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= -0.384 K(o=-0.42,f=-17!) USER MOD Set 1.2: A 39 THR OG1 : rot 180:sc= -0.0359 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -113:sc= -1.48 USER MOD Single : A 23 CYS SG : rot -160:sc= -1.08 USER MOD Single : A 27 THR OG1 : rot -32:sc= -0.147 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 8:sc= 1.02 USER MOD Single : A 43 MET CE :methyl -164:sc= -2.31! (180deg=-4.08!) 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) USER MOD Single : A 65 HIS : no HD1:sc= -1.1 K(o=-1.1,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 120 N PRO A 11 -5.412 -10.149 -5.946 1.00 0.00 N ATOM 121 CA PRO A 11 -6.575 -9.819 -5.116 1.00 0.00 C ATOM 122 C PRO A 11 -7.695 -10.845 -5.253 1.00 0.00 C ATOM 123 O PRO A 11 -7.684 -11.672 -6.165 1.00 0.00 O ATOM 124 CB PRO A 11 -7.026 -8.461 -5.660 1.00 0.00 C ATOM 125 CG PRO A 11 -6.536 -8.435 -7.067 1.00 0.00 C ATOM 126 CD PRO A 11 -5.250 -9.214 -7.072 1.00 0.00 C ATOM 0 HA PRO A 11 -6.327 -9.808 -4.055 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -8.110 -8.357 -5.616 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -6.604 -7.641 -5.078 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.265 -8.882 -7.743 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -6.374 -7.411 -7.405 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -5.104 -9.742 -8.014 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -4.386 -8.564 -6.933 1.00 0.00 H new ATOM 134 N VAL A 12 -8.660 -10.786 -4.341 1.00 0.00 N ATOM 135 CA VAL A 12 -9.788 -11.710 -4.361 1.00 0.00 C ATOM 136 C VAL A 12 -11.083 -10.988 -4.718 1.00 0.00 C ATOM 137 O VAL A 12 -11.953 -11.547 -5.384 1.00 0.00 O ATOM 138 CB VAL A 12 -9.962 -12.412 -3.001 1.00 0.00 C ATOM 139 CG1 VAL A 12 -8.756 -13.285 -2.692 1.00 0.00 C ATOM 140 CG2 VAL A 12 -10.187 -11.389 -1.899 1.00 0.00 C ATOM 0 H VAL A 12 -8.683 -10.108 -3.579 1.00 0.00 H new ATOM 0 HA VAL A 12 -9.571 -12.459 -5.123 1.00 0.00 H new ATOM 0 HB VAL A 12 -10.841 -13.055 -3.053 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.897 -13.773 -1.727 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.646 -14.042 -3.469 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.859 -12.667 -2.658 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.308 -11.902 -0.945 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.329 -10.719 -1.844 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -11.085 -10.811 -2.117 1.00 0.00 H new ATOM 150 N ALA A 13 -11.203 -9.743 -4.269 1.00 0.00 N ATOM 151 CA ALA A 13 -12.390 -8.943 -4.544 1.00 0.00 C ATOM 152 C ALA A 13 -12.049 -7.458 -4.608 1.00 0.00 C ATOM 153 O ALA A 13 -11.137 -6.990 -3.926 1.00 0.00 O ATOM 154 CB ALA A 13 -13.453 -9.198 -3.485 1.00 0.00 C ATOM 0 H ALA A 13 -10.493 -9.267 -3.713 1.00 0.00 H new ATOM 0 HA ALA A 13 -12.782 -9.240 -5.517 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -14.335 -8.595 -3.702 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -13.726 -10.253 -3.490 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -13.061 -8.929 -2.504 1.00 0.00 H new ATOM 160 N THR A 14 -12.787 -6.722 -5.432 1.00 0.00 N ATOM 161 CA THR A 14 -12.562 -5.290 -5.587 1.00 0.00 C ATOM 162 C THR A 14 -13.881 -4.527 -5.629 1.00 0.00 C ATOM 163 O THR A 14 -14.815 -4.922 -6.326 1.00 0.00 O ATOM 164 CB THR A 14 -11.763 -4.982 -6.868 1.00 0.00 C ATOM 165 OG1 THR A 14 -10.623 -5.844 -6.953 1.00 0.00 O ATOM 166 CG2 THR A 14 -11.310 -3.530 -6.887 1.00 0.00 C ATOM 0 H THR A 14 -13.546 -7.094 -6.003 1.00 0.00 H new ATOM 0 HA THR A 14 -11.985 -4.966 -4.721 1.00 0.00 H new ATOM 0 HB THR A 14 -12.413 -5.154 -7.726 1.00 0.00 H new ATOM 0 HG1 THR A 14 -10.121 -5.643 -7.770 1.00 0.00 H new ATOM 0 HG21 THR A 14 -10.748 -3.336 -7.801 1.00 0.00 H new ATOM 0 HG22 THR A 14 -12.182 -2.876 -6.852 1.00 0.00 H new ATOM 0 HG23 THR A 14 -10.675 -3.336 -6.022 1.00 0.00 H new ATOM 174 N ALA A 15 -13.950 -3.432 -4.879 1.00 0.00 N ATOM 175 CA ALA A 15 -15.154 -2.612 -4.833 1.00 0.00 C ATOM 176 C ALA A 15 -14.807 -1.128 -4.791 1.00 0.00 C ATOM 177 O ALA A 15 -14.003 -0.677 -3.975 1.00 0.00 O ATOM 178 CB ALA A 15 -16.005 -2.991 -3.629 1.00 0.00 C ATOM 0 H ALA A 15 -13.186 -3.092 -4.295 1.00 0.00 H new ATOM 0 HA ALA A 15 -15.726 -2.799 -5.742 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.901 -2.371 -3.607 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.292 -4.040 -3.702 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -15.432 -2.834 -2.715 1.00 0.00 H new ATOM 184 N PRO A 16 -15.425 -0.350 -5.692 1.00 0.00 N ATOM 185 CA PRO A 16 -15.196 1.096 -5.778 1.00 0.00 C ATOM 186 C PRO A 16 -15.777 1.847 -4.585 1.00 0.00 C ATOM 187 O PRO A 16 -16.943 1.666 -4.234 1.00 0.00 O ATOM 188 CB PRO A 16 -15.923 1.494 -7.066 1.00 0.00 C ATOM 189 CG PRO A 16 -16.975 0.454 -7.243 1.00 0.00 C ATOM 190 CD PRO A 16 -16.395 -0.820 -6.695 1.00 0.00 C ATOM 0 HA PRO A 16 -14.134 1.341 -5.778 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -16.360 2.489 -6.983 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -15.240 1.516 -7.916 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -17.887 0.727 -6.712 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -17.240 0.342 -8.294 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -17.163 -1.451 -6.247 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -15.913 -1.410 -7.475 1.00 0.00 H new ATOM 198 N ILE A 17 -14.957 2.690 -3.966 1.00 0.00 N ATOM 199 CA ILE A 17 -15.391 3.469 -2.813 1.00 0.00 C ATOM 200 C ILE A 17 -16.307 4.612 -3.236 1.00 0.00 C ATOM 201 O ILE A 17 -16.071 5.294 -4.234 1.00 0.00 O ATOM 202 CB ILE A 17 -14.190 4.047 -2.041 1.00 0.00 C ATOM 203 CG1 ILE A 17 -13.275 2.919 -1.560 1.00 0.00 C ATOM 204 CG2 ILE A 17 -14.671 4.885 -0.865 1.00 0.00 C ATOM 205 CD1 ILE A 17 -12.405 3.307 -0.384 1.00 0.00 C ATOM 0 H ILE A 17 -13.989 2.851 -4.244 1.00 0.00 H new ATOM 0 HA ILE A 17 -15.939 2.790 -2.160 1.00 0.00 H new ATOM 0 HB ILE A 17 -13.620 4.690 -2.712 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -13.886 2.060 -1.282 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -12.637 2.603 -2.385 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -13.811 5.287 -0.329 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -15.287 5.707 -1.231 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -15.260 4.263 -0.191 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -11.783 2.459 -0.096 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -11.768 4.146 -0.664 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -13.037 3.595 0.456 1.00 0.00 H new ATOM 217 N PRO A 18 -17.378 4.830 -2.459 1.00 0.00 N ATOM 218 