USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=8 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 Set 1.1: A 52 SER OG : rot -160:sc= -0.115 USER MOD Set 1.2: A 55 GLN : amide:sc= -4.86! K(o=-5!,f=-3.9) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 170:sc= -1.43! USER MOD Single : A 38 THR OG1 : rot -21:sc= 0.304 USER MOD Single : A 45 GLN : amide:sc= -0.706 K(o=-0.71,f=-0.032) USER MOD Single : A 48 ASN : amide:sc= -0.957 K(o=-0.96,f=0.36) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -53:sc= 1.25 USER MOD Single : A 58 GLN : amide:sc= -0.4 X(o=-0.4,f=-0.57) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot -100:sc= 0.79 USER MOD Single : A 75 SER OG : rot 180:sc= -0.473 USER MOD Single : A 92 SER OG : rot -40:sc= -0.881 USER MOD ----------------------------------------------------------------- ATOM 145 N CYS A 10 5.833 -12.197 -16.327 1.00 0.00 N ATOM 146 CA CYS A 10 5.645 -10.749 -16.188 1.00 0.00 C ATOM 147 C CYS A 10 6.906 -10.062 -15.636 1.00 0.00 C ATOM 148 O CYS A 10 7.512 -10.537 -14.674 1.00 0.00 O ATOM 149 CB CYS A 10 4.427 -10.480 -15.293 1.00 0.00 C ATOM 150 SG CYS A 10 2.838 -10.470 -16.203 1.00 0.00 S ATOM 0 HA CYS A 10 5.465 -10.323 -17.175 1.00 0.00 H new ATOM 0 HB2 CYS A 10 4.385 -11.240 -14.513 1.00 0.00 H new ATOM 0 HB3 CYS A 10 4.557 -9.519 -14.795 1.00 0.00 H new ATOM 155 N LEU A 11 7.311 -8.955 -16.278 1.00 0.00 N ATOM 156 CA LEU A 11 8.524 -8.220 -15.879 1.00 0.00 C ATOM 157 C LEU A 11 8.237 -6.835 -15.283 1.00 0.00 C ATOM 158 O LEU A 11 7.415 -6.068 -15.808 1.00 0.00 O ATOM 159 CB LEU A 11 9.443 -8.044 -17.086 1.00 0.00 C ATOM 160 CG LEU A 11 10.823 -7.464 -16.764 1.00 0.00 C ATOM 161 CD1 LEU A 11 11.872 -8.555 -16.810 1.00 0.00 C ATOM 162 CD2 LEU A 11 11.179 -6.338 -17.720 1.00 0.00 C ATOM 0 H LEU A 11 6.818 -8.549 -17.074 1.00 0.00 H new ATOM 0 HA LEU A 11 8.996 -8.820 -15.101 1.00 0.00 H new ATOM 0 HB2 LEU A 11 9.575 -9.012 -17.568 1.00 0.00 H new ATOM 0 HB3 LEU A 11 8.950 -7.393 -17.808 1.00 0.00 H new ATOM 0 HG LEU A 11 10.793 -7.049 -15.756 1.00 0.00 H new ATOM 0 HD11 LEU A 11 12.849 -8.130 -16.579 1.00 0.00 H new ATOM 0 HD12 LEU A 11 11.629 -9.325 -16.077 1.00 0.00 H new ATOM 0 HD13 LEU A 11 11.894 -8.996 -17.806 1.00 0.00 H new ATOM 0 HD21 LEU A 11 12.164 -5.945 -17.468 1.00 0.00 H new ATOM 0 HD22 LEU A 11 11.190 -6.718 -18.742 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.439 -5.542 -17.637 1.00 0.00 H new ATOM 174 N PRO A 12 8.936 -6.485 -14.175 1.00 0.00 N ATOM 175 CA PRO A 12 8.769 -5.192 -13.521 1.00 0.00 C ATOM 176 C PRO A 12 9.149 -3.999 -14.397 1.00 0.00 C ATOM 177 O PRO A 12 9.625 -4.148 -15.525 1.00 0.00 O ATOM 178 CB PRO A 12 9.724 -5.218 -12.327 1.00 0.00 C ATOM 179 CG PRO A 12 10.217 -6.608 -12.189 1.00 0.00 C ATOM 180 CD PRO A 12 9.933 -7.331 -13.483 1.00 0.00 C ATOM 0 HA PRO A 12 7.718 -5.061 -13.265 1.00 0.00 H new ATOM 0 HB2 PRO A 12 10.554 -4.529 -12.484 1.00 0.00 H new ATOM 0 HB3 PRO A 12 9.213 -4.899 -11.419 1.00 0.00 H new ATOM 0 HG2 PRO A 12 11.286 -6.614 -11.975 1.00 0.00 H new ATOM 0 HG3 PRO A 12 9.722 -7.108 -11.356 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.838 -7.445 -14.080 1.00 0.00 H new ATOM 0 HD3 PRO A 12 9.544 -8.332 -13.300 1.00 0.00 H new ATOM 188 N CYS A 13 8.912 -2.811 -13.842 1.00 0.00 N ATOM 189 CA CYS A 13 9.174 -1.564 -14.517 1.00 0.00 C ATOM 190 C CYS A 13 9.585 -0.477 -13.525 1.00 0.00 C ATOM 191 O CYS A 13 9.972 -0.763 -12.392 1.00 0.00 O ATOM 192 CB CYS A 13 7.913 -1.142 -15.277 1.00 0.00 C ATOM 193 SG CYS A 13 8.180 0.040 -16.632 1.00 0.00 S ATOM 0 H CYS A 13 8.530 -2.698 -12.903 1.00 0.00 H new ATOM 0 HA CYS A 13 10.000 -1.701 -15.214 1.00 0.00 H new ATOM 0 HB2 CYS A 13 7.439 -2.035 -15.684 1.00 0.00 H new ATOM 0 HB3 CYS A 13 7.211 -0.703 -14.568 1.00 0.00 H new ATOM 198 N GLY A 14 9.456 0.767 -13.954 1.00 0.00 N ATOM 199 CA GLY A 14 9.779 1.884 -13.104 1.00 0.00 C ATOM 200 C GLY A 14 11.193 1.842 -12.567 1.00 0.00 C ATOM 201 O GLY A 14 12.122 1.402 -13.246 1.00 0.00 O ATOM 0 H GLY A 14 9.130 1.022 -14.886 1.00 0.00 H new ATOM 0 HA2 GLY A 14 9.638 2.809 -13.663 1.00 0.00 H new ATOM 0 HA3 GLY A 14 9.081 1.908 -12.267 1.00 0.00 H new ATOM 205 N PRO A 15 11.370 2.327 -11.338 1.00 0.00 N ATOM 206 CA PRO A 15 12.665 2.391 -10.665 1.00 0.00 C ATOM 207 C PRO A 15 13.066 1.062 -10.018 1.00 0.00 C ATOM 208 O PRO A 15 12.804 0.829 -8.838 1.00 0.00 O ATOM 209 CB PRO A 15 12.399 3.470 -9.614 1.00 0.00 C ATOM 210 CG PRO A 15 10.992 3.231 -9.220 1.00 0.00 C ATOM 211 CD PRO A 15 10.293 2.889 -10.503 1.00 0.00 C ATOM 0 HA PRO A 15 13.494 2.605 -11.339 1.00 0.00 H new ATOM 0 HB2 PRO A 15 13.075 3.377 -8.764 1.00 0.00 H new ATOM 0 HB3 PRO A 15 12.537 4.471 -10.023 1.00 0.00 H new ATOM 0 HG2 PRO A 15 10.915 2.418 -8.498 1.00 0.00 H new ATOM 0 HG3 PRO A 15 10.555 4.114 -8.754 1.00 0.00 H new ATOM 0 HD2 PRO A 15 9.490 2.169 -10.344 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.845 3.769 -10.964 1.00 0.00 H new ATOM 219 N GLY A 16 13.709 0.197 -10.806 1.00 0.00 N ATOM 220 CA GLY A 16 14.147 -1.101 -10.306 1.00 0.00 C ATOM 221 C GLY A 16 13.233 -2.233 -10.742 1.00 0.00 C ATOM 222 O GLY A 16 13.603 -3.056 -11.579 1.00 0.00 O ATOM 0 H GLY A 16 13.935 0.373 -11.785 1.00 0.00 H new ATOM 0 HA2 GLY A 16 15.159 -1.300 -10.659 1.00 0.00 H new ATOM 0 HA3 GLY A 16 14.189 -1.072 -9.217 1.00 0.00 H new ATOM 226 N GLY A 17 12.027 -2.251 -10.188 1.00 0.00 N ATOM 227 CA GLY A 17 11.046 -3.254 -10.532 1.00 0.00 C ATOM 228 C GLY A 17 9.736 -3.037 -9.824 1.00 0.00 C ATOM 229 O GLY A 17 9.027 -3.980 -9.474 1.00 0.00 O ATOM 0 H GLY A 17 11.710 -1.574 -9.494 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.881 -3.243 -11.609 1.00 0.00 H new ATOM 0 HA3 GLY A 17 11.434 -4.241 -10.279 1.00 0.00 H new ATOM 233 N LYS A 18 9.451 -1.778 -9.582 1.00 0.00 N ATOM 234 CA LYS A 18 8.268 -1.385 -8.885 1.00 0.00 C ATOM 235 C LYS A 18 7.063 -1.760 -9.710 1.00 0.00 C ATOM 236 O LYS A 18 6.204 -2.519 -9.262 1.00 0.00 O ATOM 237 CB LYS A 18 8.328 0.119 -8.644 1.00 0.00 C ATOM 238 CG LYS A 18 8.742 0.528 -7.243 1.00 0.00 C ATOM 239 CD LYS A 18 9.730 -0.452 -6.668 1.00 0.00 C ATOM 240 CE LYS A 18 10.232 -0.007 -5.302 1.00 0.00 C ATOM 241 NZ LYS A 18 9.450 -0.617 -4.192 1.00 0.00 N ATOM 0 H LYS A 18 10.044 -0.999 -9.869 1.00 0.00 H new ATOM 0 HA LYS A 18 8.193 -1.892 -7.923 1.00 0.00 H new ATOM 0 HB2 LYS A 18 9.027 0.558 -9.356 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.347 0.545 -8.856 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.183 1.524 -7.266 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.863 0.583 -6.601 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.262 -1.433 -6.582 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.574 -0.560 -7.349 1.00 0.00 H new ATOM 0 HE2 LYS A 18 11.282 -0.278 -5.196 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.174 1.079 -5.