USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 502 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 Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot -22:sc= -2.04! USER MOD Single : A 38 THR OG1 : rot -170:sc= -0.0611 USER MOD Single : A 45 GLN :FLIP amide:sc= 0 F(o=-0.55,f=0) USER MOD Single : A 48 ASN : amide:sc= -0.723 K(o=-0.72,f=-2.4!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0.021 USER MOD Single : A 58 GLN : amide:sc= -1.72 K(o=-1.7,f=-8.3!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot -144:sc= 1.06 USER MOD Single : A 75 SER OG : rot 122:sc= -1.76 USER MOD Single : A 92 SER OG : rot -13:sc= -2.44! USER MOD ----------------------------------------------------------------- ATOM 145 N CYS A 10 4.888 -10.815 -16.023 1.00 0.00 N ATOM 146 CA CYS A 10 5.343 -10.337 -17.331 1.00 0.00 C ATOM 147 C CYS A 10 6.585 -9.465 -17.178 1.00 0.00 C ATOM 148 O CYS A 10 7.148 -9.362 -16.089 1.00 0.00 O ATOM 149 CB CYS A 10 4.240 -9.537 -18.034 1.00 0.00 C ATOM 150 SG CYS A 10 2.542 -10.100 -17.671 1.00 0.00 S ATOM 0 HA CYS A 10 5.588 -11.208 -17.938 1.00 0.00 H new ATOM 0 HB2 CYS A 10 4.330 -8.489 -17.747 1.00 0.00 H new ATOM 0 HB3 CYS A 10 4.403 -9.588 -19.111 1.00 0.00 H new ATOM 155 N LEU A 11 7.002 -8.834 -18.272 1.00 0.00 N ATOM 156 CA LEU A 11 8.168 -7.963 -18.250 1.00 0.00 C ATOM 157 C LEU A 11 7.845 -6.701 -17.461 1.00 0.00 C ATOM 158 O LEU A 11 6.912 -5.970 -17.792 1.00 0.00 O ATOM 159 CB LEU A 11 8.598 -7.620 -19.672 1.00 0.00 C ATOM 160 CG LEU A 11 9.485 -8.670 -20.345 1.00 0.00 C ATOM 161 CD1 LEU A 11 8.799 -10.019 -20.358 1.00 0.00 C ATOM 162 CD2 LEU A 11 9.795 -8.255 -21.758 1.00 0.00 C ATOM 0 H LEU A 11 6.549 -8.911 -19.183 1.00 0.00 H new ATOM 0 HA LEU A 11 8.996 -8.479 -17.763 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.706 -7.474 -20.281 1.00 0.00 H new ATOM 0 HB3 LEU A 11 9.132 -6.670 -19.656 1.00 0.00 H new ATOM 0 HG LEU A 11 10.411 -8.749 -19.776 1.00 0.00 H new ATOM 0 HD11 LEU A 11 9.446 -10.752 -20.841 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.595 -10.333 -19.334 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.861 -9.945 -20.908 1.00 0.00 H new ATOM 0 HD21 LEU A 11 10.427 -9.009 -22.228 1.00 0.00 H new ATOM 0 HD22 LEU A 11 8.867 -8.157 -22.321 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.317 -7.298 -21.750 1.00 0.00 H new ATOM 174 N PRO A 12 8.581 -6.441 -16.375 1.00 0.00 N ATOM 175 CA PRO A 12 8.316 -5.289 -15.526 1.00 0.00 C ATOM 176 C PRO A 12 8.626 -3.940 -16.168 1.00 0.00 C ATOM 177 O PRO A 12 9.109 -3.855 -17.298 1.00 0.00 O ATOM 178 CB PRO A 12 9.229 -5.486 -14.313 1.00 0.00 C ATOM 179 CG PRO A 12 9.812 -6.852 -14.429 1.00 0.00 C ATOM 180 CD PRO A 12 9.686 -7.268 -15.868 1.00 0.00 C ATOM 0 HA PRO A 12 7.251 -5.250 -15.296 1.00 0.00 H new ATOM 0 HB2 PRO A 12 10.015 -4.731 -14.294 1.00 0.00 H new ATOM 0 HB3 PRO A 12 8.666 -5.384 -13.385 1.00 0.00 H new ATOM 0 HG2 PRO A 12 10.857 -6.852 -14.119 1.00 0.00 H new ATOM 0 HG3 PRO A 12 9.286 -7.551 -13.779 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.608 -7.086 -16.420 1.00 0.00 H new ATOM 0 HD3 PRO A 12 9.465 -8.331 -15.959 1.00 0.00 H new ATOM 188 N CYS A 13 8.353 -2.886 -15.396 1.00 0.00 N ATOM 189 CA CYS A 13 8.579 -1.524 -15.809 1.00 0.00 C ATOM 190 C CYS A 13 9.092 -0.700 -14.624 1.00 0.00 C ATOM 191 O CYS A 13 9.536 -1.252 -13.618 1.00 0.00 O ATOM 192 CB CYS A 13 7.289 -0.908 -16.378 1.00 0.00 C ATOM 193 SG CYS A 13 7.546 0.632 -17.326 1.00 0.00 S ATOM 0 H CYS A 13 7.964 -2.969 -14.457 1.00 0.00 H new ATOM 0 HA CYS A 13 9.332 -1.516 -16.597 1.00 0.00 H new ATOM 0 HB2 CYS A 13 6.804 -1.641 -17.023 1.00 0.00 H new ATOM 0 HB3 CYS A 13 6.604 -0.704 -15.555 1.00 0.00 H new ATOM 198 N GLY A 14 8.996 0.612 -14.747 1.00 0.00 N ATOM 199 CA GLY A 14 9.423 1.497 -13.682 1.00 0.00 C ATOM 200 C GLY A 14 10.822 1.201 -13.193 1.00 0.00 C ATOM 201 O GLY A 14 11.656 0.697 -13.942 1.00 0.00 O ATOM 0 H GLY A 14 8.627 1.085 -15.572 1.00 0.00 H new ATOM 0 HA2 GLY A 14 9.378 2.528 -14.034 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.727 1.414 -12.847 1.00 0.00 H new ATOM 205 N PRO A 15 11.107 1.535 -11.930 1.00 0.00 N ATOM 206 CA PRO A 15 12.421 1.328 -11.332 1.00 0.00 C ATOM 207 C PRO A 15 12.634 -0.106 -10.840 1.00 0.00 C ATOM 208 O PRO A 15 12.245 -0.455 -9.726 1.00 0.00 O ATOM 209 CB PRO A 15 12.380 2.313 -10.168 1.00 0.00 C ATOM 210 CG PRO A 15 10.971 2.261 -9.715 1.00 0.00 C ATOM 211 CD PRO A 15 10.171 2.178 -10.983 1.00 0.00 C ATOM 0 HA PRO A 15 13.241 1.483 -12.033 1.00 0.00 H new ATOM 0 HB2 PRO A 15 13.067 2.023 -9.373 1.00 0.00 H new ATOM 0 HB3 PRO A 15 12.663 3.317 -10.483 1.00 0.00 H new ATOM 0 HG2 PRO A 15 10.791 1.397 -9.075 1.00 0.00 H new ATOM 0 HG3 PRO A 15 10.707 3.146 -9.136 1.00 0.00 H new ATOM 0 HD2 PRO A 15 9.264 1.588 -10.849 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.861 3.164 -11.329 1.00 0.00 H new ATOM 219 N GLY A 16 13.256 -0.927 -11.684 1.00 0.00 N ATOM 220 CA GLY A 16 13.521 -2.316 -11.334 1.00 0.00 C ATOM 221 C GLY A 16 12.499 -3.258 -11.932 1.00 0.00 C ATOM 222 O GLY A 16 12.781 -3.974 -12.893 1.00 0.00 O ATOM 0 H GLY A 16 13.584 -0.654 -12.610 1.00 0.00 H new ATOM 0 HA2 GLY A 16 14.516 -2.593 -11.681 1.00 0.00 H new ATOM 0 HA3 GLY A 16 13.521 -2.423 -10.249 1.00 0.00 H new ATOM 226 N GLY A 17 11.296 -3.223 -11.375 1.00 0.00 N ATOM 227 CA GLY A 17 10.212 -4.039 -11.862 1.00 0.00 C ATOM 228 C GLY A 17 8.951 -3.786 -11.093 1.00 0.00 C ATOM 229 O GLY A 17 8.181 -4.695 -10.782 1.00 0.00 O ATOM 0 H GLY A 17 11.054 -2.631 -10.580 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.044 -3.831 -12.919 1.00 0.00 H new ATOM 0 HA3 GLY A 17 10.483 -5.092 -11.784 1.00 0.00 H new ATOM 233 N LYS A 18 8.774 -2.521 -10.784 1.00 0.00 N ATOM 234 CA LYS A 18 7.645 -2.024 -10.038 1.00 0.00 C ATOM 235 C LYS A 18 6.374 -2.185 -10.833 1.00 0.00 C ATOM 236 O LYS A 18 5.284 -2.359 -10.288 1.00 0.00 O ATOM 237 CB LYS A 18 7.884 -0.547 -9.782 1.00 0.00 C ATOM 238 CG LYS A 18 8.341 -0.200 -8.397 1.00 0.00 C ATOM 239 CD LYS A 18 9.192 -1.295 -7.818 1.00 0.00 C ATOM 240 CE LYS A 18 9.683 -0.947 -6.425 1.00 0.00 C ATOM 241 NZ LYS A 18 8.784 -1.488 -5.367 1.00 0.00 N ATOM 0 H LYS A 18 9.432 -1.790 -11.054 1.00 0.00 H new ATOM 0 HA LYS A 18 7.541 -2.579 -9.106 1.00 0.00 H new ATOM 0 HB2 LYS A 18 8.629 -0.188 -10.493 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.960 -0.006 -9.988 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.907 0.731 -8.420 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.475 -0.031 -7.757 1.00 0.00 H new ATOM 0 HD2 LYS A 18 8.618 -2.221 -7.781 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.046 -1.476 -8.470 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.688 -1.344 -6.285 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.751 0.136 -6.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.155 -1.228 -4.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.831 -1.090 -5.