USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 424 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 36 ASN : amide:sc= -0.623 K(o=-0.91,f=-18!) USER MOD Set 1.2: A 39 THR OG1 : rot 180:sc= -0.29 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0168 USER MOD Single : A 20 THR OG1 : rot -47:sc= -1.87! USER MOD Single : A 23 CYS SG : rot 180:sc= -1.07 USER MOD Single : A 27 THR OG1 : rot -130:sc= -0.295 USER MOD Single : A 35 TYR OH : rot 180:sc= -0.606 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 35:sc= 0.997 USER MOD Single : A 43 MET CE :methyl -162:sc= -2.51! (180deg=-4.14!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 65 HIS : no HD1:sc= -1.83 K(o=-1.8,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 120 N PRO A 11 -5.793 -10.284 -6.350 1.00 0.00 N ATOM 121 CA PRO A 11 -6.795 -9.936 -5.338 1.00 0.00 C ATOM 122 C PRO A 11 -7.954 -10.925 -5.305 1.00 0.00 C ATOM 123 O PRO A 11 -8.144 -11.706 -6.238 1.00 0.00 O ATOM 124 CB PRO A 11 -7.282 -8.555 -5.782 1.00 0.00 C ATOM 125 CG PRO A 11 -7.027 -8.516 -7.249 1.00 0.00 C ATOM 126 CD PRO A 11 -5.785 -9.333 -7.474 1.00 0.00 C ATOM 0 HA PRO A 11 -6.380 -9.953 -4.330 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -8.341 -8.419 -5.561 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -6.743 -7.761 -5.265 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.871 -8.927 -7.803 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -6.888 -7.491 -7.594 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -5.811 -9.847 -8.435 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -4.889 -8.712 -7.468 1.00 0.00 H new ATOM 134 N VAL A 12 -8.728 -10.888 -4.225 1.00 0.00 N ATOM 135 CA VAL A 12 -9.870 -11.781 -4.071 1.00 0.00 C ATOM 136 C VAL A 12 -11.176 -11.063 -4.394 1.00 0.00 C ATOM 137 O VAL A 12 -12.107 -11.659 -4.936 1.00 0.00 O ATOM 138 CB VAL A 12 -9.950 -12.349 -2.642 1.00 0.00 C ATOM 139 CG1 VAL A 12 -8.714 -13.178 -2.327 1.00 0.00 C ATOM 140 CG2 VAL A 12 -10.121 -11.226 -1.631 1.00 0.00 C ATOM 0 H VAL A 12 -8.585 -10.249 -3.443 1.00 0.00 H new ATOM 0 HA VAL A 12 -9.726 -12.602 -4.773 1.00 0.00 H new ATOM 0 HB VAL A 12 -10.821 -13.001 -2.577 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.788 -13.571 -1.313 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.641 -14.006 -3.033 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.825 -12.552 -2.409 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.176 -11.646 -0.627 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.271 -10.547 -1.695 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -11.039 -10.679 -1.846 1.00 0.00 H new ATOM 150 N ALA A 13 -11.237 -9.778 -4.059 1.00 0.00 N ATOM 151 CA ALA A 13 -12.428 -8.977 -4.316 1.00 0.00 C ATOM 152 C ALA A 13 -12.066 -7.515 -4.550 1.00 0.00 C ATOM 153 O ALA A 13 -10.996 -7.057 -4.148 1.00 0.00 O ATOM 154 CB ALA A 13 -13.407 -9.102 -3.158 1.00 0.00 C ATOM 0 H ALA A 13 -10.476 -9.270 -3.609 1.00 0.00 H new ATOM 0 HA ALA A 13 -12.903 -9.355 -5.221 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -14.292 -8.499 -3.363 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -13.699 -10.146 -3.039 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -12.933 -8.751 -2.241 1.00 0.00 H new ATOM 160 N THR A 14 -12.964 -6.785 -5.204 1.00 0.00 N ATOM 161 CA THR A 14 -12.739 -5.374 -5.493 1.00 0.00 C ATOM 162 C THR A 14 -14.042 -4.586 -5.433 1.00 0.00 C ATOM 163 O THR A 14 -15.066 -5.020 -5.960 1.00 0.00 O ATOM 164 CB THR A 14 -12.098 -5.181 -6.880 1.00 0.00 C ATOM 165 OG1 THR A 14 -11.057 -6.145 -7.078 1.00 0.00 O ATOM 166 CG2 THR A 14 -11.530 -3.777 -7.023 1.00 0.00 C ATOM 0 H THR A 14 -13.855 -7.148 -5.544 1.00 0.00 H new ATOM 0 HA THR A 14 -12.056 -4.999 -4.730 1.00 0.00 H new ATOM 0 HB THR A 14 -12.871 -5.322 -7.635 1.00 0.00 H new ATOM 0 HG1 THR A 14 -10.656 -6.016 -7.963 1.00 0.00 H new ATOM 0 HG21 THR A 14 -11.083 -3.664 -8.011 1.00 0.00 H new ATOM 0 HG22 THR A 14 -12.330 -3.047 -6.902 1.00 0.00 H new ATOM 0 HG23 THR A 14 -10.770 -3.613 -6.259 1.00 0.00 H new ATOM 174 N ALA A 15 -13.996 -3.424 -4.789 1.00 0.00 N ATOM 175 CA ALA A 15 -15.173 -2.573 -4.663 1.00 0.00 C ATOM 176 C ALA A 15 -14.785 -1.099 -4.647 1.00 0.00 C ATOM 177 O ALA A 15 -13.964 -0.656 -3.843 1.00 0.00 O ATOM 178 CB ALA A 15 -15.950 -2.930 -3.405 1.00 0.00 C ATOM 0 H ALA A 15 -13.156 -3.051 -4.347 1.00 0.00 H new ATOM 0 HA ALA A 15 -15.810 -2.745 -5.531 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.826 -2.287 -3.324 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.268 -3.971 -3.457 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -15.313 -2.788 -2.532 1.00 0.00 H new ATOM 184 N PRO A 16 -15.388 -0.318 -5.556 1.00 0.00 N ATOM 185 CA PRO A 16 -15.120 1.119 -5.667 1.00 0.00 C ATOM 186 C PRO A 16 -15.673 1.904 -4.482 1.00 0.00 C ATOM 187 O PRO A 16 -16.854 1.795 -4.150 1.00 0.00 O ATOM 188 CB PRO A 16 -15.844 1.516 -6.956 1.00 0.00 C ATOM 189 CG PRO A 16 -16.925 0.503 -7.111 1.00 0.00 C ATOM 190 CD PRO A 16 -16.377 -0.778 -6.546 1.00 0.00 C ATOM 0 HA PRO A 16 -14.052 1.335 -5.678 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -16.253 2.524 -6.886 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -15.166 1.506 -7.810 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -17.826 0.810 -6.580 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -17.199 0.382 -8.159 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -17.159 -1.380 -6.083 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -15.916 -1.393 -7.319 1.00 0.00 H new ATOM 198 N ILE A 17 -14.813 2.695 -3.850 1.00 0.00 N ATOM 199 CA ILE A 17 -15.216 3.500 -2.703 1.00 0.00 C ATOM 200 C ILE A 17 -16.054 4.697 -3.139 1.00 0.00 C ATOM 201 O ILE A 17 -15.763 5.360 -4.135 1.00 0.00 O ATOM 202 CB ILE A 17 -13.995 4.004 -1.912 1.00 0.00 C ATOM 203 CG1 ILE A 17 -13.183 2.822 -1.377 1.00 0.00 C ATOM 204 CG2 ILE A 17 -14.440 4.907 -0.771 1.00 0.00 C ATOM 205 CD1 ILE A 17 -12.231 3.197 -0.263 1.00 0.00 C ATOM 0 H ILE A 17 -13.833 2.796 -4.113 1.00 0.00 H new ATOM 0 HA ILE A 17 -15.814 2.855 -2.060 1.00 0.00 H new ATOM 0 HB ILE A 17 -13.360 4.583 -2.582 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -13.868 2.055 -1.016 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -12.615 2.381 -2.196 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -13.566 5.256 -0.221 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -14.980 5.763 -1.174 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -15.093 4.350 -0.099 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -11.689 2.310 0.067 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -11.522 3.941 -0.625 