CA PRO A 18 -18.351 5.892 -2.731 1.00 0.00 C ATOM 219 C PRO A 18 -17.773 7.283 -2.492 1.00 0.00 C ATOM 220 O PRO A 18 -17.282 7.583 -1.405 1.00 0.00 O ATOM 221 CB PRO A 18 -19.479 5.604 -1.737 1.00 0.00 C ATOM 222 CG PRO A 18 -18.822 4.865 -0.623 1.00 0.00 C ATOM 223 CD PRO A 18 -17.722 4.056 -1.254 1.00 0.00 C ATOM 0 HA PRO A 18 -18.672 5.893 -3.773 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -19.940 6.526 -1.383 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -20.269 5.009 -2.196 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -18.422 5.555 0.120 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -19.535 4.220 -0.109 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -16.867 3.951 -0.586 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -18.057 3.049 -1.505 1.00 0.00 H new ATOM 231 N GLY A 19 -17.836 8.129 -3.516 1.00 0.00 N ATOM 232 CA GLY A 19 -17.315 9.478 -3.397 1.00 0.00 C ATOM 233 C GLY A 19 -15.891 9.597 -3.901 1.00 0.00 C ATOM 234 O GLY A 19 -15.587 10.453 -4.732 1.00 0.00 O ATOM 0 H GLY A 19 -18.239 7.904 -4.426 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -17.953 10.161 -3.957 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -17.355 9.788 -2.353 1.00 0.00 H new ATOM 238 N THR A 20 -15.012 8.736 -3.397 1.00 0.00 N ATOM 239 CA THR A 20 -13.612 8.749 -3.800 1.00 0.00 C ATOM 240 C THR A 20 -13.353 7.753 -4.924 1.00 0.00 C ATOM 241 O THR A 20 -13.986 6.701 -5.012 1.00 0.00 O ATOM 242 CB THR A 20 -12.683 8.421 -2.615 1.00 0.00 C ATOM 243 OG1 THR A 20 -12.459 7.008 -2.546 1.00 0.00 O ATOM 244 CG2 THR A 20 -13.284 8.909 -1.306 1.00 0.00 C ATOM 0 H THR A 20 -15.246 8.021 -2.709 1.00 0.00 H new ATOM 0 HA THR A 20 -13.395 9.757 -4.155 1.00 0.00 H new ATOM 0 HB THR A 20 -11.733 8.932 -2.773 1.00 0.00 H new ATOM 0 HG1 THR A 20 -12.872 6.651 -1.733 1.00 0.00 H new ATOM 0 HG21 THR A 20 -12.611 8.666 -0.484 1.00 0.00 H new ATOM 0 HG22 THR A 20 -13.427 9.989 -1.351 1.00 0.00 H new ATOM 0 HG23 THR A 20 -14.246 8.422 -1.143 1.00 0.00 H new ATOM 252 N PRO A 21 -12.400 8.089 -5.806 1.00 0.00 N ATOM 253 CA PRO A 21 -12.034 7.236 -6.941 1.00 0.00 C ATOM 254 C PRO A 21 -11.318 5.964 -6.503 1.00 0.00 C ATOM 255 O PRO A 21 -11.008 5.101 -7.324 1.00 0.00 O ATOM 256 CB PRO A 21 -11.096 8.122 -7.763 1.00 0.00 C ATOM 257 CG PRO A 21 -10.524 9.084 -6.779 1.00 0.00 C ATOM 258 CD PRO A 21 -11.604 9.328 -5.763 1.00 0.00 C ATOM 0 HA PRO A 21 -12.910 6.893 -7.492 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -10.314 7.533 -8.242 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -11.635 8.640 -8.556 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.630 8.675 -6.308 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -10.230 10.013 -7.267 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -11.189 9.505 -4.771 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -12.205 10.201 -6.017 1.00 0.00 H new ATOM 266 N TRP A 22 -11.058 5.854 -5.205 1.00 0.00 N ATOM 267 CA TRP A 22 -10.378 4.685 -4.658 1.00 0.00 C ATOM 268 C TRP A 22 -11.281 3.457 -4.706 1.00 0.00 C ATOM 269 O TRP A 22 -12.504 3.578 -4.791 1.00 0.00 O ATOM 270 CB TRP A 22 -9.938 4.953 -3.218 1.00 0.00 C ATOM 271 CG TRP A 22 -8.786 5.906 -3.117 1.00 0.00 C ATOM 272 CD1 TRP A 22 -8.854 7.258 -2.930 1.00 0.00 C ATOM 273 CD2 TRP A 22 -7.394 5.581 -3.199 1.00 0.00 C ATOM 274 NE1 TRP A 22 -7.589 7.791 -2.891 1.00 0.00 N ATOM 275 CE2 TRP A 22 -6.676 6.783 -3.052 1.00 0.00 C ATOM 276 CE3 TRP A 22 -6.685 4.390 -3.379 1.00 0.00 C ATOM 277 CZ2 TRP A 22 -5.284 6.827 -3.083 1.00 0.00 C ATOM 278 CZ3 TRP A 22 -5.305 4.435 -3.409 1.00 0.00 C ATOM 279 CH2 TRP A 22 -4.616 5.646 -3.261 1.00 0.00 C ATOM 0 H TRP A 22 -11.308 6.560 -4.512 1.00 0.00 H new ATOM 0 HA TRP A 22 -9.497 4.489 -5.270 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -10.782 5.353 -2.656 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -9.662 4.009 -2.748 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -9.768 7.824 -2.828 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -7.366 8.778 -2.763 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -7.207 3.451 -3.493 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -4.751 7.760 -2.971 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -4.747 3.521 -3.549 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -3.536 5.647 -3.288 1.00 0.00 H new ATOM 290 N CYS A 23 -10.672 2.278 -4.653 1.00 0.00 N ATOM 291 CA CYS A 23 -11.422 1.028 -4.691 1.00 0.00 C ATOM 292 C CYS A 23 -10.834 0.011 -3.719 1.00 0.00 C ATOM 293 O CYS A 23 -9.682 -0.401 -3.857 1.00 0.00 O ATOM 294 CB CYS A 23 -11.425 0.454 -6.109 1.00 0.00 C ATOM 295 SG CYS A 23 -11.878 1.649 -7.388 1.00 0.00 S ATOM 0 H CYS A 23 -9.661 2.161 -4.584 1.00 0.00 H new ATOM 0 HA CYS A 23 -12.448 1.239 -4.390 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -10.434 0.058 -6.331 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -12.120 -0.385 -6.148 1.00 0.00 H new ATOM 0 HG CYS A 23 -12.261 1.016 -8.457 1.00 0.00 H new ATOM 301 N VAL A 24 -11.632 -0.390 -2.734 1.00 0.00 N ATOM 302 CA VAL A 24 -11.190 -1.359 -1.738 1.00 0.00 C ATOM 303 C VAL A 24 -10.895 -2.710 -2.379 1.00 0.00 C ATOM 304 O VAL A 24 -11.786 -3.356 -2.930 1.00 0.00 O ATOM 305 CB VAL A 24 -12.246 -1.547 -0.632 1.00 0.00 C ATOM 306 CG1 VAL A 24 -11.769 -2.565 0.393 1.00 0.00 C ATOM 307 CG2 VAL A 24 -12.564 -0.217 0.033 1.00 0.00 C ATOM 0 H VAL A 24 -12.588 -0.059 -2.605 1.00 0.00 H new ATOM 0 HA VAL A 24 -10.276 -0.964 -1.295 1.00 0.00 H new ATOM 0 HB VAL A 24 -13.161 -1.926 -1.087 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -12.527 -2.685 1.167 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -11.597 -3.523 -0.098 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -10.840 -2.218 0.846 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -13.312 -0.369 0.811 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -11.657 0.194 0.476 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -12.952 0.479 -0.711 1.00 0.00 H new ATOM 317 N VAL A 25 -9.636 -3.132 -2.302 1.00 0.00 N ATOM 318 CA VAL A 25 -9.222 -4.408 -2.874 1.00 0.00 C ATOM 319 C VAL A 25 -8.816 -5.392 -1.783 1.00 0.00 C ATOM 320 O VAL A 25 -8.086 -5.040 -0.856 1.00 0.00 O ATOM 321 CB VAL A 25 -8.047 -4.230 -3.853 1.00 0.00 C ATOM 322 CG1 VAL A 25 -7.661 -5.564 -4.473 1.00 0.00 C ATOM 323 CG2 VAL A 25 -8.401 -3.215 -4.930 1.00 0.00 C ATOM 0 H VAL A 25 -8.886 -2.609 -1.850 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.080 -4.805 -3.417 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.188 -3.853 -3.298 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.829 -5.418 -5.162 