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.739 -2.524 -5.446 1.00 0.00 H new ATOM 255 N GLY A 19 6.548 -2.165 -12.129 1.00 0.00 N ATOM 256 CA GLY A 19 5.469 -2.337 -13.043 1.00 0.00 C ATOM 257 C GLY A 19 5.783 -3.322 -14.139 1.00 0.00 C ATOM 258 O GLY A 19 6.592 -4.226 -13.974 1.00 0.00 O ATOM 0 H GLY A 19 7.455 -2.027 -12.575 1.00 0.00 H new ATOM 0 HA2 GLY A 19 4.588 -2.676 -12.498 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.218 -1.374 -13.487 1.00 0.00 H new ATOM 262 N ARG A 20 5.108 -3.113 -15.252 1.00 0.00 N ATOM 263 CA ARG A 20 5.245 -3.938 -16.429 1.00 0.00 C ATOM 264 C ARG A 20 4.751 -3.177 -17.653 1.00 0.00 C ATOM 265 O ARG A 20 4.254 -2.065 -17.528 1.00 0.00 O ATOM 266 CB ARG A 20 4.474 -5.227 -16.241 1.00 0.00 C ATOM 267 CG ARG A 20 2.982 -5.026 -16.260 1.00 0.00 C ATOM 268 CD ARG A 20 2.313 -6.073 -17.117 1.00 0.00 C ATOM 269 NE ARG A 20 1.578 -7.021 -16.309 1.00 0.00 N ATOM 270 CZ ARG A 20 0.359 -6.795 -15.850 1.00 0.00 C ATOM 271 NH1 ARG A 20 -0.265 -5.653 -16.103 1.00 0.00 N ATOM 272 NH2 ARG A 20 -0.236 -7.699 -15.120 1.00 0.00 N ATOM 0 H ARG A 20 4.438 -2.351 -15.362 1.00 0.00 H new ATOM 0 HA ARG A 20 6.295 -4.186 -16.583 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.751 -5.928 -17.028 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.762 -5.682 -15.293 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.590 -5.076 -15.244 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.749 -4.032 -16.643 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.636 -5.591 -17.822 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.065 -6.599 -17.706 1.00 0.00 H new ATOM 0 HE ARG A 20 2.023 -7.910 -16.082 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.195 -4.933 -16.659 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -1.205 -5.495 -15.741 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.240 -8.576 -14.906 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -1.176 -7.529 -14.764 1.00 0.00 H new ATOM 286 N CYS A 21 4.875 -3.776 -18.828 1.00 0.00 N ATOM 287 CA CYS A 21 4.442 -3.134 -20.062 1.00 0.00 C ATOM 288 C CYS A 21 2.922 -3.055 -20.165 1.00 0.00 C ATOM 289 O CYS A 21 2.208 -3.597 -19.327 1.00 0.00 O ATOM 290 CB CYS A 21 5.022 -3.880 -21.249 1.00 0.00 C ATOM 291 SG CYS A 21 6.633 -3.242 -21.811 1.00 0.00 S ATOM 0 H CYS A 21 5.272 -4.707 -18.954 1.00 0.00 H new ATOM 0 HA CYS A 21 4.811 -2.108 -20.059 1.00 0.00 H new ATOM 0 HB2 CYS A 21 5.131 -4.932 -20.985 1.00 0.00 H new ATOM 0 HB3 CYS A 21 4.315 -3.831 -22.077 1.00 0.00 H new ATOM 296 N PHE A 22 2.442 -2.425 -21.242 1.00 0.00 N ATOM 297 CA PHE A 22 0.996 -2.303 -21.475 1.00 0.00 C ATOM 298 C PHE A 22 0.655 -2.085 -22.952 1.00 0.00 C ATOM 299 O PHE A 22 -0.291 -2.683 -23.468 1.00 0.00 O ATOM 300 CB PHE A 22 0.411 -1.150 -20.641 1.00 0.00 C ATOM 301 CG PHE A 22 -0.026 -1.557 -19.263 1.00 0.00 C ATOM 302 CD1 PHE A 22 0.912 -1.876 -18.300 1.00 0.00 C ATOM 303 CD2 PHE A 22 -1.372 -1.643 -18.942 1.00 0.00 C ATOM 304 CE1 PHE A 22 0.522 -2.265 -17.036 1.00 0.00 C ATOM 305 CE2 PHE A 22 -1.771 -2.036 -17.677 1.00 0.00 C ATOM 306 CZ PHE A 22 -0.820 -2.353 -16.725 1.00 0.00 C ATOM 0 H PHE A 22 3.025 -1.995 -21.960 1.00 0.00 H new ATOM 0 HA PHE A 22 0.550 -3.249 -21.166 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.158 -0.360 -20.556 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -0.442 -0.727 -21.172 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.963 -1.820 -18.540 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.116 -1.401 -19.686 1.00 0.00 H new ATOM 0 HE1 PHE A 22 1.266 -2.501 -16.290 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -2.822 -2.095 -17.434 1.00 0.00 H new ATOM 0 HZ PHE A 22 -1.127 -2.669 -15.739 1.00 0.00 H new ATOM 316 N GLY A 23 1.412 -1.221 -23.621 1.00 0.00 N ATOM 317 CA GLY A 23 1.124 -0.951 -25.025 1.00 0.00 C ATOM 318 C GLY A 23 2.153 -0.107 -25.777 1.00 0.00 C ATOM 319 O GLY A 23 3.230 -0.595 -26.115 1.00 0.00 O ATOM 0 H GLY A 23 2.204 -0.711 -23.230 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.020 -1.905 -25.542 1.00 0.00 H new ATOM 0 HA3 GLY A 23 0.159 -0.448 -25.086 1.00 0.00 H new ATOM 323 N PRO A 24 1.817 1.163 -26.102 1.00 0.00 N ATOM 324 CA PRO A 24 2.681 2.057 -26.863 1.00 0.00 C ATOM 325 C PRO A 24 3.509 2.956 -25.971 1.00 0.00 C ATOM 326 O PRO A 24 2.998 3.926 -25.409 1.00 0.00 O ATOM 327 CB PRO A 24 1.662 2.878 -27.648 1.00 0.00 C ATOM 328 CG PRO A 24 0.503 3.016 -26.713 1.00 0.00 C ATOM 329 CD PRO A 24 0.540 1.820 -25.782 1.00 0.00 C ATOM 0 HA PRO A 24 3.411 1.526 -27.474 1.00 0.00 H new ATOM 0 HB2 PRO A 24 2.066 3.851 -27.928 1.00 0.00 H new ATOM 0 HB3 PRO A 24 1.372 2.376 -28.571 1.00 0.00 H new ATOM 0 HG2 PRO A 24 0.571 3.946 -26.149 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -0.436 3.046 -27.265 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.499 2.126 -24.737 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.306 1.154 -25.953 1.00 0.00 H new ATOM 337 N SER A 25 4.785 2.625 -25.817 1.00 0.00 N ATOM 338 CA SER A 25 5.653 3.414 -24.959 1.00 0.00 C ATOM 339 C SER A 25 5.059 3.483 -23.559 1.00 0.00 C ATOM 340 O SER A 25 5.426 4.340 -22.759 1.00 0.00 O ATOM 341 CB SER A 25 5.769 4.838 -25.509 1.00 0.00 C ATOM 342 OG SER A 25 6.986 5.452 -25.115 1.00 0.00 O ATOM 0 H SER A 25 5.234 1.828 -26.268 1.00 0.00 H new ATOM 0 HA SER A 25 6.637 2.947 -24.927 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.708 4.815 -26.597 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.928 5.435 -25.155 1.00 0.00 H new ATOM 0 HG SER A 25 7.333 5.007 -24.314 1.00 0.00 H new ATOM 348 N ILE A 26 4.093 2.612 -23.288 1.00 0.00 N ATOM 349 CA ILE A 26 3.406 2.636 -22.022 1.00 0.00 C ATOM 350 C ILE A 26 3.645 1.418 -21.153 1.00 0.00 C ATOM 351 O ILE A 26 3.995 0.323 -21.610 1.00 0.00 O ATOM 352 CB ILE A 26 1.896 2.746 -22.253 1.00 0.00 C ATOM 353 CG1 ILE A 26 1.201 3.441 -21.105 1.00 0.00 C ATOM 354 CG2 ILE A 26 1.299 1.375 -22.411 1.00 0.00 C ATOM 355 CD1 ILE A 26 -0.270 3.645 -21.403 1.00 0.00 C ATOM 0 H ILE A 26 3.776 1.887 -23.932 1.00 0.00 H new ATOM 0 HA ILE A 26 3.811 3.500 -21.496 1.00 0.00 H new ATOM 0 HB ILE A 26 1.751 3.335 -23.159 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.313 2.850 -20.196 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.675 4.405 -20.918 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.225 1.463 -22.575 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.757 0.875 -23.265 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.482 0.792 -21.508 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.746 4.147 -20.561 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.378 4.257 -22.298 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.746 2.678 -21.565 1.00 0.00 H new ATOM 367 N CYS A 27 3.357 1.636 -19.891 1.00 0.00 N ATOM 368 CA CYS A 27 3.433 0.629 -18.879 1.00 0.00 C ATOM 369 C CYS A 27 2.691 1.085 -17.649 1.00 0.00 C ATOM 370 O CYS A 27 2.075 2.150 -17.624 1.00 0.00 O ATOM 371 CB CYS A 27 4.867 0.286 -18.533 1.00 0.00 C ATOM 372 SG CYS A 27 5.698 1.447 -17.424 1.00 0.00 S ATOM 0 H CYS A 27 3.056 2.545 -19.539 1.00 0.00 H new ATOM 0 HA CYS A 27 2.968 -0.276 -19.269 1.00 0.00 H new ATOM 0 HB2 CYS A 27 4.886 -0.703 -18.076 1.00 0.00 H new ATOM 0 HB3 CYS A 27 5.440 0.220 -19.458 1.00 0.00 H new ATOM 377 N CYS A 28 2.793 0.286 -16.631 1.00 0.00 N ATOM 378 CA CYS A 28 2.168 0.575 -15.374 1.00 0.00 C ATOM 379 C CYS A 28 2.916 -0.119 -14.269 1.00 0.00 C ATOM 380 O CYS A 28 3.409 -1.230 -14.466 1.00 0.00 O ATOM 381 CB CYS A 28 0.720 0.118 -15.404 1.00 0.00 C ATOM 382 SG CYS A 28 -0.440 1.299 -14.674 1.00 0.00 S ATOM 0 H CYS A 28 3.315 -0.590 -16.648 1.00 0.00 H new ATOM 0 HA CYS A 28 2.190 1.650 -15.193 1.00 0.00 H new ATOM 0 HB2 CYS A 28 0.430 -0.069 -16.438 1.00 0.00 H new ATOM 0 HB3 CYS A 28 0.638 -0.831 -14.874 1.00 0.00 H new ATOM 387 N GLY A 29 2.966 0.485 -13.101 1.00 0.00 N ATOM 388 CA GLY A 29 3.617 -0.145 -12.011 1.00 0.00 C ATOM 389 C GLY A 29 2.659 -0.371 -10.868 1.00 0.00 C ATOM 390 O GLY A 29 1.529 0.108 -10.913 1.00 0.00 O ATOM 0 H GLY A 29 2.564 1.400 -12.899 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.035 -1.098 -12.334 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.451 0.471 -11.675 1.00 0.00 H new ATOM 394 N ASP A 30 3.082 -1.096 -9.849 1.00 0.00 N ATOM 395 CA ASP A 30 2.206 -1.355 -8.729 1.00 0.00 C ATOM 396 C ASP A 30 2.050 -0.071 -7.933 1.00 0.00 C ATOM 397 O ASP A 30 1.096 0.681 -8.133 1.00 0.00 O ATOM 398 CB ASP A 30 2.764 -2.484 -7.855 1.00 0.00 C ATOM 399 CG ASP A 30 1.765 -3.605 -7.650 1.00 0.00 C ATOM 400 OD1 ASP A 30 0.617 -3.313 -7.252 1.00 0.00 O ATOM 401 OD2 ASP A 30 2.129 -4.776 -7.887 1.00 0.00 O ATOM 0 H ASP A 30 4.012 -1.509 -9.776 1.00 0.00 H new ATOM 0 HA ASP A 30 1.229 -1.679 -9.089 1.00 0.00 H new ATOM 0 HB2 ASP A 30 3.666 -2.885 -8.317 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.055 -2.079 -6.886 1.00 0.00 H new ATOM 406 N GLU A 31 3.025 0.217 -7.091 1.00 0.00 N ATOM 407 CA GLU A 31 3.037 1.446 -6.335 1.00 0.00 C ATOM 408 C GLU A 31 3.466 