 -3.845 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.046 -5.008 -3.851 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.094 -6.322 -4.272 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.967 -5.920 -2.571 1.00 0.00 H new ATOM 402 N LYS A 26 -12.778 -6.084 -1.082 1.00 0.00 N ATOM 403 CA LYS A 26 -14.235 -5.780 -1.068 1.00 0.00 C ATOM 404 C LYS A 26 -14.458 -4.580 -0.156 1.00 0.00 C ATOM 405 O LYS A 26 -15.144 -3.636 -0.500 1.00 0.00 O ATOM 406 CB LYS A 26 -15.010 -6.986 -0.523 1.00 0.00 C ATOM 407 CG LYS A 26 -15.139 -8.067 -1.610 1.00 0.00 C ATOM 408 CD LYS A 26 -13.758 -8.706 -1.928 1.00 0.00 C ATOM 409 CE LYS A 26 -13.213 -8.175 -3.262 1.00 0.00 C ATOM 410 NZ LYS A 26 -13.907 -8.859 -4.389 1.00 0.00 N ATOM 0 H LYS A 26 -12.476 -6.805 -0.426 1.00 0.00 H new ATOM 0 HA LYS A 26 -14.585 -5.563 -2.077 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -14.497 -7.394 0.348 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -16.000 -6.672 -0.192 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -15.833 -8.839 -1.279 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -15.558 -7.629 -2.516 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -13.054 -8.482 -1.126 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -13.855 -9.791 -1.974 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -13.366 -7.098 -3.327 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -12.139 -8.349 -3.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -13.538 -8.500 -5.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -13.739 -9.884 -4.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -14.928 -8.672 -4.333 1.00 0.00 H new ATOM 424 N GLU A 27 -13.871 -4.610 1.007 1.00 0.00 N ATOM 425 CA GLU A 27 -14.039 -3.476 1.946 1.00 0.00 C ATOM 426 C GLU A 27 -13.216 -2.284 1.454 1.00 0.00 C ATOM 427 O GLU A 27 -13.355 -1.178 1.939 1.00 0.00 O ATOM 428 CB GLU A 27 -13.562 -3.889 3.340 1.00 0.00 C ATOM 429 CG GLU A 27 -14.423 -5.045 3.854 1.00 0.00 C ATOM 430 CD GLU A 27 -15.844 -4.546 4.118 1.00 0.00 C ATOM 431 OE1 GLU A 27 -15.986 -3.590 4.863 1.00 0.00 O ATOM 432 OE2 GLU A 27 -16.766 -5.130 3.573 1.00 0.00 O ATOM 0 H GLU A 27 -13.283 -5.372 1.345 1.00 0.00 H new ATOM 0 HA GLU A 27 -15.091 -3.196 1.994 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.515 -4.190 3.303 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -13.626 -3.042 4.023 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -14.440 -5.853 3.122 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.994 -5.453 4.769 1.00 0.00 H new ATOM 439 N ILE A 28 -12.355 -2.502 0.497 1.00 0.00 N ATOM 440 CA ILE A 28 -11.519 -1.393 -0.028 1.00 0.00 C ATOM 441 C ILE A 28 -12.289 -0.630 -1.106 1.00 0.00 C ATOM 442 O ILE A 28 -12.734 0.481 -0.898 1.00 0.00 O ATOM 443 CB ILE A 28 -10.256 -1.984 -0.653 1.00 0.00 C ATOM 444 CG1 ILE A 28 -9.409 -2.698 0.415 1.00 0.00 C ATOM 445 CG2 ILE A 28 -9.444 -0.873 -1.303 1.00 0.00 C ATOM 446 CD1 ILE A 28 -9.023 -1.740 1.552 1.00 0.00 C ATOM 0 H ILE A 28 -12.196 -3.408 0.056 1.00 0.00 H new ATOM 0 HA ILE A 28 -11.262 -0.714 0.785 1.00 0.00 H new ATOM 0 HB ILE A 28 -10.544 -2.714 -1.409 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -9.967 -3.542 0.821 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -8.507 -3.104 -0.044 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -8.543 -1.294 -1.749 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -10.041 -0.391 -2.077 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -9.166 -0.137 -0.549 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -8.425 -2.274 2.291 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -8.444 -0.910 1.148 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -9.926 -1.355 2.026 1.00 0.00 H new ATOM 458 N LEU A 29 -12.438 -1.219 -2.264 1.00 0.00 N ATOM 459 CA LEU A 29 -13.166 -0.528 -3.365 1.00 0.00 C ATOM 460 C LEU A 29 -14.467 0.058 -2.819 1.00 0.00 C ATOM 461 O LEU A 29 -14.966 1.054 -3.306 1.00 0.00 O ATOM 462 CB LEU A 29 -13.468 -1.526 -4.486 1.00 0.00 C ATOM 463 CG LEU A 29 -12.177 -2.251 -4.889 1.00 0.00 C ATOM 464 CD1 LEU A 29 -12.474 -3.215 -6.039 1.00 0.00 C ATOM 465 CD2 LEU A 29 -11.117 -1.228 -5.331 1.00 0.00 C ATOM 0 H LEU A 29 -12.086 -2.149 -2.493 1.00 0.00 H new ATOM 0 HA LEU A 29 -12.550 0.277 -3.765 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -14.214 -2.248 -4.153 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -13.889 -1.006 -5.346 1.00 0.00 H new ATOM 0 HG LEU A 29 -11.796 -2.810 -4.034 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -11.558 -3.731 -6.327 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -13.217 -3.946 -5.719 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -12.859 -2.656 -6.892 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -10.204 -1.750 -5.615 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -11.491 -0.661 -6.183 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -10.904 -0.546 -4.508 1.00 0.00 H new ATOM 477 N ASP A 30 -15.003 -0.528 -1.786 1.00 0.00 N ATOM 478 CA ASP A 30 -16.244 0.028 -1.194 1.00 0.00 C ATOM 479 C ASP A 30 -15.854 1.302 -0.458 1.00 0.00 C ATOM 480 O ASP A 30 -16.500 2.337 -0.556 1.00 0.00 O ATOM 481 CB ASP A 30 -16.849 -0.977 -0.211 1.00 0.00 C ATOM 482 CG ASP A 30 -17.355 -2.201 -0.977 1.00 0.00 C ATOM 483 OD1 ASP A 30 -16.729 -2.561 -1.960 1.00 0.00 O ATOM 484 OD2 ASP A 30 -18.362 -2.756 -0.568 1.00 0.00 O ATOM 0 H ASP A 30 -14.636 -1.363 -1.330 1.00 0.00 H new ATOM 0 HA ASP A 30 -16.985 0.235 -1.966 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -16.102 -1.278 0.523 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -17.669 -0.515 0.339 1.00 0.00 H new ATOM 489 N ALA A 31 -14.766 1.251 0.261 1.00 0.00 N ATOM 490 CA ALA A 31 -14.317 2.463 0.976 1.00 0.00 C ATOM 491 C ALA A 31 -14.300 3.623 0.001 1.00 0.00 C ATOM 492 O ALA A 31 -14.940 4.620 0.214 1.00 0.00 O ATOM 493 CB ALA A 31 -12.929 2.268 1.550 1.00 0.00 C ATOM 0 H ALA A 31 -14.177 0.426 0.380 1.00 0.00 H new ATOM 0 HA ALA A 31 -15.003 2.665 1.799 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.620 3.174 2.072 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -12.939 1.432 2.249 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -12.228 2.058 0.743 1.00 0.00 H new ATOM 499 N PHE A 32 -13.582 3.508 -1.083 1.00 0.00 N ATOM 500 CA PHE A 32 -13.558 4.631 -2.058 1.00 0.00 C ATOM 501 C PHE A 32 -14.994 5.086 -2.325 1.00 0.00 C ATOM 502 O PHE A 32 -15.266 6.261 -2.451 1.00 0.00 O ATOM 503 CB PHE A 32 -12.892 4.183 -3.368 1.00 0.00 C ATOM 504 CG PHE A 32 -11.397 4.042 -3.167 1.00 0.00 C ATOM 505 CD1 PHE A 32 -10.881 2.916 -2.512 1.00 0.00 C ATOM 506 CD2 PHE A 32 -10.527 5.035 -3.636 1.00 0.00 C ATOM 507 CE1 PHE A 32 -9.499 2.786 -2.329 1.00 0.00 C ATOM 508 CE2 PHE A 32 -9.146 4.902 -3.450 1.00 0.00 C ATOM 509 CZ PHE A 32 -8.633 3.779 -2.797 1.00 0.00 C ATOM 0 H PHE A 32 -13.018 2.695 -1.332 1.00 0.00 H new ATOM 0 HA PHE A 32 -12.981 5.460 -1.647 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -13.315 3.233 -3.694 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -13.095 4.909 -4.155 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -11.549 2.149 -2.149 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -10.922 5.904 -4.141 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -9.101 1.917 -1.826 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -8.477 5.668 -3.812 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.567 3.678 -2.654 1.00 0.00 H new ATOM 519 N ASP A 33 -15.932 4.177 -2.368 1.00 0.00 N ATOM 520 CA ASP A 33 -17.337 4.608 -2.589 1.00 0.00 C ATOM 521 C ASP A 33 -17.681 5.656 -1.530 1.00 0.00 C ATOM 522 O ASP A 33 -18.630 6.398 -1.664 1.00 0.00 O ATOM 523 CB ASP A 33 -18.284 3.405 -2.475 1.00 0.00 C ATOM 524 CG ASP A 33 -19.602 3.714 -3.190 1.00 0.00 C ATOM 525 OD1 ASP A 33 -20.490 4.250 -2.547 1.00 0.00 O ATOM 526 OD2 ASP A 33 -19.699 3.412 -4.368 1.00 0.00 O ATOM 0 H ASP A 33 -15.788 3.173 -2.261 1.00 0.00 H new ATOM 0 HA ASP A 33 -17.450 5.031 -3.587 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -17.820 2.522 -2.914 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -18.473 3.177 -1.426 1.00 0.00 H new ATOM 531 N LYS A 34 -16.904 5.709 -0.473 1.00 0.00 N ATOM 532 CA LYS A 34 -17.157 6.713 0.619 1.00 0.00 C ATOM 533 C LYS A 34 -16.182 7.903 0.503 1.00 0.00 C ATOM 534 O LYS A 34 -16.579 9.004 0.180 1.00 0.00 O ATOM 535 CB LYS A 34 -16.956 6.054 2.001 1.00 0.00 C ATOM 536 CG LYS A 34 -18.140 5.103 2.351 1.00 0.00 C ATOM 537 CD LYS A 34 -17.679 3.640 2.354 1.00 0.00 C ATOM 538 CE LYS A 34 -16.929 3.354 3.660 1.00 0.00 C ATOM 539 NZ LYS A 34 -17.912 3.213 4.772 1.00 0.00 N ATOM 0 H LYS A 34 -16.102 5.099 -0.316 1.00 0.00 H new ATOM 0 HA LYS A 34 -18.182 7.069 0.515 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -16.022 5.493 2.006 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -16.868 6.826 2.765 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -18.545 5.364 3.329 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -18.944 5.234 1.627 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -18.537 2.975 2.260 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -17.031 3.448 1.498 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -16.340 2.442 3.562 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -16.231 4.163 3.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -17.466 2.714 5.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -18.221 4.156 5.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -18.735 2.670 4.441 1.00 0.00 H new ATOM 553 N MET A 35 -14.919 7.707 0.792 1.00 0.00 N ATOM 554 CA MET A 35 -13.961 8.856 0.720 1.00 0.00 C ATOM 555 C MET A 35 -13.938 9.429 -0.696 1.00 0.00 C ATOM 556 O MET A 35 -13.987 10.627 -0.891 1.00 0.00 O ATOM 557 CB MET A 35 -12.541 8.415 1.113 1.00 0.00 C ATOM 558 CG MET A 35 -12.601 7.311 2.171 1.00 0.00 C ATOM 559 SD MET A 35 -12.833 5.710 1.378 1.00 0.00 S ATOM 560 CE MET A 35 -11.225 5.584 0.567 1.00 0.00 C ATOM 0 H MET A 35 -14.513 6.814 1.071 1.00 0.00 H new ATOM 0 HA MET A 35 -14.297 9.620 1.421 1.00 0.00 H new ATOM 0 HB2 MET A 35 -12.008 8.056 0.233 1.00 0.00 H new ATOM 0 HB3 MET A 35 -11.982 9.267 1.499 1.00 0.00 H new ATOM 0 HG2 MET A 35 -11.681 7.306 2.756 1.00 0.00 H new ATOM 0 HG3 MET A 35 -13.419 7.505 2.865 1.00 0.00 H new ATOM 0 HE1 MET A 35 -10.998 4.536 0.370 1.00 0.00 H new ATOM 0 HE2 MET A 35 -11.248 6.134 -0.374 1.00 0.00 H new ATOM 0 HE3 MET A 35 -10.457 6.006 1.215 1.00 0.00 H new ATOM 570 N CYS A 36 -13.858 8.586 -1.683 1.00 0.00 N ATOM 571 CA CYS A 36 -13.827 9.091 -3.077 1.00 0.00 C ATOM 572 C CYS A 36 -15.231 9.559 -3.465 1.00 0.00 C ATOM 573 O CYS A 36 -15.539 9.757 -4.624 1.00 0.00 O ATOM 574 CB CYS A 36 -13.349 7.969 -4.002 1.00 0.00 C ATOM 575 SG CYS A 36 -12.820 8.670 -5.584 1.00 0.00 S ATOM 0 H CYS A 36 -13.813 7.572 -1.584 1.00 0.00 H new ATOM 0 HA CYS A 36 -13.140 9.933 -3.167 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -12.524 7.428 -3.538 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -14.152 7.249 -4.162 1.00 0.00 H new ATOM 580 N SER A 37 -16.082 9.752 -2.486 1.00 0.00 N ATOM 581 CA SER A 37 -17.470 10.225 -2.761 1.00 0.00 C ATOM 582 C SER A 37 -17.503 11.750 -2.667 1.00 0.00 C ATOM 583 O SER A 37 -17.977 12.434 -3.553 1.00 0.00 O ATOM 584 CB SER A 37 -18.423 9.650 -1.716 1.00 0.00 C ATOM 585 OG SER A 37 -18.350 