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.364 -6.258 -3.687 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.513 -5.973 -5.015 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.560 -3.101 -5.613 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.274 -3.561 -5.484 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.624 -2.254 -4.466 1.00 0.00 H new ATOM 333 N TRP A 26 -9.292 -6.627 -1.900 1.00 0.00 N ATOM 334 CA TRP A 26 -8.977 -7.663 -0.923 1.00 0.00 C ATOM 335 C TRP A 26 -8.010 -8.687 -1.508 1.00 0.00 C ATOM 336 O TRP A 26 -7.833 -8.765 -2.724 1.00 0.00 O ATOM 337 CB TRP A 26 -10.257 -8.360 -0.458 1.00 0.00 C ATOM 338 CG TRP A 26 -11.097 -7.513 0.449 1.00 0.00 C ATOM 339 CD1 TRP A 26 -11.028 -7.454 1.812 1.00 0.00 C ATOM 340 CD2 TRP A 26 -12.135 -6.607 0.059 1.00 0.00 C ATOM 341 NE1 TRP A 26 -11.960 -6.565 2.292 1.00 0.00 N ATOM 342 CE2 TRP A 26 -12.651 -6.032 1.236 1.00 0.00 C ATOM 343 CE3 TRP A 26 -12.676 -6.224 -1.171 1.00 0.00 C ATOM 344 CZ2 TRP A 26 -13.682 -5.097 1.218 1.00 0.00 C ATOM 345 CZ3 TRP A 26 -13.700 -5.296 -1.188 1.00 0.00 C ATOM 346 CH2 TRP A 26 -14.194 -4.740 0.000 1.00 0.00 C ATOM 0 H TRP A 26 -9.897 -6.935 -2.661 1.00 0.00 H new ATOM 0 HA TRP A 26 -8.499 -7.187 -0.067 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -10.847 -8.641 -1.330 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -9.993 -9.282 0.059 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -10.342 -8.022 2.423 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -12.112 -6.339 3.275 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -12.301 -6.646 -2.092 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -14.064 -4.668 2.133 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -14.127 -4.994 -2.133 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -14.994 -4.016 -0.047 1.00 0.00 H new ATOM 357 N THR A 27 -7.386 -9.472 -0.635 1.00 0.00 N ATOM 358 CA THR A 27 -6.437 -10.490 -1.066 1.00 0.00 C ATOM 359 C THR A 27 -6.731 -11.831 -0.404 1.00 0.00 C ATOM 360 O THR A 27 -7.709 -11.971 0.329 1.00 0.00 O ATOM 361 CB THR A 27 -4.988 -10.079 -0.744 1.00 0.00 C ATOM 362 OG1 THR A 27 -4.870 -9.743 0.643 1.00 0.00 O ATOM 363 CG2 THR A 27 -4.560 -8.893 -1.596 1.00 0.00 C ATOM 0 H THR A 27 -7.521 -9.422 0.375 1.00 0.00 H new ATOM 0 HA THR A 27 -6.548 -10.589 -2.146 1.00 0.00 H new ATOM 0 HB THR A 27 -4.336 -10.923 -0.969 1.00 0.00 H new ATOM 0 HG1 THR A 27 -5.710 -9.348 0.956 1.00 0.00 H new ATOM 0 HG21 THR A 27 -3.533 -8.621 -1.351 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.622 -9.161 -2.651 1.00 0.00 H new ATOM 0 HG23 THR A 27 -5.217 -8.046 -1.397 1.00 0.00 H new ATOM 371 N GLY A 28 -5.877 -12.816 -0.666 1.00 0.00 N ATOM 372 CA GLY A 28 -6.063 -14.134 -0.087 1.00 0.00 C ATOM 373 C GLY A 28 -5.478 -14.242 1.307 1.00 0.00 C ATOM 374 O GLY A 28 -5.793 -15.173 2.049 1.00 0.00 O ATOM 0 H GLY A 28 -5.059 -12.725 -1.269 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -7.128 -14.364 -0.050 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.598 -14.880 -0.732 1.00 0.00 H new ATOM 378 N ASP A 29 -4.624 -13.290 1.664 1.00 0.00 N ATOM 379 CA ASP A 29 -3.992 -13.283 2.978 1.00 0.00 C ATOM 380 C ASP A 29 -4.793 -12.434 3.961 1.00 0.00 C ATOM 381 O ASP A 29 -4.227 -11.659 4.730 1.00 0.00 O ATOM 382 CB ASP A 29 -2.561 -12.753 2.877 1.00 0.00 C ATOM 383 CG ASP A 29 -1.657 -13.318 3.955 1.00 0.00 C ATOM 384 OD1 ASP A 29 -1.316 -14.516 3.876 1.00 0.00 O ATOM 385 OD2 ASP A 29 -1.292 -12.561 4.880 1.00 0.00 O ATOM 0 H ASP A 29 -4.353 -12.513 1.062 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.966 -14.308 3.347 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.153 -13.002 1.897 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.573 -11.666 2.950 1.00 0.00 H new ATOM 390 N GLU A 30 -6.113 -12.587 3.928 1.00 0.00 N ATOM 391 CA GLU A 30 -6.991 -11.834 4.815 1.00 0.00 C ATOM 392 C GLU A 30 -6.533 -10.382 4.930 1.00 0.00 C ATOM 393 O GLU A 30 -6.545 -9.801 6.015 1.00 0.00 O ATOM 394 CB GLU A 30 -7.028 -12.479 6.202 1.00 0.00 C ATOM 395 CG GLU A 30 -7.874 -13.740 6.264 1.00 0.00 C ATOM 396 CD GLU A 30 -7.537 -14.610 7.460 1.00 0.00 C ATOM 397 OE1 GLU A 30 -7.881 -14.219 8.594 1.00 0.00 O ATOM 398 OE2 GLU A 30 -6.929 -15.682 7.260 1.00 0.00 O ATOM 0 H GLU A 30 -6.597 -13.225 3.297 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.994 -11.849 4.389 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.010 -12.719 6.509 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.415 -11.756 6.920 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.928 -13.464 6.305 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.730 -14.315 5.349 1.00 0.00 H new ATOM 405 N ARG A 31 -6.131 -9.805 3.803 1.00 0.00 N ATOM 406 CA ARG A 31 -5.667 -8.423 3.776 1.00 0.00 C ATOM 407 C ARG A 31 -6.448 -7.607 2.750 1.00 0.00 C ATOM 408 O ARG A 31 -7.132 -8.162 1.890 1.00 0.00 O ATOM 409 CB ARG A 31 -4.172 -8.370 3.454 1.00 0.00 C ATOM 410 CG ARG A 31 -3.282 -8.421 4.685 1.00 0.00 C ATOM 411 CD ARG A 31 -3.023 -7.031 5.243 1.00 0.00 C ATOM 412 NE ARG A 31 -2.783 -7.055 6.684 1.00 0.00 N ATOM 413 CZ ARG A 31 -2.393 -5.995 7.382 1.00 0.00 C ATOM 414 NH1 ARG A 31 -2.200 -4.832 6.775 1.00 0.00 N ATOM 415 NH2 ARG A 31 -2.196 -6.096 8.690 1.00 0.00 N ATOM 0 H ARG A 31 -6.117 -10.273 2.897 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.835 -7.991 4.763 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.920 -9.204 2.799 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.960 -7.455 2.901 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.752 -9.039 5.450 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.334 -8.895 4.430 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.161 -6.593 4.739 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.878 -6.389 5.029 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.923 -7.935 7.181 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.351 -4.750 5.770 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -1.900 -4.019 7.314 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -2.344 -6.989 9.161 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.896 -5.281 9.225 1.00 0.00 H new ATOM 429 N VAL A 32 -6.342 -6.285 2.847 1.00 0.00 N ATOM 430 CA VAL A 32 -7.038 -5.393 1.928 1.00 0.00 C ATOM 431 C VAL A 32 -6.256 -4.100 1.721 1.00 0.00 C ATOM 432 O VAL A 32 -5.724 -3.525 2.670 1.00 0.00 O ATOM 433 CB VAL A 32 -8.450 -5.050 2.439 1.00 0.00 C ATOM 434 CG1 VAL A 32 -8.378 -4.403 3.814 1.00 0.00 C ATOM 435 CG2 VAL A 32 -9.168 -4.144 1.451 1.00 0.00 C ATOM 0 H VAL A 32 -5.781 -5.809 3.553 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.123 -5.920 0.978 