2.578 -7.263 1.00 0.00 C ATOM 409 O GLU A 31 3.600 3.735 -6.860 1.00 0.00 O ATOM 410 CB GLU A 31 4.039 1.330 -5.193 1.00 0.00 C ATOM 411 CG GLU A 31 5.456 1.057 -5.685 1.00 0.00 C ATOM 412 CD GLU A 31 6.461 2.057 -5.150 1.00 0.00 C ATOM 413 OE1 GLU A 31 6.143 2.747 -4.159 1.00 0.00 O ATOM 414 OE2 GLU A 31 7.567 2.152 -5.724 1.00 0.00 O ATOM 0 H GLU A 31 3.824 -0.393 -6.916 1.00 0.00 H new ATOM 0 HA GLU A 31 2.046 1.644 -5.927 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.031 2.252 -4.612 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.730 0.528 -4.523 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.754 0.052 -5.385 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.469 1.081 -6.775 1.00 0.00 H new ATOM 421 N LEU A 32 3.772 2.180 -8.489 1.00 0.00 N ATOM 422 CA LEU A 32 4.293 3.030 -9.521 1.00 0.00 C ATOM 423 C LEU A 32 3.225 3.754 -10.334 1.00 0.00 C ATOM 424 O LEU A 32 3.475 4.830 -10.873 1.00 0.00 O ATOM 425 CB LEU A 32 5.059 2.086 -10.414 1.00 0.00 C ATOM 426 CG LEU A 32 6.527 2.317 -10.639 1.00 0.00 C ATOM 427 CD1 LEU A 32 6.927 1.536 -11.861 1.00 0.00 C ATOM 428 CD2 LEU A 32 6.860 3.780 -10.816 1.00 0.00 C ATOM 0 H LEU A 32 3.655 1.213 -8.793 1.00 0.00 H new ATOM 0 HA LEU A 32 4.891 3.830 -9.084 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.944 1.082 -10.005 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.573 2.091 -11.390 1.00 0.00 H new ATOM 0 HG LEU A 32 7.080 1.984 -9.760 1.00 0.00 H new ATOM 0 HD11 LEU A 32 7.990 1.681 -12.054 1.00 0.00 H new ATOM 0 HD12 LEU A 32 6.730 0.477 -11.697 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.352 1.883 -12.719 1.00 0.00 H new ATOM 0 HD21 LEU A 32 7.932 3.892 -10.975 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.322 4.174 -11.678 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.566 4.331 -9.922 1.00 0.00 H new ATOM 440 N GLY A 33 2.056 3.160 -10.438 1.00 0.00 N ATOM 441 CA GLY A 33 0.997 3.762 -11.215 1.00 0.00 C ATOM 442 C GLY A 33 1.199 3.578 -12.708 1.00 0.00 C ATOM 443 O GLY A 33 1.936 2.695 -13.139 1.00 0.00 O ATOM 0 H GLY A 33 1.817 2.271 -9.999 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.042 3.324 -10.924 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.943 4.826 -10.987 1.00 0.00 H new ATOM 447 N CYS A 34 0.529 4.388 -13.511 1.00 0.00 N ATOM 448 CA CYS A 34 0.645 4.262 -14.956 1.00 0.00 C ATOM 449 C CYS A 34 1.367 5.425 -15.615 1.00 0.00 C ATOM 450 O CYS A 34 1.117 6.588 -15.304 1.00 0.00 O ATOM 451 CB CYS A 34 -0.726 4.107 -15.572 1.00 0.00 C ATOM 452 SG CYS A 34 -1.006 2.453 -16.241 1.00 0.00 S ATOM 0 H CYS A 34 -0.093 5.131 -13.193 1.00 0.00 H new ATOM 0 HA CYS A 34 1.251 3.374 -15.136 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.484 4.323 -14.820 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.848 4.842 -16.368 1.00 0.00 H new ATOM 457 N PHE A 35 2.239 5.084 -16.567 1.00 0.00 N ATOM 458 CA PHE A 35 2.983 6.085 -17.335 1.00 0.00 C ATOM 459 C PHE A 35 2.875 5.790 -18.828 1.00 0.00 C ATOM 460 O PHE A 35 2.962 4.635 -19.239 1.00 0.00 O ATOM 461 CB PHE A 35 4.462 6.099 -16.957 1.00 0.00 C ATOM 462 CG PHE A 35 4.732 5.824 -15.525 1.00 0.00 C ATOM 463 CD1 PHE A 35 4.545 4.559 -15.004 1.00 0.00 C ATOM 464 CD2 PHE A 35 5.162 6.838 -14.699 1.00 0.00 C ATOM 465 CE1 PHE A 35 4.786 4.312 -13.674 1.00 0.00 C ATOM 466 CE2 PHE A 35 5.403 6.600 -13.369 1.00 0.00 C ATOM 467 CZ PHE A 35 5.212 5.335 -12.857 1.00 0.00 C ATOM 0 H PHE A 35 2.447 4.119 -16.825 1.00 0.00 H new ATOM 0 HA PHE A 35 2.546 7.056 -17.104 1.00 0.00 H new ATOM 0 HB2 PHE A 35 4.986 5.358 -17.561 1.00 0.00 H new ATOM 0 HB3 PHE A 35 4.880 7.073 -17.212 1.00 0.00 H new ATOM 0 HD1 PHE A 35 4.207 3.759 -15.646 1.00 0.00 H new ATOM 0 HD2 PHE A 35 5.311 7.829 -15.101 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.642 3.320 -13.271 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.741 7.400 -12.727 1.00 0.00 H new ATOM 0 HZ PHE A 35 5.397 5.145 -11.810 1.00 0.00 H new ATOM 477 N VAL A 36 2.717 6.836 -19.639 1.00 0.00 N ATOM 478 CA VAL A 36 2.638 6.671 -21.090 1.00 0.00 C ATOM 479 C VAL A 36 3.742 7.445 -21.775 1.00 0.00 C ATOM 480 O VAL A 36 3.730 8.676 -21.809 1.00 0.00 O ATOM 481 CB VAL A 36 1.297 7.133 -21.673 1.00 0.00 C ATOM 482 CG1 VAL A 36 1.130 6.586 -23.088 1.00 0.00 C ATOM 483 CG2 VAL A 36 0.154 6.709 -20.766 1.00 0.00 C ATOM 0 H VAL A 36 2.642 7.801 -19.318 1.00 0.00 H new ATOM 0 HA VAL A 36 2.742 5.602 -21.274 1.00 0.00 H new ATOM 0 HB VAL A 36 1.282 8.221 -21.731 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.175 6.918 -23.496 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.941 6.952 -23.718 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.154 5.497 -23.062 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.792 7.044 -21.192 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.146 5.623 -20.674 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.286 7.156 -19.781 1.00 0.00 H new ATOM 493 N GLY A 37 4.701 6.717 -22.316 1.00 0.00 N ATOM 494 CA GLY A 37 5.815 7.357 -22.988 1.00 0.00 C ATOM 495 C GLY A 37 6.687 8.150 -22.028 1.00 0.00 C ATOM 496 O GLY A 37 7.662 8.778 -22.439 1.00 0.00 O ATOM 0 H GLY A 37 4.732 5.698 -22.304 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.421 6.599 -23.485 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.435 8.021 -23.764 1.00 0.00 H new ATOM 500 N THR A 38 6.332 8.120 -20.742 1.00 0.00 N ATOM 501 CA THR A 38 7.079 8.827 -19.713 1.00 0.00 C ATOM 502 C THR A 38 8.440 8.166 -19.505 1.00 0.00 C ATOM 503 O THR A 38 8.741 7.137 -20.110 1.00 0.00 O ATOM 504 CB THR A 38 6.273 8.811 -18.408 1.00 0.00 C ATOM 505 OG1 THR A 38 4.905 9.062 -18.675 1.00 0.00 O ATOM 506 CG2 THR A 38 6.716 9.826 -17.367 1.00 0.00 C ATOM 0 H THR A 38 5.523 7.607 -20.391 1.00 0.00 H new ATOM 0 HA THR A 38 7.243 9.859 -20.024 1.00 0.00 H new ATOM 0 HB THR A 38 6.446 7.817 -17.996 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.428 9.206 -17.831 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.087 9.737 -16.481 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.755 9.638 -17.095 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.625 10.832 -17.778 1.00 0.00 H new ATOM 514 N ALA A 39 9.248 8.756 -18.636 1.00 0.00 N ATOM 515 CA ALA A 39 10.570 8.237 -18.325 1.00 0.00 C ATOM 516 C ALA A 39 10.491 6.852 -17.685 1.00 0.00 C ATOM 517 O ALA A 39 11.206 5.942 -18.074 1.00 0.00 O ATOM 518 CB ALA A 39 11.290 9.211 -17.407 1.00 0.00 C ATOM 0 H ALA A 39 9.005 9.607 -18.128 1.00 0.00 H new ATOM 0 HA ALA A 39 11.130 8.132 -19.254 1.00 0.00 H new ATOM 0 HB1 ALA A 39 12.282 8.824 -17.172 1.00 0.00 H new ATOM 0 HB2 ALA A 39 11.385 10.177 -17.904 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.720 9.332 -16.486 1.00 0.00 H new ATOM 524 N GLU A 40 9.621 6.695 -16.697 1.00 0.00 N ATOM 525 CA GLU A 40 9.462 5.416 -16.018 1.00 0.00 C ATOM 526 C GLU A 40 8.744 4.390 -16.911 1.00 0.00 C ATOM 527 O GLU A 40 8.609 3.226 -16.537 1.00 0.00 O ATOM 528 CB GLU A 40 8.686 5.616 -14.716 1.00 0.00 C ATOM 529 CG GLU A 40 9.555 5.592 -13.467 1.00 0.00 C ATOM 530 CD GLU A 40 9.847 6.982 -12.938 1.00 0.00 C ATOM 531 OE1 GLU A 40 8.884 7.735 -12.686 1.00 0.00 O ATOM 532 OE2 GLU A 40 11.039 7.318 -12.777 1.00 0.00 O ATOM 0 H GLU A 40 9.014 7.437 -16.348 1.00 0.00 H new ATOM 0 HA GLU A 40 10.454 5.024 -15.794 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.160 6.569 -14.762 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.928 4.837 -14.634 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.057 5.009 -12.692 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.495 5.087 -13.691 1.00 0.00 H new ATOM 539 N ALA A 41 8.243 4.843 -18.064 1.00 0.00 N ATOM 540 CA ALA A 41 7.498 3.971 -18.976 1.00 0.00 C ATOM 541 C ALA A 41 8.297 3.476 -20.171 1.00 0.00 C ATOM 542 O ALA A 41 7.817 2.636 -20.936 1.00 0.00 O ATOM 543 CB ALA A 41 6.298 4.706 -19.498 1.00 0.00 C ATOM 0 H ALA A 41 8.339 5.806 -18.387 1.00 0.00 H new ATOM 0 HA ALA A 41 7.228 3.095 -18.386 