10.434 -0.533 1.00 0.00 O ATOM 0 H SER A 37 -15.869 9.600 -1.500 1.00 0.00 H new ATOM 0 HA SER A 37 -17.774 9.900 -3.756 1.00 0.00 H new ATOM 0 HB2 SER A 37 -19.443 9.645 -2.101 1.00 0.00 H new ATOM 0 HB3 SER A 37 -18.160 8.615 -1.497 1.00 0.00 H new ATOM 0 HG SER A 37 -17.510 10.244 -0.066 1.00 0.00 H new ATOM 591 N LYS A 38 -17.003 12.280 -1.585 1.00 0.00 N ATOM 592 CA LYS A 38 -16.996 13.758 -1.395 1.00 0.00 C ATOM 593 C LYS A 38 -15.972 14.400 -2.333 1.00 0.00 C ATOM 594 O LYS A 38 -16.045 15.577 -2.630 1.00 0.00 O ATOM 595 CB LYS A 38 -16.622 14.075 0.055 1.00 0.00 C ATOM 596 CG LYS A 38 -15.273 13.430 0.391 1.00 0.00 C ATOM 597 CD LYS A 38 -15.030 13.507 1.900 1.00 0.00 C ATOM 598 CE LYS A 38 -13.560 13.211 2.199 1.00 0.00 C ATOM 599 NZ LYS A 38 -12.712 14.316 1.669 1.00 0.00 N ATOM 0 H LYS A 38 -16.595 11.747 -0.817 1.00 0.00 H new ATOM 0 HA LYS A 38 -17.986 14.156 -1.620 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -16.567 15.154 0.199 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -17.393 13.702 0.730 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -15.264 12.390 0.063 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -14.471 13.940 -0.143 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -15.295 14.497 2.271 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -15.668 12.791 2.418 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.410 13.107 3.274 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.269 12.264 1.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -11.836 14.379 2.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -12.477 14.127 0.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.230 15.215 1.738 1.00 0.00 H new ATOM 613 N LEU A 39 -15.009 13.645 -2.789 1.00 0.00 N ATOM 614 CA LEU A 39 -13.968 14.220 -3.698 1.00 0.00 C ATOM 615 C LEU A 39 -14.661 15.081 -4.784 1.00 0.00 C ATOM 616 O LEU A 39 -15.747 14.740 -5.207 1.00 0.00 O ATOM 617 CB LEU A 39 -13.183 13.055 -4.384 1.00 0.00 C ATOM 618 CG LEU A 39 -11.642 13.152 -4.132 1.00 0.00 C ATOM 619 CD1 LEU A 39 -11.186 12.015 -3.208 1.00 0.00 C ATOM 620 CD2 LEU A 39 -10.885 13.048 -5.464 1.00 0.00 C ATOM 0 H LEU A 39 -14.896 12.655 -2.573 1.00 0.00 H new ATOM 0 HA LEU A 39 -13.278 14.838 -3.124 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -13.551 12.100 -4.009 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -13.376 13.071 -5.457 1.00 0.00 H new ATOM 0 HG LEU A 39 -11.427 14.112 -3.662 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.112 12.092 -3.039 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.709 12.089 -2.255 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -11.412 11.055 -3.673 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.813 13.116 -5.280 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -11.111 12.093 -5.938 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.193 13.861 -6.122 1.00 0.00 H new ATOM 632 N PRO A 40 -14.022 16.148 -5.244 1.00 0.00 N ATOM 633 CA PRO A 40 -14.620 16.969 -6.304 1.00 0.00 C ATOM 634 C PRO A 40 -14.876 16.074 -7.520 1.00 0.00 C ATOM 635 O PRO A 40 -14.036 15.282 -7.897 1.00 0.00 O ATOM 636 CB PRO A 40 -13.570 18.059 -6.616 1.00 0.00 C ATOM 637 CG PRO A 40 -12.384 17.862 -5.632 1.00 0.00 C ATOM 638 CD PRO A 40 -12.699 16.621 -4.770 1.00 0.00 C ATOM 0 HA PRO A 40 -15.570 17.422 -6.021 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -13.229 17.978 -7.648 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -14.003 19.053 -6.500 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -11.451 17.723 -6.179 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -12.257 18.743 -5.003 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -11.937 15.851 -4.894 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -12.727 16.874 -3.710 1.00 0.00 H new ATOM 646 N LYS A 41 -16.026 16.191 -8.121 1.00 0.00 N ATOM 647 CA LYS A 41 -16.363 15.353 -9.306 1.00 0.00 C ATOM 648 C LYS A 41 -15.146 15.156 -10.211 1.00 0.00 C ATOM 649 O LYS A 41 -14.802 14.052 -10.587 1.00 0.00 O ATOM 650 CB LYS A 41 -17.453 16.067 -10.089 1.00 0.00 C ATOM 651 CG LYS A 41 -18.098 15.100 -11.079 1.00 0.00 C ATOM 652 CD LYS A 41 -19.088 15.869 -11.974 1.00 0.00 C ATOM 653 CE LYS A 41 -18.375 16.389 -13.227 1.00 0.00 C ATOM 654 NZ LYS A 41 -18.243 15.282 -14.217 1.00 0.00 N ATOM 0 H LYS A 41 -16.758 16.842 -7.837 1.00 0.00 H new ATOM 0 HA LYS A 41 -16.694 14.371 -8.967 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -18.207 16.459 -9.406 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -17.032 16.920 -10.622 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -17.332 14.624 -11.691 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -18.617 14.306 -10.543 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -19.913 15.217 -12.260 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -19.519 16.703 -11.419 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -18.937 17.216 -13.662 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -17.390 16.776 -12.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -17.491 15.512 -14.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -18.003 14.400 -13.