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -12.795 3.610 0.574 1.00 0.00 H new ATOM 217 N PRO A 18 -17.120 4.982 -2.376 1.00 0.00 N ATOM 218 CA PRO A 18 -18.021 6.103 -2.663 1.00 0.00 C ATOM 219 C PRO A 18 -17.361 7.455 -2.418 1.00 0.00 C ATOM 220 O PRO A 18 -16.676 7.650 -1.415 1.00 0.00 O ATOM 221 CB PRO A 18 -19.177 5.887 -1.683 1.00 0.00 C ATOM 222 CG PRO A 18 -18.582 5.111 -0.559 1.00 0.00 C ATOM 223 CD PRO A 18 -17.527 4.234 -1.175 1.00 0.00 C ATOM 0 HA PRO A 18 -18.328 6.122 -3.709 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -19.584 6.837 -1.336 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -19.996 5.341 -2.151 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -18.149 5.776 0.188 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -19.340 4.513 -0.053 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -16.689 4.077 -0.496 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -17.921 3.250 -1.429 1.00 0.00 H new ATOM 231 N GLY A 19 -17.572 8.387 -3.343 1.00 0.00 N ATOM 232 CA GLY A 19 -16.990 9.710 -3.208 1.00 0.00 C ATOM 233 C GLY A 19 -15.564 9.771 -3.718 1.00 0.00 C ATOM 234 O GLY A 19 -15.236 10.594 -4.573 1.00 0.00 O ATOM 0 H GLY A 19 -18.135 8.250 -4.182 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -17.599 10.429 -3.755 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -17.011 10.007 -2.160 1.00 0.00 H new ATOM 238 N THR A 20 -14.711 8.898 -3.191 1.00 0.00 N ATOM 239 CA THR A 20 -13.311 8.857 -3.595 1.00 0.00 C ATOM 240 C THR A 20 -13.094 7.856 -4.724 1.00 0.00 C ATOM 241 O THR A 20 -13.737 6.809 -4.790 1.00 0.00 O ATOM 242 CB THR A 20 -12.396 8.487 -2.413 1.00 0.00 C ATOM 243 OG1 THR A 20 -12.290 7.063 -2.302 1.00 0.00 O ATOM 244 CG2 THR A 20 -12.932 9.064 -1.112 1.00 0.00 C ATOM 0 H THR A 20 -14.966 8.209 -2.483 1.00 0.00 H new ATOM 0 HA THR A 20 -13.053 9.857 -3.945 1.00 0.00 H new ATOM 0 HB THR A 20 -11.409 8.911 -2.600 1.00 0.00 H new ATOM 0 HG1 THR A 20 -13.183 6.663 -2.360 1.00 0.00 H new ATOM 0 HG21 THR A 20 -12.269 8.789 -0.292 1.00 0.00 H new ATOM 0 HG22 THR A 20 -12.983 10.150 -1.189 1.00 0.00 H new ATOM 0 HG23 THR A 20 -13.929 8.667 -0.921 1.00 0.00 H new ATOM 252 N PRO A 21 -12.166 8.184 -5.636 1.00 0.00 N ATOM 253 CA PRO A 21 -11.842 7.325 -6.779 1.00 0.00 C ATOM 254 C PRO A 21 -11.120 6.049 -6.359 1.00 0.00 C ATOM 255 O PRO A 21 -10.802 5.202 -7.194 1.00 0.00 O ATOM 256 CB PRO A 21 -10.923 8.203 -7.632 1.00 0.00 C ATOM 257 CG PRO A 21 -10.314 9.163 -6.669 1.00 0.00 C ATOM 258 CD PRO A 21 -11.361 9.417 -5.620 1.00 0.00 C ATOM 0 HA PRO A 21 -12.737 6.986 -7.301 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -10.160 7.607 -8.133 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -11.483 8.723 -8.409 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.409 8.749 -6.225 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -10.029 10.089 -7.168 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -10.915 9.593 -4.641 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -11.964 10.294 -5.858 1.00 0.00 H new ATOM 266 N TRP A 22 -10.866 5.918 -5.062 1.00 0.00 N ATOM 267 CA TRP A 22 -10.182 4.744 -4.532 1.00 0.00 C ATOM 268 C TRP A 22 -11.093 3.522 -4.565 1.00 0.00 C ATOM 269 O TRP A 22 -12.316 3.646 -4.486 1.00 0.00 O ATOM 270 CB TRP A 22 -9.711 5.006 -3.101 1.00 0.00 C ATOM 271 CG TRP A 22 -8.536 5.933 -3.023 1.00 0.00 C ATOM 272 CD1 TRP A 22 -8.572 7.291 -2.880 1.00 0.00 C ATOM 273 CD2 TRP A 22 -7.152 5.571 -3.084 1.00 0.00 C ATOM 274 NE1 TRP A 22 -7.294 7.794 -2.849 1.00 0.00 N ATOM 275 CE2 TRP A 22 -6.405 6.759 -2.972 1.00 0.00 C ATOM 276 CE3 TRP A 22 -6.472 4.358 -3.222 1.00 0.00 C ATOM 277 CZ2 TRP A 22 -5.013 6.768 -2.994 1.00 0.00 C ATOM 278 CZ3 TRP A 22 -5.090 4.368 -3.244 1.00 0.00 C ATOM 279 CH2 TRP A 22 -4.373 5.566 -3.130 1.00 0.00 C ATOM 0 H TRP A 22 -11.123 6.610 -4.358 1.00 0.00 H new ATOM 0 HA TRP A 22 -9.315 4.544 -5.162 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -10.536 5.427 -2.526 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -9.448 4.057 -2.633 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -9.473 7.882 -2.803 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -7.047 8.779 -2.750 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -7.016 3.429 -3.310 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -4.458 7.690 -2.907 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -4.554 3.437 -3.351 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -3.293 5.541 -3.150 1.00 0.00 H new ATOM 290 N CYS A 23 -10.492 2.344 -4.682 1.00 0.00 N ATOM 291 CA CYS A 23 -11.251 1.099 -4.726 1.00 0.00 C ATOM 292 C CYS A 23 -10.637 0.055 -3.798 1.00 0.00 C ATOM 293 O CYS A 23 -9.492 -0.356 -3.980 1.00 0.00 O ATOM 294 CB CYS A 23 -11.303 0.559 -6.156 1.00 0.00 C ATOM 295 SG CYS A 23 -12.038 1.701 -7.350 1.00 0.00 S ATOM 0 H CYS A 23 -9.481 2.224 -4.748 1.00 0.00 H new ATOM 0 HA CYS A 23 -12.266 1.309 -4.387 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -10.291 0.316 -6.478 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -11.872 -0.371 -6.161 1.00 0.00 H new ATOM 0 HG CYS A 23 -12.035 1.156 -8.530 1.00 0.00 H new ATOM 301 N VAL A 24 -11.408 -0.368 -2.801 1.00 0.00 N ATOM 302 CA VAL A 24 -10.941 -1.363 -1.843 1.00 0.00 C ATOM 303 C VAL A 24 -10.753 -2.721 -2.510 1.00 0.00 C ATOM 304 O VAL A 24 -11.696 -3.291 -3.060 1.00 0.00 O ATOM 305 CB VAL A 24 -11.922 -1.512 -0.666 1.00 0.00 C ATOM 306 CG1 VAL A 24 -11.415 -2.551 0.324 1.00 0.00 C ATOM 307 CG2 VAL A 24 -12.139 -0.172 0.020 1.00 0.00 C ATOM 0 H VAL A 24 -12.359 -0.037 -2.636 1.00 0.00 H new ATOM 0 HA VAL A 24 -9.981 -1.012 -1.463 1.00 0.00 H new ATOM 0 HB VAL A 24 -12.881 -1.854 -1.056 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -12.121 -2.643 1.149 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -11.316 -3.514 -0.178 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -10.444 -2.242 0.710 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -12.835 -0.296 0.849 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -11.187 0.202 0.398 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -12.550 0.540 -0.695 1.00 0.00 H new ATOM 317 N VAL A 25 -9.529 -3.236 -2.456 1.00 0.00 N ATOM 318 CA VAL A 25 -9.217 -4.530 -3.053 1.00 0.00 C ATOM 319 C VAL A 25 -8.706 -5.510 -2.003 1.00 0.00 C ATOM 320 O VAL A 25 -7.742 -5.228 -1.293 1.00 0.00 O ATOM 321 CB VAL A 25 -8.163 -4.393 -4.168 1.00 0.00 C ATOM 322 CG1 VAL A 25 -7.898 -5.742 -4.820 1.00 0.00 C ATOM 323 CG2 VAL A 25 -8.611 -3.371 -5.202 1.00 0.00 C ATOM 0 H VAL A 25 -8.737 -2.778 -2.005 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.143 -4.913 -3.483 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.232 -4.042 -3.723 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.151 -5.626 -5.605 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.531 -6.443 -4.070 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.822 -6.125 -5.252 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.854 -3.287 -5.982 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.555 -3.691 -5.644 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.745 -2.402 -4.721 1.00 0.00 H new ATOM 333 N TRP A 26 -9.360 -6.663 -1.912 1.00 0.00 N ATOM 334 CA TRP A 26 -8.971 -7.687 -0.949 1.00 0.00 C ATOM 335 C TRP A 26 -8.013 -8.692 -1.579 1.00 0.00 C ATOM 336 O TRP A 26 -7.856 -8.735 -2.800 1.00 0.00 O ATOM 337 CB TRP A 26 -10.209 -8.410 -0.415 1.00 0.00 C ATOM 338 CG TRP A 26 -11.029 -7.573 0.519 1.00 0.00 C ATOM 339 CD1 TRP A 26 -10.979 -7.580 1.884 1.00 0.00 C ATOM 340 CD2 TRP A 26 -12.023 -6.608 0.157 1.00 0.00 C ATOM 341 NE1 TRP A 26 -11.881 -6.677 2.392 1.00 0.00 N ATOM 342 CE2 TRP A 26 -12.534 -6.067 1.354 1.00 0.00 C ATOM 343 CE3 TRP A 26 -12.529 -6.146 -1.061 1.00 0.00 C ATOM 344 CZ2 TRP A 26 -13.526 -5.090 1.365 1.00 0.00 C ATOM 345 CZ3 TRP A 26 -13.514 -5.177 -1.048 1.00 0.00 C ATOM 346 CH2 TRP A 26 -14.004 -4.657 0.158 1.00 0.00 C ATOM 0 H TRP A 26 -10.161 -6.912 -2.493 1.00 0.00 H new ATOM 0 HA TRP A 26 -8.459 -7.196 -0.121 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -10.831 -8.719 -1.255 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -9.896 -9.318 0.101 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -10.326 -8.204 2.477 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -12.039 -6.491 3.382 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -12.157 -6.539 -1.996 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -13.905 -4.688 2.293 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -13.913 -4.814 -1.983 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -14.774 -3.900 0.134 1.00 0.00 H new ATOM 357 N THR A 27 -7.373 -9.500 -0.740 1.00 0.00 N ATOM 358 CA THR A 27 -6.430 -10.504 -1.215 1.00 0.00 C ATOM 359 C THR A 27 -6.672 -11.849 -0.540 1.00 0.00 C ATOM 360 O THR A 27 -7.564 -11.984 0.296 1.00 0.00 O ATOM 361 CB THR A 27 -4.973 -10.070 -0.962 1.00 0.00 C ATOM 362 OG1 THR A 27 -4.795 -9.732 0.418 1.00 0.00 O ATOM 363 CG2 THR A 27 -4.605 -8.879 -1.833 1.00 0.00 C ATOM 0 H THR A 27 -7.491 -9.478 0.273 1.00 0.00 H new ATOM 0 HA THR A 27 -6.590 -10.606 -2.288 1.00 0.00 H new ATOM 0 HB THR A 27 -4.319 -10.903 -1.218 1.00 0.00 H new ATOM 0 HG1 THR A 27 -4.358 -8.858 0.487 1.00 0.00 H new ATOM 0 HG21 THR A 27 -3.572 -8.590 -1.637 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.713 -9.149 -2.883 1.00 0.00 H new ATOM 0 HG23 THR A 27 -5.265 -8.043 -1.603 1.00 0.00 H new ATOM 371 N GLY A 28 -5.870 -12.844 -0.908 1.00 0.00 N ATOM 372 CA GLY A 28 -6.013 -14.166 -0.328 1.00 0.00 C ATOM 373 C GLY A 28 -5.401 -14.261 1.056 1.00 0.00 C ATOM 374 O GLY A 28 -5.763 -15.136 1.843 1.00 0.00 O ATOM 0 H GLY A 28 -5.124 -12.757 -1.598 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -7.071 -14.423 -0.273 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.541 -14.899 -0.982 1.00 0.00 H new ATOM 378 N ASP A 29 -4.470 -13.361 1.353 1.00 0.00 N ATOM 379 CA ASP A 29 -3.806 -13.347 2.651 1.00 0.00 C ATOM 380 C ASP A 29 -4.588 -12.504 3.653 1.00 0.00 C ATOM 381 O ASP A 29 -4.021 -11.656 4.341 1.00 0.00 O ATOM 382 CB ASP A 29 -2.382 -12.807 2.513 1.00 0.00 C ATOM 383 CG ASP A 29 -1.435 -13.403 3.536 1.00 0.00 C ATOM 384 OD1 ASP A 29 -1.897 -13.741 4.646 1.00 0.00 O ATOM 385 OD2 ASP A 29 -0.232 -13.533 3.226 1.00 0.00 O ATOM 0 H ASP A 29 -4.158 -12.631 0.712 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.764 -14.371 3.021 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.011 -13.021 1.511 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.395 -11.723 2.623 1.00 0.00 H new ATOM 390 N GLU A 30 -5.894 -12.743 3.728 1.00 0.00 N ATOM 391 CA GLU A 30 -6.754 -12.004 4.645 1.00 0.00 C ATOM 392 C GLU A 30 -6.286 -10.558 4.782 1.00 0.00 C ATOM 393 O GLU A 30 -6.201 -10.024 5.888 1.00 0.00 O ATOM 394 CB GLU A 30 -6.772 -12.678 6.018 1.00 0.00 C ATOM 395 CG GLU A 30 -5.509 -13.464 6.327 1.00 0.00 C ATOM 396 CD GLU A 30 -5.407 -13.854 7.789 1.00 0.00 C ATOM 397 OE1 GLU A 30 -5.970 -13.129 8.636 1.00 0.00 O ATOM 398 OE2 GLU A 30 -4.765 -14.883 8.085 1.00 0.00 O ATOM 0 H GLU A 30 -6.379 -13.442 3.165 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.764 -12.004 4.236 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.913 -11.917 6.785 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.630 -13.348 6.073 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.486 -14.364 5.712 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.639 -12.868 6.052 1.00 0.00 H new ATOM 405 N ARG A 31 -5.984 -9.929 3.651 1.00 0.00 N ATOM 406 CA ARG A 31 -5.524 -8.546 3.644 1.00 0.00 C ATOM 407 C ARG A 31 -6.349 -7.703 2.677 1.00 0.00 C ATOM 408 O ARG A 31 -7.183 -8.225 1.937 1.00 0.00 O ATOM 409 CB ARG A 31 -4.045 -8.481 3.260 1.00 0.00 C ATOM 410 CG ARG A 31 -3.102 -8.591 4.447 1.00 0.00 C ATOM 411 CD ARG A 31 -1.672 -8.251 4.056 1.00 0.00 C ATOM 412 NE ARG A 31 -0.698 -8.869 4.952 1.00 0.00 N ATOM 413 CZ ARG A 31 -0.499 -8.475 6.205 1.00 0.00 C ATOM 414 NH1 ARG A 31 -1.203 -7.470 6.707 1.00 0.00 N ATOM 415 NH2 ARG A 31 0.406 -9.087 6.958 1.00 0.00 N ATOM 0 H ARG A 31 -6.050 -10.356 2.727 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.650 -8.142 4.649 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.825 -9.284 2.557 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.854 -7.542 2.741 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.433 -7.920 5.239 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.139 -9.603 4.850 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.487 -8.583 3.035 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.540 -7.169 4.068 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.140 -9.645 4.596 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.899 -6.997 6.131 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -1.048 -7.170 7.669 1.00 0.00 H new ATOM 0 HH21 ARG A 31 0.949 -9.860 6.575 1.00 0.00 H new ATOM 0 HH22 ARG A 31 0.558 -8.784 7.920 1.00 0.00 H new ATOM 429 N VAL A 32 -6.111 -6.395 2.688 1.00 0.00 N ATOM 430 CA VAL A 32 -6.832 -5.479 1.812 1.00 0.00 C ATOM 431 C VAL A 32 -6.031 -4.204 1.571 1.00 0.00 C ATOM 432 O VAL A 32 -5.390 -3.680 2.483 1.00 0.00 O ATOM 433 CB VAL A 32 -8.206 -5.106 2.399 1.00 0.00 C ATOM 434 CG1 VAL A 32 -8.049 -4.504 3.787 1.00 0.00 C ATOM 435 CG2 VAL A 32 -8.938 -4.146 1.472 1.00 0.00 C ATOM 0 H VAL A 32 -5.424 -5.946 3.294 