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.742 4.059 -20.177 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.657 4.994 -18.665 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.622 5.599 -20.032 1.00 0.00 H new ATOM 549 N LEU A 42 9.502 3.965 -20.339 1.00 0.00 N ATOM 550 CA LEU A 42 10.334 3.544 -21.444 1.00 0.00 C ATOM 551 C LEU A 42 10.746 2.079 -21.327 1.00 0.00 C ATOM 552 O LEU A 42 11.253 1.497 -22.280 1.00 0.00 O ATOM 553 CB LEU A 42 11.575 4.432 -21.531 1.00 0.00 C ATOM 554 CG LEU A 42 12.315 4.701 -20.210 1.00 0.00 C ATOM 555 CD1 LEU A 42 11.919 3.711 -19.120 1.00 0.00 C ATOM 556 CD2 LEU A 42 13.816 4.657 -20.430 1.00 0.00 C ATOM 0 H LEU A 42 9.931 4.657 -19.724 1.00 0.00 H new ATOM 0 HA LEU A 42 9.745 3.646 -22.356 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.276 3.973 -22.228 1.00 0.00 H new ATOM 0 HB3 LEU A 42 11.281 5.390 -21.959 1.00 0.00 H new ATOM 0 HG LEU A 42 12.026 5.696 -19.873 1.00 0.00 H new ATOM 0 HD11 LEU A 42 12.466 3.939 -18.205 1.00 0.00 H new ATOM 0 HD12 LEU A 42 10.848 3.787 -18.931 1.00 0.00 H new ATOM 0 HD13 LEU A 42 12.159 2.698 -19.444 1.00 0.00 H new ATOM 0 HD21 LEU A 42 14.328 4.849 -19.487 1.00 0.00 H new ATOM 0 HD22 LEU A 42 14.100 3.673 -20.803 1.00 0.00 H new ATOM 0 HD23 LEU A 42 14.099 5.417 -21.158 1.00 0.00 H new ATOM 568 N ARG A 43 10.528 1.489 -20.159 1.00 0.00 N ATOM 569 CA ARG A 43 10.887 0.099 -19.920 1.00 0.00 C ATOM 570 C ARG A 43 10.389 -0.829 -21.025 1.00 0.00 C ATOM 571 O ARG A 43 10.921 -1.925 -21.198 1.00 0.00 O ATOM 572 CB ARG A 43 10.340 -0.341 -18.577 1.00 0.00 C ATOM 573 CG ARG A 43 11.415 -0.774 -17.599 1.00 0.00 C ATOM 574 CD ARG A 43 12.425 0.335 -17.379 1.00 0.00 C ATOM 575 NE ARG A 43 13.044 0.246 -16.064 1.00 0.00 N ATOM 576 CZ ARG A 43 14.144 -0.455 -15.808 1.00 0.00 C ATOM 577 NH1 ARG A 43 14.751 -1.139 -16.768 1.00 0.00 N ATOM 578 NH2 ARG A 43 14.642 -0.472 -14.582 1.00 0.00 N ATOM 0 H ARG A 43 10.102 1.956 -19.358 1.00 0.00 H new ATOM 0 HA ARG A 43 11.975 0.033 -19.918 1.00 0.00 H new ATOM 0 HB2 ARG A 43 9.770 0.479 -18.139 1.00 0.00 H new ATOM 0 HB3 ARG A 43 9.645 -1.166 -18.729 1.00 0.00 H new ATOM 0 HG2 ARG A 43 10.958 -1.049 -16.648 1.00 0.00 H new ATOM 0 HG3 ARG A 43 11.921 -1.662 -17.978 1.00 0.00 H new ATOM 0 HD2 ARG A 43 13.196 0.283 -18.148 1.00 0.00 H new ATOM 0 HD3 ARG A 43 11.933 1.302 -17.485 1.00 0.00 H new ATOM 0 HE ARG A 43 12.607 0.752 -15.293 1.00 0.00 H new ATOM 0 HH11 ARG A 43 14.375 -1.131 -17.716 1.00 0.00 H new ATOM 0 HH12 ARG A 43 15.594 -1.673 -16.559 1.00 0.00 H new ATOM 0 HH21 ARG A 43 14.182 0.052 -13.837 1.00 0.00 H new ATOM 0 HH22 ARG A 43 15.486 -1.009 -14.382 1.00 0.00 H new ATOM 592 N CYS A 44 9.378 -0.405 -21.772 1.00 0.00 N ATOM 593 CA CYS A 44 8.854 -1.241 -22.841 1.00 0.00 C ATOM 594 C CYS A 44 9.860 -1.337 -23.978 1.00 0.00 C ATOM 595 O CYS A 44 9.784 -2.237 -24.816 1.00 0.00 O ATOM 596 CB CYS A 44 7.501 -0.730 -23.330 1.00 0.00 C ATOM 597 SG CYS A 44 6.176 -1.989 -23.348 1.00 0.00 S ATOM 0 H CYS A 44 8.912 0.496 -21.660 1.00 0.00 H new ATOM 0 HA CYS A 44 8.694 -2.244 -22.446 1.00 0.00 H new ATOM 0 HB2 CYS A 44 7.189 0.099 -22.694 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.620 -0.332 -24.338 1.00 0.00 H new ATOM 602 N GLN A 45 10.837 -0.437 -23.968 1.00 0.00 N ATOM 603 CA GLN A 45 11.892 -0.457 -24.953 1.00 0.00 C ATOM 604 C GLN A 45 12.758 -1.690 -24.716 1.00 0.00 C ATOM 605 O GLN A 45 13.477 -2.155 -25.601 1.00 0.00 O ATOM 606 CB GLN A 45 12.735 0.809 -24.848 1.00 0.00 C ATOM 607 CG GLN A 45 12.456 1.826 -25.942 1.00 0.00 C ATOM 608 CD GLN A 45 11.133 2.544 -25.753 1.00 0.00 C ATOM 609 OE1 GLN A 45 10.997 3.250 -24.636 1.00 0.00 O flip ATOM 610 NE2 GLN A 45 10.244 2.466 -26.601 1.00 0.00 N flip ATOM 0 H GLN A 45 10.913 0.315 -23.283 1.00 0.00 H new ATOM 0 HA GLN A 45 11.462 -0.497 -25.954 1.00 0.00 H new ATOM 0 HB2 GLN A 45 12.556 1.274 -23.879 1.00 0.00 H new ATOM 0 HB3 GLN A 45 13.790 0.535 -24.880 1.00 0.00 H new ATOM 0 HG2 GLN A 45 13.262 2.559 -25.964 1.00 0.00 H new ATOM 0 HG3 GLN A 45 12.456 1.322 -26.909 1.00 0.00 H new ATOM 0 HE21 GLN A 45 10.391 1.912 -27.445 1.00 0.00 H new ATOM 0 HE22 GLN A 45 9.360 2.955 -26.460 1.00 0.00 H new ATOM 619 N GLU A 46 12.636 -2.232 -23.504 1.00 0.00 N ATOM 620 CA GLU A 46 13.357 -3.432 -23.120 1.00 0.00 C ATOM 621 C GLU A 46 12.619 -4.653 -23.665 1.00 0.00 C ATOM 622 O GLU A 46 13.173 -5.753 -23.760 1.00 0.00 O ATOM 623 CB GLU A 46 13.506 -3.505 -21.594 1.00 0.00 C ATOM 624 CG GLU A 46 12.352 -4.188 -20.885 1.00 0.00 C ATOM 625 CD GLU A 46 12.602 -5.665 -20.677 1.00 0.00 C ATOM 626 OE1 GLU A 46 13.301 -6.019 -19.704 1.00 0.00 O ATOM 627 OE2 GLU A 46 12.108 -6.468 -21.492 1.00 0.00 O ATOM 0 H GLU A 46 12.038 -1.851 -22.771 1.00 0.00 H new ATOM 0 HA GLU A 46 14.361 -3.409 -23.544 1.00 0.00 H new ATOM 0 HB2 GLU A 46 14.428 -4.035 -21.356 1.00 0.00 H new ATOM 0 HB3 GLU A 46 13.610 -2.493 -21.202 1.00 0.00 H new ATOM 0 HG2 GLU A 46 12.187 -3.710 -19.919 1.00 0.00 H new ATOM 0 HG3 GLU A 46 11.440 -4.054 -21.467 1.00 0.00 H new ATOM 634 N GLU A 47 11.363 -4.435 -24.059 1.00 0.00 N ATOM 635 CA GLU A 47 10.539 -5.495 -24.630 1.00 0.00 C ATOM 636 C GLU A 47 10.855 -5.690 -26.110 1.00 0.00 C ATOM 637 O GLU A 47 10.249 -6.527 -26.778 1.00 0.00 O ATOM 638 CB GLU A 47 9.051 -5.166 -24.463 1.00 0.00 C ATOM 639 CG GLU A 47 8.351 -6.088 -23.492 1.00 0.00 C ATOM 640 CD GLU A 47 7.252 -6.922 -24.121 1.00 0.00 C ATOM 641 OE1 GLU A 47 6.737 -6.527 -25.188 1.00 0.00 O ATOM 642 OE2 GLU A 47 6.903 -7.973 -23.541 1.00 0.00 O ATOM 0 H GLU A 47 10.896 -3.531 -23.992 1.00 0.00 H new ATOM 0 HA GLU A 47 10.765 -6.418 -24.097 1.00 0.00 H new ATOM 0 HB2 GLU A 47 8.948 -4.137 -24.118 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.559 -5.228 -25.434 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.088 -6.754 -23.043 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.925 -5.493 -22.684 1.00 0.00 H new ATOM 649 N ASN A 48 11.804 -4.907 -26.620 1.00 0.00 N ATOM 650 CA ASN A 48 12.193 -4.983 -28.012 1.00 0.00 C ATOM 651 C ASN A 48 13.336 -5.973 -28.224 1.00 0.00 C ATOM 652 O ASN A 48 13.682 -6.292 -29.361 1.00 0.00 O ATOM 653 CB ASN A 48 12.597 -3.600 -28.517 1.00 0.00 C ATOM 654 CG ASN A 48 12.747 -3.560 -30.024 1.00 0.00 C ATOM 655 OD1 ASN A 48 12.447 -4.533 -30.714 1.00 0.00 O ATOM 656 ND2 ASN A 48 13.215 -2.431 -30.543 1.00 0.00 N ATOM 0 H ASN A 48 12.316 -4.210 -26.079 1.00 0.00 H new ATOM 0 HA ASN A 48 11.334 -5.341 -28.580 1.00 0.00 H new ATOM 0 HB2 ASN A 48 11.848 -2.870 -28.209 1.00 0.00 H new ATOM 0 HB3 ASN A 48 13.538 -3.307 -28.052 1.00 0.00 H new ATOM 0 HD21 ASN A 48 13.338 -2.346 -31.552 1.00 0.00 H new ATOM 0 HD22 ASN A 48 13.451 -1.649 -29.933 1.00 0.00 H new ATOM 663 N TYR A 49 13.916 -6.468 -27.130 1.00 0.00 N ATOM 664 CA TYR A 49 15.010 -7.429 -27.227 1.00 0.00 C ATOM 665 C TYR A 49 14.476 -8.796 -27.640 1.00 0.00 C ATOM 666 O TYR A 49 14.571 -9.183 -28.805 1.00 0.00 O ATOM 667 CB TYR A 49 15.765 -7.531 -25.900 1.00 0.00 C ATOM 668 CG TYR A 49 16.579 -6.299 -25.573 1.00 0.00 C ATOM 669 CD1 TYR A 49 15.981 -5.189 -24.998 1.00 0.00 C ATOM 670 CD2 TYR A 49 17.940 -6.247 -25.845 1.00 0.00 C ATOM 671 CE1 TYR A 49 16.713 -4.059 -24.699 1.00 0.00 C ATOM 672 CE2 TYR A 49 18.681 -5.118 -25.550 1.00 0.00 C ATOM 673 CZ TYR A 49 18.063 -4.027 -24.976 1.00 0.00 C ATOM 674 OH TYR A 49 18.798 -2.900 -24.683 1.00 0.00 O ATOM 0 H TYR A 49 13.649 -6.221 -26.177 1.00 0.00 H new ATOM 0 HA TYR A 49 15.707 -7.079 -27.989 1.00 0.00 H new ATOM 0 HB2 TYR A 49 15.050 -7.708 -25.097 1.00 0.00 H new ATOM 0 HB3 TYR A 49 16.427 -8.396 -25.933 1.00 0.00 H new ATOM 0 HD1 TYR A 49 14.923 -5.209 -24.780 1.00 0.00 H new ATOM 0 HD2 TYR A 49 18.426 -7.101 -26.293 1.00 0.00 H new ATOM 0 HE1 TYR A 49 16.231 -3.203 -24.250 1.00 0.00 H new ATOM 0 HE2 TYR A 49 19.738 -5.090 -25.768 1.00 0.00 H new ATOM 0 HH TYR A 49 19.733 -3.043 -24.940 1.00 0.00 H new ATOM 684 N LEU A 50 13.910 -9.525 -26.681 1.00 0.00 N ATOM 685 CA LEU A 50 13.357 -10.848 -26.949 1.00 0.00 C ATOM 686 C LEU A 50 