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.826 -0.287 -3.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.452 -0.338 -4.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 9.525 -1.653 -4.243 1.00 0.00 H new ATOM 255 N GLY A 19 7.012 -1.256 -10.919 1.00 0.00 N ATOM 256 CA GLY A 19 5.923 -1.573 -11.800 1.00 0.00 C ATOM 257 C GLY A 19 6.226 -2.717 -12.744 1.00 0.00 C ATOM 258 O GLY A 19 6.980 -3.627 -12.424 1.00 0.00 O ATOM 0 H GLY A 19 7.712 -0.626 -11.312 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.046 -1.826 -11.205 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.668 -0.688 -12.383 1.00 0.00 H new ATOM 262 N ARG A 20 5.635 -2.610 -13.922 1.00 0.00 N ATOM 263 CA ARG A 20 5.802 -3.572 -14.992 1.00 0.00 C ATOM 264 C ARG A 20 5.296 -2.970 -16.306 1.00 0.00 C ATOM 265 O ARG A 20 4.753 -1.867 -16.310 1.00 0.00 O ATOM 266 CB ARG A 20 5.061 -4.846 -14.638 1.00 0.00 C ATOM 267 CG ARG A 20 3.572 -4.673 -14.667 1.00 0.00 C ATOM 268 CD ARG A 20 2.903 -5.865 -15.318 1.00 0.00 C ATOM 269 NE ARG A 20 2.325 -6.772 -14.328 1.00 0.00 N ATOM 270 CZ ARG A 20 1.020 -6.890 -14.087 1.00 0.00 C ATOM 271 NH1 ARG A 20 0.139 -6.145 -14.742 1.00 0.00 N ATOM 272 NH2 ARG A 20 0.595 -7.755 -13.178 1.00 0.00 N ATOM 0 H ARG A 20 5.015 -1.837 -14.163 1.00 0.00 H new ATOM 0 HA ARG A 20 6.856 -3.817 -15.121 1.00 0.00 H new ATOM 0 HB2 ARG A 20 5.345 -5.633 -15.336 1.00 0.00 H new ATOM 0 HB3 ARG A 20 5.366 -5.175 -13.645 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.196 -4.550 -13.651 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.318 -3.765 -15.213 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.121 -5.519 -15.994 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.631 -6.405 -15.924 1.00 0.00 H new ATOM 0 HE ARG A 20 2.964 -7.354 -13.785 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.458 -5.472 -15.439 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -0.857 -6.245 -14.548 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.266 -8.327 -12.666 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -0.403 -7.848 -12.990 1.00 0.00 H new ATOM 286 N CYS A 21 5.442 -3.694 -17.409 1.00 0.00 N ATOM 287 CA CYS A 21 4.961 -3.196 -18.710 1.00 0.00 C ATOM 288 C CYS A 21 3.655 -3.890 -19.088 1.00 0.00 C ATOM 289 O CYS A 21 3.497 -5.087 -18.853 1.00 0.00 O ATOM 290 CB CYS A 21 6.044 -3.360 -19.780 1.00 0.00 C ATOM 291 SG CYS A 21 5.686 -4.537 -21.131 1.00 0.00 S ATOM 0 H CYS A 21 5.881 -4.614 -17.439 1.00 0.00 H new ATOM 0 HA CYS A 21 4.750 -2.129 -18.635 1.00 0.00 H new ATOM 0 HB2 CYS A 21 6.237 -2.383 -20.222 1.00 0.00 H new ATOM 0 HB3 CYS A 21 6.964 -3.675 -19.288 1.00 0.00 H new ATOM 296 N PHE A 22 2.695 -3.126 -19.626 1.00 0.00 N ATOM 297 CA PHE A 22 1.376 -3.667 -19.968 1.00 0.00 C ATOM 298 C PHE A 22 1.169 -3.845 -21.476 1.00 0.00 C ATOM 299 O PHE A 22 0.120 -4.328 -21.904 1.00 0.00 O ATOM 300 CB PHE A 22 0.303 -2.728 -19.420 1.00 0.00 C ATOM 301 CG PHE A 22 0.143 -2.788 -17.930 1.00 0.00 C ATOM 302 CD1 PHE A 22 1.247 -2.918 -17.091 1.00 0.00 C ATOM 303 CD2 PHE A 22 -1.117 -2.712 -17.366 1.00 0.00 C ATOM 304 CE1 PHE A 22 1.077 -2.970 -15.720 1.00 0.00 C ATOM 305 CE2 PHE A 22 -1.281 -2.765 -15.998 1.00 0.00 C ATOM 306 CZ PHE A 22 -0.186 -2.895 -15.176 1.00 0.00 C ATOM 0 H PHE A 22 2.808 -2.134 -19.833 1.00 0.00 H new ATOM 0 HA PHE A 22 1.305 -4.658 -19.520 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.548 -1.706 -19.708 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -0.651 -2.971 -19.888 1.00 0.00 H new ATOM 0 HD1 PHE A 22 2.239 -2.978 -17.513 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.982 -2.610 -18.004 1.00 0.00 H new ATOM 0 HE1 PHE A 22 1.937 -3.070 -15.074 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -2.271 -2.704 -15.571 1.00 0.00 H new ATOM 0 HZ PHE A 22 -0.316 -2.938 -14.105 1.00 0.00 H new ATOM 316 N GLY A 23 2.175 -3.508 -22.273 1.00 0.00 N ATOM 317 CA GLY A 23 2.037 -3.707 -23.710 1.00 0.00 C ATOM 318 C GLY A 23 2.717 -2.690 -24.616 1.00 0.00 C ATOM 319 O GLY A 23 3.825 -2.933 -25.092 1.00 0.00 O ATOM 0 H GLY A 23 3.063 -3.111 -21.966 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.429 -4.694 -23.955 1.00 0.00 H new ATOM 0 HA3 GLY A 23 0.974 -3.718 -23.950 1.00 0.00 H new ATOM 323 N PRO A 24 2.045 -1.570 -24.949 1.00 0.00 N ATOM 324 CA PRO A 24 2.584 -0.580 -25.878 1.00 0.00 C ATOM 325 C PRO A 24 3.242 0.609 -25.200 1.00 0.00 C ATOM 326 O PRO A 24 2.558 1.515 -24.725 1.00 0.00 O ATOM 327 CB PRO A 24 1.320 -0.141 -26.607 1.00 0.00 C ATOM 328 CG PRO A 24 0.243 -0.196 -25.568 1.00 0.00 C ATOM 329 CD PRO A 24 0.678 -1.202 -24.520 1.00 0.00 C ATOM 0 HA PRO A 24 3.377 -0.988 -26.504 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.427 0.865 -27.014 1.00 0.00 H new ATOM 0 HB3 PRO A 24 1.096 -0.802 -27.445 1.00 0.00 H new ATOM 0 HG2 PRO A 24 0.092 0.786 -25.119 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -0.706 -0.492 -26.014 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.673 -0.769 -23.520 1.00 0.00 H new ATOM 0 HD3 PRO A 24 0.017 -2.068 -24.495 1.00 0.00 H new ATOM 337 N SER A 25 4.577 0.607 -25.155 1.00 0.00 N ATOM 338 CA SER A 25 5.317 1.701 -24.527 1.00 0.00 C ATOM 339 C SER A 25 4.715 2.042 -23.176 1.00 0.00 C ATOM 340 O SER A 25 4.885 3.147 -22.672 1.00 0.00 O ATOM 341 CB SER A 25 5.257 2.944 -25.413 1.00 0.00 C ATOM 342 OG SER A 25 6.493 3.636 -25.408 1.00 0.00 O ATOM 0 H SER A 25 5.162 -0.133 -25.543 1.00 0.00 H new ATOM 0 HA SER A 25 6.351 1.382 -24.396 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.003 2.655 -26.433 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.465 3.606 -25.063 1.00 0.00 H new ATOM 0 HG SER A 25 6.482 4.329 -26.100 1.00 0.00 H new ATOM 348 N ILE A 26 3.968 1.106 -22.618 1.00 0.00 N ATOM 349 CA ILE A 26 3.289 1.343 -21.370 1.00 0.00 C ATOM 350 C ILE A 26 3.879 0.567 -20.207 1.00 0.00 C ATOM 351 O ILE A 26 4.577 -0.434 -20.379 1.00 0.00 O ATOM 352 CB ILE A 26 1.805 0.985 -21.512 1.00 0.00 C ATOM 353 CG1 ILE A 26 0.949 1.910 -20.669 1.00 0.00 C ATOM 354 CG2 ILE A 26 1.572 -0.454 -21.110 1.00 0.00 C ATOM 355 CD1 ILE A 26 -0.531 1.723 -20.944 1.00 0.00 C ATOM 0 H ILE A 26 3.820 0.178 -23.014 1.00 0.00 H new ATOM 0 HA ILE A 26 3.414 2.402 -21.146 1.00 0.00 H new ATOM 0 HB ILE A 26 1.520 1.108 -22.557 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.148 1.726 -19.613 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.227 2.945 -20.870 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.514 -0.695 -21.216 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.159 -1.111 -21.752 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.874 -0.595 -20.072 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.106 2.405 -20.318 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.735 1.933 -21.994 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.816 0.696 -20.718 1.00 0.00 H new