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -19.143 15.161 -14.724 1.00 0.00 H new ATOM 668 N SER A 42 -14.512 16.224 -10.571 1.00 0.00 N ATOM 669 CA SER A 42 -13.326 16.134 -11.468 1.00 0.00 C ATOM 670 C SER A 42 -12.346 15.075 -10.965 1.00 0.00 C ATOM 671 O SER A 42 -12.066 14.103 -11.642 1.00 0.00 O ATOM 672 CB SER A 42 -12.616 17.485 -11.488 1.00 0.00 C ATOM 673 OG SER A 42 -13.535 18.495 -11.881 1.00 0.00 O ATOM 0 H SER A 42 -14.762 17.170 -10.282 1.00 0.00 H new ATOM 0 HA SER A 42 -13.664 15.859 -12.467 1.00 0.00 H new ATOM 0 HB2 SER A 42 -12.211 17.710 -10.501 1.00 0.00 H new ATOM 0 HB3 SER A 42 -11.774 17.455 -12.179 1.00 0.00 H new ATOM 0 HG SER A 42 -13.081 19.364 -11.893 1.00 0.00 H new ATOM 679 N LEU A 43 -11.802 15.256 -9.792 1.00 0.00 N ATOM 680 CA LEU A 43 -10.823 14.259 -9.278 1.00 0.00 C ATOM 681 C LEU A 43 -11.558 13.056 -8.692 1.00 0.00 C ATOM 682 O LEU A 43 -10.935 12.100 -8.294 1.00 0.00 O ATOM 683 CB LEU A 43 -9.933 14.892 -8.195 1.00 0.00 C ATOM 684 CG LEU A 43 -8.767 15.648 -8.835 1.00 0.00 C ATOM 685 CD1 LEU A 43 -9.289 16.908 -9.518 1.00 0.00 C ATOM 686 CD2 LEU A 43 -7.764 16.021 -7.743 1.00 0.00 C ATOM 0 H LEU A 43 -11.992 16.044 -9.173 1.00 0.00 H new ATOM 0 HA LEU A 43 -10.197 13.931 -10.108 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.524 15.573 -7.583 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.551 14.117 -7.531 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.279 15.021 -9.581 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.458 17.446 -9.974 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.009 16.632 -10.289 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -9.774 17.547 -8.780 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.927 16.561 -8.186 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -8.252 16.654 -7.002 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.397 15.115 -7.261 1.00 0.00 H new ATOM 698 N SER A 44 -12.866 13.064 -8.662 1.00 0.00 N ATOM 699 CA SER A 44 -13.588 11.880 -8.130 1.00 0.00 C ATOM 700 C SER A 44 -13.666 10.897 -9.275 1.00 0.00 C ATOM 701 O SER A 44 -13.694 9.693 -9.101 1.00 0.00 O ATOM 702 CB SER A 44 -15.000 12.265 -7.679 1.00 0.00 C ATOM 703 OG SER A 44 -15.877 12.223 -8.796 1.00 0.00 O ATOM 0 H SER A 44 -13.456 13.833 -8.980 1.00 0.00 H new ATOM 0 HA SER A 44 -13.074 11.461 -7.265 1.00 0.00 H new ATOM 0 HB2 SER A 44 -15.346 11.581 -6.904 1.00 0.00 H new ATOM 0 HB3 SER A 44 -14.995 13.264 -7.243 1.00 0.00 H new ATOM 0 HG SER A 44 -15.513 12.776 -9.518 1.00 0.00 H new ATOM 709 N GLU A 45 -13.665 11.427 -10.467 1.00 0.00 N ATOM 710 CA GLU A 45 -13.708 10.567 -11.661 1.00 0.00 C ATOM 711 C GLU A 45 -12.304 10.020 -11.894 1.00 0.00 C ATOM 712 O GLU A 45 -12.122 8.924 -12.385 1.00 0.00 O ATOM 713 CB GLU A 45 -14.156 11.389 -12.873 1.00 0.00 C ATOM 714 CG GLU A 45 -15.640 11.733 -12.737 1.00 0.00 C ATOM 715 CD GLU A 45 -16.478 10.467 -12.923 1.00 0.00 C ATOM 716 OE1 GLU A 45 -16.473 9.932 -14.021 1.00 0.00 O ATOM 717 OE2 GLU A 45 -17.111 10.053 -11.967 1.00 0.00 O ATOM 0 H GLU A 45 -13.636 12.429 -10.657 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.414 9.749 -11.518 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -13.565 12.302 -12.945 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -13.985 10.826 -13.791 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.834 12.170 -11.757 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.920 12.480 -13.480 1.00 0.00 H new ATOM 724 N GLU A 46 -11.306 10.785 -11.532 1.00 0.00 N ATOM 725 CA GLU A 46 -9.900 10.327 -11.718 1.00 0.00 C ATOM 726 C GLU A 46 -9.463 9.483 -10.515 1.00 0.00 C ATOM 727 O GLU A 46 -8.570 8.665 -10.613 1.00 0.00 O ATOM 728 CB GLU A 46 -8.980 11.543 -11.845 1.00 0.00 C ATOM 729 CG GLU A 46 -9.469 12.437 -12.986 1.00 0.00 C ATOM 730 CD GLU A 46 -8.532 13.637 -13.132 1.00 0.00 C ATOM 731 OE1 GLU A 46 -7.346 13.470 -12.896 1.00 0.00 O ATOM 732 OE2 GLU A 46 -9.015 14.702 -13.479 1.00 0.00 O ATOM 0 H GLU A 46 -11.407 11.710 -11.114 1.00 0.00 H new ATOM 0 HA GLU A 46 -9.837 9.723 -12.623 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.969 12.103 -10.910 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.957 11.220 -12.035 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.501 11.871 -13.917 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.485 12.778 -12.785 1.00 0.00 H new ATOM 739 N CYS A 47 -10.085 9.671 -9.380 1.00 0.00 N ATOM 740 CA CYS A 47 -9.697 8.873 -8.178 1.00 0.00 C ATOM 741 C CYS A 47 -10.248 7.453 -8.337 1.00 0.00 C ATOM 742 O CYS A 47 -9.703 6.504 -7.817 1.00 0.00 O ATOM 743 CB CYS A 47 -10.278 9.547 -6.914 1.00 0.00 C ATOM 744 SG CYS A 47 -10.829 8.331 -5.682 1.00 0.00 S ATOM 0 H CYS A 47 -10.841 10.339 -9.233 1.00 0.00 H new ATOM 0 HA CYS A 47 -8.612 8.826 -8.079 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -9.523 10.195 -6.470 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -11.118 10.182 -7.196 1.00 0.00 H new ATOM 749 N GLN A 48 -11.320 7.299 -9.065 1.00 0.00 N ATOM 750 CA GLN A 48 -11.895 5.946 -9.273 1.00 0.00 C ATOM 751 C GLN A 48 -11.244 5.372 -10.520 1.00 0.00 C ATOM 752 O GLN A 48 -11.190 4.173 -10.720 1.00 0.00 O ATOM 753 CB GLN A 48 -13.414 6.063 -9.471 1.00 0.00 C ATOM 754 CG GLN A 48 -14.113 6.100 -8.105 1.00 0.00 C ATOM 755 CD GLN A 48 -14.190 4.684 -7.528 1.00 0.00 C ATOM 756 OE1 GLN A 48 -14.243 3.719 -8.263 1.00 0.00 O ATOM 757 NE2 GLN A 48 -14.198 4.519 -6.234 1.00 0.00 N ATOM 0 H GLN A 48 -11.823 8.058 -9.526 1.00 0.00 H new ATOM 0 HA GLN A 48 -11.712 5.300 -8.415 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -13.648 6.966 -10.035 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -13.780 5.219 -10.055 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -13.567 6.752 -7.423 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -15.115 6.516 -8.209 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -14.153 5.329 -5.616 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -14.249 3.580 -5.840 1.00 0.00 H new ATOM 766 N GLU A 49 -10.731 6.230 -11.355 1.00 0.00 N ATOM 767 CA GLU A 49 -10.065 5.757 -12.580 1.00 0.00 C ATOM 768 C GLU A 49 -8.720 5.145 -12.195 1.00 0.00 C ATOM 769 O GLU A 49 -8.349 4.084 -12.661 1.00 