11.983 -11.008 -26.286 1.00 0.00 C ATOM 687 O LEU A 50 11.889 -11.287 -25.090 1.00 0.00 O ATOM 688 CB LEU A 50 14.317 -11.934 -26.452 1.00 0.00 C ATOM 689 CG LEU A 50 14.842 -12.879 -27.537 1.00 0.00 C ATOM 690 CD1 LEU A 50 16.272 -12.519 -27.917 1.00 0.00 C ATOM 691 CD2 LEU A 50 14.755 -14.329 -27.076 1.00 0.00 C ATOM 0 H LEU A 50 13.823 -9.221 -25.711 1.00 0.00 H new ATOM 0 HA LEU A 50 13.231 -10.956 -28.026 1.00 0.00 H new ATOM 0 HB2 LEU A 50 15.167 -11.453 -25.968 1.00 0.00 H new ATOM 0 HB3 LEU A 50 13.809 -12.526 -25.690 1.00 0.00 H new ATOM 0 HG LEU A 50 14.215 -12.765 -28.422 1.00 0.00 H new ATOM 0 HD11 LEU A 50 16.626 -13.202 -28.689 1.00 0.00 H new ATOM 0 HD12 LEU A 50 16.302 -11.497 -28.295 1.00 0.00 H new ATOM 0 HD13 LEU A 50 16.913 -12.600 -27.039 1.00 0.00 H new ATOM 0 HD21 LEU A 50 15.133 -14.984 -27.861 1.00 0.00 H new ATOM 0 HD22 LEU A 50 15.353 -14.461 -26.175 1.00 0.00 H new ATOM 0 HD23 LEU A 50 13.716 -14.581 -26.862 1.00 0.00 H new ATOM 703 N PRO A 51 10.896 -10.822 -27.060 1.00 0.00 N ATOM 704 CA PRO A 51 9.523 -10.935 -26.553 1.00 0.00 C ATOM 705 C PRO A 51 9.313 -12.146 -25.651 1.00 0.00 C ATOM 706 O PRO A 51 9.222 -13.280 -26.124 1.00 0.00 O ATOM 707 CB PRO A 51 8.709 -11.075 -27.832 1.00 0.00 C ATOM 708 CG PRO A 51 9.455 -10.238 -28.800 1.00 0.00 C ATOM 709 CD PRO A 51 10.910 -10.473 -28.494 1.00 0.00 C ATOM 0 HA PRO A 51 9.247 -10.085 -25.929 1.00 0.00 H new ATOM 0 HB2 PRO A 51 8.649 -12.113 -28.160 1.00 0.00 H new ATOM 0 HB3 PRO A 51 7.686 -10.723 -27.699 1.00 0.00 H new ATOM 0 HG2 PRO A 51 9.219 -10.519 -29.826 1.00 0.00 H new ATOM 0 HG3 PRO A 51 9.196 -9.185 -28.691 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.325 -11.278 -29.101 1.00 0.00 H new ATOM 0 HD3 PRO A 51 11.512 -9.585 -28.687 1.00 0.00 H new ATOM 717 N SER A 52 9.229 -11.895 -24.353 1.00 0.00 N ATOM 718 CA SER A 52 9.024 -12.954 -23.381 1.00 0.00 C ATOM 719 C SER A 52 7.532 -13.138 -23.111 1.00 0.00 C ATOM 720 O SER A 52 6.699 -12.429 -23.677 1.00 0.00 O ATOM 721 CB SER A 52 9.773 -12.618 -22.091 1.00 0.00 C ATOM 722 OG SER A 52 11.049 -13.240 -22.062 1.00 0.00 O ATOM 0 H SER A 52 9.300 -10.961 -23.949 1.00 0.00 H new ATOM 0 HA SER A 52 9.415 -13.891 -23.778 1.00 0.00 H new ATOM 0 HB2 SER A 52 9.890 -11.538 -22.006 1.00 0.00 H new ATOM 0 HB3 SER A 52 9.187 -12.944 -21.232 1.00 0.00 H new ATOM 0 HG SER A 52 11.507 -13.007 -21.228 1.00 0.00 H new ATOM 728 N PRO A 53 7.171 -14.097 -22.251 1.00 0.00 N ATOM 729 CA PRO A 53 5.781 -14.379 -21.915 1.00 0.00 C ATOM 730 C PRO A 53 5.283 -13.499 -20.769 1.00 0.00 C ATOM 731 O PRO A 53 6.025 -13.225 -19.826 1.00 0.00 O ATOM 732 CB PRO A 53 5.819 -15.851 -21.480 1.00 0.00 C ATOM 733 CG PRO A 53 7.267 -16.253 -21.440 1.00 0.00 C ATOM 734 CD PRO A 53 8.076 -14.997 -21.544 1.00 0.00 C ATOM 0 HA PRO A 53 5.105 -14.183 -22.747 1.00 0.00 H new ATOM 0 HB2 PRO A 53 5.355 -15.977 -20.502 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.263 -16.476 -22.179 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.494 -16.782 -20.515 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.501 -16.931 -22.261 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.351 -14.609 -20.563 1.00 0.00 H new ATOM 0 HD3 PRO A 53 9.003 -15.156 -22.095 1.00 0.00 H new ATOM 742 N CYS A 54 4.031 -13.047 -20.864 1.00 0.00 N ATOM 743 CA CYS A 54 3.433 -12.184 -19.858 1.00 0.00 C ATOM 744 C CYS A 54 2.484 -12.959 -18.938 1.00 0.00 C ATOM 745 O CYS A 54 1.386 -13.337 -19.344 1.00 0.00 O ATOM 746 CB CYS A 54 2.678 -11.044 -20.557 1.00 0.00 C ATOM 747 SG CYS A 54 1.609 -10.042 -19.470 1.00 0.00 S ATOM 0 H CYS A 54 3.409 -13.271 -21.641 1.00 0.00 H new ATOM 0 HA CYS A 54 4.230 -11.777 -19.235 1.00 0.00 H new ATOM 0 HB2 CYS A 54 3.405 -10.386 -21.033 1.00 0.00 H new ATOM 0 HB3 CYS A 54 2.065 -11.469 -21.352 1.00 0.00 H new ATOM 752 N GLN A 55 2.915 -13.187 -17.697 1.00 0.00 N ATOM 753 CA GLN A 55 2.101 -13.906 -16.713 1.00 0.00 C ATOM 754 C GLN A 55 0.656 -13.389 -16.686 1.00 0.00 C ATOM 755 O GLN A 55 -0.210 -13.930 -17.376 1.00 0.00 O ATOM 756 CB GLN A 55 2.734 -13.785 -15.322 1.00 0.00 C ATOM 757 CG GLN A 55 1.934 -14.451 -14.204 1.00 0.00 C ATOM 758 CD GLN A 55 2.459 -14.136 -12.802 1.00 0.00 C ATOM 759 OE1 GLN A 55 1.750 -13.536 -11.996 1.00 0.00 O ATOM 760 NE2 GLN A 55 3.698 -14.528 -12.495 1.00 0.00 N ATOM 0 H GLN A 55 3.824 -12.884 -17.348 1.00 0.00 H new ATOM 0 HA GLN A 55 2.070 -14.955 -17.006 1.00 0.00 H new ATOM 0 HB2 GLN A 55 3.731 -14.225 -15.350 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.858 -12.729 -15.084 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.894 -14.132 -14.273 1.00 0.00 H new ATOM 0 HG3 GLN A 55 1.947 -15.531 -14.353 1.00 0.00 H new ATOM 0 HE21 GLN A 55 4.262 -15.024 -13.185 1.00 0.00 H new ATOM 0 HE22 GLN A 55 4.081 -14.331 -11.570 1.00 0.00 H new ATOM 769 N SER A 56 0.398 -12.345 -15.890 1.00 0.00 N ATOM 770 CA SER A 56 -0.945 -11.772 -15.773 1.00 0.00 C ATOM 771 C SER A 56 -0.968 -10.643 -14.736 1.00 0.00 C ATOM 772 O SER A 56 0.072 -10.259 -14.201 1.00 0.00 O ATOM 773 CB SER A 56 -1.945 -12.876 -15.384 1.00 0.00 C ATOM 774 OG SER A 56 -3.294 -12.426 -15.400 1.00 0.00 O ATOM 0 H SER A 56 1.103 -11.881 -15.318 1.00 0.00 H new ATOM 0 HA SER A 56 -1.231 -11.350 -16.736 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.838 -13.715 -16.071 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.702 -13.246 -14.388 1.00 0.00 H new ATOM 0 HG SER A 56 -3.888 -13.164 -15.148 1.00 0.00 H new ATOM 780 N GLY A 57 -2.162 -10.115 -14.458 1.00 0.00 N ATOM 781 CA GLY A 57 -2.300 -9.042 -13.490 1.00 0.00 C ATOM 782 C GLY A 57 -3.734 -8.746 -13.128 1.00 0.00 C ATOM 783 O GLY A 57 -4.516 -9.647 -12.822 1.00 0.00 O ATOM 0 H GLY A 57 -3.036 -10.415 -14.889 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.751 -9.305 -12.586 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.840 -8.139 -13.891 1.00 0.00 H new ATOM 787 N GLN A 58 -4.067 -7.465 -13.146 1.00 0.00 N ATOM 788 CA GLN A 58 -5.398 -7.005 -12.809 1.00 0.00 C ATOM 789 C GLN A 58 -6.423 -7.446 -13.831 1.00 0.00 C ATOM 790 O GLN A 58 -6.055 -7.857 -14.932 1.00 0.00 O ATOM 791 CB GLN A 58 -5.393 -5.513 -12.731 1.00 0.00 C ATOM 792 CG GLN A 58 -5.311 -5.017 -11.305 1.00 0.00 C ATOM 793 CD GLN A 58 -6.393 -5.593 -10.410 1.00 0.00 C ATOM 794 OE1 GLN A 58 -7.379 -6.156 -10.887 1.00 0.00 O ATOM 795 NE2 GLN A 58 -6.211 -5.458 -9.103 1.00 0.00 N ATOM 0 H GLN A 58 -3.419 -6.717 -13.395 1.00 0.00 H new ATOM 0 HA GLN A 58 -5.673 -7.442 -11.849 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -4.548 -5.124 -13.299 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -6.297 -5.123 -13.198 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.334 -5.272 -10.894 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -5.385 -3.930 -11.300 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -5.379 -4.984 -8.750 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -6.903 -5.828 -8.451 1.00 0.00 H new ATOM 804 N LYS A 59 -7.720 -7.293 -13.524 1.00 0.00 N ATOM 805 CA LYS A 59 -8.769 -7.606 -14.462 1.00 0.00 C ATOM 806 C LYS A 59 -9.126 -6.392 -15.336 1.00 0.00 C ATOM 807 O LYS A 59 -9.333 -5.291 -14.821 1.00 0.00 O ATOM 808 CB LYS A 59 -10.019 -8.071 -13.716 1.00 0.00 C ATOM 809 CG LYS A 59 -11.060 -8.702 -14.625 1.00 0.00 C ATOM 810 CD LYS A 59 -12.472 -8.402 -14.153 1.00 0.00 C ATOM 811 CE LYS A 59 -13.504 -9.029 -15.071 1.00 0.00 C ATOM 812 NZ LYS A 59 -13.751 -10.457 -14.730 1.00 0.00 N ATOM 0 H LYS A 59 -8.053 -6.951 -12.623 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.403 -8.403 -15.109 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -9.730 -8.791 -12.951 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.464 -7.220 -13.201 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -10.929 -8.330 -15.641 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -10.909 -9.781 -14.658 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.607 -8.779 -13.139 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -12.624 -7.323 -14.115 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -14.438 -8.472 -15.002 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.164 -8.955 -16.