ATOM 367 N CYS A 27 3.567 1.058 -19.023 1.00 0.00 N ATOM 368 CA CYS A 27 4.013 0.478 -17.797 1.00 0.00 C ATOM 369 C CYS A 27 3.105 0.932 -16.661 1.00 0.00 C ATOM 370 O CYS A 27 2.524 2.016 -16.716 1.00 0.00 O ATOM 371 CB CYS A 27 5.433 0.910 -17.552 1.00 0.00 C ATOM 372 SG CYS A 27 6.667 -0.380 -17.908 1.00 0.00 S ATOM 0 H CYS A 27 2.985 1.886 -18.897 1.00 0.00 H new ATOM 0 HA CYS A 27 3.974 -0.610 -17.852 1.00 0.00 H new ATOM 0 HB2 CYS A 27 5.648 1.784 -18.167 1.00 0.00 H new ATOM 0 HB3 CYS A 27 5.534 1.219 -16.512 1.00 0.00 H new ATOM 377 N CYS A 28 2.980 0.109 -15.642 1.00 0.00 N ATOM 378 CA CYS A 28 2.137 0.432 -14.520 1.00 0.00 C ATOM 379 C CYS A 28 2.732 -0.055 -13.218 1.00 0.00 C ATOM 380 O CYS A 28 2.792 -1.258 -12.963 1.00 0.00 O ATOM 381 CB CYS A 28 0.760 -0.178 -14.723 1.00 0.00 C ATOM 382 SG CYS A 28 -0.607 0.995 -14.540 1.00 0.00 S ATOM 0 H CYS A 28 3.455 -0.791 -15.571 1.00 0.00 H new ATOM 0 HA CYS A 28 2.054 1.517 -14.461 1.00 0.00 H new ATOM 0 HB2 CYS A 28 0.714 -0.620 -15.718 1.00 0.00 H new ATOM 0 HB3 CYS A 28 0.626 -0.989 -14.008 1.00 0.00 H new ATOM 387 N GLY A 29 3.148 0.876 -12.383 1.00 0.00 N ATOM 388 CA GLY A 29 3.684 0.520 -11.126 1.00 0.00 C ATOM 389 C GLY A 29 2.596 0.527 -10.069 1.00 0.00 C ATOM 390 O GLY A 29 1.620 1.252 -10.219 1.00 0.00 O ATOM 0 H GLY A 29 3.117 1.878 -12.570 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.138 -0.469 -11.184 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.474 1.218 -10.849 1.00 0.00 H new ATOM 394 N ASP A 30 2.726 -0.260 -9.006 1.00 0.00 N ATOM 395 CA ASP A 30 1.695 -0.275 -7.978 1.00 0.00 C ATOM 396 C ASP A 30 1.756 1.042 -7.225 1.00 0.00 C ATOM 397 O ASP A 30 0.919 1.924 -7.412 1.00 0.00 O ATOM 398 CB ASP A 30 1.896 -1.455 -7.021 1.00 0.00 C ATOM 399 CG ASP A 30 0.735 -2.429 -7.057 1.00 0.00 C ATOM 400 OD1 ASP A 30 0.418 -2.932 -8.154 1.00 0.00 O ATOM 401 OD2 ASP A 30 0.142 -2.688 -5.988 1.00 0.00 O ATOM 0 H ASP A 30 3.516 -0.882 -8.836 1.00 0.00 H new ATOM 0 HA ASP A 30 0.715 -0.395 -8.440 1.00 0.00 H new ATOM 0 HB2 ASP A 30 2.815 -1.979 -7.282 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.021 -1.079 -6.005 1.00 0.00 H new ATOM 406 N GLU A 31 2.805 1.190 -6.442 1.00 0.00 N ATOM 407 CA GLU A 31 3.073 2.413 -5.722 1.00 0.00 C ATOM 408 C GLU A 31 3.622 3.440 -6.703 1.00 0.00 C ATOM 409 O GLU A 31 3.982 4.560 -6.342 1.00 0.00 O ATOM 410 CB GLU A 31 4.152 2.139 -4.685 1.00 0.00 C ATOM 411 CG GLU A 31 5.455 1.643 -5.318 1.00 0.00 C ATOM 412 CD GLU A 31 6.673 2.376 -4.792 1.00 0.00 C ATOM 413 OE1 GLU A 31 7.006 2.194 -3.602 1.00 0.00 O ATOM 414 OE2 GLU A 31 7.296 3.129 -5.570 1.00 0.00 O ATOM 0 H GLU A 31 3.499 0.459 -6.288 1.00 0.00 H new ATOM 0 HA GLU A 31 2.162 2.776 -5.247 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.349 3.050 -4.120 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.790 1.396 -3.975 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.566 0.576 -5.125 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.400 1.767 -6.400 1.00 0.00 H new ATOM 421 N LEU A 32 3.786 2.969 -7.926 1.00 0.00 N ATOM 422 CA LEU A 32 4.404 3.710 -8.991 1.00 0.00 C ATOM 423 C LEU A 32 3.420 4.180 -10.080 1.00 0.00 C ATOM 424 O LEU A 32 3.829 4.811 -11.047 1.00 0.00 O ATOM 425 CB LEU A 32 5.453 2.747 -9.522 1.00 0.00 C ATOM 426 CG LEU A 32 6.648 3.281 -10.275 1.00 0.00 C ATOM 427 CD1 LEU A 32 6.633 2.669 -11.652 1.00 0.00 C ATOM 428 CD2 LEU A 32 6.680 4.801 -10.331 1.00 0.00 C ATOM 0 H LEU A 32 3.483 2.036 -8.205 1.00 0.00 H new ATOM 0 HA LEU A 32 4.826 4.652 -8.640 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.831 2.178 -8.673 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.944 2.041 -10.178 1.00 0.00 H new ATOM 0 HG LEU A 32 7.560 3.001 -9.747 1.00 0.00 H new ATOM 0 HD11 LEU A 32 7.486 3.036 -12.223 1.00 0.00 H new ATOM 0 HD12 LEU A 32 6.692 1.584 -11.569 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.710 2.944 -12.162 1.00 0.00 H new ATOM 0 HD21 LEU A 32 7.561 5.126 -10.884 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.782 5.166 -10.831 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.720 5.202 -9.318 1.00 0.00 H new ATOM 440 N GLY A 33 2.124 3.922 -9.901 1.00 0.00 N ATOM 441 CA GLY A 33 1.137 4.382 -10.875 1.00 0.00 C ATOM 442 C GLY A 33 1.317 3.800 -12.257 1.00 0.00 C ATOM 443 O GLY A 33 1.680 2.640 -12.411 1.00 0.00 O ATOM 0 H GLY A 33 1.740 3.408 -9.108 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.140 4.130 -10.513 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.186 5.469 -10.941 1.00 0.00 H new ATOM 447 N CYS A 34 1.043 4.602 -13.274 1.00 0.00 N ATOM 448 CA CYS A 34 1.159 4.151 -14.661 1.00 0.00 C ATOM 449 C CYS A 34 1.884 5.172 -15.536 1.00 0.00 C ATOM 450 O CYS A 34 1.717 6.380 -15.368 1.00 0.00 O ATOM 451 CB CYS A 34 -0.225 3.884 -15.247 1.00 0.00 C ATOM 452 SG CYS A 34 -0.368 2.279 -16.086 1.00 0.00 S ATOM 0 H CYS A 34 0.738 5.570 -13.170 1.00 0.00 H new ATOM 0 HA CYS A 34 1.745 3.232 -14.651 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.964 3.932 -14.447 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.469 4.676 -15.955 1.00 0.00 H new ATOM 457 N PHE A 35 2.656 4.668 -16.499 1.00 0.00 N ATOM 458 CA PHE A 35 3.377 5.521 -17.448 1.00 0.00 C ATOM 459 C PHE A 35 3.192 5.020 -18.878 1.00 0.00 C ATOM 460 O PHE A 35 3.706 3.957 -19.224 1.00 0.00 O ATOM 461 CB PHE A 35 4.870 5.561 -17.128 1.00 0.00 C ATOM 462 CG PHE A 35 5.165 5.873 -15.701 1.00 0.00 C ATOM 463 CD1 PHE A 35 4.828 4.973 -14.712 1.00 0.00 C ATOM 464 CD2 PHE A 35 5.771 7.067 -15.348 1.00 0.00 C ATOM 465 CE1 PHE A 35 5.090 5.251 -13.394 1.00 0.00 C ATOM 466 CE2 PHE A 35 6.036 7.352 -14.024 1.00 0.00 C ATOM 467 CZ PHE A 35 5.695 6.442 -13.045 1.00 0.00 C ATOM 0 H PHE A 35 2.799 3.669 -16.644 1.00 0.00 H new ATOM 0 HA PHE A 35 2.963 6.525 -17.357 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.313 4.598 -17.380 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.349 6.308 -17.761 1.00 0.00 H new ATOM 0 HD1 PHE A 35 4.353 4.040 -14.977 1.00 0.00 H new ATOM 0 HD2 PHE A 35 6.038 7.780 -16.114 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.823 4.537 -12.629 1.00 0.00 H new ATOM 0 HE2 PHE A 35 6.509 8.285 -13.755 1.00 0.00 H new ATOM 0 HZ PHE A 35 5.901 6.661 -12.008 1.00 0.00 H new ATOM 477 N VAL A 36 2.510 5.782 -19.724 1.00 0.00 N ATOM 478 CA VAL A 36 2.348 5.365 -21.113 1.00 0.00 C ATOM 479 C VAL A 36 3.321 6.107 -22.006 1.00 0.00 C ATOM 480 O VAL A 36 3.442 7.330 -21.939 1.00 0.00 O ATOM 481 CB VAL A 36 0.926 5.560 -21.666 1.00 0.00 C ATOM 482 CG1 VAL A 36 0.726 4.663 -22.882 1.00 0.00 C ATOM 483 CG2 VAL A 36 -0.124 5.272 -20.604 1.00 0.00 C ATOM 0 H VAL A 36 2.070 6.670 -19.483 1.00 0.00 H new ATOM 0 HA VAL A 36 2.551 4.294 -21.116 1.00 0.00 H new ATOM 0 HB VAL A 36 0.808 6.601 -21.965 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.282 4.801 -23.274 