1.00 0.00 H new ATOM 0 HB VAL A 32 -9.020 -5.975 2.529 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.385 -4.168 4.159 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.906 -5.091 4.515 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.791 -3.486 3.754 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -10.164 -3.912 1.828 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.602 -3.220 1.327 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.253 -4.650 0.489 1.00 0.00 H new ATOM 445 N PHE A 33 -6.192 -3.648 0.473 1.00 0.00 N ATOM 446 CA PHE A 33 -5.475 -2.423 0.139 1.00 0.00 C ATOM 447 C PHE A 33 -6.335 -1.508 -0.728 1.00 0.00 C ATOM 448 O PHE A 33 -7.414 -1.895 -1.179 1.00 0.00 O ATOM 449 CB PHE A 33 -4.169 -2.752 -0.586 1.00 0.00 C ATOM 450 CG PHE A 33 -4.373 -3.447 -1.902 1.00 0.00 C ATOM 451 CD1 PHE A 33 -4.522 -2.716 -3.070 1.00 0.00 C ATOM 452 CD2 PHE A 33 -4.414 -4.830 -1.971 1.00 0.00 C ATOM 453 CE1 PHE A 33 -4.710 -3.353 -4.282 1.00 0.00 C ATOM 454 CE2 PHE A 33 -4.602 -5.472 -3.181 1.00 0.00 C ATOM 455 CZ PHE A 33 -4.749 -4.732 -4.338 1.00 0.00 C ATOM 0 H PHE A 33 -6.628 -4.112 -0.324 1.00 0.00 H new ATOM 0 HA PHE A 33 -5.245 -1.902 1.068 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.613 -1.829 -0.754 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.554 -3.382 0.057 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -4.491 -1.637 -3.033 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -4.298 -5.413 -1.069 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.826 -2.772 -5.185 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -4.634 -6.551 -3.221 1.00 0.00 H new ATOM 0 HZ PHE A 33 -4.894 -5.231 -5.285 1.00 0.00 H new ATOM 465 N PHE A 34 -5.850 -0.293 -0.958 1.00 0.00 N ATOM 466 CA PHE A 34 -6.574 0.678 -1.770 1.00 0.00 C ATOM 467 C PHE A 34 -5.929 0.826 -3.145 1.00 0.00 C ATOM 468 O PHE A 34 -4.708 0.940 -3.262 1.00 0.00 O ATOM 469 CB PHE A 34 -6.614 2.036 -1.065 1.00 0.00 C ATOM 470 CG PHE A 34 -6.947 1.942 0.397 1.00 0.00 C ATOM 471 CD1 PHE A 34 -5.968 1.624 1.324 1.00 0.00 C ATOM 472 CD2 PHE A 34 -8.238 2.172 0.843 1.00 0.00 C ATOM 473 CE1 PHE A 34 -6.271 1.537 2.670 1.00 0.00 C ATOM 474 CE2 PHE A 34 -8.548 2.087 2.187 1.00 0.00 C ATOM 475 CZ PHE A 34 -7.562 1.769 3.102 1.00 0.00 C ATOM 0 H PHE A 34 -4.959 0.043 -0.594 1.00 0.00 H new ATOM 0 HA PHE A 34 -7.593 0.315 -1.903 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -5.646 2.524 -1.178 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -7.351 2.671 -1.557 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -4.957 1.442 0.991 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -9.012 2.421 0.132 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.499 1.288 3.383 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -9.559 2.269 2.522 1.00 0.00 H new ATOM 0 HZ PHE A 34 -7.801 1.702 4.153 1.00 0.00 H new ATOM 485 N TYR A 35 -6.757 0.822 -4.184 1.00 0.00 N ATOM 486 CA TYR A 35 -6.269 0.953 -5.552 1.00 0.00 C ATOM 487 C TYR A 35 -7.020 2.052 -6.296 1.00 0.00 C ATOM 488 O TYR A 35 -8.245 2.134 -6.233 1.00 0.00 O ATOM 489 CB TYR A 35 -6.416 -0.375 -6.297 1.00 0.00 C ATOM 490 CG TYR A 35 -6.280 -0.246 -7.797 1.00 0.00 C ATOM 491 CD1 TYR A 35 -5.044 -0.003 -8.384 1.00 0.00 C ATOM 492 CD2 TYR A 35 -7.387 -0.366 -8.628 1.00 0.00 C ATOM 493 CE1 TYR A 35 -4.916 0.117 -9.754 1.00 0.00 C ATOM 494 CE2 TYR A 35 -7.268 -0.249 -9.999 1.00 0.00 C ATOM 495 CZ TYR A 35 -6.030 -0.007 -10.557 1.00 0.00 C ATOM 496 OH TYR A 35 -5.907 0.111 -11.923 1.00 0.00 O ATOM 0 H TYR A 35 -7.770 0.729 -4.105 1.00 0.00 H new ATOM 0 HA TYR A 35 -5.214 1.224 -5.510 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.663 -1.073 -5.931 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -7.390 -0.806 -6.065 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -4.169 0.094 -7.758 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -8.358 -0.554 -8.194 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -3.948 0.307 -10.194 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.139 -0.346 -10.630 1.00 0.00 H new ATOM 0 HH TYR A 35 -6.786 -0.003 -12.342 1.00 0.00 H new ATOM 506 N ASN A 36 -6.273 2.896 -7.001 1.00 0.00 N ATOM 507 CA ASN A 36 -6.867 3.992 -7.759 1.00 0.00 C ATOM 508 C ASN A 36 -6.794 3.719 -9.258 1.00 0.00 C ATOM 509 O ASN A 36 -5.763 3.918 -9.901 1.00 0.00 O ATOM 510 CB ASN A 36 -6.158 5.308 -7.433 1.00 0.00 C ATOM 511 CG ASN A 36 -6.892 6.513 -7.989 1.00 0.00 C ATOM 512 OD1 ASN A 36 -7.159 6.592 -9.188 1.00 0.00 O ATOM 513 ND2 ASN A 36 -7.220 7.459 -7.117 1.00 0.00 N ATOM 0 H ASN A 36 -5.256 2.842 -7.063 1.00 0.00 H new ATOM 0 HA ASN A 36 -7.916 4.072 -7.473 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.065 5.409 -6.352 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.147 5.283 -7.839 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -7.714 8.294 -7.432 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.978 7.351 -6.132 1.00 0.00 H new ATOM 520 N PRO A 37 -7.914 3.253 -9.830 1.00 0.00 N ATOM 521 CA PRO A 37 -8.004 2.944 -11.260 1.00 0.00 C ATOM 522 C PRO A 37 -7.965 4.198 -12.128 1.00 0.00 C ATOM 523 O PRO A 37 -7.966 4.116 -13.356 1.00 0.00 O ATOM 524 CB PRO A 37 -9.360 2.246 -11.388 1.00 0.00 C ATOM 525 CG PRO A 37 -10.160 2.760 -10.241 1.00 0.00 C ATOM 526 CD PRO A 37 -9.181 2.993 -9.125 1.00 0.00 C ATOM 0 HA PRO A 37 -7.164 2.338 -11.600 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.837 2.479 -12.340 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.253 1.162 -11.342 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -10.675 3.683 -10.507 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -10.925 2.042 -9.946 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -9.475 3.838 -8.503 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -9.105 2.125 -8.469 1.00 0.00 H new ATOM 534 N THR A 38 -7.931 5.359 -11.481 1.00 0.00 N ATOM 535 CA THR A 38 -7.893 6.630 -12.193 1.00 0.00 C ATOM 536 C THR A 38 -6.460 7.118 -12.370 1.00 0.00 C ATOM 537 O THR A 38 -6.127 7.748 -13.375 1.00 0.00 O ATOM 538 CB THR A 38 -8.705 7.711 -11.456 1.00 0.00 C ATOM 539 OG1 THR A 38 -9.981 7.189 -11.070 1.00 0.00 O ATOM 540 CG2 THR A 38 -8.898 8.937 -12.336 1.00 0.00 C ATOM 0 H THR A 38 -7.929 5.445 -10.465 1.00 0.00 H new ATOM 0 HA THR A 38 -8.338 6.457 -13.173 1.00 0.00 H new ATOM 0 HB THR A 38 -8.150 8.006 -10.565 1.00 0.00 H new ATOM 0 HG1 THR A 38 -10.490 7.883 -10.601 1.00 0.00 H new ATOM 0 HG21 THR A 38 -9.474 9.687 -11.794 1.00 0.00 H new ATOM 0 HG22 THR A 38 -7.925 9.350 -12.603 1.00 0.00 H new ATOM 0 HG23 THR A 38 -9.433 8.654 -13.242 1.00 0.00 H new ATOM 548 N THR A 39 -5.614 6.823 -11.388 1.00 0.00 N ATOM 549 CA THR A 39 -4.216 7.233 -11.436 1.00 0.00 C ATOM 550 C THR A 39 -3.287 6.026 -11.366 1.00 0.00 C ATOM 551 O THR A 39 -2.081 6.171 -11.164 1.00 0.00 O ATOM 552 CB THR A 39 -3.874 8.197 -10.284 1.00 0.00 C ATOM 553 OG1 THR A 39 -4.026 7.532 -9.026 1.00 0.00 O ATOM 554 CG2 THR A 39 -4.768 9.427 -10.325 1.00 0.00 C ATOM 0 H THR A 39 -5.872 6.302 -10.550 1.00 0.00 H new ATOM 0 HA THR A 39 -4.069 7.747 -12.386 1.00 0.00 H new ATOM 0 HB THR A 39 -2.838 8.516 -10.402 1.00 0.00 H new ATOM 0 HG1 THR A 39 -3.805 8.152 -8.300 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.508 10.093 -9.502 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.627 9.948 -11.272 1.00 0.00 H new ATOM 0 HG23 THR A 39 -5.810 9.123 -10.230 1.00 0.00 H new ATOM 562 N ARG A 40 -3.855 4.837 -11.534 1.00 0.00 N ATOM 563 CA ARG A 40 -3.077 3.605 -11.489 1.00 0.00 C ATOM 564 C ARG A 40 -2.166 3.582 -10.266 1.00 0.00 C ATOM 565 O ARG A 40 -1.036 3.094 -10.329 1.00 0.00 O ATOM 566 CB ARG A 40 -2.242 3.458 -12.763 1.00 0.00 C ATOM 567 CG ARG A 40 -3.050 3.608 -14.042 1.00 0.00 C ATOM 568 CD ARG A 40 -2.204 3.323 -15.272 1.00 0.00 C ATOM 569 NE ARG A 40 -1.630 1.981 -15.243 1.00 0.00 N ATOM 570 CZ ARG A 40 -0.493 1.681 -14.625 1.00 0.00 C ATOM 571 NH1 ARG A 40 0.188 2.624 -13.988 1.00 0.00 N ATOM 572 NH2 ARG A 40 -0.035 0.436 -14.642 1.00 0.00 N ATOM 0 H ARG A 40 -4.852 4.700 -11.703 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.772 2.768 -11.419 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.448 4.205 -12.755 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.760 2.480 -12.760 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.901 2.927 -14.018 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.453 4.619 -14.103 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.816 3.436 -16.167 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.402 4.059 -15.339 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.129 1.233 -15.724 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.161 3.582 -13.972 1.00 0.00 H new ATOM 0 HH12 ARG A 40 1.061 2.391 -13.514 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.556 -0.292 -15.130 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.838 0.207 -14.167 1.00 0.00 H new ATOM 586 N LEU A 41 -2.663 4.112 -9.154 1.00 0.00 N ATOM 587 CA LEU A 41 -1.894 4.152 -7.915 1.00 0.00 C ATOM 588 C LEU A 41 -2.339 3.048 -6.962 1.00 0.00 C ATOM 589 O LEU A 41 -3.528 2.896 -6.682 1.00 0.00 O ATOM 590 CB LEU A 41 -2.049 5.516 -7.240 1.00 0.00 C ATOM 591 CG LEU A 41 -0.944 5.908 -6.258 1.00 0.00 C ATOM 592 CD1 LEU A 41 -0.957 4.991 -5.046 1.00 0.00 C ATOM 593 CD2 LEU A 41 0.415 5.873 -6.942 1.00 0.00 C ATOM 0 H LEU A 41 -3.595 4.520 -9.085 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.845 3.992 -8.162 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.105 6.279 -8.016 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.001 5.530 -6.709 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.131 6.927 -5.919 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.164 5.285 -4.359 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.921 5.067 -4.542 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.796 3.962 -5.367 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.189 6.155 -6.228 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.611 4.866 -7.311 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.420 6.573 -7.778 1.00 0.00 H new ATOM 605 N SER A 42 -1.375 2.279 -6.464 1.00 0.00 N ATOM 606 CA SER A 42 -1.667 1.187 -5.543 1.00 0.00 C ATOM 607 C SER A 42 -0.780 1.270 -4.304 1.00 0.00 C ATOM 608 O SER A 42 0.440 1.133 -4.391 1.00 0.00 O ATOM 609 CB SER A 42 -1.469 -0.161 -6.237 1.00 0.00 C ATOM 610 OG SER A 42 -0.092 -0.464 -6.378 1.00 0.00 O ATOM 0 H SER A 42 -0.385 2.392 -6.683 1.00 0.00 H new ATOM 0 HA SER A 42 -2.707 1.276 -5.231 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.960 -0.946 -5.661 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.943 -0.141 -7.218 1.00 0.00 H new ATOM 0 HG SER A 42 0.440 0.195 -5.885 1.00 0.00 H new ATOM 616 N MET A 43 -1.403 1.494 -3.152 1.00 0.00 N ATOM 617 CA MET A 43 -0.672 1.593 -1.894 1.00 0.00 C ATOM 618 C MET A 43 -1.017 0.429 -0.970 1.00 0.00 C ATOM 619 O MET A 43 -1.942 -0.336 -1.241 1.00 0.00 O ATOM 620 CB MET A 43 -0.984 2.920 -1.201 1.00 0.00 C ATOM 621 CG MET A 43 -1.035 4.105 -2.151 1.00 0.00 C ATOM 622 SD MET A 43 -0.549 5.651 -1.360 1.00 0.00 S ATOM 623 CE MET A 43 -1.191 5.402 0.293 1.00 0.00 C ATOM 0 H MET A 43 -2.412 1.610 -3.063 1.00 0.00 H new ATOM 0 HA MET A 43 0.394 1.551 -2.118 1.00 0.00 H new ATOM 0 HB2 MET A 43 -1.941 2.836 -0.687 1.00 0.00 H new ATOM 0 HB3 MET A 43 -0.228 3.109 -0.438 1.00 0.00 H new ATOM 0 HG2 MET A 43 -0.379 3.914 -3.000 1.00 0.00 H new ATOM 0 HG3 MET A 43 -2.046 4.206 -2.546 1.00 0.00 H new ATOM 0 HE1 MET A 43 -1.228 6.357 0.817 1.00 0.00 H new ATOM 0 HE2 MET A 43 -2.195 4.981 0.234 1.00 0.00 H new ATOM 0 HE3 MET A 43 -0.541 4.716 0.836 1.00 0.00 H new ATOM 633 N TRP A 44 -0.269 0.303 0.119 1.00 0.00 N ATOM 634 CA TRP A 44 -0.497 -0.768 1.083 1.00 0.00 C ATOM 635 C TRP A 44 -1.133 -0.227 2.358 1.00 0.00 C ATOM 636 O TRP A 44 -1.534 -0.992 3.236 1.00 0.00 O ATOM 637 CB TRP A 44 0.820 -1.473 1.414 1.00 0.00 C ATOM 638 CG TRP A 44 1.115 -2.634 0.513 1.00 0.00 C ATOM 639 CD1 TRP A 44 2.153 -2.744 -0.368 1.00 0.00 C ATOM 640 CD2 TRP A 44 0.364 -3.847 0.405 1.00 0.00 C ATOM 641 NE1 TRP A 44 2.091 -3.953 -1.018 1.00 0.00 N ATOM 642 CE2 TRP A 44 1.003 -4.649 -0.561 1.00 0.00 C ATOM 643 CE3 TRP A 44 -0.786 -4.336 1.031 1.00 0.00 C ATOM 644 CZ2 TRP A 44 0.529 -5.909 -0.914 1.00 0.00 C ATOM 645 CZ3 TRP A 44 -1.256 -5.587 0.679 1.00 0.00 C ATOM 646 CH2 TRP A 44 -0.599 -6.363 -0.285 1.00 0.00 C ATOM 0 H TRP A 44 0.501 0.928 0.357 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.183 -1.487 0.635 1.00 0.00 H new ATOM 0 HB2 TRP A 44 1.636 -0.753 1.347 1.00 0.00 H new ATOM 0 HB3 TRP A 44 0.788 -1.822 2.446 1.00 0.00 H new ATOM 0 HD1 TRP A 44 2.911 -1.992 -0.530 1.00 0.00 H new ATOM 0 HE1 TRP A 44 2.749 -4.279 -1.726 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -1.298 -3.746 1.777 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 1.033 -6.508 -1.658 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -2.145 -5.973 1.155 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.990 -7.338 -0.537 1.00 0.00 H new ATOM 657 N ASP A 45 -1.222 1.095 2.455 1.00 0.00 N ATOM 658 CA ASP A 45 -1.811 1.738 3.623 1.00 0.00 C ATOM 659 C ASP A 45 -2.964 2.651 3.218 1.00 0.00 C ATOM 660 O ASP A 45 -3.348 2.701 2.049 1.00 0.00 O ATOM 661 CB ASP A 45 -0.751 2.540 4.380 1.00 0.00 C ATOM 662 CG ASP A 45 0.107 1.666 5.274 1.00 0.00 C ATOM 663 OD1 ASP A 45 -0.412 1.175 6.299 1.00 0.00 O ATOM 664 OD2 ASP A 45 1.297 1.472 4.948 1.00 0.00 O ATOM 0 H ASP A 45 -0.893 1.742 1.738 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.201 0.958 4.277 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -0.113 3.060 3.665 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -1.240 3.304 4.985 1.00 0.00 H new ATOM 669 N ARG A 46 -3.513 3.371 4.191 1.00 0.00 N ATOM 670 CA ARG A 46 -4.623 4.281 3.936 1.00 0.00 C ATOM 671 C ARG A 46 -4.114 5.684 3.619 1.00 0.00 C ATOM 672 O ARG A 46 -3.617 6.402 4.487 1.00 0.00 O ATOM 673 CB ARG A 46 -5.560 4.327 5.144 1.00 0.00 C ATOM 674 CG ARG A 46 -7.002 4.647 4.784 1.00 0.00 C ATOM 675 CD ARG A 46 -7.270 6.143 4.834 1.00 0.00 C ATOM 676 NE ARG A 46 -7.640 6.588 6.175 1.00 0.00 N ATOM 677 CZ ARG A 46 -8.880 6.541 6.649 1.00 0.00 C ATOM 678 NH1 ARG A 46 -9.864 6.070 5.895 1.00 0.00 N ATOM 679 NH2 ARG A 46 -9.138 6.965 7.880 1.00 0.00 N ATOM 0 H ARG A 46 -3.207 3.342 5.164 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.174 3.910 3.072 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -5.527 3.365 5.656 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.195 5.075 5.848 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.221 4.270 3.785 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -7.673 4.133 5.472 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.381 6.682 4.506 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -8.069 6.392 4.136 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.906 6.955 6.781 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -9.670 5.743 4.949 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -10.815 6.035 6.261 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.384 7.327 8.463 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.091 6.928 8.243 1.00 0.00 H new ATOM 693 N PRO A 47 -4.240 6.086 2.345 1.00 0.00 N ATOM 694 CA PRO A 47 -3.799 7.406 1.884 1.00 0.00 C ATOM 695 C PRO A 47 -4.672 8.531 2.428 1.00 0.00 C ATOM 696 O PRO A 47 -5.834 8.317 2.771 1.00 0.00 O ATOM 697 CB PRO A 47 -3.933 7.313 0.362 1.00 0.00 C ATOM 698 CG PRO A 47 -4.976 6.274 0.137 1.00 0.00 C ATOM 699 CD PRO A 47 -4.823 5.283 1.257 1.00 0.00 C ATOM 0 HA PRO A 47 -2.790 7.640 2.223 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -4.228 8.270 -0.069 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -2.988 7.032 -0.102 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.973 6.715 0.140 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -4.844 5.792 -0.831 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.781 4.851 1.545 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -4.172 4.455 0.975 1.00 0.00 H new ATOM 707 N ASP A 48 -4.104 9.730 2.504 1.00 0.00 N ATOM 708 CA ASP A 48 -4.831 10.890 3.005 1.00 0.00 C ATOM 709 C ASP A 48 -6.110 11.117 2.205 1.00 0.00 C ATOM 710 O ASP A 48 -7.165 11.405 2.770 1.00 0.00 O ATOM 711 CB ASP A 48 -3.949 12.138 2.944 1.00 0.00 C ATOM 712 CG ASP A 48 -3.162 12.353 4.222 1.00 0.00 C ATOM 713 OD1 ASP A 48 -3.718 12.947 5.169 1.00 0.00 O ATOM 714 OD2 ASP A 48 -1.989 11.927 4.275 1.00 0.00 O ATOM 0 H ASP A 48 -3.142 9.923 2.225 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.102 10.697 4.043 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.258 12.051 2.105 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -4.573 13.011 2.753 1.00 0.00 H new ATOM 719 N ASP A 49 -6.008 10.986 0.887 1.00 0.00 N ATOM 720 CA ASP A 49 -7.156 11.177 0.008 1.00 0.00 C ATOM 721 C ASP A 49 -8.414 10.565 0.617 1.00 0.00 C ATOM 722 O ASP A 49 -9.532 10.982 0.310 1.00 0.00 O ATOM 723 CB ASP A 49 -6.885 10.556 -1.363 1.00 0.00 C ATOM 724 CG ASP A 49 -5.841 11.323 -2.150 1.00 0.00 C ATOM 725 OD1 ASP A 49 -5.967 12.562 -2.253 1.00 0.00 O ATOM 726 OD2 ASP A 49 -4.897 10.686 -2.662 1.00 0.00 O ATOM 0 H ASP A 49 -5.142 10.748 0.404 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.316 12.248 -0.112 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.553 9.526 -1.233 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -7.813 10.522 -1.933 1.00 0.00 H new ATOM 731 N LEU A 50 -8.225 9.575 1.482 1.00 0.00 N ATOM 732 CA LEU A 50 -9.344 8.905 2.134 1.00 0.00 C ATOM 733 C LEU A 50 -9.411 9.270 3.614 1.00 0.00 C ATOM 734 O LEU A 50 -10.493 9.361 4.193 1.00 0.00 O ATOM 735 CB LEU A 50 -9.219 7.388 1.977 1.00 0.00 C ATOM 736 CG LEU A 50 -9.427 6.841 0.564 1.00 0.00 C ATOM 737 CD1 LEU A 50 -9.137 5.348 0.522 1.00 0.00 C ATOM 738 CD2 LEU A 50 -10.843 7.125 0.085 1.00 0.00 C ATOM 0 H LEU A 50 -7.307 9.218 1.748 1.00 0.00 H new ATOM 0 HA LEU A 50 -10.264 9.239 1.654 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.229 7.088 2.319 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.943 6.913 2.639 1.00 0.00 H new ATOM 0 HG LEU A 50 -8.731 7.345 -0.106 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -9.290 4.976 -0.491 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.104 5.169 0.822 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -9.808 4.828 1.205 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -10.973 6.729 -0.922 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -11.557 6.649 0.757 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -11.015 8.201 0.076 1.00 0.00 H new ATOM 750 N ILE A 51 -8.246 9.478 4.219 1.00 0.00 N ATOM 751 CA ILE A 51 -8.172 9.837 5.630 1.00 0.00 C ATOM 752 C ILE A 51 -9.242 10.862 5.993 1.00 0.00 C ATOM 753 O ILE A 51 -9.187 12.012 5.560 1.00 0.00 O ATOM 754 CB ILE A 51 -6.788 10.405 5.995 1.00 0.00 C ATOM 755 CG1 ILE A 51 -5.721 9.314 5.888 1.00 0.00 C ATOM 756 CG2 ILE A 51 -6.811 10.995 7.397 1.00 0.00 C ATOM 757 CD1 ILE A 51 -4.315 9.818 6.125 1.00 0.00 C ATOM 0 H ILE A 51 -7.341 9.404 3.754 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.341 8.922 6.198 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.540 11.200 5.291 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.943 8.528 6.610 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.774 8.861 4.898 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -5.826 11.392 7.641 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.547 11.797 7.442 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.076 10.218 8.114 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.612 8.990 6.033 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.073 10.583 5.387 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.245 10.244 7.126 1.00 0.00 H new ATOM 769 N GLY A 52 -10.214 10.436 6.794 1.00 0.00 N ATOM 770 CA GLY A 52 -11.281 11.329 7.205 1.00 0.00 C