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.979 -5.997 0.864 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.802 -6.014 2.489 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.031 -4.247 4.185 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.569 -5.228 4.445 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.435 -3.605 3.727 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -9.907 -3.893 1.902 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.347 -3.238 1.348 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.084 -4.619 0.501 1.00 0.00 H new ATOM 445 N PHE A 33 -6.072 -3.710 0.339 1.00 0.00 N ATOM 446 CA PHE A 33 -5.349 -2.496 -0.023 1.00 0.00 C ATOM 447 C PHE A 33 -6.238 -1.554 -0.829 1.00 0.00 C ATOM 448 O PHE A 33 -7.334 -1.925 -1.251 1.00 0.00 O ATOM 449 CB PHE A 33 -4.095 -2.844 -0.827 1.00 0.00 C ATOM 450 CG PHE A 33 -4.390 -3.503 -2.144 1.00 0.00 C ATOM 451 CD1 PHE A 33 -4.598 -4.871 -2.218 1.00 0.00 C ATOM 452 CD2 PHE A 33 -4.460 -2.754 -3.308 1.00 0.00 C ATOM 453 CE1 PHE A 33 -4.870 -5.480 -3.429 1.00 0.00 C ATOM 454 CE2 PHE A 33 -4.733 -3.358 -4.521 1.00 0.00 C ATOM 455 CZ PHE A 33 -4.937 -4.723 -4.581 1.00 0.00 C ATOM 0 H PHE A 33 -6.598 -4.131 -0.426 1.00 0.00 H new ATOM 0 HA PHE A 33 -5.054 -1.991 0.897 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.524 -1.933 -1.006 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.464 -3.505 -0.233 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -4.547 -5.468 -1.320 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -4.299 -1.687 -3.267 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -5.030 -6.547 -3.473 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -4.787 -2.763 -5.421 1.00 0.00 H new ATOM 0 HZ PHE A 33 -5.149 -5.197 -5.528 1.00 0.00 H new ATOM 465 N PHE A 34 -5.759 -0.333 -1.039 1.00 0.00 N ATOM 466 CA PHE A 34 -6.509 0.665 -1.793 1.00 0.00 C ATOM 467 C PHE A 34 -5.905 0.867 -3.180 1.00 0.00 C ATOM 468 O PHE A 34 -4.696 1.049 -3.321 1.00 0.00 O ATOM 469 CB PHE A 34 -6.534 1.994 -1.037 1.00 0.00 C ATOM 470 CG PHE A 34 -6.850 1.847 0.424 1.00 0.00 C ATOM 471 CD1 PHE A 34 -5.929 1.281 1.292 1.00 0.00 C ATOM 472 CD2 PHE A 34 -8.066 2.275 0.931 1.00 0.00 C ATOM 473 CE1 PHE A 34 -6.217 1.144 2.636 1.00 0.00 C ATOM 474 CE2 PHE A 34 -8.360 2.141 2.275 1.00 0.00 C ATOM 475 CZ PHE A 34 -7.434 1.575 3.129 1.00 0.00 C ATOM 0 H PHE A 34 -4.854 -0.010 -0.697 1.00 0.00 H new ATOM 0 HA PHE A 34 -7.530 0.303 -1.910 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -5.565 2.482 -1.144 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -7.273 2.650 -1.496 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -4.976 0.943 0.913 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -8.794 2.719 0.268 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.491 0.700 3.301 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -9.312 2.478 2.657 1.00 0.00 H new ATOM 0 HZ PHE A 34 -7.660 1.469 4.180 1.00 0.00 H new ATOM 485 N TYR A 35 -6.755 0.832 -4.200 1.00 0.00 N ATOM 486 CA TYR A 35 -6.306 1.008 -5.576 1.00 0.00 C ATOM 487 C TYR A 35 -7.034 2.172 -6.242 1.00 0.00 C ATOM 488 O TYR A 35 -8.240 2.344 -6.070 1.00 0.00 O ATOM 489 CB TYR A 35 -6.533 -0.275 -6.376 1.00 0.00 C ATOM 490 CG TYR A 35 -6.525 -0.064 -7.873 1.00 0.00 C ATOM 491 CD1 TYR A 35 -5.359 0.299 -8.537 1.00 0.00 C ATOM 492 CD2 TYR A 35 -7.683 -0.227 -8.624 1.00 0.00 C ATOM 493 CE1 TYR A 35 -5.347 0.493 -9.905 1.00 0.00 C ATOM 494 CE2 TYR A 35 -7.680 -0.036 -9.992 1.00 0.00 C ATOM 495 CZ TYR A 35 -6.510 0.324 -10.628 1.00 0.00 C ATOM 496 OH TYR A 35 -6.503 0.517 -11.990 1.00 0.00 O ATOM 0 H TYR A 35 -7.759 0.683 -4.100 1.00 0.00 H new ATOM 0 HA TYR A 35 -5.240 1.233 -5.558 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.760 -0.998 -6.115 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -7.488 -0.711 -6.084 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -4.447 0.432 -7.974 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -8.601 -0.508 -8.129 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -4.433 0.775 -10.405 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.589 -0.168 -10.561 1.00 0.00 H new ATOM 0 HH TYR A 35 -7.401 0.357 -12.348 1.00 0.00 H new ATOM 506 N ASN A 36 -6.291 2.968 -7.003 1.00 0.00 N ATOM 507 CA ASN A 36 -6.864 4.116 -7.696 1.00 0.00 C ATOM 508 C ASN A 36 -6.786 3.933 -9.209 1.00 0.00 C ATOM 509 O ASN A 36 -5.753 4.168 -9.835 1.00 0.00 O ATOM 510 CB ASN A 36 -6.137 5.399 -7.289 1.00 0.00 C ATOM 511 CG ASN A 36 -6.839 6.646 -7.791 1.00 0.00 C ATOM 512 OD1 ASN A 36 -7.125 6.774 -8.982 1.00 0.00 O ATOM 513 ND2 ASN A 36 -7.120 7.573 -6.883 1.00 0.00 N ATOM 0 H ASN A 36 -5.291 2.839 -7.156 1.00 0.00 H new ATOM 0 HA ASN A 36 -7.913 4.194 -7.410 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.061 5.441 -6.202 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.120 5.376 -7.679 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -7.591 8.433 -7.162 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.864 7.425 -5.907 1.00 0.00 H new ATOM 520 N PRO A 37 -7.905 3.504 -9.811 1.00 0.00 N ATOM 521 CA PRO A 37 -7.990 3.280 -11.257 1.00 0.00 C ATOM 522 C PRO A 37 -7.947 4.583 -12.048 1.00 0.00 C ATOM 523 O PRO A 37 -7.916 4.574 -13.280 1.00 0.00 O ATOM 524 CB PRO A 37 -9.347 2.594 -11.431 1.00 0.00 C ATOM 525 CG PRO A 37 -10.150 3.040 -10.258 1.00 0.00 C ATOM 526 CD PRO A 37 -9.174 3.204 -9.126 1.00 0.00 C ATOM 0 HA PRO A 37 -7.150 2.693 -11.629 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.820 2.885 -12.369 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.243 1.509 -11.450 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -10.663 3.978 -10.470 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -10.917 2.307 -10.009 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -9.469 4.011 -8.455 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -9.101 2.299 -8.524 1.00 0.00 H new ATOM 534 N THR A 38 -7.946 5.704 -11.334 1.00 0.00 N ATOM 535 CA THR A 38 -7.907 7.015 -11.970 1.00 0.00 C ATOM 536 C THR A 38 -6.478 7.536 -12.070 1.00 0.00 C ATOM 537 O THR A 38 -6.129 8.246 -13.014 1.00 0.00 O ATOM 538 CB THR A 38 -8.761 8.039 -11.198 1.00 0.00 C ATOM 539 OG1 THR A 38 -10.069 7.507 -10.961 1.00 0.00 O ATOM 540 CG2 THR A 38 -8.871 9.344 -11.971 1.00 0.00 C ATOM 0 H THR A 38 -7.972 5.730 -10.315 1.00 0.00 H new ATOM 0 HA THR A 38 -8.317 6.892 -12.972 1.00 0.00 H new ATOM 0 HB THR A 38 -8.273 8.240 -10.244 1.00 0.00 H new ATOM 0 HG1 THR A 38 -10.605 8.163 -10.468 1.00 0.00 H new ATOM 0 HG21 THR A 38 -9.478 10.051 -11.406 1.00 0.00 H new ATOM 0 HG22 THR A 38 -7.876 9.761 -12.124 1.00 0.00 H new ATOM 0 