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.453 4.924 -23.651 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.863 3.621 -22.592 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.118 5.419 -21.026 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.023 4.242 -20.263 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.016 5.949 -19.761 1.00 0.00 H new ATOM 493 N GLY A 37 4.016 5.352 -22.838 1.00 0.00 N ATOM 494 CA GLY A 37 4.994 5.942 -23.742 1.00 0.00 C ATOM 495 C GLY A 37 5.952 6.875 -23.019 1.00 0.00 C ATOM 496 O GLY A 37 6.391 7.882 -23.574 1.00 0.00 O ATOM 0 H GLY A 37 3.925 4.339 -22.909 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.560 5.149 -24.230 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.475 6.493 -24.527 1.00 0.00 H new ATOM 500 N THR A 38 6.262 6.537 -21.771 1.00 0.00 N ATOM 501 CA THR A 38 7.158 7.343 -20.945 1.00 0.00 C ATOM 502 C THR A 38 8.422 6.567 -20.586 1.00 0.00 C ATOM 503 O THR A 38 8.421 5.337 -20.587 1.00 0.00 O ATOM 504 CB THR A 38 6.429 7.756 -19.664 1.00 0.00 C ATOM 505 OG1 THR A 38 5.033 7.835 -19.885 1.00 0.00 O ATOM 506 CG2 THR A 38 6.877 9.084 -19.102 1.00 0.00 C ATOM 0 H THR A 38 5.903 5.703 -21.306 1.00 0.00 H new ATOM 0 HA THR A 38 7.450 8.227 -21.512 1.00 0.00 H new ATOM 0 HB THR A 38 6.678 6.980 -18.940 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.859 7.936 -20.844 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.313 9.304 -18.196 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.940 9.039 -18.866 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.702 9.868 -19.838 1.00 0.00 H new ATOM 514 N ALA A 39 9.494 7.291 -20.254 1.00 0.00 N ATOM 515 CA ALA A 39 10.760 6.663 -19.865 1.00 0.00 C ATOM 516 C ALA A 39 10.504 5.553 -18.855 1.00 0.00 C ATOM 517 O ALA A 39 10.950 4.421 -19.016 1.00 0.00 O ATOM 518 CB ALA A 39 11.704 7.704 -19.283 1.00 0.00 C ATOM 0 H ALA A 39 9.511 8.311 -20.247 1.00 0.00 H new ATOM 0 HA ALA A 39 11.226 6.228 -20.749 1.00 0.00 H new ATOM 0 HB1 ALA A 39 12.641 7.226 -18.998 1.00 0.00 H new ATOM 0 HB2 ALA A 39 11.902 8.474 -20.029 1.00 0.00 H new ATOM 0 HB3 ALA A 39 11.247 8.159 -18.405 1.00 0.00 H new ATOM 524 N GLU A 40 9.742 5.895 -17.829 1.00 0.00 N ATOM 525 CA GLU A 40 9.356 4.956 -16.788 1.00 0.00 C ATOM 526 C GLU A 40 8.478 3.832 -17.356 1.00 0.00 C ATOM 527 O GLU A 40 7.867 3.076 -16.600 1.00 0.00 O ATOM 528 CB GLU A 40 8.613 5.693 -15.679 1.00 0.00 C ATOM 529 CG GLU A 40 9.428 5.857 -14.408 1.00 0.00 C ATOM 530 CD GLU A 40 10.609 6.790 -14.590 1.00 0.00 C ATOM 531 OE1 GLU A 40 11.544 6.426 -15.334 1.00 0.00 O ATOM 532 OE2 GLU A 40 10.599 7.885 -13.989 1.00 0.00 O ATOM 0 H GLU A 40 9.372 6.836 -17.694 1.00 0.00 H new ATOM 0 HA GLU A 40 10.260 4.504 -16.380 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.319 6.678 -16.042 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.696 5.152 -15.446 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.785 6.240 -13.615 1.00 0.00 H new ATOM 0 HG3 GLU A 40 9.787 4.881 -14.083 1.00 0.00 H new ATOM 539 N ALA A 41 8.385 3.751 -18.689 1.00 0.00 N ATOM 540 CA ALA A 41 7.549 2.753 -19.343 1.00 0.00 C ATOM 541 C ALA A 41 8.224 2.079 -20.532 1.00 0.00 C ATOM 542 O ALA A 41 7.626 1.234 -21.200 1.00 0.00 O ATOM 543 CB ALA A 41 6.308 3.429 -19.836 1.00 0.00 C ATOM 0 H ALA A 41 8.882 4.368 -19.331 1.00 0.00 H new ATOM 0 HA ALA A 41 7.340 1.978 -18.606 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.667 2.698 -20.330 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.774 3.869 -18.994 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.577 4.213 -20.544 1.00 0.00 H new ATOM 549 N LEU A 42 9.464 2.433 -20.775 1.00 0.00 N ATOM 550 CA LEU A 42 10.236 1.856 -21.861 1.00 0.00 C ATOM 551 C LEU A 42 10.518 0.368 -21.641 1.00 0.00 C ATOM 552 O LEU A 42 10.975 -0.327 -22.548 1.00 0.00 O ATOM 553 CB LEU A 42 11.560 2.614 -22.025 1.00 0.00 C ATOM 554 CG LEU A 42 12.408 2.809 -20.748 1.00 0.00 C ATOM 555 CD1 LEU A 42 11.869 2.008 -19.564 1.00 0.00 C ATOM 556 CD2 LEU A 42 13.862 2.439 -21.014 1.00 0.00 C ATOM 0 H LEU A 42 9.970 3.129 -20.228 1.00 0.00 H new ATOM 0 HA LEU A 42 9.640 1.950 -22.769 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.167 2.085 -22.760 1.00 0.00 H new ATOM 0 HB3 LEU A 42 11.341 3.597 -22.442 1.00 0.00 H new ATOM 0 HG LEU A 42 12.346 3.864 -20.481 1.00 0.00 H new ATOM 0 HD11 LEU A 42 12.500 2.179 -18.692 1.00 0.00 H new ATOM 0 HD12 LEU A 42 10.850 2.326 -19.343 1.00 0.00 H new ATOM 0 HD13 LEU A 42 11.872 0.946 -19.811 1.00 0.00 H new ATOM 0 HD21 LEU A 42 14.446 2.582 -20.105 1.00 0.00 H new ATOM 0 HD22 LEU A 42 13.921 1.395 -21.323 1.00 0.00 H new ATOM 0 HD23 LEU A 42 14.260 3.075 -21.805 1.00 0.00 H new ATOM 568 N ARG A 43 10.264 -0.106 -20.429 1.00 0.00 N ATOM 569 CA ARG A 43 10.509 -1.495 -20.072 1.00 0.00 C ATOM 570 C ARG A 43 9.782 -2.475 -20.980 1.00 0.00 C ATOM 571 O ARG A 43 10.104 -3.662 -20.993 1.00 0.00 O ATOM 572 CB ARG A 43 10.083 -1.726 -18.637 1.00 0.00 C ATOM 573 CG ARG A 43 11.154 -2.375 -17.779 1.00 0.00 C ATOM 574 CD ARG A 43 12.380 -1.485 -17.665 1.00 0.00 C ATOM 575 NE ARG A 43 12.903 -1.447 -16.300 1.00 0.00 N ATOM 576 CZ ARG A 43 14.178 -1.669 -15.983 1.00 0.00 C ATOM 577 NH1 ARG A 43 15.071 -1.949 -16.925 1.00 0.00 N ATOM 578 NH2 ARG A 43 14.562 -1.609 -14.715 1.00 0.00 N ATOM 0 H ARG A 43 9.884 0.459 -19.669 1.00 0.00 H new ATOM 0 HA ARG A 43 11.577 -1.677 -20.193 1.00 0.00 H new ATOM 0 HB2 ARG A 43 9.803 -0.771 -18.192 1.00 0.00 H new ATOM 0 HB3 ARG A 43 9.193 -2.355 -18.628 1.00 0.00 H new ATOM 0 HG2 ARG A 43 10.755 -2.577 -16.785 1.00 0.00 H new ATOM 0 HG3 ARG A 43 11.437 -3.335 -18.210 1.00 0.00 H new ATOM 0 HD2 ARG A 43 13.155 -1.847 -18.340 1.00 0.00 H new ATOM 0 HD3 ARG A 43 12.126 -0.474 -17.984 1.00 0.00 H new ATOM 0 HE ARG A 43 12.251 -1.238 -15.544 1.00 0.00 H new ATOM 0 HH11 ARG A 43 14.783 -1.996 -17.903 1.00 0.00 H new ATOM 0 HH12 ARG A 43 16.044 -2.117 -16.671 1.00 0.00 H new ATOM 0 HH21 ARG A 43 13.882 -1.393 -13.986 1.00 0.00 H new ATOM 0 HH22 ARG A 43 15.537 -1.778 -14.469 1.00 0.00 H new ATOM 592 N CYS A 44 8.804 -1.998 -21.731 1.00 0.00 N ATOM 593 CA CYS A 44 8.059 -2.882 -22.615 1.00 0.00 C ATOM 594 C CYS A 44 8.878 -3.253 -23.852 1.00 0.00 C ATOM 595 O CYS A 44 8.544 -4.200 -24.564 1.00 0.00 O ATOM 596 CB CYS A 44 6.718 -2.265 -22.985 1.00 0.00 C ATOM 597 SG CYS A 44 5.282 -3.375 -22.759 1.00 0.00 S ATOM 0 H CYS A 44 8.510 -1.021 -21.749 1.00 0.00 H new ATOM 0 HA CYS A 44 7.859 -3.810 -22.079 1.00 0.00 H new ATOM 0 HB2 CYS A 44 6.566 -1.369 -22.383 1.00 0.00 H new ATOM 0 HB3 CYS A 44 6.754 -1.947 -24.027 1.00 0.00 H new ATOM 602 N GLN A 45 9.989 -2.546 -24.065 1.00 0.00 N ATOM 603 CA GLN A 45 10.892 -2.844 -25.163 1.00 0.00 C ATOM 604 C GLN A 45 11.538 -4.206 -24.899 1.00 0.00 C ATOM 605 O GLN A 45 12.078 -4.866 -25.787 1.00 0.00 O ATOM 606 CB GLN A 45 11.960 -1.764 -25.243 