0.00 O ATOM 770 CB GLU A 49 -9.845 6.935 -13.526 1.00 0.00 C ATOM 771 CG GLU A 49 -9.384 6.416 -14.884 1.00 0.00 C ATOM 772 CD GLU A 49 -10.558 5.756 -15.609 1.00 0.00 C ATOM 773 OE1 GLU A 49 -11.630 6.340 -15.614 1.00 0.00 O ATOM 774 OE2 GLU A 49 -10.367 4.678 -16.147 1.00 0.00 O ATOM 0 H GLU A 49 -10.749 7.243 -11.234 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.682 5.011 -13.081 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.768 7.504 -13.636 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.100 7.614 -13.112 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.989 7.237 -15.483 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.574 5.698 -14.754 1.00 0.00 H new ATOM 781 N VAL A 50 -7.983 5.802 -11.338 1.00 0.00 N ATOM 782 CA VAL A 50 -6.669 5.244 -10.930 1.00 0.00 C ATOM 783 C VAL A 50 -6.898 3.973 -10.115 1.00 0.00 C ATOM 784 O VAL A 50 -6.218 2.995 -10.295 1.00 0.00 O ATOM 785 CB VAL A 50 -5.885 6.256 -10.091 1.00 0.00 C ATOM 786 CG1 VAL A 50 -6.542 6.413 -8.717 1.00 0.00 C ATOM 787 CG2 VAL A 50 -4.444 5.748 -9.917 1.00 0.00 C ATOM 0 H VAL A 50 -8.235 6.692 -10.909 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.089 5.017 -11.825 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.880 7.223 -10.594 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.979 7.135 -8.125 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.566 6.766 -8.841 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.549 5.451 -8.205 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.876 6.462 -9.320 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.457 4.782 -9.412 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.976 5.639 -10.895 1.00 0.00 H new ATOM 797 N VAL A 51 -7.859 3.979 -9.223 1.00 0.00 N ATOM 798 CA VAL A 51 -8.142 2.753 -8.407 1.00 0.00 C ATOM 799 C VAL A 51 -8.170 1.551 -9.350 1.00 0.00 C ATOM 800 O VAL A 51 -7.502 0.561 -9.127 1.00 0.00 O ATOM 801 CB VAL A 51 -9.503 2.933 -7.713 1.00 0.00 C ATOM 802 CG1 VAL A 51 -10.001 1.595 -7.153 1.00 0.00 C ATOM 803 CG2 VAL A 51 -9.369 3.956 -6.566 1.00 0.00 C ATOM 0 H VAL A 51 -8.460 4.779 -9.024 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.377 2.595 -7.647 1.00 0.00 H new ATOM 0 HB VAL A 51 -10.224 3.297 -8.445 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -10.965 1.741 -6.665 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -10.111 0.878 -7.967 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -9.282 1.214 -6.428 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -10.334 4.082 -6.076 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.638 3.597 -5.841 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -9.039 4.914 -6.969 1.00 0.00 H new ATOM 813 N ASP A 52 -8.902 1.645 -10.427 1.00 0.00 N ATOM 814 CA ASP A 52 -8.918 0.520 -11.397 1.00 0.00 C ATOM 815 C ASP A 52 -7.467 0.237 -11.789 1.00 0.00 C ATOM 816 O ASP A 52 -7.073 -0.893 -12.000 1.00 0.00 O ATOM 817 CB ASP A 52 -9.725 0.915 -12.636 1.00 0.00 C ATOM 818 CG ASP A 52 -9.846 -0.289 -13.573 1.00 0.00 C ATOM 819 OD1 ASP A 52 -8.975 -0.450 -14.413 1.00 0.00 O ATOM 820 OD2 ASP A 52 -10.806 -1.028 -13.436 1.00 0.00 O ATOM 0 H ASP A 52 -9.484 2.446 -10.673 1.00 0.00 H new ATOM 0 HA ASP A 52 -9.378 -0.365 -10.957 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -10.716 1.261 -12.342 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.238 1.743 -13.151 1.00 0.00 H new ATOM 825 N THR A 53 -6.663 1.271 -11.858 1.00 0.00 N ATOM 826 CA THR A 53 -5.223 1.089 -12.201 1.00 0.00 C ATOM 827 C THR A 53 -4.443 0.734 -10.930 1.00 0.00 C ATOM 828 O THR A 53 -3.392 0.126 -10.984 1.00 0.00 O ATOM 829 CB THR A 53 -4.680 2.354 -12.875 1.00 0.00 C ATOM 830 OG1 THR A 53 -5.416 2.593 -14.065 1.00 0.00 O ATOM 831 CG2 THR A 53 -3.200 2.166 -13.229 1.00 0.00 C ATOM 0 H THR A 53 -6.947 2.236 -11.690 1.00 0.00 H new ATOM 0 HA THR A 53 -5.106 0.270 -12.910 1.00 0.00 H new ATOM 0 HB THR A 53 -4.780 3.198 -12.193 1.00 0.00 H new ATOM 0 HG1 THR A 53 -5.077 3.402 -14.503 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.823 3.070 -13.707 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.630 1.972 -12.320 1.00 0.00 H new ATOM 0 HG23 THR A 53 -3.093 1.323 -13.911 1.00 0.00 H new ATOM 839 N TYR A 54 -4.965 1.092 -9.784 1.00 0.00 N ATOM 840 CA TYR A 54 -4.289 0.772 -8.489 1.00 0.00 C ATOM 841 C TYR A 54 -5.314 0.153 -7.549 1.00 0.00 C ATOM 842 O TYR A 54 -5.853 0.812 -6.682 1.00 0.00 O ATOM 843 CB TYR A 54 -3.746 2.038 -7.844 1.00 0.00 C ATOM 844 CG TYR A 54 -2.576 2.541 -8.644 1.00 0.00 C ATOM 845 CD1 TYR A 54 -2.805 3.089 -9.895 1.00 0.00 C ATOM 846 CD2 TYR A 54 -1.280 2.478 -8.129 1.00 0.00 C ATOM 847 CE1 TYR A 54 -1.746 3.586 -10.654 1.00 0.00 C ATOM 848 CE2 TYR A 54 -0.209 2.977 -8.879 1.00 0.00 C ATOM 849 CZ TYR A 54 -0.441 3.535 -10.145 1.00 0.00 C ATOM 850 OH TYR A 54 0.612 4.028 -10.889 1.00 0.00 O ATOM 0 H TYR A 54 -5.844 1.600 -9.689 1.00 0.00 H new ATOM 0 HA TYR A 54 -3.464 0.085 -8.678 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -4.525 2.800 -7.799 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -3.439 1.834 -6.818 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -3.811 3.132 -10.286 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -1.104 2.046 -7.155 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -1.931 4.009 -11.631 1.00 0.00 H new ATOM 0 HE2 TYR A 54 0.795 2.933 -8.484 1.00 0.00 H new ATOM 0 HH TYR A 54 1.447 3.916 -10.388 1.00 0.00 H new ATOM 860 N GLY A 55 -5.593 -1.105 -7.713 1.00 0.00 N ATOM 861 CA GLY A 55 -6.584 -1.778 -6.828 1.00 0.00 C ATOM 862 C GLY A 55 -6.192 -3.242 -6.632 1.00 0.00 C ATOM 863 O GLY A 55 -5.430 -3.581 -5.759 1.00 0.00 O ATOM 0 H GLY A 55 -5.176 -1.703 -8.426 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.627 -1.271 -5.864 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.580 -1.714 -7.267 1.00 0.00 H new ATOM 867 N SER A 56 -6.709 -4.128 -7.418 1.00 0.00 N ATOM 868 CA SER A 56 -6.352 -5.557 -7.218 1.00 0.00 C ATOM 869 C SER A 56 -4.830 -5.714 -7.074 1.00 0.00 C ATOM 870 O SER A 56 -4.354 -6.702 -6.551 1.00 0.00 O ATOM 871 CB SER A 56 -6.851 -6.385 -8.402 1.00 0.00 C ATOM 872 OG SER A 56 -6.288 -7.688 -8.336 1.00 0.00 O ATOM 0 H SER A 56 -7.356 -3.935 -8.183 1.00 0.00 H new ATOM 0 HA SER A 56 -6.827 -5.913 -6.304 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.939 -6.446 -8.385 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.573 -5.904 -9.340 1.00 0.00 H new ATOM 0 HG SER A 56 -6.608 -8.221 -9.093 1.00 0.00 H new ATOM 878 N SER A 57 -4.055 -4.741 -7.501 1.00 0.00 N ATOM 879 CA SER A 57 -2.569 -4.855 -7.350 1.00 0.00 C ATOM 880 C SER A 57 -2.162 -4.181 -6.047 1.00 0.00 C ATOM 881 O SER A 57 -2.012 -4.837 -5.045 1.00 0.00 O ATOM 882 CB SER A 57 -1.848 -4.171 -8.515 1.00 0.00 C ATOM 883 OG SER A 57 -2.008 -4.953 -9.691 1.00 0.00 O ATOM 0 H SER A 57 -4.384 -3.883 -7.943 1.00 0.00 H new ATOM 0 HA SER A 57 -2.292 -5.909 -7.344 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.253 -3.171 -8.672 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.789 -4.054 -8.284 1.00 0.00 H new ATOM 0 HG SER A 57 -1.549 -4.517 -10.439 1.00 0.00 H new ATOM 889 N ILE A 58 -2.010 -2.871 -6.060 1.00 0.00 N ATOM 890 CA ILE A 58 -1.623 -2.100 -4.826 1.00 0.00 C ATOM 891 C ILE A 58 -2.066 -2.843 -3.571 1.00 0.00 C ATOM 892 O ILE A 58 -1.325 -2.986 -2.620 1.00 0.00 O ATOM 893 CB ILE A 58 -2.317 -0.737 -4.878 1.00 0.00 C ATOM 894 CG1 ILE A 58 -1.871 0.143 -3.699 1.00 0.00 C ATOM 895 CG2 ILE A 58 -3.827 -0.928 -4.814 1.00 0.00 C ATOM 896 CD1 ILE A 58 -2.827 1.338 -3.555 1.00 0.00 C ATOM 0 H ILE A 58 -2.141 -2.294 -6.891 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.540 -1.982 -4.793 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.043 -0.246 -5.812 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.863 -0.441 -2.779 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.853 0.497 -3.861 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.319 0.044 -4.851 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.153 -1.532 -5.660 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.091 -1.433 -3.885 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.508 1.960 -2.719 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.813 1.928 -4.472 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.838 0.975 -3.373 1.00 0.00 H new ATOM 908 N LEU A 59 -3.272 -3.318 -3.567 1.00 0.00 N ATOM 909 CA LEU A 59 -3.759 -4.058 -2.368 1.00 0.00 C ATOM 910 C LEU A 59 -3.117 -5.453 -2.328 1.00 0.00 C ATOM 911 O LEU A 59 -2.551 -5.852 -1.334 1.00 0.00 O ATOM 912 CB LEU A 59 -5.292 -4.231 -2.385 1.00 0.00 C ATOM 913 CG LEU A 59 -5.989 -2.966 -2.880 1.00 0.00 C ATOM 914 CD1 LEU A 59 -7.461 -3.275 -3.154 1.00 0.00 C ATOM 915 CD2 LEU A 59 -5.870 -1.846 -1.834 1.00 0.00 C ATOM 0 H LEU A 59 -3.941 -3.230 -4.332 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.482 -3.475 -1.490 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.558 -5.070 -3.028 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.644 -4.474 -1.382 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.511 -2.629 -3.800 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.962 -2.374 -3.508 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.534 -4.053 -3.914 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -7.938 -3.619 -2.236 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.372 -0.951 -2.201 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.336 -2.167 -0.903 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.818 -1.625 -1.656 1.00 0.00 H new ATOM 927 N SER A 60 -3.229 -6.209 -3.395 1.00 0.00 N ATOM 928 CA SER A 60 -2.657 -7.591 -3.401 1.00 0.00 C ATOM 929 C SER A 60 -1.148 -7.560 -3.670 1.00 0.00 C ATOM 930 O SER A 60 -0.504 -8.587 -3.750 1.00 0.00 O ATOM 931 CB SER A 60 -3.349 -8.420 -4.486 1.00 0.00 C ATOM 932 OG SER A 60 -3.186 -9.802 -4.196 1.00 0.00 O ATOM 0 H SER A 60 -3.691 -5.928 -4.260 1.00 0.00 H new ATOM 0 HA SER A 60 -2.824 -8.039 -2.421 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.409 -8.169 -4.532 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.924 -8.189 -5.463 1.00 0.00 H new ATOM 0 HG SER A 60 -2.261 -9.972 -3.921 1.00 0.00 H new ATOM 938 N ILE A 61 -0.583 -6.401 -3.834 1.00 0.00 N ATOM 939 CA ILE A 61 0.872 -6.319 -4.125 1.00 0.00 C ATOM 940 C ILE A 61 1.677 -6.674 -2.858 1.00 0.00 C ATOM 941 O ILE A 61 2.333 -7.692 -2.820 1.00 0.00 O ATOM 942 CB ILE A 61 1.175 -4.894 -4.703 1.00 0.00 C ATOM 943 CG1 ILE A 61 2.217 -4.962 -5.821 1.00 0.00 C ATOM 944 CG2 ILE A 61 1.649 -3.899 -3.649 1.00 0.00 C ATOM 945 CD1 ILE A 61 3.586 -5.292 -5.247 1.00 0.00 C ATOM 0 H ILE A 61 -1.066 -5.504 -3.779 1.00 0.00 H new ATOM 0 HA ILE A 61 1.179 -7.044 -4.879 1.00 0.00 H new ATOM 0 HB ILE A 61 0.223 -4.535 -5.095 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.929 -5.719 -6.550 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.257 -4.009 -6.349 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.840 -2.934 -4.119 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.880 -3.784 -2.885 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.566 -4.266 -3.189 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.318 -5.337 -6.054 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.878 -4.520 -4.535 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.545 -6.256 -4.740 1.00 0.00 H new ATOM 957 N LEU