HG23 THR A 38 -9.338 9.156 -12.938 1.00 0.00 H new ATOM 548 N THR A 39 -5.652 7.178 -11.092 1.00 0.00 N ATOM 549 CA THR A 39 -4.260 7.609 -11.070 1.00 0.00 C ATOM 550 C THR A 39 -3.314 6.413 -11.067 1.00 0.00 C ATOM 551 O THR A 39 -2.130 6.547 -10.756 1.00 0.00 O ATOM 552 CB THR A 39 -3.963 8.487 -9.841 1.00 0.00 C ATOM 553 OG1 THR A 39 -4.215 7.750 -8.639 1.00 0.00 O ATOM 554 CG2 THR A 39 -4.815 9.747 -9.857 1.00 0.00 C ATOM 0 H THR A 39 -5.924 6.590 -10.304 1.00 0.00 H new ATOM 0 HA THR A 39 -4.097 8.196 -11.974 1.00 0.00 H new ATOM 0 HB THR A 39 -2.913 8.777 -9.875 1.00 0.00 H new ATOM 0 HG1 THR A 39 -4.022 8.315 -7.862 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.587 10.351 -8.979 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.599 10.321 -10.758 1.00 0.00 H new ATOM 0 HG23 THR A 39 -5.870 9.473 -9.845 1.00 0.00 H new ATOM 562 N ARG A 40 -3.843 5.245 -11.416 1.00 0.00 N ATOM 563 CA ARG A 40 -3.045 4.025 -11.452 1.00 0.00 C ATOM 564 C ARG A 40 -2.164 3.915 -10.212 1.00 0.00 C ATOM 565 O ARG A 40 -1.032 3.433 -10.282 1.00 0.00 O ATOM 566 CB ARG A 40 -2.178 3.996 -12.712 1.00 0.00 C ATOM 567 CG ARG A 40 -2.965 4.189 -13.998 1.00 0.00 C ATOM 568 CD ARG A 40 -2.154 3.771 -15.215 1.00 0.00 C ATOM 569 NE ARG A 40 -3.005 3.286 -16.299 1.00 0.00 N ATOM 570 CZ ARG A 40 -2.553 2.574 -17.325 1.00 0.00 C ATOM 571 NH1 ARG A 40 -1.267 2.265 -17.407 1.00 0.00 N ATOM 572 NH2 ARG A 40 -3.390 2.169 -18.272 1.00 0.00 N ATOM 0 H ARG A 40 -4.821 5.118 -11.678 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.726 3.174 -11.468 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.420 4.776 -12.639 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.651 3.043 -12.758 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.885 3.606 -13.954 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.256 5.235 -14.095 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.566 4.618 -15.567 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.449 2.990 -14.930 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.000 3.506 -16.266 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.621 2.574 -16.681 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.923 1.718 -18.196 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.381 2.405 -18.212 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.043 1.622 -19.060 1.00 0.00 H new ATOM 586 N LEU A 41 -2.688 4.366 -9.078 1.00 0.00 N ATOM 587 CA LEU A 41 -1.949 4.318 -7.821 1.00 0.00 C ATOM 588 C LEU A 41 -2.377 3.118 -6.982 1.00 0.00 C ATOM 589 O LEU A 41 -3.568 2.881 -6.782 1.00 0.00 O ATOM 590 CB LEU A 41 -2.165 5.610 -7.031 1.00 0.00 C ATOM 591 CG LEU A 41 -1.027 6.024 -6.097 1.00 0.00 C ATOM 592 CD1 LEU A 41 -0.990 5.126 -4.870 1.00 0.00 C ATOM 593 CD2 LEU A 41 0.306 5.983 -6.830 1.00 0.00 C ATOM 0 H LEU A 41 -3.622 4.769 -9.003 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.889 4.214 -8.055 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.340 6.420 -7.739 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.074 5.502 -6.439 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.207 7.047 -5.768 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.174 5.436 -4.217 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.935 5.205 -4.332 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.835 4.093 -5.180 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.104 6.281 -6.150 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.493 4.971 -7.189 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.277 6.668 -7.677 1.00 0.00 H new ATOM 605 N SER A 42 -1.397 2.365 -6.493 1.00 0.00 N ATOM 606 CA SER A 42 -1.672 1.188 -5.677 1.00 0.00 C ATOM 607 C SER A 42 -0.787 1.170 -4.435 1.00 0.00 C ATOM 608 O SER A 42 0.415 0.918 -4.519 1.00 0.00 O ATOM 609 CB SER A 42 -1.452 -0.087 -6.493 1.00 0.00 C ATOM 610 OG SER A 42 -0.088 -0.238 -6.846 1.00 0.00 O ATOM 0 H SER A 42 -0.406 2.549 -6.648 1.00 0.00 H new ATOM 0 HA SER A 42 -2.714 1.232 -5.359 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.780 -0.952 -5.917 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.063 -0.055 -7.395 1.00 0.00 H new ATOM 0 HG SER A 42 0.477 0.096 -6.118 1.00 0.00 H new ATOM 616 N MET A 43 -1.390 1.438 -3.282 1.00 0.00 N ATOM 617 CA MET A 43 -0.658 1.452 -2.021 1.00 0.00 C ATOM 618 C MET A 43 -1.021 0.240 -1.169 1.00 0.00 C ATOM 619 O MET A 43 -1.936 -0.513 -1.501 1.00 0.00 O ATOM 620 CB MET A 43 -0.952 2.739 -1.249 1.00 0.00 C ATOM 621 CG MET A 43 -0.933 3.986 -2.118 1.00 0.00 C ATOM 622 SD MET A 43 -0.465 5.466 -1.199 1.00 0.00 S ATOM 623 CE MET A 43 -1.193 5.116 0.399 1.00 0.00 C ATOM 0 H MET A 43 -2.384 1.649 -3.195 1.00 0.00 H new ATOM 0 HA MET A 43 0.407 1.409 -2.248 1.00 0.00 H new ATOM 0 HB2 MET A 43 -1.929 2.653 -0.773 1.00 0.00 H new ATOM 0 HB3 MET A 43 -0.217 2.851 -0.451 1.00 0.00 H new ATOM 0 HG2 MET A 43 -0.235 3.839 -2.942 1.00 0.00 H new ATOM 0 HG3 MET A 43 -1.919 4.133 -2.558 1.00 0.00 H new ATOM 0 HE1 MET A 43 -1.275 6.040 0.971 1.00 0.00 H new ATOM 0 HE2 MET A 43 -2.185 4.685 0.261 1.00 0.00 H new ATOM 0 HE3 MET A 43 -0.563 4.410 0.939 1.00 0.00 H new ATOM 633 N TRP A 44 -0.297 0.057 -0.070 1.00 0.00 N ATOM 634 CA TRP A 44 -0.544 -1.064 0.830 1.00 0.00 C ATOM 635 C TRP A 44 -1.262 -0.601 2.093 1.00 0.00 C ATOM 636 O TRP A 44 -1.756 -1.417 2.871 1.00 0.00 O ATOM 637 CB TRP A 44 0.774 -1.748 1.199 1.00 0.00 C ATOM 638 CG TRP A 44 1.150 -2.856 0.263 1.00 0.00 C ATOM 639 CD1 TRP A 44 2.211 -2.879 -0.596 1.00 0.00 C ATOM 640 CD2 TRP A 44 0.466 -4.102 0.092 1.00 0.00 C ATOM 641 NE1 TRP A 44 2.228 -4.064 -1.292 1.00 0.00 N ATOM 642 CE2 TRP A 44 1.168 -4.832 -0.887 1.00 0.00 C ATOM 643 CE3 TRP A 44 -0.670 -4.673 0.671 1.00 0.00 C ATOM 644 CZ2 TRP A 44 0.769 -6.101 -1.298 1.00 0.00 C ATOM 645 CZ3 TRP A 44 -1.065 -5.933 0.262 1.00 0.00 C ATOM 646 CH2 TRP A 44 -0.347 -6.636 -0.714 1.00 0.00 C ATOM 0 H TRP A 44 0.465 0.670 0.219 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.184 -1.779 0.313 1.00 0.00 H new ATOM 0 HB2 TRP A 44 1.571 -1.004 1.209 1.00 0.00 H new ATOM 0 HB3 TRP A 44 0.697 -2.147 2.211 1.00 0.00 H new ATOM 0 HD1 TRP A 44 2.931 -2.083 -0.712 1.00 0.00 H new ATOM 0 HE1 TRP A 44 2.917 -4.329 -1.996 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -1.230 -4.139 1.425 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 1.321 -6.644 -2.051 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -1.942 -6.383 0.703 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.681 -7.619 -1.011 1.00 0.00 H new ATOM 657 N ASP A 45 -1.316 0.711 2.290 1.00 0.00 N ATOM 658 CA ASP A 45 -1.975 1.283 3.459 1.00 0.00 C ATOM 659 C ASP A 45 -3.042 2.290 3.042 1.00 0.00 C