1.00 0.00 C ATOM 607 CG GLN A 45 11.680 -0.696 -26.288 1.00 0.00 C ATOM 608 CD GLN A 45 12.627 0.484 -26.186 1.00 0.00 C ATOM 609 OE1 GLN A 45 13.295 0.843 -27.157 1.00 0.00 O ATOM 610 NE2 GLN A 45 12.688 1.097 -25.010 1.00 0.00 N ATOM 0 H GLN A 45 10.281 -1.760 -23.484 1.00 0.00 H new ATOM 0 HA GLN A 45 10.350 -2.871 -26.108 1.00 0.00 H new ATOM 0 HB2 GLN A 45 12.055 -1.288 -24.267 1.00 0.00 H new ATOM 0 HB3 GLN A 45 12.920 -2.232 -25.464 1.00 0.00 H new ATOM 0 HG2 GLN A 45 11.760 -1.136 -27.282 1.00 0.00 H new ATOM 0 HG3 GLN A 45 10.654 -0.344 -26.177 1.00 0.00 H new ATOM 0 HE21 GLN A 45 12.117 0.766 -24.232 1.00 0.00 H new ATOM 0 HE22 GLN A 45 13.306 1.899 -24.884 1.00 0.00 H new ATOM 619 N GLU A 46 11.404 -4.600 -23.641 1.00 0.00 N ATOM 620 CA GLU A 46 11.886 -5.879 -23.169 1.00 0.00 C ATOM 621 C GLU A 46 10.902 -6.943 -23.634 1.00 0.00 C ATOM 622 O GLU A 46 11.273 -8.071 -23.970 1.00 0.00 O ATOM 623 CB GLU A 46 12.014 -5.889 -21.641 1.00 0.00 C ATOM 624 CG GLU A 46 10.725 -6.257 -20.922 1.00 0.00 C ATOM 625 CD GLU A 46 10.533 -7.756 -20.796 1.00 0.00 C ATOM 626 OE1 GLU A 46 11.190 -8.372 -19.931 1.00 0.00 O ATOM 627 OE2 GLU A 46 9.728 -8.316 -21.570 1.00 0.00 O ATOM 0 H GLU A 46 10.955 -4.035 -22.920 1.00 0.00 H new ATOM 0 HA GLU A 46 12.879 -6.077 -23.573 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.793 -6.595 -21.355 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.338 -4.904 -21.306 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.728 -5.810 -19.928 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.879 -5.830 -21.461 1.00 0.00 H new ATOM 634 N GLU A 47 9.635 -6.541 -23.668 1.00 0.00 N ATOM 635 CA GLU A 47 8.550 -7.410 -24.096 1.00 0.00 C ATOM 636 C GLU A 47 8.454 -7.471 -25.619 1.00 0.00 C ATOM 637 O GLU A 47 7.586 -8.153 -26.166 1.00 0.00 O ATOM 638 CB GLU A 47 7.229 -6.898 -23.515 1.00 0.00 C ATOM 639 CG GLU A 47 6.212 -7.992 -23.256 1.00 0.00 C ATOM 640 CD GLU A 47 4.783 -7.496 -23.338 1.00 0.00 C ATOM 641 OE1 GLU A 47 4.563 -6.283 -23.140 1.00 0.00 O ATOM 642 OE2 GLU A 47 3.882 -8.319 -23.606 1.00 0.00 O ATOM 0 H GLU A 47 9.334 -5.604 -23.399 1.00 0.00 H new ATOM 0 HA GLU A 47 8.753 -8.417 -23.731 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.432 -6.374 -22.581 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.799 -6.169 -24.202 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.356 -8.794 -23.980 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.388 -8.419 -22.269 1.00 0.00 H new ATOM 649 N ASN A 48 9.341 -6.752 -26.302 1.00 0.00 N ATOM 650 CA ASN A 48 9.345 -6.718 -27.750 1.00 0.00 C ATOM 651 C ASN A 48 10.297 -7.757 -28.338 1.00 0.00 C ATOM 652 O ASN A 48 10.294 -7.986 -29.547 1.00 0.00 O ATOM 653 CB ASN A 48 9.733 -5.324 -28.246 1.00 0.00 C ATOM 654 CG ASN A 48 9.238 -5.056 -29.652 1.00 0.00 C ATOM 655 OD1 ASN A 48 9.196 -5.957 -30.490 1.00 0.00 O ATOM 656 ND2 ASN A 48 8.858 -3.812 -29.917 1.00 0.00 N ATOM 0 H ASN A 48 10.068 -6.184 -25.867 1.00 0.00 H new ATOM 0 HA ASN A 48 8.336 -6.957 -28.085 1.00 0.00 H new ATOM 0 HB2 ASN A 48 9.324 -4.573 -27.570 1.00 0.00 H new ATOM 0 HB3 ASN A 48 10.818 -5.220 -28.219 1.00 0.00 H new ATOM 0 HD21 ASN A 48 8.514 -3.571 -30.846 1.00 0.00 H new ATOM 0 HD22 ASN A 48 8.910 -3.097 -29.191 1.00 0.00 H new ATOM 663 N TYR A 49 11.115 -8.384 -27.491 1.00 0.00 N ATOM 664 CA TYR A 49 12.061 -9.396 -27.971 1.00 0.00 C ATOM 665 C TYR A 49 12.197 -10.555 -26.985 1.00 0.00 C ATOM 666 O TYR A 49 13.064 -11.414 -27.147 1.00 0.00 O ATOM 667 CB TYR A 49 13.433 -8.763 -28.221 1.00 0.00 C ATOM 668 CG TYR A 49 14.043 -8.148 -26.983 1.00 0.00 C ATOM 669 CD1 TYR A 49 14.800 -8.912 -26.105 1.00 0.00 C ATOM 670 CD2 TYR A 49 13.848 -6.807 -26.686 1.00 0.00 C ATOM 671 CE1 TYR A 49 15.346 -8.354 -24.965 1.00 0.00 C ATOM 672 CE2 TYR A 49 14.393 -6.243 -25.550 1.00 0.00 C ATOM 673 CZ TYR A 49 15.138 -7.020 -24.693 1.00 0.00 C ATOM 674 OH TYR A 49 15.680 -6.460 -23.558 1.00 0.00 O ATOM 0 H TYR A 49 11.144 -8.214 -26.486 1.00 0.00 H new ATOM 0 HA TYR A 49 11.669 -9.795 -28.907 1.00 0.00 H new ATOM 0 HB2 TYR A 49 14.110 -9.523 -28.612 1.00 0.00 H new ATOM 0 HB3 TYR A 49 13.337 -7.996 -28.989 1.00 0.00 H new ATOM 0 HD1 TYR A 49 14.965 -9.958 -26.316 1.00 0.00 H new ATOM 0 HD2 TYR A 49 13.261 -6.195 -27.354 1.00 0.00 H new ATOM 0 HE1 TYR A 49 15.933 -8.961 -24.291 1.00 0.00 H new ATOM 0 HE2 TYR A 49 14.235 -5.196 -25.335 1.00 0.00 H new ATOM 0 HH TYR A 49 15.440 -5.511 -23.515 1.00 0.00 H new ATOM 684 N LEU A 50 11.336 -10.590 -25.973 1.00 0.00 N ATOM 685 CA LEU A 50 11.377 -11.658 -24.984 1.00 0.00 C ATOM 686 C LEU A 50 9.971 -12.036 -24.526 1.00 0.00 C ATOM 687 O LEU A 50 9.553 -11.684 -23.422 1.00 0.00 O ATOM 688 CB LEU A 50 12.228 -11.235 -23.783 1.00 0.00 C ATOM 689 CG LEU A 50 13.711 -11.604 -23.876 1.00 0.00 C ATOM 690 CD1 LEU A 50 14.511 -10.865 -22.815 1.00 0.00 C ATOM 691 CD2 LEU A 50 13.900 -13.107 -23.733 1.00 0.00 C ATOM 0 H LEU A 50 10.606 -9.895 -25.818 1.00 0.00 H new ATOM 0 HA LEU A 50 11.829 -12.534 -25.450 1.00 0.00 H new ATOM 0 HB2 LEU A 50 12.145 -10.155 -23.661 1.00 0.00 H new ATOM 0 HB3 LEU A 50 11.812 -11.690 -22.884 1.00 0.00 H new ATOM 0 HG LEU A 50 14.077 -11.304 -24.858 1.00 0.00 H new ATOM 0 HD11 LEU A 50 15.563 -11.139 -22.896 1.00 0.00 H new ATOM 0 HD12 LEU A 50 14.404 -9.790 -22.961 1.00 0.00 H new ATOM 0 HD13 LEU A 50 14.141 -11.135 -21.826 1.00 0.00 H new ATOM 0 HD21 LEU A 50 14.961 -13.349 -23.802 1.00 0.00 H new ATOM 0 HD22 LEU A 50 13.516 -13.432 -22.766 1.00 0.00 H new ATOM 0 HD23 LEU A 50 13.359 -13.619 -24.529 1.00 0.00 H new ATOM 703 N PRO A 51 9.214 -12.757 -25.373 1.00 0.00 N ATOM 704 CA PRO A 51 7.847 -13.184 -25.052 1.00 0.00 C ATOM 705 C PRO A 51 7.735 -13.767 -23.646 1.00 0.00 C ATOM 706 O PRO A 51 8.701 -14.314 -23.114 1.00 0.00 O ATOM 707 CB PRO A 51 7.578 -14.254 -26.103 1.00 0.00 C ATOM 708 CG PRO A 51 8.341 -13.770 -27.279 1.00 0.00 C ATOM 709 CD PRO A 51 9.621 -13.216 -26.716 1.00 0.00 C ATOM 0 HA PRO A 51 7.137 -12.357 -25.065 1.00 0.00 H new ATOM 0 HB2 PRO A 51 7.921 -15.236 -25.776 1.00 0.00 H new ATOM 0 HB3 PRO A 51 6.514 -14.345 -26.322 1.00 0.00 H new ATOM 0 HG2 PRO A 51 8.538 -14.580 -27.982 1.00 0.00 H new ATOM 0 HG3 PRO A 51 7.785 -13.005 -27.822 1.00 0.00 H new ATOM 0 HD2 PRO A 51 10.402 -13.974 -26.665 1.00 0.00 H new ATOM 0 HD3 PRO A 51 10.010 -12.398 -27.323 1.00 0.00 H new ATOM 717 N SER A 52 6.554 -13.648 -23.046 1.00 0.00 N ATOM 718 CA SER A 52 6.326 -14.169 -21.701 1.00 0.00 C ATOM 719 C SER A 52 4.930 -14.761 -21.570 1.00 0.00 C ATOM 720 O SER A 52 4.041 -14.461 -22.368 1.00 0.00 O ATOM 721 CB SER A 52 6.524 -13.073 -20.658 1.00 0.00 C ATOM 722 OG SER A 52 7.144 -11.934 -21.226 1.00 0.00 O ATOM 0 H SER A 52 5.742 -13.197 -23.468 1.00 0.00 H new ATOM 0 HA SER A 52 7.055 -14.961 -21.526 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.560 -12.792 -20.234 1.00 