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.462 -10.851 -15.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.865 -10.994 -14.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -14.099 -10.525 -13.752 1.00 0.00 H new ATOM 826 N PRO A 60 -9.205 -6.568 -16.651 1.00 0.00 N ATOM 827 CA PRO A 60 -9.565 -5.498 -17.573 1.00 0.00 C ATOM 828 C PRO A 60 -10.765 -4.663 -17.089 1.00 0.00 C ATOM 829 O PRO A 60 -11.494 -5.076 -16.186 1.00 0.00 O ATOM 830 CB PRO A 60 -9.953 -6.259 -18.839 1.00 0.00 C ATOM 831 CG PRO A 60 -9.122 -7.494 -18.800 1.00 0.00 C ATOM 832 CD PRO A 60 -8.919 -7.823 -17.344 1.00 0.00 C ATOM 0 HA PRO A 60 -8.751 -4.783 -17.695 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -11.017 -6.496 -18.849 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -9.749 -5.671 -19.734 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -9.620 -8.314 -19.318 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -8.166 -7.335 -19.299 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -9.588 -8.619 -17.018 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -7.901 -8.162 -17.150 1.00 0.00 H new ATOM 840 N CYS A 61 -10.977 -3.501 -17.719 1.00 0.00 N ATOM 841 CA CYS A 61 -12.108 -2.640 -17.348 1.00 0.00 C ATOM 842 C CYS A 61 -12.484 -1.589 -18.388 1.00 0.00 C ATOM 843 O CYS A 61 -11.749 -1.312 -19.340 1.00 0.00 O ATOM 844 CB CYS A 61 -11.903 -1.968 -15.992 1.00 0.00 C ATOM 845 SG CYS A 61 -10.289 -1.152 -15.767 1.00 0.00 S ATOM 0 H CYS A 61 -10.393 -3.140 -18.474 1.00 0.00 H new ATOM 0 HA CYS A 61 -12.947 -3.333 -17.289 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -12.690 -1.227 -15.849 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -12.025 -2.718 -15.211 1.00 0.00 H new ATOM 850 N GLY A 62 -13.680 -1.040 -18.190 1.00 0.00 N ATOM 851 CA GLY A 62 -14.284 -0.062 -19.069 1.00 0.00 C ATOM 852 C GLY A 62 -14.092 1.395 -18.674 1.00 0.00 C ATOM 853 O GLY A 62 -14.944 2.238 -18.953 1.00 0.00 O ATOM 0 H GLY A 62 -14.266 -1.275 -17.389 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -13.879 -0.203 -20.071 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -15.353 -0.265 -19.126 1.00 0.00 H new ATOM 857 N SER A 63 -12.932 1.704 -18.126 1.00 0.00 N ATOM 858 CA SER A 63 -12.574 3.054 -17.812 1.00 0.00 C ATOM 859 C SER A 63 -11.339 3.419 -18.642 1.00 0.00 C ATOM 860 O SER A 63 -10.479 4.188 -18.214 1.00 0.00 O ATOM 861 CB SER A 63 -12.315 3.207 -16.318 1.00 0.00 C ATOM 862 OG SER A 63 -12.418 4.560 -15.904 1.00 0.00 O ATOM 0 H SER A 63 -12.217 1.016 -17.890 1.00 0.00 H new ATOM 0 HA SER A 63 -13.390 3.733 -18.058 1.00 0.00 H new ATOM 0 HB2 SER A 63 -13.029 2.600 -15.761 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.321 2.828 -16.080 1.00 0.00 H new ATOM 0 HG SER A 63 -11.760 4.738 -15.200 1.00 0.00 H new ATOM 868 N GLY A 64 -11.282 2.835 -19.851 1.00 0.00 N ATOM 869 CA GLY A 64 -10.189 3.064 -20.782 1.00 0.00 C ATOM 870 C GLY A 64 -9.206 1.897 -20.908 1.00 0.00 C ATOM 871 O GLY A 64 -8.216 2.001 -21.629 1.00 0.00 O ATOM 0 H GLY A 64 -11.995 2.195 -20.200 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.606 3.279 -21.766 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.641 3.952 -20.467 1.00 0.00 H new ATOM 875 N GLY A 65 -9.463 0.810 -20.184 1.00 0.00 N ATOM 876 CA GLY A 65 -8.582 -0.336 -20.205 1.00 0.00 C ATOM 877 C GLY A 65 -8.691 -1.224 -19.000 1.00 0.00 C ATOM 878 O GLY A 65 -9.778 -1.498 -18.518 1.00 0.00 O ATOM 0 H GLY A 65 -10.277 0.707 -19.578 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -8.795 -0.926 -21.096 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.553 0.013 -20.292 1.00 0.00 H new ATOM 882 N ARG A 66 -7.563 -1.766 -18.586 1.00 0.00 N ATOM 883 CA ARG A 66 -7.565 -2.720 -17.499 1.00 0.00 C ATOM 884 C ARG A 66 -7.333 -2.027 -16.169 1.00 0.00 C ATOM 885 O ARG A 66 -7.185 -0.817 -16.122 1.00 0.00 O ATOM 886 CB ARG A 66 -6.490 -3.805 -17.707 1.00 0.00 C ATOM 887 CG ARG A 66 -6.216 -4.166 -19.165 1.00 0.00 C ATOM 888 CD ARG A 66 -7.482 -4.624 -19.857 1.00 0.00 C ATOM 889 NE ARG A 66 -7.226 -5.380 -21.077 1.00 0.00 N ATOM 890 CZ ARG A 66 -6.796 -4.836 -22.205 1.00 0.00 C ATOM 891 NH1 ARG A 66 -6.572 -3.531 -22.275 1.00 0.00 N ATOM 892 NH2 ARG A 66 -6.603 -5.599 -23.271 1.00 0.00 N ATOM 0 H ARG A 66 -6.644 -1.565 -18.981 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.546 -3.195 -17.487 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -5.560 -3.467 -17.250 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.796 -4.706 -17.176 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -5.805 -3.302 -19.686 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.465 -4.955 -19.213 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -8.062 -5.240 -19.170 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.093 -3.754 -20.097 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.388 -6.387 -21.061 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.731 -2.942 -21.458 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -6.241 -3.116 -23.146 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -6.786 -6.601 -23.221 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -6.272 -5.184 -24.142 1.00 0.00 H new ATOM 906 N CYS A 67 -7.241 -2.800 -15.094 1.00 0.00 N ATOM 907 CA CYS A 67 -6.975 -2.247 -13.783 1.00 0.00 C ATOM 908 C CYS A 67 -5.466 -1.987 -13.634 1.00 0.00 C ATOM 909 O CYS A 67 -4.786 -2.538 -12.769 1.00 0.00 O ATOM 910 CB CYS A 67 -7.575 -3.191 -12.724 1.00 0.00 C ATOM 911 SG CYS A 67 -7.438 -2.682 -10.981 1.00 0.00 S ATOM 0 H CYS A 67 -7.348 -3.814 -15.110 1.00 0.00 H new ATOM 0 HA CYS A 67 -7.453 -1.278 -13.641 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -8.632 -3.328 -12.954 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -7.097 -4.165 -12.830 1.00 0.00 H new ATOM 916 N ALA A 68 -4.962 -1.185 -14.565 1.00 0.00 N ATOM 917 CA ALA A 68 -3.545 -0.845 -14.691 1.00 0.00 C ATOM 918 C ALA A 68 -2.734 -0.692 -13.393 1.00 0.00 C ATOM 919 O ALA A 68 -1.757 -1.423 -13.233 1.00 0.00 O ATOM 920 CB ALA A 68 -3.378 0.383 -15.560 1.00 0.00 C ATOM 0 H ALA A 68 -5.543 -0.739 -15.275 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.112 -1.731 -15.156 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.319 0.626 -15.646 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.787 0.186 -16.551 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.908 1.222 -15.109 1.00 0.00 H new ATOM 926 N ALA A 69 -3.034 0.255 -12.473 1.00 0.00 N ATOM 927 CA ALA A 69 -2.199 0.421 -11.275 1.00 0.00 C ATOM 928 C ALA A 69 -2.889 1.301 -10.239 1.00 0.00 C ATOM 929 O ALA A 69 -3.561 2.268 -10.594 1.00 0.00 O ATOM 930 CB ALA A 69 -0.887 1.082 -11.624 1.00 0.00 C ATOM 0 H ALA A 69 -3.825 0.895 -12.538 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.031 -0.577 -10.869 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.285 1.195 -10.722 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.349 0.466 -12.344 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.078 2.064 -12.058 1.00 0.00 H new ATOM 936 N ALA A 70 -2.729 0.925 -8.966 1.00 0.00 N ATOM 937 CA ALA A 70 -3.377 1.646 -7.856 1.00 0.00 C ATOM 938 C ALA A 70 -4.639 2.259 -8.373 1.00 0.00 C ATOM 939 O ALA A 70 -4.964 3.405 -8.072 1.00 0.00 O ATOM 940 CB ALA A 70 -2.521 2.761 -7.310 1.00 0.00 C ATOM 0 H ALA A 70 -2.160 0.130 -8.675 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.555 0.928 -7.055 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -3.047 3.258 -6.495 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.582 2.350 -6.939 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.314 3.482 -8.101 1.00 0.00 H new ATOM 946 N GLY A 71 -5.312 1.516 -9.203 1.00 0.00 N ATOM 947 CA GLY A 71 -6.469 2.029 -9.797 1.00 0.00 C ATOM 948 C GLY A 71 -6.147 2.904 -10.973 1.00 0.00 C ATOM 949 O GLY A 71 -6.105 4.126 -10.889 1.00 