ATOM 771 C GLY A 52 -12.654 10.797 6.842 1.00 0.00 C ATOM 772 O GLY A 52 -13.642 11.104 7.509 1.00 0.00 O ATOM 0 H GLY A 52 -10.281 9.488 7.165 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.227 11.482 8.283 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.136 12.303 6.737 1.00 0.00 H new ATOM 776 N ARG A 53 -12.716 9.999 5.782 1.00 0.00 N ATOM 777 CA ARG A 53 -13.978 9.425 5.330 1.00 0.00 C ATOM 778 C ARG A 53 -14.287 8.133 6.080 1.00 0.00 C ATOM 779 O ARG A 53 -13.394 7.329 6.346 1.00 0.00 O ATOM 780 CB ARG A 53 -13.931 9.156 3.825 1.00 0.00 C ATOM 781 CG ARG A 53 -13.745 10.410 2.987 1.00 0.00 C ATOM 782 CD ARG A 53 -14.048 10.149 1.520 1.00 0.00 C ATOM 783 NE ARG A 53 -14.469 11.363 0.824 1.00 0.00 N ATOM 784 CZ ARG A 53 -13.633 12.326 0.455 1.00 0.00 C ATOM 785 NH1 ARG A 53 -12.337 12.218 0.713 1.00 0.00 N ATOM 786 NH2 ARG A 53 -14.092 13.400 -0.175 1.00 0.00 N ATOM 0 H ARG A 53 -11.907 9.735 5.220 1.00 0.00 H new ATOM 0 HA ARG A 53 -14.770 10.144 5.538 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -13.116 8.464 3.614 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -14.855 8.662 3.524 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -14.399 11.199 3.360 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -12.721 10.769 3.090 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -13.162 9.741 1.034 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -14.831 9.395 1.440 1.00 0.00 H new ATOM 0 HE ARG A 53 -15.460 11.477 0.610 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -11.980 11.394 1.196 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -11.697 12.959 0.428 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -15.088 13.486 -0.376 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -13.449 14.139 -0.458 1.00 0.00 H new ATOM 800 N ALA A 54 -15.558 7.941 6.418 1.00 0.00 N ATOM 801 CA ALA A 54 -15.985 6.746 7.135 1.00 0.00 C ATOM 802 C ALA A 54 -16.319 5.615 6.168 1.00 0.00 C ATOM 803 O ALA A 54 -16.010 4.452 6.428 1.00 0.00 O ATOM 804 CB ALA A 54 -17.185 7.060 8.017 1.00 0.00 C ATOM 0 H ALA A 54 -16.309 8.598 6.207 1.00 0.00 H new ATOM 0 HA ALA A 54 -15.160 6.417 7.766 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -17.493 6.158 8.547 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -16.914 7.830 8.739 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -18.008 7.416 7.398 1.00 0.00 H new ATOM 810 N ASP A 55 -16.952 5.963 5.053 1.00 0.00 N ATOM 811 CA ASP A 55 -17.327 4.977 4.047 1.00 0.00 C ATOM 812 C ASP A 55 -16.164 4.036 3.747 1.00 0.00 C ATOM 813 O ASP A 55 -16.317 2.815 3.774 1.00 0.00 O ATOM 814 CB ASP A 55 -17.780 5.673 2.763 1.00 0.00 C ATOM 815 CG ASP A 55 -19.022 6.518 2.970 1.00 0.00 C ATOM 816 OD1 ASP A 55 -19.153 7.126 4.053 1.00 0.00 O ATOM 817 OD2 ASP A 55 -19.863 6.571 2.048 1.00 0.00 O ATOM 0 H ASP A 55 -17.216 6.921 4.823 1.00 0.00 H new ATOM 0 HA ASP A 55 -18.154 4.388 4.443 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -16.973 6.304 2.391 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -17.978 4.923 1.997 1.00 0.00 H new ATOM 822 N VAL A 56 -15.001 4.614 3.461 1.00 0.00 N ATOM 823 CA VAL A 56 -13.812 3.828 3.156 1.00 0.00 C ATOM 824 C VAL A 56 -13.577 2.754 4.213 1.00 0.00 C ATOM 825 O VAL A 56 -13.238 1.615 3.891 1.00 0.00 O ATOM 826 CB VAL A 56 -12.560 4.719 3.059 1.00 0.00 C ATOM 827 CG1 VAL A 56 -12.442 5.611 4.286 1.00 0.00 C ATOM 828 CG2 VAL A 56 -11.311 3.867 2.887 1.00 0.00 C ATOM 0 H VAL A 56 -14.858 5.624 3.434 1.00 0.00 H new ATOM 0 HA VAL A 56 -13.986 3.352 2.191 1.00 0.00 H new ATOM 0 HB VAL A 56 -12.659 5.359 2.182 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -11.551 6.233 4.199 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -13.324 6.248 4.359 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -12.366 4.992 5.180 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -10.436 4.513 2.820 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -11.205 3.200 3.743 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -11.396 3.276 1.975 1.00 0.00 H new ATOM 838 N ASP A 57 -13.760 3.125 5.476 1.00 0.00 N ATOM 839 CA ASP A 57 -13.569 2.193 6.581 1.00 0.00 C ATOM 840 C ASP A 57 -14.665 1.131 6.592 1.00 0.00 C ATOM 841 O ASP A 57 -14.384 -0.067 6.553 1.00 0.00 O ATOM 842 CB ASP A 57 -13.557 2.944 7.913 1.00 0.00 C ATOM 843 CG ASP A 57 -12.926 2.134 9.029 1.00 0.00 C ATOM 844 OD1 ASP A 57 -13.648 1.338 9.665 1.00 0.00 O ATOM 845 OD2 ASP A 57 -11.711 2.296 9.265 1.00 0.00 O ATOM 0 H ASP A 57 -14.040 4.064 5.759 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.608 1.697 6.443 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -13.011 3.880 7.794 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -14.579 3.204 8.190 1.00 0.00 H new ATOM 850 N LYS A 58 -15.914 1.579 6.646 1.00 0.00 N ATOM 851 CA LYS A 58 -17.054 0.669 6.662 1.00 0.00 C ATOM 852 C LYS A 58 -16.857 -0.466 5.662 1.00 0.00 C ATOM 853 O LYS A 58 -16.921 -1.642 6.023 1.00 0.00 O ATOM 854 CB LYS A 58 -18.343 1.428 6.342 1.00 0.00 C ATOM 855 CG LYS A 58 -19.551 0.525 6.159 1.00 0.00 C ATOM 856 CD LYS A 58 -20.726 1.279 5.560 1.00 0.00 C ATOM 857 CE LYS A 58 -22.015 0.480 5.669 1.00 0.00 C ATOM 858 NZ LYS A 58 -22.140 -0.524 4.577 1.00 0.00 N ATOM 0 H LYS A 58 -16.163 2.567 6.679 1.00 0.00 H new ATOM 0 HA LYS A 58 -17.132 0.240 7.661 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -18.547 2.136 7.146 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -18.195 2.012 5.433 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -19.286 -0.311 5.512 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -19.841 0.104 7.122 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -20.845 2.235 6.071 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -20.522 1.501 4.513 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -22.047 -0.027 6.633 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -22.867 1.159 5.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -23.032 -1.048 4.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -22.135 -0.039 3.