0.00 H new ATOM 0 HB3 SER A 52 7.135 -13.453 -19.839 1.00 0.00 H new ATOM 0 HG SER A 52 7.544 -11.390 -20.515 1.00 0.00 H new ATOM 728 N PRO A 53 4.715 -15.622 -20.564 1.00 0.00 N ATOM 729 CA PRO A 53 3.426 -16.254 -20.337 1.00 0.00 C ATOM 730 C PRO A 53 2.432 -15.302 -19.687 1.00 0.00 C ATOM 731 O PRO A 53 1.267 -15.260 -20.081 1.00 0.00 O ATOM 732 CB PRO A 53 3.743 -17.424 -19.391 1.00 0.00 C ATOM 733 CG PRO A 53 5.230 -17.457 -19.274 1.00 0.00 C ATOM 734 CD PRO A 53 5.701 -16.065 -19.581 1.00 0.00 C ATOM 0 HA PRO A 53 2.962 -16.570 -21.271 1.00 0.00 H new ATOM 0 HB2 PRO A 53 3.277 -17.277 -18.417 1.00 0.00 H new ATOM 0 HB3 PRO A 53 3.361 -18.364 -19.789 1.00 0.00 H new ATOM 0 HG2 PRO A 53 5.536 -17.760 -18.273 1.00 0.00 H new ATOM 0 HG3 PRO A 53 5.660 -18.177 -19.970 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.707 -15.431 -18.694 1.00 0.00 H new ATOM 0 HD3 PRO A 53 6.713 -16.056 -19.986 1.00 0.00 H new ATOM 742 N CYS A 54 2.874 -14.542 -18.678 1.00 0.00 N ATOM 743 CA CYS A 54 2.010 -13.614 -17.973 1.00 0.00 C ATOM 744 C CYS A 54 2.043 -12.239 -18.619 1.00 0.00 C ATOM 745 O CYS A 54 1.018 -11.561 -18.689 1.00 0.00 O ATOM 746 CB CYS A 54 2.485 -13.512 -16.512 1.00 0.00 C ATOM 747 SG CYS A 54 1.815 -12.107 -15.547 1.00 0.00 S ATOM 0 H CYS A 54 3.835 -14.559 -18.336 1.00 0.00 H new ATOM 0 HA CYS A 54 0.985 -13.981 -18.015 1.00 0.00 H new ATOM 0 HB2 CYS A 54 2.222 -14.437 -16.000 1.00 0.00 H new ATOM 0 HB3 CYS A 54 3.573 -13.444 -16.508 1.00 0.00 H new ATOM 752 N GLN A 55 3.235 -11.824 -19.067 1.00 0.00 N ATOM 753 CA GLN A 55 3.410 -10.506 -19.695 1.00 0.00 C ATOM 754 C GLN A 55 2.112 -9.963 -20.318 1.00 0.00 C ATOM 755 O GLN A 55 1.501 -10.603 -21.172 1.00 0.00 O ATOM 756 CB GLN A 55 4.503 -10.597 -20.749 1.00 0.00 C ATOM 757 CG GLN A 55 4.127 -11.475 -21.935 1.00 0.00 C ATOM 758 CD GLN A 55 4.729 -11.011 -23.245 1.00 0.00 C ATOM 759 OE1 GLN A 55 4.019 -10.807 -24.231 1.00 0.00 O ATOM 760 NE2 GLN A 55 6.042 -10.846 -23.262 1.00 0.00 N ATOM 0 H GLN A 55 4.089 -12.378 -19.007 1.00 0.00 H new ATOM 0 HA GLN A 55 3.695 -9.802 -18.913 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.736 -9.594 -21.108 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.410 -10.989 -20.289 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.451 -12.497 -21.737 1.00 0.00 H new ATOM 0 HG3 GLN A 55 3.041 -11.497 -22.031 1.00 0.00 H new ATOM 0 HE21 GLN A 55 6.590 -11.027 -22.421 1.00 0.00 H new ATOM 0 HE22 GLN A 55 6.506 -10.538 -24.116 1.00 0.00 H new ATOM 769 N SER A 56 1.702 -8.771 -19.877 1.00 0.00 N ATOM 770 CA SER A 56 0.485 -8.127 -20.383 1.00 0.00 C ATOM 771 C SER A 56 -0.776 -8.876 -19.952 1.00 0.00 C ATOM 772 O SER A 56 -0.822 -10.105 -19.987 1.00 0.00 O ATOM 773 CB SER A 56 0.525 -8.019 -21.912 1.00 0.00 C ATOM 774 OG SER A 56 -0.068 -9.152 -22.526 1.00 0.00 O ATOM 0 H SER A 56 2.197 -8.230 -19.168 1.00 0.00 H new ATOM 0 HA SER A 56 0.449 -7.127 -19.952 1.00 0.00 H new ATOM 0 HB2 SER A 56 0.002 -7.116 -22.228 1.00 0.00 H new ATOM 0 HB3 SER A 56 1.558 -7.922 -22.245 1.00 0.00 H new ATOM 0 HG SER A 56 0.346 -9.968 -22.175 1.00 0.00 H new ATOM 780 N GLY A 57 -1.805 -8.121 -19.556 1.00 0.00 N ATOM 781 CA GLY A 57 -3.062 -8.727 -19.138 1.00 0.00 C ATOM 782 C GLY A 57 -3.620 -8.129 -17.864 1.00 0.00 C ATOM 783 O GLY A 57 -3.343 -8.620 -16.769 1.00 0.00 O ATOM 0 H GLY A 57 -1.789 -7.102 -19.518 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.795 -8.613 -19.936 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.911 -9.797 -18.994 1.00 0.00 H new ATOM 787 N GLN A 58 -4.403 -7.056 -17.999 1.00 0.00 N ATOM 788 CA GLN A 58 -4.981 -6.397 -16.847 1.00 0.00 C ATOM 789 C GLN A 58 -6.472 -6.131 -16.986 1.00 0.00 C ATOM 790 O GLN A 58 -6.877 -5.127 -17.564 1.00 0.00 O ATOM 791 CB GLN A 58 -4.275 -5.101 -16.619 1.00 0.00 C ATOM 792 CG GLN A 58 -3.295 -5.206 -15.479 1.00 0.00 C ATOM 793 CD GLN A 58 -3.902 -4.831 -14.140 1.00 0.00 C ATOM 794 OE1 GLN A 58 -4.143 -5.693 -13.294 1.00 0.00 O ATOM 795 NE2 GLN A 58 -4.156 -3.543 -13.941 1.00 0.00 N ATOM 0 H GLN A 58 -4.645 -6.633 -18.895 1.00 0.00 H new ATOM 0 HA GLN A 58 -4.856 -7.073 -16.001 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -3.750 -4.806 -17.527 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -5.004 -4.320 -16.404 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -2.915 -6.226 -15.427 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -2.442 -4.558 -15.679 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -3.940 -2.862 -14.669 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -4.567 -3.234 -13.060 1.00 0.00 H new ATOM 804 N LYS A 59 -7.278 -7.050 -16.499 1.00 0.00 N ATOM 805 CA LYS A 59 -8.726 -6.966 -16.588 1.00 0.00 C ATOM 806 C LYS A 59 -9.288 -5.540 -16.543 1.00 0.00 C ATOM 807 O LYS A 59 -9.236 -4.858 -15.513 1.00 0.00 O ATOM 808 CB LYS A 59 -9.343 -7.805 -15.468 1.00 0.00 C ATOM 809 CG LYS A 59 -10.859 -7.884 -15.518 1.00 0.00 C ATOM 810 CD LYS A 59 -11.472 -7.667 -14.143 1.00 0.00 C ATOM 811 CE LYS A 59 -12.696 -8.544 -13.933 1.00 0.00 C ATOM 812 NZ LYS A 59 -13.025 -8.700 -12.489 1.00 0.00 N ATOM 0 H LYS A 59 -6.945 -7.889 -16.023 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.996 -7.352 -17.571 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.935 -8.815 -15.518 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -9.043 -7.387 -14.507 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -11.241 -7.134 -16.211 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -11.162 -8.858 -15.903 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.731 -7.886 -13.375 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -11.750 -6.619 -14.029 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.548 -8.109 -14.455 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -12.520 -9.525 -14.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -13.865 -9.304 -12.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.221 -9.138 -11.