A 62 1.630 -5.870 -1.835 1.00 0.00 N ATOM 958 CA LEU A 62 2.410 -6.167 -0.585 1.00 0.00 C ATOM 959 C LEU A 62 2.254 -7.627 -0.150 1.00 0.00 C ATOM 960 O LEU A 62 2.977 -8.104 0.701 1.00 0.00 O ATOM 961 CB LEU A 62 1.953 -5.227 0.525 1.00 0.00 C ATOM 962 CG LEU A 62 2.118 -3.781 0.043 1.00 0.00 C ATOM 963 CD1 LEU A 62 1.598 -2.821 1.116 1.00 0.00 C ATOM 964 CD2 LEU A 62 3.595 -3.476 -0.267 1.00 0.00 C ATOM 0 H LEU A 62 1.082 -5.010 -1.803 1.00 0.00 H new ATOM 0 HA LEU A 62 3.468 -6.007 -0.792 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.912 -5.423 0.782 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.541 -5.394 1.428 1.00 0.00 H new ATOM 0 HG LEU A 62 1.542 -3.648 -0.873 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.716 -1.793 0.773 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.543 -3.022 1.304 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.164 -2.963 2.037 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.690 -2.445 -0.607 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.192 -3.617 0.634 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.950 -4.150 -1.047 1.00 0.00 H new ATOM 976 N LEU A 63 1.312 -8.333 -0.697 1.00 0.00 N ATOM 977 CA LEU A 63 1.100 -9.744 -0.292 1.00 0.00 C ATOM 978 C LEU A 63 2.018 -10.721 -1.039 1.00 0.00 C ATOM 979 O LEU A 63 2.659 -11.550 -0.424 1.00 0.00 O ATOM 980 CB LEU A 63 -0.342 -10.098 -0.606 1.00 0.00 C ATOM 981 CG LEU A 63 -1.262 -9.336 0.350 1.00 0.00 C ATOM 982 CD1 LEU A 63 -1.221 -7.826 0.068 1.00 0.00 C ATOM 983 CD2 LEU A 63 -2.692 -9.871 0.210 1.00 0.00 C ATOM 0 H LEU A 63 0.673 -7.990 -1.414 1.00 0.00 H new ATOM 0 HA LEU A 63 1.330 -9.833 0.770 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.576 -9.841 -1.639 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.497 -11.172 -0.502 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.916 -9.490 1.372 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.884 -7.308 0.761 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.203 -7.459 0.197 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.548 -7.638 -0.955 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.351 -9.331 0.890 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.034 -9.731 -0.815 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.709 -10.933 0.456 1.00 0.00 H new ATOM 995 N GLU A 64 2.045 -10.683 -2.354 1.00 0.00 N ATOM 996 CA GLU A 64 2.881 -11.678 -3.118 1.00 0.00 C ATOM 997 C GLU A 64 3.773 -11.007 -4.160 1.00 0.00 C ATOM 998 O GLU A 64 4.973 -11.196 -4.167 1.00 0.00 O ATOM 999 CB GLU A 64 1.939 -12.627 -3.849 1.00 0.00 C ATOM 1000 CG GLU A 64 1.069 -13.373 -2.836 1.00 0.00 C ATOM 1001 CD GLU A 64 1.935 -14.359 -2.050 1.00 0.00 C ATOM 1002 OE1 GLU A 64 2.130 -15.462 -2.533 1.00 0.00 O ATOM 1003 OE2 GLU A 64 2.386 -13.996 -0.976 1.00 0.00 O ATOM 0 H GLU A 64 1.531 -10.015 -2.928 1.00 0.00 H new ATOM 0 HA GLU A 64 3.522 -12.197 -2.405 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.309 -12.068 -4.541 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.513 -13.338 -4.443 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.596 -12.665 -2.155 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.268 -13.905 -3.350 1.00 0.00 H new ATOM 1010 N GLU A 65 3.200 -10.267 -5.069 1.00 0.00 N ATOM 1011 CA GLU A 65 4.024 -9.629 -6.138 1.00 0.00 C ATOM 1012 C GLU A 65 5.268 -8.992 -5.537 1.00 0.00 C ATOM 1013 O GLU A 65 6.210 -8.658 -6.228 1.00 0.00 O ATOM 1014 CB GLU A 65 3.201 -8.566 -6.871 1.00 0.00 C ATOM 1015 CG GLU A 65 1.800 -9.105 -7.164 1.00 0.00 C ATOM 1016 CD GLU A 65 1.906 -10.447 -7.892 1.00 0.00 C ATOM 1017 OE1 GLU A 65 2.677 -10.528 -8.834 1.00 0.00 O ATOM 1018 OE2 GLU A 65 1.214 -11.371 -7.496 1.00 0.00 O ATOM 0 H GLU A 65 2.199 -10.076 -5.119 1.00 0.00 H new ATOM 0 HA GLU A 65 4.329 -10.398 -6.848 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.133 -7.663 -6.264 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.696 -8.288 -7.802 1.00 0.00 H new ATOM 0 HG2 GLU A 65 1.245 -9.228 -6.234 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.246 -8.392 -7.774 1.00 0.00 H new ATOM 1025 N VAL A 66 5.272 -8.816 -4.256 1.00 0.00 N ATOM 1026 CA VAL A 66 6.449 -8.192 -3.589 1.00 0.00 C ATOM 1027 C VAL A 66 6.583 -8.710 -2.146 1.00 0.00 C ATOM 1028 O VAL A 66 5.665 -8.618 -1.358 1.00 0.00 O ATOM 1029 CB VAL A 66 6.227 -6.675 -3.590 1.00 0.00 C ATOM 1030 CG1 VAL A 66 5.203 -6.293 -2.521 1.00 0.00 C ATOM 1031 CG2 VAL A 66 7.546 -5.941 -3.326 1.00 0.00 C ATOM 0 H VAL A 66 4.509 -9.077 -3.632 1.00 0.00 H new ATOM 0 HA VAL A 66 7.367 -8.445 -4.119 1.00 0.00 H new ATOM 0 HB VAL A 66 5.850 -6.382 -4.570 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.053 -5.213 -2.530 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.257 -6.793 -2.728 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.568 -6.600 -1.541 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.371 -4.865 -3.330 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.941 -6.241 -2.355 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.266 -6.194 -4.105 1.00 0.00 H new ATOM 1041 N SER A 67 7.728 -9.229 -1.785 1.00 0.00 N ATOM 1042 CA SER A 67 7.900 -9.710 -0.384 1.00 0.00 C ATOM 1043 C SER A 67 7.986 -8.459 0.509 1.00 0.00 C ATOM 1044 O SER A 67 8.370 -7.419 0.024 1.00 0.00 O ATOM 1045 CB SER A 67 9.187 -10.544 -0.276 1.00 0.00 C ATOM 1046 OG SER A 67 8.873 -11.913 -0.496 1.00 0.00 O ATOM 0 H SER A 67 8.541 -9.339 -2.391 1.00 0.00 H new ATOM 0 HA SER A 67 7.069 -10.344 -0.075 1.00 0.00 H new ATOM 0 HB2 SER A 67 9.919 -10.203 -1.009 1.00 0.00 H new ATOM 0 HB3 SER A 67 9.638 -10.415 0.708 1.00 0.00 H new ATOM 0 HG SER A 67 9.690 -12.451 -0.430 1.00 0.00 H new