0.00 O ATOM 0 H GLY A 71 -5.066 0.563 -9.470 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.108 1.207 -10.119 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.033 2.602 -9.061 1.00 0.00 H new ATOM 953 N ILE A 72 -5.968 2.252 -12.081 1.00 0.00 N ATOM 954 CA ILE A 72 -5.713 2.898 -13.314 1.00 0.00 C ATOM 955 C ILE A 72 -6.301 2.040 -14.385 1.00 0.00 C ATOM 956 O ILE A 72 -5.728 1.034 -14.777 1.00 0.00 O ATOM 957 CB ILE A 72 -4.217 3.146 -13.625 1.00 0.00 C ATOM 958 CG1 ILE A 72 -3.646 4.261 -12.767 1.00 0.00 C ATOM 959 CG2 ILE A 72 -4.039 3.499 -15.087 1.00 0.00 C ATOM 960 CD1 ILE A 72 -3.796 5.630 -13.395 1.00 0.00 C ATOM 0 H ILE A 72 -5.997 1.234 -12.145 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.160 3.891 -13.260 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.678 2.226 -13.398 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -4.144 4.256 -11.797 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.589 4.066 -12.584 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.983 3.671 -15.294 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.401 2.678 -15.706 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.605 4.402 -15.315 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.369 6.383 -12.733 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.275 5.650 -14.352 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -4.853 5.844 -13.553 1.00 0.00 H new ATOM 972 N CYS A 73 -7.454 2.420 -14.855 1.00 0.00 N ATOM 973 CA CYS A 73 -8.062 1.677 -15.890 1.00 0.00 C ATOM 974 C CYS A 73 -7.450 2.259 -17.138 1.00 0.00 C ATOM 975 O CYS A 73 -7.816 3.354 -17.580 1.00 0.00 O ATOM 976 CB CYS A 73 -9.576 1.786 -15.841 1.00 0.00 C ATOM 977 SG CYS A 73 -10.428 0.553 -16.863 1.00 0.00 S ATOM 0 H CYS A 73 -7.978 3.234 -14.534 1.00 0.00 H new ATOM 0 HA CYS A 73 -7.887 0.603 -15.822 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -9.906 1.679 -14.808 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -9.871 2.783 -16.169 1.00 0.00 H new ATOM 982 N CYS A 74 -6.382 1.613 -17.587 1.00 0.00 N ATOM 983 CA CYS A 74 -5.589 2.157 -18.666 1.00 0.00 C ATOM 984 C CYS A 74 -5.212 1.187 -19.778 1.00 0.00 C ATOM 985 O CYS A 74 -4.861 0.028 -19.549 1.00 0.00 O ATOM 986 CB CYS A 74 -4.282 2.644 -18.067 1.00 0.00 C ATOM 987 SG CYS A 74 -2.947 2.888 -19.297 1.00 0.00 S ATOM 0 H CYS A 74 -6.052 0.720 -17.221 1.00 0.00 H new ATOM 0 HA CYS A 74 -6.211 2.927 -19.123 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -4.460 3.585 -17.547 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -3.947 1.926 -17.319 1.00 0.00 H new ATOM 992 N SER A 75 -5.216 1.743 -20.978 1.00 0.00 N ATOM 993 CA SER A 75 -4.797 1.021 -22.163 1.00 0.00 C ATOM 994 C SER A 75 -3.692 1.832 -22.855 1.00 0.00 C ATOM 995 O SER A 75 -2.853 2.403 -22.161 1.00 0.00 O ATOM 996 CB SER A 75 -6.014 0.840 -23.067 1.00 0.00 C ATOM 997 OG SER A 75 -7.035 0.115 -22.405 1.00 0.00 O ATOM 0 H SER A 75 -5.509 2.704 -21.156 1.00 0.00 H new ATOM 0 HA SER A 75 -4.399 0.036 -21.919 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.394 1.815 -23.371 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.721 0.315 -23.976 1.00 0.00 H new ATOM 0 HG SER A 75 -7.856 0.650 -22.384 1.00 0.00 H new ATOM 1003 N PRO A 76 -3.670 1.980 -24.198 1.00 0.00 N ATOM 1004 CA PRO A 76 -2.677 2.810 -24.847 1.00 0.00 C ATOM 1005 C PRO A 76 -3.243 4.217 -25.006 1.00 0.00 C ATOM 1006 O PRO A 76 -2.526 5.216 -24.969 1.00 0.00 O ATOM 1007 CB PRO A 76 -2.486 2.146 -26.209 1.00 0.00 C ATOM 1008 CG PRO A 76 -3.671 1.253 -26.415 1.00 0.00 C ATOM 1009 CD PRO A 76 -4.566 1.386 -25.208 1.00 0.00 C ATOM 0 HA PRO A 76 -1.740 2.896 -24.296 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -2.421 2.894 -27.000 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -1.559 1.573 -26.235 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -4.208 1.534 -27.321 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -3.352 0.218 -26.541 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -5.426 2.024 -25.411 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -4.955 0.420 -24.885 1.00 0.00 H new ATOM 1017 N ASP A 77 -4.555 4.244 -25.205 1.00 0.00 N ATOM 1018 CA ASP A 77 -5.359 5.466 -25.407 1.00 0.00 C ATOM 1019 C ASP A 77 -5.113 6.417 -24.283 1.00 0.00 C ATOM 1020 O ASP A 77 -4.705 7.557 -24.499 1.00 0.00 O ATOM 1021 CB ASP A 77 -6.845 5.114 -25.471 1.00 0.00 C ATOM 1022 CG ASP A 77 -7.454 5.396 -26.830 1.00 0.00 C ATOM 1023 OD1 ASP A 77 -7.554 6.585 -27.200 1.00 0.00 O ATOM 1024 OD2 ASP A 77 -7.832 4.428 -27.523 1.00 0.00 O ATOM 0 H ASP A 77 -5.117 3.393 -25.233 1.00 0.00 H new ATOM 0 HA ASP A 77 -5.067 5.933 -26.348 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.975 4.059 -25.231 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -7.382 5.682 -24.712 1.00 0.00 H new ATOM 1029 N GLY A 78 -5.241 5.910 -23.061 1.00 0.00 N ATOM 1030 CA GLY A 78 -4.895 6.708 -21.911 1.00 0.00 C ATOM 1031 C GLY A 78 -5.075 5.977 -20.611 1.00 0.00 C ATOM 1032 O GLY A 78 -5.892 5.058 -20.521 1.00 0.00 O ATOM 0 H GLY A 78 -5.575 4.969 -22.853 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -3.858 7.031 -21.999 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -5.509 7.608 -21.903 1.00 0.00 H new ATOM 1036 N CYS A 79 -4.368 6.395 -19.583 1.00 0.00 N ATOM 1037 CA CYS A 79 -4.539 5.776 -18.286 1.00 0.00 C ATOM 1038 C CYS A 79 -5.244 6.718 -17.359 1.00 0.00 C ATOM 1039 O CYS A 79 -5.055 7.934 -17.416 1.00 0.00 O ATOM 1040 CB CYS A 79 -3.229 5.381 -17.639 1.00 0.00 C ATOM 1041 SG CYS A 79 -2.032 4.616 -18.765 1.00 0.00 S ATOM 0 H CYS A 79 -3.681 7.148 -19.617 1.00 0.00 H new ATOM 0 HA CYS A 79 -5.122 4.871 -18.457 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -2.776 6.268 -17.196 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.436 4.688 -16.824 1.00 0.00 H new ATOM 1046 N GLU A 80 -6.075 6.169 -16.518 1.00 0.00 N ATOM 1047 CA GLU A 80 -6.826 6.999 -15.597 1.00 0.00 C ATOM 1048 C GLU A 80 -7.246 6.263 -14.337 1.00 0.00 C ATOM 1049 O GLU A 80 -7.659 5.105 -14.382 1.00 0.00 O ATOM 1050 CB GLU A 80 -8.055 7.586 -16.288 1.00 0.00 C ATOM 1051 CG GLU A 80 -9.145 6.565 -16.574 1.00 0.00 C ATOM 1052 CD GLU A 80 -10.364 6.772 -15.700 1.00 0.00 C ATOM 1053 OE1 GLU A 80 -11.140 7.710 -15.978 1.00 0.00 O ATOM 1054 OE2 GLU A 80 -10.543 5.998 -14.736 1.00 0.00 O ATOM 0 H GLU A 80 -6.253 5.167 -16.445 1.00 0.00 H new ATOM 0 HA GLU A 80 -6.155 7.801 -15.290 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -8.467 8.379 -15.664 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -7.747 8.047 -17.226 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -9.436 6.630 -17.622 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.751 5.561 -16.414 1.00 0.00 H new ATOM 1061 N GLU A 81 -7.135 6.960 -13.212 1.00 0.00 N ATOM 1062 CA GLU A 81 -7.490 6.412 -11.924 1.00 0.00 C ATOM 1063 C GLU A 81 -8.928 5.928 -11.930 1.00 0.00 C ATOM 1064 O GLU A 81 -9.867 6.715 -12.027 1.00 0.00 O ATOM 1065 CB GLU A 81 -7.275 7.456 -10.827 1.00 0.00 C ATOM 1066 CG GLU A 81 -7.664 8.867 -11.224 1.00 0.00 C ATOM 1067 CD GLU A 81 -8.764 9.443 -10.359 1.00 0.00 C ATOM 1068 OE1 GLU A 81 -8.798 9.125 -9.152 1.00 0.00 O ATOM 1069 OE2 GLU A 81 -9.587 10.219 -10.888 1.00 0.00 O ATOM 0 H GLU A 81 -6.795 7.921 -13.175 1.00 0.00 H new ATOM 0 HA GLU A 81 -6.845 5.558 -11.719 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -7.851 7.166 -9.948 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -6.225 7.449 -10.536 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -6.787 9.511 -11.163 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -7.989 8.869 -12.264 1.00 0.00 H new ATOM 1076 N ASP A 82 -9.081 4.613 -11.827 1.00 0.00 N ATOM 1077 CA ASP A 82 -10.385 3.992 -11.832 1.00 0.00 C ATOM 1078 C ASP A 82 -10.724 3.377 -10.469 1.00 0.00 C ATOM 1079 O ASP A 82 -10.018 2.499 -9.983 1.00 0.00 O ATOM 1080 CB ASP A 82 -10.454 2.942 -12.953 1.00 0.00 C ATOM 1081 CG ASP A 82 -9.370 1.912 -12.861 1.00 0.00 C ATOM 1082 OD1 ASP A 82 -8.253 2.262 -12.454 1.00 0.00 O ATOM 1083 OD2 ASP A 82 -9.641 0.743 -13.210 1.00 0.00 O ATOM 0 H ASP A 82 -8.305 3.957 -11.738 1.00 0.00 H new ATOM 0 HA ASP A 82 -11.134 4.761 -12.024 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -11.423 2.445 -12.918 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -10.388 3.445 -13.918 1.00 0.00 H new ATOM 1088 N PRO A 83 -11.826 3.845 -9.847 1.00 0.00 N ATOM 1089 CA PRO A 83 -12.299 3.351 -8.560 1.00 0.00 C ATOM 1090 C PRO A 83 -12.615 1.896 -8.656 1.00 0.00 C ATOM 1091 O PRO A 83 -12.607 1.150 -7.680 1.00 0.00 O ATOM 1092 CB PRO A 83 -13.582 4.148 -8.314 1.00 0.00 C ATOM 1093 CG PRO A 83 -13.435 5.349 -9.154 1.00 0.00 C ATOM 1094 CD PRO A 83 -12.697 4.884 -10.371 1.00 0.00 C ATOM 0 HA PRO A 83 -11.564 3.468 -7.763 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -14.466 3.574 -8.593 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -13.691 4.410 -7.262 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -14.406 5.767 -9.418 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -12.882 6.130 -8.632 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -13.375 4.497 -11.131 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -12.129 5.692 -10.832 1.00 0.00 H new ATOM 1102 N ALA A 84 -12.829 1.509 -9.881 1.00 0.00 N ATOM 1103 CA ALA A 84 -13.080 0.154 -10.219 1.00 0.00 C ATOM 1104 C ALA A 84 -11.812 -0.637 -9.973 1.00 0.00 C ATOM 1105 O ALA A 84 -11.804 -1.868 -9.918 1.00 0.00 O ATOM 1106 CB ALA A 84 -13.450 0.115 -11.684 1.00 0.00 C ATOM 0 H ALA A 84 -12.832 2.143 -10.680 1.00 0.00 H new ATOM 0 HA ALA A 84 -13.887 -0.273 -9.623 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -13.651 -0.914 -11.981 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -14.340 0.721 -11.851 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -12.626 0.510 -12.278 1.00 0.00 H new ATOM 1112 N CYS A 85 -10.734 0.118 -9.887 1.00 0.00 N ATOM 1113 CA CYS A 85 -9.419 -0.417 -9.716 1.00 0.00 C ATOM 1114 C CYS A 85 -8.761 -0.127 -8.355 1.00 0.00 C ATOM 1115 O CYS A 85 -8.123 -1.033 -7.814 1.00 0.00 O ATOM 1116 CB CYS A 85 -8.570 0.107 -10.844 1.00 0.00 C ATOM 1117 SG CYS A 85 -6.968 -0.731 -11.074 1.00 0.00 S ATOM 0 H CYS A 85 -10.760 1.136 -9.936 1.00 0.00 H new ATOM 0 HA CYS A 85 -9.504 -1.503 -9.735 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -9.138 0.028 -11.771 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -8.385 1.168 -10.674 1.00 0.00 H new ATOM 1122 N ASP A 86 -8.861 1.111 -7.791 1.00 0.00 N ATOM 1123 CA ASP A 86 -8.166 1.369 -6.492 1.00 0.00 C ATOM 1124 C ASP A 86 -7.940 2.835 -6.011 1.00 0.00 C ATOM 1125 O ASP A 86 -7.629 3.018 -4.833 1.00 0.00 O ATOM 1126 CB ASP A 86 -6.751 0.843 -6.615 1.00 0.00 C ATOM 1127 CG ASP A 86 -6.078 0.617 -5.275 1.00 0.00 C ATOM 1128 OD1 ASP A 86 -6.801 0.399 -4.280 1.00 0.00 O ATOM 1129 OD2 ASP A 86 -4.833 0.663 -5.221 1.00 0.00 O ATOM 0 H ASP A 86 -9.378 1.899 -8.181 1.00 0.00 H new ATOM 0 HA ASP A 86 -8.848 0.903 -5.781 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -6.766 -0.095 -7.169 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -6.158 1.548 -7.198 1.00 0.00 H new ATOM 1134 N PRO A 87 -7.955 3.886 -6.865 1.00 0.00 N ATOM 1135 CA PRO A 87 -7.630 5.237 -6.463 1.00 0.00 C ATOM 1136 C PRO A 87 -8.836 6.069 -6.320 1.00 0.00 C ATOM 1137 O PRO A 87 -9.246 6.459 -5.229 1.00 0.00 O ATOM 1138 CB PRO A 87 -6.802 5.743 -7.626 1.00 0.00 C ATOM 1139 CG PRO A 87 -7.097 4.815 -8.740 1.00 0.00 C ATOM 1140 CD PRO A 87 -8.188 3.885 -8.272 1.00 0.00 C ATOM 0 HA PRO A 87 -7.124 5.272 -5.498 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -7.070 6.767 -7.885 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -5.739 5.743 -7.383 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -7.415 5.366 -9.625 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -6.206 4.253 -9.018 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -9.182 4.253 -8.526 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -8.096 2.889 -8.705 1.00 0.00 H new ATOM 1148 N GLU A 88 -9.470 6.279 -7.434 1.00 0.00 N ATOM 1149 CA GLU A 88 -10.698 7.009 -7.424 1.00 0.00 C ATOM 1150 C GLU A 88 -11.707 6.103 -6.708 1.00 0.00 C ATOM 1151 O GLU A 88 -12.878 6.434 -6.504 1.00 0.00 O ATOM 1152 CB GLU A 88 -11.070 7.285 -8.881 1.00 0.00 C ATOM 1153 CG GLU A 88 -12.241 8.236 -9.088 1.00 0.00 C ATOM 1154 CD GLU A 88 -11.986 9.231 -10.201 1.00 0.00 C ATOM 1155 OE1 GLU A 88 -11.883 8.800 -11.370 1.00 0.00 O ATOM 1156 OE2 GLU A 88 -11.885 10.439 -9.906 1.00 0.00 O ATOM 0 H GLU A 88 -9.160 5.959 -8.352 1.00 0.00 H new ATOM 0 HA GLU A 88 -10.655 7.969 -6.910 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -10.197 7.695 -9.390 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.305 6.337 -9.364 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -13.137 7.660 -9.318 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -12.437 8.774 -8.161 1.00 0.00 H new ATOM 1163 N ALA A 89 -11.163 4.931 -6.330 1.00 0.00 N ATOM 1164 CA ALA A 89 -11.851 3.866 -5.626 1.00 0.00 C ATOM 1165 C ALA A 89 -12.478 4.404 -4.380 1.00 0.00 C ATOM 1166 O ALA A 89 -13.636 4.827 -4.364 1.00 0.00 O ATOM 1167 CB ALA A 89 -10.823 2.794 -5.295 1.00 0.00 C ATOM 0 H ALA A 89 -10.187 4.704 -6.522 1.00 0.00 H new ATOM 0 HA ALA A 89 -12.645 3.442 -6.241 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -11.309 1.976 -4.763 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -10.381 2.416 -6.217 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -10.041 3.221 -4.667 1.00 0.00 H new ATOM 1173 N ALA A 90 -11.671 4.466 -3.371 1.00 0.00 N ATOM 1174 CA ALA A 90 -12.057 5.044 -2.127 1.00 0.00 C ATOM 1175 C ALA A 90 -11.932 6.558 -2.318 1.00 0.00 C ATOM 1176 O ALA A 90 -12.301 7.109 -3.357 1.00 0.00 O ATOM 1177 CB ALA A 90 -11.139 4.500 -1.040 1.00 0.00 C ATOM 0 H ALA A 90 -10.714 4.112 -3.389 1.00 0.00 H new ATOM 0 HA ALA A 90 -13.076 4.803 -1.824 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -11.418 4.931 -0.079 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -11.234 3.415 -0.993 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -10.107 4.764 -1.270 1.00 0.00 H new ATOM 1183 N PHE A 91 -11.226 7.175 -1.365 1.00 0.00 N ATOM 1184 CA PHE A 91 -10.847 8.562 -1.496 1.00 0.00 C ATOM 1185 C PHE A 91 -9.457 8.592 -2.177 1.00 0.00 C ATOM 1186 O PHE A 91 -8.765 9.613 -2.156 1.00 0.00 O ATOM 1187 CB PHE A 91 -10.780 9.219 -0.121 1.00 0.00 C ATOM 1188 CG PHE A 91 -10.079 8.373 0.914 1.00 0.00 C ATOM 1189 CD1 PHE A 91 -10.786 7.453 1.676 1.00 0.00 C ATOM 1190 CD2 PHE A 91 -8.713 8.492 1.118 1.00 0.00 C ATOM 1191 CE1 PHE A 91 -10.143 6.673 2.622 1.00 0.00 C ATOM 1192 CE2 PHE A 91 -8.067 7.714 2.063 1.00 0.00 C ATOM 1193 CZ PHE A 91 -8.783 6.803 2.816 1.00 0.00 C ATOM 0 H PHE A 91 -10.913 6.728 -0.503 1.00 0.00 H new ATOM 0 HA PHE A 91 -11.578 9.111 -2.090 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -10.264 10.175 -0.208 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -11.793 9.433 0.221 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -11.850 7.344 1.529 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -8.146 9.200 0.532 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -10.706 5.962 3.209 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -7.002 7.819 2.212 1.00 0.00 H new ATOM 0 HZ PHE A 91 -8.280 6.195 3.554 1.00 0.00 H new ATOM 1203 N SER A 92 -9.016 7.431 -2.679 1.00 0.00 N ATOM 1204 CA SER A 92 -7.672 7.276 -3.248 1.00 0.00 C ATOM 1205 C SER A 92 -7.505 8.007 -4.573 1.00 0.00 C ATOM 1206 O SER A 92 -8.466 8.680 -5.003 1.00 0.00 O ATOM 1207 CB SER A 92 -7.358 5.768 -3.420 1.00 0.00 C ATOM 1208 OG SER A 92 -6.107 5.559 -4.072 1.00 0.00 O ATOM 1209 OXT SER A 92 -6.408 7.917 -5.162 1.00 0.00 O ATOM 0 H SER A 92 -9.576 6.579 -2.702 1.00 0.00 H new ATOM 0 HA SER A 92 -6.965 7.729 -2.553 1.00 0.00 H new ATOM 0 HB2 SER A 92 -7.344 5.286 -2.443 1.00 0.00 H new ATOM 0 HB3 SER A 92 -8.152 5.295 -3.997 1.00 0.00 H new ATOM 0 HG SER A 92 -5.800 6.401 -4.468 1.00 0.00 H new