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -13.218 -7.766 -12.074 1.00 0.00 H new ATOM 826 N PRO A 60 -9.824 -5.075 -17.691 1.00 0.00 N ATOM 827 CA PRO A 60 -10.410 -3.748 -17.816 1.00 0.00 C ATOM 828 C PRO A 60 -11.370 -3.437 -16.672 1.00 0.00 C ATOM 829 O PRO A 60 -11.688 -4.320 -15.876 1.00 0.00 O ATOM 830 CB PRO A 60 -11.180 -3.811 -19.135 1.00 0.00 C ATOM 831 CG PRO A 60 -10.497 -4.862 -19.937 1.00 0.00 C ATOM 832 CD PRO A 60 -9.859 -5.812 -18.960 1.00 0.00 C ATOM 0 HA PRO A 60 -9.649 -2.968 -17.788 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -12.227 -4.062 -18.968 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -11.161 -2.850 -19.648 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -11.210 -5.385 -20.575 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.746 -4.421 -20.593 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -10.436 -6.732 -18.868 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -8.857 -6.096 -19.281 1.00 0.00 H new ATOM 840 N CYS A 61 -11.835 -2.188 -16.573 1.00 0.00 N ATOM 841 CA CYS A 61 -12.740 -1.795 -15.517 1.00 0.00 C ATOM 842 C CYS A 61 -13.685 -0.692 -15.954 1.00 0.00 C ATOM 843 O CYS A 61 -13.361 0.153 -16.787 1.00 0.00 O ATOM 844 CB CYS A 61 -11.997 -1.288 -14.285 1.00 0.00 C ATOM 845 SG CYS A 61 -10.390 -0.448 -14.608 1.00 0.00 S ATOM 0 H CYS A 61 -11.592 -1.438 -17.220 1.00 0.00 H new ATOM 0 HA CYS A 61 -13.302 -2.697 -15.275 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -12.647 -0.595 -13.752 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -11.817 -2.132 -13.619 1.00 0.00 H new ATOM 850 N GLY A 62 -14.878 -0.773 -15.386 1.00 0.00 N ATOM 851 CA GLY A 62 -15.966 0.150 -15.673 1.00 0.00 C ATOM 852 C GLY A 62 -15.575 1.608 -15.913 1.00 0.00 C ATOM 853 O GLY A 62 -16.400 2.383 -16.398 1.00 0.00 O ATOM 0 H GLY A 62 -15.121 -1.491 -14.704 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -16.497 -0.211 -16.554 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -16.670 0.118 -14.841 1.00 0.00 H new ATOM 857 N SER A 63 -14.342 1.985 -15.643 1.00 0.00 N ATOM 858 CA SER A 63 -13.920 3.337 -15.914 1.00 0.00 C ATOM 859 C SER A 63 -13.241 3.395 -17.283 1.00 0.00 C ATOM 860 O SER A 63 -12.256 4.104 -17.487 1.00 0.00 O ATOM 861 CB SER A 63 -13.021 3.875 -14.810 1.00 0.00 C ATOM 862 OG SER A 63 -12.856 5.277 -14.926 1.00 0.00 O ATOM 0 H SER A 63 -13.625 1.381 -15.241 1.00 0.00 H new ATOM 0 HA SER A 63 -14.798 3.983 -15.935 1.00 0.00 H new ATOM 0 HB2 SER A 63 -13.451 3.635 -13.837 1.00 0.00 H new ATOM 0 HB3 SER A 63 -12.048 3.386 -14.858 1.00 0.00 H new ATOM 0 HG SER A 63 -11.996 5.471 -15.355 1.00 0.00 H new ATOM 868 N GLY A 64 -13.816 2.631 -18.215 1.00 0.00 N ATOM 869 CA GLY A 64 -13.332 2.564 -19.582 1.00 0.00 C ATOM 870 C GLY A 64 -11.850 2.340 -19.722 1.00 0.00 C ATOM 871 O GLY A 64 -11.140 3.178 -20.279 1.00 0.00 O ATOM 0 H GLY A 64 -14.630 2.044 -18.036 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -13.856 1.760 -20.098 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -13.594 3.492 -20.090 1.00 0.00 H new ATOM 875 N GLY A 65 -11.376 1.213 -19.236 1.00 0.00 N ATOM 876 CA GLY A 65 -9.974 0.876 -19.323 1.00 0.00 C ATOM 877 C GLY A 65 -9.584 -0.239 -18.372 1.00 0.00 C ATOM 878 O GLY A 65 -10.440 -0.959 -17.889 1.00 0.00 O ATOM 0 H GLY A 65 -11.949 0.509 -18.772 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.738 0.577 -20.344 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -9.377 1.761 -19.104 1.00 0.00 H new ATOM 882 N ARG A 66 -8.296 -0.396 -18.125 1.00 0.00 N ATOM 883 CA ARG A 66 -7.836 -1.455 -17.233 1.00 0.00 C ATOM 884 C ARG A 66 -7.554 -0.953 -15.852 1.00 0.00 C ATOM 885 O ARG A 66 -7.315 0.228 -15.662 1.00 0.00 O ATOM 886 CB ARG A 66 -6.625 -2.212 -17.751 1.00 0.00 C ATOM 887 CG ARG A 66 -6.450 -2.161 -19.256 1.00 0.00 C ATOM 888 CD ARG A 66 -7.710 -2.622 -19.962 1.00 0.00 C ATOM 889 NE ARG A 66 -7.459 -2.935 -21.366 1.00 0.00 N ATOM 890 CZ ARG A 66 -8.218 -2.515 -22.377 1.00 0.00 C ATOM 891 NH1 ARG A 66 -9.299 -1.778 -22.154 1.00 0.00 N ATOM 892 NH2 ARG A 66 -7.892 -2.839 -23.619 1.00 0.00 N ATOM 0 H ARG A 66 -7.557 0.185 -18.521 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.670 -2.156 -17.196 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -5.730 -1.807 -17.280 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.704 -3.254 -17.442 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.207 -1.144 -19.564 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.611 -2.792 -19.550 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -8.108 -3.503 -19.458 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.471 -1.845 -19.893 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.649 -3.514 -21.587 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -9.557 -1.527 -21.200 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -9.872 -1.463 -22.937 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.064 -3.407 -23.797 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -8.469 -2.520 -24.397 1.00 0.00 H new ATOM 906 N CYS A 67 -7.516 -1.863 -14.880 1.00 0.00 N ATOM 907 CA CYS A 67 -7.193 -1.484 -13.510 1.00 0.00 C ATOM 908 C CYS A 67 -5.717 -1.115 -13.392 1.00 0.00 C ATOM 909 O CYS A 67 -5.026 -1.553 -12.471 1.00 0.00 O ATOM 910 CB CYS A 67 -7.507 -2.643 -12.578 1.00 0.00 C ATOM 911 SG CYS A 67 -8.300 -2.230 -10.988 1.00 0.00 S ATOM 0 H CYS A 67 -7.703 -2.857 -15.015 1.00 0.00 H new ATOM 0 HA CYS A 67 -7.792 -0.617 -13.233 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -8.155 -3.340 -13.109 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -6.577 -3.170 -12.367 1.00 0.00 H new ATOM 916 N ALA A 68 -5.250 -0.339 -14.356 1.00 0.00 N ATOM 917 CA ALA A 68 -3.861 0.100 -14.446 1.00 0.00 C ATOM 918 C ALA A 68 -3.060 -0.112 -13.162 1.00 0.00 C ATOM 919 O ALA A 68 -2.483 -1.179 -12.957 1.00 0.00 O ATOM 920 CB ALA A 68 -3.833 1.552 -14.848 1.00 0.00 C ATOM 0 H ALA A 68 -5.835 0.012 -15.114 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.376 -0.521 -15.199 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.799 1.890 -14.918 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.320 1.671 -15.816 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.359 2.146 -14.101 1.00 0.00 H new ATOM 926 N ALA A 69 -2.963 0.928 -12.337 1.00 0.00 N ATOM 927 CA ALA A 69 -2.175 0.881 -11.117 1.00 0.00 C ATOM 928 C ALA A 69 -2.662 1.939 -10.136 1.00 0.00 C ATOM 929 O ALA A 69 -3.243 2.946 -10.535 1.00 0.00 O ATOM 930 CB ALA A 69 -0.726 1.155 -11.445 1.00 0.00 C ATOM 0 H ALA A 69 -3.428 1.821 -12.498 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.281 -0.107 -10.669 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.133 1.120 -10.531 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.362 0.401 -12.143 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -0.636 2.142 -11.898 1.00 0.00 H new ATOM 936 N ALA A 70 -2.483 1.669 -8.850 1.00 0.00 N ATOM 937 CA ALA A 70 -2.963 2.569 -7.819 1.00 0.00 C ATOM 938 C ALA A 70 -4.433 2.822 -8.041 1.00 0.00 C ATOM 939 O ALA A 70 -4.942 3.900 -7.744 1.00 0.00 O ATOM 940 CB ALA A 70 -2.228 3.874 -7.887 1.00 0.00 C ATOM 0 H ALA A 70 -2.010 0.836 -8.500 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.797 2.117 -6.841 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.598 4.541 -7.108 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.162 3.699 -7.740 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.389 4.332 -8.863 1.00 0.00 H new ATOM 946 N GLY A 71 -5.108 1.815 -8.551 1.00 0.00 N ATOM 947 CA GLY A 71 -6.499 1.937 -8.817 1.00 0.00 C ATOM 948 C GLY A 71 -6.798 2.786 -10.025 1.00 0.00 C ATOM 949 O GLY A 71 -7.855 3.404 -10.109 1.00 0.00 O ATOM 0 H GLY A 71 -4.704 0.908 -8.785 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.923 