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -21.341 -1.188 4.623 1.00 0.00 H new ATOM 872 N ILE A 59 -16.618 -0.106 4.405 1.00 0.00 N ATOM 873 CA ILE A 59 -16.410 -1.095 3.355 1.00 0.00 C ATOM 874 C ILE A 59 -15.382 -2.139 3.778 1.00 0.00 C ATOM 875 O ILE A 59 -15.626 -3.341 3.674 1.00 0.00 O ATOM 876 CB ILE A 59 -15.943 -0.434 2.044 1.00 0.00 C ATOM 877 CG1 ILE A 59 -17.001 0.551 1.539 1.00 0.00 C ATOM 878 CG2 ILE A 59 -15.652 -1.493 0.991 1.00 0.00 C ATOM 879 CD1 ILE A 59 -16.509 1.447 0.424 1.00 0.00 C ATOM 0 H ILE A 59 -16.564 0.862 4.090 1.00 0.00 H new ATOM 0 HA ILE A 59 -17.370 -1.582 3.186 1.00 0.00 H new ATOM 0 HB ILE A 59 -15.024 0.118 2.240 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -17.869 -0.008 1.189 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -17.336 1.170 2.371 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -15.323 -1.010 0.071 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -14.868 -2.159 1.352 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -16.556 -2.070 0.795 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -17.311 2.118 0.116 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -15.660 2.033 0.776 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -16.201 0.836 -0.425 1.00 0.00 H new ATOM 891 N ILE A 60 -14.234 -1.671 4.257 1.00 0.00 N ATOM 892 CA ILE A 60 -13.171 -2.565 4.699 1.00 0.00 C ATOM 893 C ILE A 60 -13.641 -3.453 5.845 1.00 0.00 C ATOM 894 O ILE A 60 -13.284 -4.629 5.918 1.00 0.00 O ATOM 895 CB ILE A 60 -11.926 -1.778 5.150 1.00 0.00 C ATOM 896 CG1 ILE A 60 -11.266 -1.094 3.951 1.00 0.00 C ATOM 897 CG2 ILE A 60 -10.940 -2.703 5.848 1.00 0.00 C ATOM 898 CD1 ILE A 60 -10.305 0.009 4.339 1.00 0.00 C ATOM 0 H ILE A 60 -14.017 -0.679 4.349 1.00 0.00 H new ATOM 0 HA ILE A 60 -12.907 -3.189 3.845 1.00 0.00 H new ATOM 0 HB ILE A 60 -12.236 -1.009 5.857 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -10.731 -1.842 3.365 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -12.042 -0.680 3.307 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -10.065 -2.133 6.161 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -11.415 -3.148 6.722 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -10.632 -3.492 5.161 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -9.874 0.449 3.440 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -10.839 0.777 4.899 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -9.508 -0.404 4.958 1.00 0.00 H new ATOM 910 N GLN A 61 -14.444 -2.883 6.738 1.00 0.00 N ATOM 911 CA GLN A 61 -14.964 -3.624 7.881 1.00 0.00 C ATOM 912 C GLN A 61 -15.835 -4.789 7.423 1.00 0.00 C ATOM 913 O GLN A 61 -15.636 -5.928 7.845 1.00 0.00 O ATOM 914 CB GLN A 61 -15.768 -2.697 8.793 1.00 0.00 C ATOM 915 CG GLN A 61 -14.940 -1.584 9.413 1.00 0.00 C ATOM 916 CD GLN A 61 -15.468 -1.146 10.765 1.00 0.00 C ATOM 917 OE1 GLN A 61 -14.850 -1.403 11.798 1.00 0.00 O ATOM 918 NE2 GLN A 61 -16.616 -0.479 10.764 1.00 0.00 N ATOM 0 H GLN A 61 -14.748 -1.911 6.692 1.00 0.00 H new ATOM 0 HA GLN A 61 -14.118 -4.025 8.439 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -16.584 -2.256 8.220 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -16.221 -3.288 9.589 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -13.909 -1.921 9.522 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -14.926 -0.728 8.738 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -17.094 -0.288 9.883 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -17.020 -0.157 11.644 1.00 0.00 H new ATOM 927 N GLU A 62 -16.801 -4.496 6.558 1.00 0.00 N ATOM 928 CA GLU A 62 -17.704 -5.520 6.045 1.00 0.00 C ATOM 929 C GLU A 62 -17.493 -5.730 4.549 1.00 0.00 C ATOM 930 O GLU A 62 -18.161 -5.125 3.711 1.00 0.00 O ATOM 931 CB GLU A 62 -19.158 -5.131 6.317 1.00 0.00 C ATOM 932 CG GLU A 62 -20.168 -6.034 5.628 1.00 0.00 C ATOM 933 CD GLU A 62 -21.557 -5.919 6.227 1.00 0.00 C ATOM 934 OE1 GLU A 62 -21.917 -4.813 6.679 1.00 0.00 O ATOM 935 OE2 GLU A 62 -22.282 -6.935 6.242 1.00 0.00 O ATOM 0 H GLU A 62 -16.978 -3.558 6.198 1.00 0.00 H new ATOM 0 HA GLU A 62 -17.483 -6.455 6.560 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -19.337 -5.154 7.392 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -19.318 -4.104 5.989 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -20.211 -5.782 4.568 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -19.831 -7.068 5.697 1.00 0.00 H new ATOM 942 N PRO A 63 -16.540 -6.609 4.204 1.00 0.00 N ATOM 943 CA PRO A 63 -16.218 -6.920 2.808 1.00 0.00 C ATOM 944 C PRO A 63 -17.329 -7.705 2.118 1.00 0.00 C ATOM 945 O PRO A 63 -18.040 -8.497 2.738 1.00 0.00 O ATOM 946 CB PRO A 63 -14.951 -7.772 2.918 1.00 0.00 C ATOM 947 CG PRO A 63 -15.020 -8.381 4.276 1.00 0.00 C ATOM 948 CD PRO A 63 -15.704 -7.367 5.150 1.00 0.00 C ATOM 0 HA PRO A 63 -16.092 -6.019 2.208 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -14.920 -8.537 2.142 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -14.054 -7.164 2.802 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -15.577 -9.318 4.256 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -14.023 -8.611 4.652 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -16.305 -7.844 5.924 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -14.985 -6.723 5.656 1.00 0.00 H new ATOM 956 N PRO A 64 -17.483 -7.483 0.804 1.00 0.00 N ATOM 957 CA PRO A 64 -18.505 -8.161 0.002 1.00 0.00 C ATOM 958 C PRO A 64 -18.207 -9.644 -0.185 1.00 0.00 C ATOM 959 O PRO A 64 -19.073 -10.493 0.025 1.00 0.00 O ATOM 960 CB PRO A 64 -18.444 -7.429 -1.342 1.00 0.00 C ATOM 961 CG PRO A 64 -17.060 -6.884 -1.413 1.00 0.00 C ATOM 962 CD PRO A 64 -16.671 -6.553 0.001 1.00 0.00 C ATOM 0 HA PRO A 64 -19.485 -8.127 0.478 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -18.646 -8.107 -2.172 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -19.186 -6.633 -1.393 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -16.375 -7.614 -1.845 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -17.022 -5.997 -2.046 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -15.604 -6.702 0.170 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -16.890 -5.514 0.245 1.00 0.00 H new ATOM 970 N HIS A 65 -16.975 -9.950 -0.580 1.00 0.00 N ATOM 971 CA HIS A 65 -16.561 -11.332 -0.794 1.00 0.00 C ATOM 972 C HIS A 65 -16.997 -12.216 0.371 1.00 0.00 C ATOM 973 O HIS A 65 -17.239 -13.411 0.202 1.00 0.00 O ATOM 974 CB HIS A 65 -15.044 -11.411 -0.970 1.00 0.00 C ATOM 975 CG HIS A 65 -14.293 -11.468 0.324 1.00 0.00 C ATOM 976 ND1 HIS A 65 -13.783 -10.349 0.948 1.00 0.00 N ATOM 977 CD2 HIS A 65 -13.968 -12.518 1.114 1.00 0.00 C ATOM 978 CE1 HIS A 65 -13.175 -10.708 2.064 1.00 0.00 C ATOM 979 NE2 HIS A 65 -13.273 -12.019 2.189 1.00 0.00 N ATOM 0 H HIS A 65 -16.246 -9.259 -0.758 1.00 0.00 H new ATOM 0 HA HIS A 65 -17.043 -11.694 -1.702 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -14.801 -12.294 -1.561 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -14.707 -10.544 -1.538 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -14.210 -13.555 0.933 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -12.681 -10.042 2.757 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -12.894 -12.571 2.958 1.00 0.00 H new