ATOM 660 O ASP A 45 -3.232 2.554 1.855 1.00 0.00 O ATOM 661 CB ASP A 45 -0.949 1.955 4.372 1.00 0.00 C ATOM 662 CG ASP A 45 -0.222 0.962 5.256 1.00 0.00 C ATOM 663 OD1 ASP A 45 -0.832 0.480 6.234 1.00 0.00 O ATOM 664 OD2 ASP A 45 0.957 0.665 4.971 1.00 0.00 O ATOM 0 H ASP A 45 -0.911 1.399 1.655 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.459 0.474 4.005 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -0.223 2.494 3.763 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -1.452 2.693 4.997 1.00 0.00 H new ATOM 669 N ARG A 46 -3.737 2.850 4.028 1.00 0.00 N ATOM 670 CA ARG A 46 -4.786 3.827 3.764 1.00 0.00 C ATOM 671 C ARG A 46 -4.199 5.227 3.611 1.00 0.00 C ATOM 672 O ARG A 46 -3.707 5.828 4.566 1.00 0.00 O ATOM 673 CB ARG A 46 -5.819 3.815 4.892 1.00 0.00 C ATOM 674 CG ARG A 46 -7.106 4.547 4.547 1.00 0.00 C ATOM 675 CD ARG A 46 -7.045 6.008 4.964 1.00 0.00 C ATOM 676 NE ARG A 46 -7.389 6.191 6.371 1.00 0.00 N ATOM 677 CZ ARG A 46 -8.636 6.298 6.815 1.00 0.00 C ATOM 678 NH1 ARG A 46 -9.653 6.240 5.966 1.00 0.00 N ATOM 679 NH2 ARG A 46 -8.868 6.462 8.111 1.00 0.00 N ATOM 0 H ARG A 46 -3.592 2.643 5.016 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.276 3.554 2.830 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -6.055 2.782 5.146 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.380 4.269 5.780 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.287 4.481 3.474 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -7.946 4.061 5.043 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.042 6.395 4.783 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.728 6.590 4.345 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.630 6.239 7.050 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -9.479 6.113 4.969 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -10.610 6.322 6.310 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.088 6.506 8.767 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -9.826 6.544 8.451 1.00 0.00 H new ATOM 693 N PRO A 47 -4.251 5.760 2.381 1.00 0.00 N ATOM 694 CA PRO A 47 -3.729 7.095 2.074 1.00 0.00 C ATOM 695 C PRO A 47 -4.572 8.204 2.696 1.00 0.00 C ATOM 696 O PRO A 47 -5.719 7.981 3.084 1.00 0.00 O ATOM 697 CB PRO A 47 -3.802 7.162 0.547 1.00 0.00 C ATOM 698 CG PRO A 47 -4.881 6.204 0.176 1.00 0.00 C ATOM 699 CD PRO A 47 -4.823 5.100 1.195 1.00 0.00 C ATOM 0 HA PRO A 47 -2.726 7.242 2.474 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -4.034 8.171 0.206 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -2.851 6.883 0.093 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.856 6.692 0.184 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -4.728 5.815 -0.830 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.812 4.691 1.401 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -4.200 4.272 0.856 1.00 0.00 H new ATOM 707 N ASP A 48 -3.996 9.397 2.788 1.00 0.00 N ATOM 708 CA ASP A 48 -4.695 10.541 3.361 1.00 0.00 C ATOM 709 C ASP A 48 -5.945 10.875 2.554 1.00 0.00 C ATOM 710 O ASP A 48 -6.987 11.214 3.115 1.00 0.00 O ATOM 711 CB ASP A 48 -3.768 11.757 3.416 1.00 0.00 C ATOM 712 CG ASP A 48 -4.097 12.684 4.569 1.00 0.00 C ATOM 713 OD1 ASP A 48 -3.789 12.326 5.725 1.00 0.00 O ATOM 714 OD2 ASP A 48 -4.664 13.768 4.316 1.00 0.00 O ATOM 0 H ASP A 48 -3.047 9.597 2.473 1.00 0.00 H new ATOM 0 HA ASP A 48 -4.999 10.279 4.375 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.736 11.419 3.508 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.840 12.308 2.478 1.00 0.00 H new ATOM 719 N ASP A 49 -5.833 10.778 1.233 1.00 0.00 N ATOM 720 CA ASP A 49 -6.955 11.070 0.348 1.00 0.00 C ATOM 721 C ASP A 49 -8.240 10.437 0.872 1.00 0.00 C ATOM 722 O ASP A 49 -9.342 10.871 0.532 1.00 0.00 O ATOM 723 CB ASP A 49 -6.662 10.563 -1.065 1.00 0.00 C ATOM 724 CG ASP A 49 -5.774 11.511 -1.848 1.00 0.00 C ATOM 725 OD1 ASP A 49 -6.200 12.661 -2.087 1.00 0.00 O ATOM 726 OD2 ASP A 49 -4.655 11.104 -2.221 1.00 0.00 O ATOM 0 H ASP A 49 -4.978 10.500 0.752 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.090 12.151 0.318 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.182 9.586 -1.005 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -7.601 10.424 -1.600 1.00 0.00 H new ATOM 731 N LEU A 50 -8.092 9.409 1.700 1.00 0.00 N ATOM 732 CA LEU A 50 -9.241 8.715 2.271 1.00 0.00 C ATOM 733 C LEU A 50 -9.412 9.067 3.746 1.00 0.00 C ATOM 734 O LEU A 50 -10.534 9.197 4.237 1.00 0.00 O ATOM 735 CB LEU A 50 -9.079 7.202 2.111 1.00 0.00 C ATOM 736 CG LEU A 50 -9.287 6.651 0.701 1.00 0.00 C ATOM 737 CD1 LEU A 50 -9.138 5.137 0.692 1.00 0.00 C ATOM 738 CD2 LEU A 50 -10.652 7.057 0.164 1.00 0.00 C ATOM 0 H LEU A 50 -7.188 9.038 1.991 1.00 0.00 H new ATOM 0 HA LEU A 50 -10.133 9.037 1.734 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.078 6.927 2.443 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.784 6.708 2.780 1.00 0.00 H new ATOM 0 HG LEU A 50 -8.522 7.075 0.050 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -9.289 4.763 -0.320 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.138 4.868 1.033 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -9.879 4.694 1.357 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -10.782 6.655 -0.841 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -11.431 6.662 0.816 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -10.722 8.144 0.132 1.00 0.00 H new ATOM 750 N ILE A 51 -8.293 9.221 4.445 1.00 0.00 N ATOM 751 CA ILE A 51 -8.320 9.561 5.863 1.00 0.00 C ATOM 752 C ILE A 51 -9.362 10.636 6.151 1.00 0.00 C ATOM 753 O ILE A 51 -9.305 11.734 5.598 1.00 0.00 O ATOM 754 CB ILE A 51 -6.943 10.052 6.350 1.00 0.00 C ATOM 755 CG1 ILE A 51 -5.907 8.933 6.229 1.00 0.00 C ATOM 756 CG2 ILE A 51 -7.035 10.544 7.786 1.00 0.00 C ATOM 757 CD1 ILE A 51 -4.538 9.320 6.742 1.00 0.00 C ATOM 0 H ILE A 51 -7.357 9.116 4.054 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.583 8.650 6.401 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.626 10.884 5.721 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -6.260 8.061 6.780 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.824 8.637 5.183 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.055 10.888 8.116 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.747 11.368 7.844 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.370 9.730 8.429 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.855 8.479 6.625 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.165 10.173 6.175 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.607 9.588 7.796 1.00 0.00 H new ATOM 769 N GLY A 52 -10.313 10.313 7.022 1.00 0.00 N ATOM 770 CA GLY A 52 -11.354 11.263 7.370 1.00 0.00 C ATOM 771 C GLY A 52 -12.735 10.778 6.980 1.00 0.00 C ATOM 772 O GLY A 52 -13.725 11.109 7.633 1.00 0.00 O ATOM 0 H GLY A 52 -10.381 9.411 7.493 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.327 11.449 8.444 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.153 12.214 6.877 1.00 0.00 H new ATOM 776 N ARG A 53 -12.805 9.992 5.910 1.00 0.00 N ATOM 777 CA ARG A 53 -14.076 9.463 5.432 1.00 0.00 C ATOM 778 C ARG A 53 -14.437 8.173 6.162 1.00 0.00 C ATOM 779 O ARG A 53 -13.573 7.340 6.436 1.00 0.00 O ATOM 780 CB ARG A 53 -14.012 9.207 3.925 1.00 0.00 C ATOM 781 CG ARG A 53 -13.732 10.457 3.107 1.00 0.00 C ATOM 782 CD ARG A 53 -14.041 10.240 1.634 1.00 0.00 C ATOM 783 NE ARG A 53 -14.347 11.492 0.948 1.00 0.00 N ATOM 784 CZ ARG A 53 -15.515 12.118 1.046 1.00 0.00 C ATOM 785 NH1 ARG A 53 -16.482 11.609 1.797 1.00 0.00 N ATOM 786 NH2 ARG A 53 -15.718 13.254 0.391 1.00 0.00 N ATOM 0 H ARG A 53 -11.996 9.708 5.358 1.00 0.00 H new ATOM 0 HA ARG A 53 -14.849 10.204 5.636 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -13.236 8.469 3.723 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -14.957 8.773 3.598 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -14.331 11.284 3.488 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -12.686 10.742 3.222 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -13.189 9.762 1.152 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -14.886 9.558 1.538 1.00 0.00 H new ATOM 0 HE ARG A 53 -13.624 11.909 0.361 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -16.330 10.735 2.301 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -17.378 12.091 1.871 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -14.977 13.648 -0.189 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -16.615 13.733 0.467 1.00 0.00 H new ATOM 800 N ALA A 54 -15.719 8.015 6.475 1.00 0.00 N ATOM 801 CA ALA A 54 -16.195 6.826 7.172 1.00 0.00 C ATOM 802 C ALA A 54 -16.501 5.700 6.191 1.00 0.00 C ATOM 803 O ALA A 54 -16.307 4.524 6.501 1.00 0.00 O ATOM 804 CB ALA A 54 -17.428 7.158 8.000 1.00 0.00 C ATOM 0 H ALA A 54 -16.447 8.696 6.257 1.00 0.00 H new ATOM 0 HA ALA A 54 -15.404 6.485 7.840 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -17.773 6.261 8.515 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -17.178 7.924 8.734 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -18.218 7.526 7.345 1.00 0.00 H new ATOM 810 N ASP A 55 -16.980 6.067 5.008 1.00 0.00 N ATOM 811 CA ASP A 55 -17.313 5.086 3.980 1.00 0.00 C ATOM 812 C ASP A 55 -16.153 4.122 3.753 1.00 0.00 C ATOM 813 O ASP A 55 -16.317 2.905 3.838 1.00 0.00 O ATOM 814 CB ASP A 55 -17.671 5.790 2.671 1.00 0.00 C ATOM 815 CG ASP A 55 -18.530 7.020 2.890 1.00 0.00 C ATOM 816 OD1 ASP A 55 -19.742 6.859 3.145 1.00 0.00 O ATOM 817 OD2 ASP A 55 -17.991 8.143 2.807 1.00 0.00 O ATOM 0 H ASP A 55 -17.147 7.036 4.736 1.00 0.00 H new ATOM 0 HA ASP A 55 -18.175 4.514 4.324 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -16.755 6.078 2.154 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -18.199 5.093 2.020 1.00 0.00 H new ATOM 822 N VAL A 56 -14.979 4.675 3.463 1.00 0.00 N ATOM 823 CA VAL A 56 -13.791 3.864 3.224 1.00 0.00 C ATOM 824 C VAL A 56 -13.633 2.790 4.295 1.00 0.00 C ATOM 825 O VAL A 56 -13.187 1.678 4.012 1.00 0.00 O ATOM 826 CB VAL A 56 -12.518 4.730 3.190 1.00 0.00 C ATOM 827 CG1 VAL A 56 -12.440 5.614 4.425 1.00 0.00 C ATOM 828 CG2 VAL A 56 -11.280 3.854 3.072 1.00 0.00 C ATOM 0 H VAL A 56 -14.826 5.681 3.388 1.00 0.00 H new ATOM 0 HA VAL A 56 -13.924 3.387 2.253 1.00 0.00 H new ATOM 0 HB VAL A 56 -12.563 5.376 2.313 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -11.534 6.218 4.383 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -13.311 6.268 4.460 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -12.419 4.990 5.318 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -10.390 4.483 3.049 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -11.227 3.181 3.928 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -11.334 3.269 2.154 1.00 0.00 H new ATOM 838 N ASP A 57 -14.003 3.131 5.524 1.00 0.00 N ATOM 839 CA ASP A 57 -13.904 2.195 6.639 1.00 0.00 C ATOM 840 C ASP A 57 -14.971 1.110 6.533 1.00 0.00 C ATOM 841 O ASP A 57 -14.657 -0.073 6.400 1.00 0.00 O ATOM 842 CB ASP A 57 -14.043 2.937 7.969 1.00 0.00 C ATOM 843 CG ASP A 57 -13.550 2.116 9.144 1.00 0.00 C ATOM 844 OD1 ASP A 57 -12.405 1.620 9.083 1.00 0.00 O ATOM 845 OD2 ASP A 57 -14.309 1.967 10.125 1.00 0.00 O ATOM 0 H ASP A 57 -14.374 4.048 5.774 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.924 1.720 6.598 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -13.482 3.871 7.921 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -15.089 3.201 8.127 1.00 0.00 H new ATOM 850 N LYS A 58 -16.233 1.520 6.596 1.00 0.00 N ATOM 851 CA LYS A 58 -17.347 0.584 6.507 1.00 0.00 C ATOM 852 C LYS A 58 -17.031 -0.549 5.536 1.00 0.00 C ATOM 853 O LYS A 58 -17.181 -1.725 5.870 1.00 0.00 O ATOM 854 CB LYS A 58 -18.617 1.312 6.060 1.00 0.00 C ATOM 855 CG LYS A 58 -19.834 0.408 5.963 1.00 0.00 C ATOM 856 CD LYS A 58 -21.010 1.124 5.320 1.00 0.00 C ATOM 857 CE LYS A 58 -22.338 0.582 5.827 1.00 0.00 C ATOM 858 NZ LYS A 58 -22.606 -0.792 5.320 1.00 0.00 N ATOM 0 H LYS A 58 -16.510 2.495 6.708 1.00 0.00 H new ATOM 0 HA LYS A 58 -17.509 0.156 7.497 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -18.829 2.119 6.761 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -18.439 1.773 5.088 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -19.584 -0.479 5.381 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -20.115 0.066 6.959 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -20.947 2.191 5.531 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -20.959 1.010 4.237 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -22.334 0.573 6.917 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -23.144 1.247 5.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -23.520 -1.126 5.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -22.635 -0.779 4.