ATOM 1052 N PRO A 68 7.614 -8.569 1.769 1.00 0.00 N ATOM 1053 CA PRO A 68 7.638 -7.404 2.682 1.00 0.00 C ATOM 1054 C PRO A 68 9.056 -6.791 2.766 1.00 0.00 C ATOM 1055 O PRO A 68 9.225 -5.581 2.763 1.00 0.00 O ATOM 1056 CB PRO A 68 7.168 -7.966 4.045 1.00 0.00 C ATOM 1057 CG PRO A 68 7.059 -9.510 3.897 1.00 0.00 C ATOM 1058 CD PRO A 68 7.156 -9.831 2.392 1.00 0.00 C ATOM 0 HA PRO A 68 6.996 -6.593 2.339 1.00 0.00 H new ATOM 0 HB2 PRO A 68 7.875 -7.705 4.833 1.00 0.00 H new ATOM 0 HB3 PRO A 68 6.206 -7.538 4.326 1.00 0.00 H new ATOM 0 HG2 PRO A 68 7.857 -10.007 4.449 1.00 0.00 H new ATOM 0 HG3 PRO A 68 6.116 -9.870 4.307 1.00 0.00 H new ATOM 0 HD2 PRO A 68 7.858 -10.643 2.205 1.00 0.00 H new ATOM 0 HD3 PRO A 68 6.192 -10.144 1.991 1.00 0.00 H new ATOM 1066 N GLU A 69 10.075 -7.608 2.853 1.00 0.00 N ATOM 1067 CA GLU A 69 11.464 -7.059 2.957 1.00 0.00 C ATOM 1068 C GLU A 69 11.850 -6.303 1.677 1.00 0.00 C ATOM 1069 O GLU A 69 12.553 -5.309 1.723 1.00 0.00 O ATOM 1070 CB GLU A 69 12.457 -8.201 3.214 1.00 0.00 C ATOM 1071 CG GLU A 69 12.492 -9.159 2.020 1.00 0.00 C ATOM 1072 CD GLU A 69 13.373 -10.362 2.361 1.00 0.00 C ATOM 1073 OE1 GLU A 69 13.068 -11.040 3.329 1.00 0.00 O ATOM 1074 OE2 GLU A 69 14.338 -10.587 1.649 1.00 0.00 O ATOM 0 H GLU A 69 10.008 -8.626 2.857 1.00 0.00 H new ATOM 0 HA GLU A 69 11.497 -6.358 3.791 1.00 0.00 H new ATOM 0 HB2 GLU A 69 13.452 -7.793 3.390 1.00 0.00 H new ATOM 0 HB3 GLU A 69 12.171 -8.744 4.115 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.483 -9.491 1.776 1.00 0.00 H new ATOM 0 HG3 GLU A 69 12.881 -8.647 1.140 1.00 0.00 H new ATOM 1081 N LEU A 70 11.395 -6.740 0.534 1.00 0.00 N ATOM 1082 CA LEU A 70 11.750 -6.013 -0.716 1.00 0.00 C ATOM 1083 C LEU A 70 11.184 -4.597 -0.614 1.00 0.00 C ATOM 1084 O LEU A 70 11.861 -3.626 -0.886 1.00 0.00 O ATOM 1085 CB LEU A 70 11.157 -6.757 -1.925 1.00 0.00 C ATOM 1086 CG LEU A 70 11.111 -5.852 -3.170 1.00 0.00 C ATOM 1087 CD1 LEU A 70 12.516 -5.328 -3.480 1.00 0.00 C ATOM 1088 CD2 LEU A 70 10.603 -6.660 -4.374 1.00 0.00 C ATOM 0 H LEU A 70 10.800 -7.559 0.413 1.00 0.00 H new ATOM 0 HA LEU A 70 12.831 -5.964 -0.847 1.00 0.00 H new ATOM 0 HB2 LEU A 70 11.755 -7.643 -2.139 1.00 0.00 H new ATOM 0 HB3 LEU A 70 10.151 -7.101 -1.685 1.00 0.00 H new ATOM 0 HG LEU A 70 10.441 -5.014 -2.977 1.00 0.00 H new ATOM 0 HD11 LEU A 70 12.479 -4.688 -4.362 1.00 0.00 H new ATOM 0 HD12 LEU A 70 12.886 -4.754 -2.630 1.00 0.00 H new ATOM 0 HD13 LEU A 70 13.184 -6.168 -3.669 1.00 0.00 H new ATOM 0 HD21 LEU A 70 10.571 -6.019 -5.255 1.00 0.00 H new ATOM 0 HD22 LEU A 70 11.275 -7.498 -4.560 1.00 0.00 H new ATOM 0 HD23 LEU A 70 9.602 -7.037 -4.163 1.00 0.00 H new ATOM 1100 N VAL A 71 9.944 -4.475 -0.213 1.00 0.00 N ATOM 1101 CA VAL A 71 9.320 -3.123 -0.079 1.00 0.00 C ATOM 1102 C VAL A 71 10.323 -2.177 0.567 1.00 0.00 C ATOM 1103 O VAL A 71 10.629 -1.133 0.034 1.00 0.00 O ATOM 1104 CB VAL A 71 8.061 -3.212 0.791 1.00 0.00 C ATOM 1105 CG1 VAL A 71 7.136 -2.029 0.498 1.00 0.00 C ATOM 1106 CG2 VAL A 71 7.336 -4.510 0.474 1.00 0.00 C ATOM 0 H VAL A 71 9.334 -5.256 0.028 1.00 0.00 H new ATOM 0 HA VAL A 71 9.042 -2.750 -1.065 1.00 0.00 H new ATOM 0 HB VAL A 71 8.344 -3.187 1.843 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.244 -2.101 1.121 1.00 0.00 H new ATOM 0 HG12 VAL A 71 7.657 -1.097 0.717 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.847 -2.045 -0.553 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.438 -4.584 1.087 1.00 0.00 H new ATOM 0 HG22 VAL A 71 7.058 -4.523 -0.580 1.00 0.00 H new ATOM 0 HG23 VAL A 71 7.992 -5.354 0.687 1.00 0.00 H new ATOM 1116 N CYS A 72 10.861 -2.548 1.702 1.00 0.00 N ATOM 1117 CA CYS A 72 11.874 -1.665 2.356 1.00 0.00 C ATOM 1118 C CYS A 72 12.890 -1.228 1.298 1.00 0.00 C ATOM 1119 O CYS A 72 13.296 -0.084 1.246 1.00 0.00 O ATOM 1120 CB CYS A 72 12.598 -2.420 3.468 1.00 0.00 C ATOM 1121 SG CYS A 72 11.530 -2.538 4.919 1.00 0.00 S ATOM 0 H CYS A 72 10.646 -3.413 2.199 1.00 0.00 H new ATOM 0 HA CYS A 72 11.375 -0.798 2.790 1.00 0.00 H new ATOM 0 HB2 CYS A 72 12.872 -3.417 3.125 1.00 0.00 H new ATOM 0 HB3 CYS A 72 13.524 -1.906 3.727 1.00 0.00 H new ATOM 1126 N SER A 73 13.282 -2.129 0.436 1.00 0.00 N ATOM 1127 CA SER A 73 14.248 -1.752 -0.631 1.00 0.00 C ATOM 1128 C SER A 73 13.577 -0.714 -1.545 1.00 0.00 C ATOM 1129 O SER A 73 14.056 0.394 -1.688 1.00 0.00 O ATOM 1130 CB SER A 73 14.663 -3.004 -1.425 1.00 0.00 C ATOM 1131 OG SER A 73 16.075 -3.155 -1.342 1.00 0.00 O ATOM 0 H SER A 73 12.976 -3.102 0.426 1.00 0.00 H new ATOM 0 HA SER A 73 15.149 -1.320 -0.197 1.00 0.00 H new ATOM 0 HB2 SER A 73 14.165 -3.887 -1.024 1.00 0.00 H new ATOM 0 HB3 SER A 73 14.355 -2.910 -2.466 1.00 0.00 H new ATOM 0 HG SER A 73 16.349 -3.951 -1.843 1.00 0.00 H new ATOM 1137 N MET A 74 12.463 -1.050 -2.153 1.00 0.00 N ATOM 1138 CA MET A 74 11.777 -0.054 -3.032 1.00 0.00 C ATOM 1139 C MET A 74 11.628 1.262 -2.259 1.00 0.00 C ATOM 1140 O MET A 74 11.882 2.332 -2.773 1.00 0.00 O ATOM 1141 CB MET A 74 10.378 -0.560 -3.417 1.00 0.00 C ATOM 1142 CG MET A 74 10.467 -1.647 -4.495 1.00 0.00 C ATOM 1143 SD MET A 74 8.852 -1.823 -5.306 1.00 0.00 S ATOM 1144 CE MET A 74 7.940 -2.514 -3.901 1.00 0.00 C ATOM 0 H MET A 74 12.006 -1.959 -2.079 1.00 0.00 H new ATOM 0 HA MET A 74 12.367 0.094 -3.937 1.00 0.00 H new ATOM 0 HB2 MET A 74 9.875 -0.957 -2.535 1.00 0.00 H new ATOM 0 HB3 MET A 74 9.774 0.271 -3.782 1.00 0.00 H new ATOM 0 HG2 MET A 74 11.229 -1.385 -5.229 1.00 0.00 H new ATOM 0 HG3 MET A 74 10.767 -2.595 -4.048 1.00 0.00 H new ATOM 0 HE1 MET A 74 7.074 -3.066 -4.266 1.00 0.00 H new ATOM 0 HE2 MET A 74 8.589 -3.187 -3.341 1.00 0.00 H new ATOM 0 HE3 MET A 74 7.608 -1.706 -3.250 1.00 0.00 H new