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -21.851 -1.433 5.637 1.00 0.00 H new ATOM 872 N ILE A 59 -16.591 -0.188 4.336 1.00 0.00 N ATOM 873 CA ILE A 59 -16.251 -1.175 3.319 1.00 0.00 C ATOM 874 C ILE A 59 -15.255 -2.197 3.856 1.00 0.00 C ATOM 875 O ILE A 59 -15.500 -3.403 3.806 1.00 0.00 O ATOM 876 CB ILE A 59 -15.658 -0.509 2.063 1.00 0.00 C ATOM 877 CG1 ILE A 59 -16.685 0.428 1.423 1.00 0.00 C ATOM 878 CG2 ILE A 59 -15.203 -1.565 1.067 1.00 0.00 C ATOM 879 CD1 ILE A 59 -16.079 1.413 0.449 1.00 0.00 C ATOM 0 H ILE A 59 -16.462 0.781 4.044 1.00 0.00 H new ATOM 0 HA ILE A 59 -17.178 -1.681 3.049 1.00 0.00 H new ATOM 0 HB ILE A 59 -14.790 0.081 2.358 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -17.436 -0.169 0.904 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -17.202 0.978 2.209 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -14.787 -1.078 0.185 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -14.442 -2.195 1.527 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -16.054 -2.180 0.774 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -16.865 2.045 0.034 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -15.349 2.035 0.967 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -15.586 0.871 -0.358 1.00 0.00 H new ATOM 891 N ILE A 60 -14.132 -1.707 4.371 1.00 0.00 N ATOM 892 CA ILE A 60 -13.101 -2.578 4.921 1.00 0.00 C ATOM 893 C ILE A 60 -13.636 -3.390 6.095 1.00 0.00 C ATOM 894 O ILE A 60 -13.189 -4.510 6.342 1.00 0.00 O ATOM 895 CB ILE A 60 -11.873 -1.772 5.386 1.00 0.00 C ATOM 896 CG1 ILE A 60 -11.166 -1.141 4.184 1.00 0.00 C ATOM 897 CG2 ILE A 60 -10.916 -2.666 6.161 1.00 0.00 C ATOM 898 CD1 ILE A 60 -10.287 0.035 4.550 1.00 0.00 C ATOM 0 H ILE A 60 -13.913 -0.712 4.419 1.00 0.00 H new ATOM 0 HA ILE A 60 -12.800 -3.255 4.121 1.00 0.00 H new ATOM 0 HB ILE A 60 -12.209 -0.973 6.047 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -10.558 -1.899 3.691 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -11.915 -0.814 3.462 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -10.053 -2.083 6.483 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -11.425 -3.073 7.034 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -10.583 -3.483 5.521 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -9.818 0.432 3.650 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -10.894 0.811 5.016 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -9.516 -0.291 5.248 1.00 0.00 H new ATOM 910 N GLN A 61 -14.596 -2.819 6.815 1.00 0.00 N ATOM 911 CA GLN A 61 -15.192 -3.491 7.963 1.00 0.00 C ATOM 912 C GLN A 61 -16.028 -4.688 7.520 1.00 0.00 C ATOM 913 O GLN A 61 -15.849 -5.799 8.017 1.00 0.00 O ATOM 914 CB GLN A 61 -16.061 -2.514 8.758 1.00 0.00 C ATOM 915 CG GLN A 61 -15.304 -1.294 9.256 1.00 0.00 C ATOM 916 CD GLN A 61 -15.951 -0.662 10.472 1.00 0.00 C ATOM 917 OE1 GLN A 61 -16.873 0.145 10.351 1.00 0.00 O ATOM 918 NE2 GLN A 61 -15.471 -1.026 11.656 1.00 0.00 N ATOM 0 H GLN A 61 -14.978 -1.893 6.624 1.00 0.00 H new ATOM 0 HA GLN A 61 -14.385 -3.851 8.601 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -16.891 -2.186 8.132 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -16.493 -3.037 9.611 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -14.281 -1.581 9.501 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -15.245 -0.556 8.456 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -14.706 -1.698 11.711 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -15.868 -0.633 12.510 1.00 0.00 H new ATOM 927 N GLU A 62 -16.939 -4.452 6.581 1.00 0.00 N ATOM 928 CA GLU A 62 -17.802 -5.511 6.072 1.00 0.00 C ATOM 929 C GLU A 62 -17.573 -5.730 4.580 1.00 0.00 C ATOM 930 O GLU A 62 -18.255 -5.156 3.730 1.00 0.00 O ATOM 931 CB GLU A 62 -19.272 -5.169 6.329 1.00 0.00 C ATOM 932 CG GLU A 62 -19.716 -5.428 7.759 1.00 0.00 C ATOM 933 CD GLU A 62 -21.204 -5.212 7.955 1.00 0.00 C ATOM 934 OE1 GLU A 62 -21.996 -6.001 7.398 1.00 0.00 O ATOM 935 OE2 GLU A 62 -21.577 -4.255 8.665 1.00 0.00 O ATOM 0 H GLU A 62 -17.098 -3.538 6.158 1.00 0.00 H new ATOM 0 HA GLU A 62 -17.553 -6.432 6.599 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -19.439 -4.119 6.090 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -19.896 -5.753 5.652 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -19.462 -6.451 8.035 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -19.165 -4.770 8.431 1.00 0.00 H new ATOM 942 N PRO A 63 -16.589 -6.580 4.251 1.00 0.00 N ATOM 943 CA PRO A 63 -16.246 -6.895 2.861 1.00 0.00 C ATOM 944 C PRO A 63 -17.325 -7.723 2.171 1.00 0.00 C ATOM 945 O PRO A 63 -18.016 -8.529 2.794 1.00 0.00 O ATOM 946 CB PRO A 63 -14.952 -7.703 2.989 1.00 0.00 C ATOM 947 CG PRO A 63 -15.012 -8.300 4.353 1.00 0.00 C ATOM 948 CD PRO A 63 -15.736 -7.300 5.211 1.00 0.00 C ATOM 0 HA PRO A 63 -16.145 -5.996 2.253 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -14.889 -8.474 2.222 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -14.075 -7.067 2.874 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -15.538 -9.255 4.338 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -14.011 -8.493 4.739 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -16.327 -7.789 5.986 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -15.043 -6.627 5.716 1.00 0.00 H new ATOM 956 N PRO A 64 -17.474 -7.521 0.854 1.00 0.00 N ATOM 957 CA PRO A 64 -18.467 -8.241 0.050 1.00 0.00 C ATOM 958 C PRO A 64 -18.119 -9.716 -0.116 1.00 0.00 C ATOM 959 O PRO A 64 -18.978 -10.587 0.027 1.00 0.00 O ATOM 960 CB PRO A 64 -18.417 -7.525 -1.302 1.00 0.00 C ATOM 961 CG PRO A 64 -17.050 -6.936 -1.367 1.00 0.00 C ATOM 962 CD PRO A 64 -16.685 -6.576 0.046 1.00 0.00 C ATOM 0 HA PRO A 64 -19.452 -8.232 0.516 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -18.589 -8.219 -2.125 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -19.184 -6.754 -1.370 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -16.338 -7.648 -1.784 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -17.035 -6.056 -2.010 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -15.616 -6.689 0.226 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -16.939 -5.541 0.275 1.00 0.00 H new ATOM 970 N HIS A 65 -16.854 -9.991 -0.418 1.00 0.00 N ATOM 971 CA HIS A 65 -16.392 -11.362 -0.602 1.00 0.00 C ATOM 972 C HIS A 65 -16.855 -12.251 0.549 1.00 0.00 C ATOM 973 O HIS A 65 -16.907 -13.474 0.421 1.00 0.00 O ATOM 974 CB HIS A 65 -14.868 -11.400 -0.709 1.00 0.00 C ATOM 975 CG HIS A 65 -14.173 -11.372 0.618 1.00 0.00 C ATOM 976 ND1 HIS A 65 -13.702 -10.213 1.197 1.00 0.00 N ATOM 977 CD2 HIS A 65 -13.873 -12.371 1.481 1.00 0.00 C ATOM 978 CE1 HIS A 65 -13.140 -10.500 2.357 1.00 0.00 C ATOM 979 NE2 HIS A 65 -13.231 -11.803 2.553 1.00 0.00 N ATOM 0 H HIS A 65 -16.131 -9.282 -0.540 1.00 0.00 H new ATOM 0 HA HIS A 65 -16.823 -11.742 -1.528 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -14.572 -12.301 -1.246 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -14.532 -10.550 -1.304 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -14.097 -13.419 1.350 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -12.684 -9.790 3.031 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -12.881 -12.306 3.369 1.00 0.00 H new