0.944 -8.965 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.993 2.368 -7.946 1.00 0.00 H new ATOM 953 N ILE A 72 -5.903 2.778 -10.992 1.00 0.00 N ATOM 954 CA ILE A 72 -6.139 3.518 -12.200 1.00 0.00 C ATOM 955 C ILE A 72 -6.876 2.625 -13.155 1.00 0.00 C ATOM 956 O ILE A 72 -6.685 1.409 -13.171 1.00 0.00 O ATOM 957 CB ILE A 72 -4.854 4.054 -12.918 1.00 0.00 C ATOM 958 CG1 ILE A 72 -4.385 5.369 -12.312 1.00 0.00 C ATOM 959 CG2 ILE A 72 -5.114 4.283 -14.414 1.00 0.00 C ATOM 960 CD1 ILE A 72 -3.502 6.171 -13.248 1.00 0.00 C ATOM 0 H ILE A 72 -5.018 2.272 -10.960 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.707 4.402 -11.908 1.00 0.00 H new ATOM 0 HB ILE A 72 -4.083 3.295 -12.785 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.254 5.968 -12.039 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.838 5.164 -11.392 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -4.206 4.655 -14.888 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -5.408 3.343 -14.880 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -5.913 5.014 -14.537 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.200 7.097 -12.759 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.616 5.589 -13.501 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -4.054 6.405 -14.158 1.00 0.00 H new ATOM 972 N CYS A 73 -7.659 3.235 -13.991 1.00 0.00 N ATOM 973 CA CYS A 73 -8.347 2.527 -15.005 1.00 0.00 C ATOM 974 C CYS A 73 -7.787 3.117 -16.287 1.00 0.00 C ATOM 975 O CYS A 73 -8.016 4.287 -16.646 1.00 0.00 O ATOM 976 CB CYS A 73 -9.873 2.600 -14.826 1.00 0.00 C ATOM 977 SG CYS A 73 -10.825 1.256 -15.653 1.00 0.00 S ATOM 0 H CYS A 73 -7.834 4.240 -13.982 1.00 0.00 H new ATOM 0 HA CYS A 73 -8.189 1.449 -14.992 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -10.099 2.581 -13.760 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -10.222 3.559 -15.208 1.00 0.00 H new ATOM 982 N CYS A 74 -6.901 2.347 -16.883 1.00 0.00 N ATOM 983 CA CYS A 74 -6.166 2.789 -18.034 1.00 0.00 C ATOM 984 C CYS A 74 -5.995 1.673 -19.019 1.00 0.00 C ATOM 985 O CYS A 74 -6.005 0.504 -18.649 1.00 0.00 O ATOM 986 CB CYS A 74 -4.779 3.227 -17.597 1.00 0.00 C ATOM 987 SG CYS A 74 -3.527 3.300 -18.939 1.00 0.00 S ATOM 0 H CYS A 74 -6.675 1.400 -16.579 1.00 0.00 H new ATOM 0 HA CYS A 74 -6.718 3.607 -18.497 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -4.854 4.212 -17.137 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -4.424 2.542 -16.827 1.00 0.00 H new ATOM 992 N SER A 75 -5.779 2.039 -20.254 1.00 0.00 N ATOM 993 CA SER A 75 -5.539 1.049 -21.275 1.00 0.00 C ATOM 994 C SER A 75 -4.145 1.299 -21.854 1.00 0.00 C ATOM 995 O SER A 75 -3.236 1.633 -21.098 1.00 0.00 O ATOM 996 CB SER A 75 -6.643 1.191 -22.329 1.00 0.00 C ATOM 997 OG SER A 75 -7.926 1.063 -21.741 1.00 0.00 O ATOM 0 H SER A 75 -5.764 3.006 -20.578 1.00 0.00 H new ATOM 0 HA SER A 75 -5.565 0.030 -20.888 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.559 2.160 -22.820 1.00 0.00 H new ATOM 0 HB3 SER A 75 -6.515 0.431 -23.100 1.00 0.00 H new ATOM 0 HG SER A 75 -8.614 1.159 -22.432 1.00 0.00 H new ATOM 1003 N PRO A 76 -3.924 1.226 -23.175 1.00 0.00 N ATOM 1004 CA PRO A 76 -2.626 1.545 -23.724 1.00 0.00 C ATOM 1005 C PRO A 76 -2.579 3.026 -24.073 1.00 0.00 C ATOM 1006 O PRO A 76 -1.519 3.647 -24.146 1.00 0.00 O ATOM 1007 CB PRO A 76 -2.573 0.700 -24.991 1.00 0.00 C ATOM 1008 CG PRO A 76 -3.995 0.541 -25.427 1.00 0.00 C ATOM 1009 CD PRO A 76 -4.877 0.851 -24.239 1.00 0.00 C ATOM 0 HA PRO A 76 -1.796 1.348 -23.045 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -1.978 1.188 -25.763 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -2.112 -0.268 -24.798 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -4.219 1.213 -26.255 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.175 -0.474 -25.783 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -5.571 1.663 -24.458 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.477 -0.012 -23.951 1.00 0.00 H new ATOM 1017 N ASP A 77 -3.763 3.531 -24.391 1.00 0.00 N ATOM 1018 CA ASP A 77 -4.012 4.918 -24.873 1.00 0.00 C ATOM 1019 C ASP A 77 -3.709 5.948 -23.828 1.00 0.00 C ATOM 1020 O ASP A 77 -2.790 6.750 -23.999 1.00 0.00 O ATOM 1021 CB ASP A 77 -5.463 5.064 -25.335 1.00 0.00 C ATOM 1022 CG ASP A 77 -5.564 5.563 -26.763 1.00 0.00 C ATOM 1023 OD1 ASP A 77 -5.441 4.737 -27.691 1.00 0.00 O ATOM 1024 OD2 ASP A 77 -5.764 6.782 -26.952 1.00 0.00 O ATOM 0 H ASP A 77 -4.619 2.981 -24.324 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.337 5.091 -25.711 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -5.967 4.101 -25.252 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.985 5.755 -24.673 1.00 0.00 H new ATOM 1029 N GLY A 78 -4.407 5.886 -22.681 1.00 0.00 N ATOM 1030 CA GLY A 78 -4.082 6.792 -21.585 1.00 0.00 C ATOM 1031 C GLY A 78 -4.545 6.280 -20.240 1.00 0.00 C ATOM 1032 O GLY A 78 -5.523 5.528 -20.167 1.00 0.00 O ATOM 0 H GLY A 78 -5.174 5.238 -22.498 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -3.004 6.948 -21.557 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -4.539 7.763 -21.775 1.00 0.00 H new ATOM 1036 N CYS A 79 -3.861 6.661 -19.169 1.00 0.00 N ATOM 1037 CA CYS A 79 -4.240 6.211 -17.837 1.00 0.00 C ATOM 1038 C CYS A 79 -4.678 7.335 -16.952 1.00 0.00 C ATOM 1039 O CYS A 79 -4.137 8.441 -17.001 1.00 0.00 O ATOM 1040 CB CYS A 79 -3.094 5.536 -17.117 1.00 0.00 C ATOM 1041 SG CYS A 79 -2.084 4.488 -18.183 1.00 0.00 S ATOM 0 H CYS A 79 -3.047 7.276 -19.196 1.00 0.00 H new ATOM 0 HA CYS A 79 -5.061 5.516 -18.010 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -2.460 6.299 -16.667 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.494 4.932 -16.302 1.00 0.00 H new ATOM 1046 N GLU A 80 -5.692 7.054 -16.167 1.00 0.00 N ATOM 1047 CA GLU A 80 -6.235 8.085 -15.288 1.00 0.00 C ATOM 1048 C GLU A 80 -6.732 7.545 -13.952 1.00 0.00 C ATOM 1049 O GLU A 80 -7.404 6.526 -13.906 1.00 0.00 O ATOM 1050 CB GLU A 80 -7.368 8.820 -16.004 1.00 0.00 C ATOM 1051 CG GLU A 80 -8.518 7.909 -16.410 1.00 0.00 C ATOM 1052 CD GLU A 80 -9.865 8.598 -16.337 1.00 0.00 C ATOM 1053 OE1 GLU A 80 -10.225 9.085 -15.245 1.00 0.00 O ATOM 1054 OE2 GLU A 80 -10.563 8.648 -17.372 1.00 0.00 O ATOM 0 H GLU A 80 -6.154 6.146 -16.112 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.416 8.768 -15.059 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.750 9.606 -15.353 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.970 9.308 -16.893 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -8.352 7.552 -17.427 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.528 7.032 -15.762 1.00 0.00 H new ATOM 1061 N GLU A 81 -6.345 8.202 -12.848 1.00 0.00 N ATOM 1062 CA GLU A 81 -6.716 7.742 -11.514 1.00 0.00 C ATOM 1063 C GLU A 81 -8.208 7.536 -11.375 1.00 0.00 C ATOM 1064 O GLU A 81 -8.937 8.428 -10.943 1.00 0.00 O ATOM 1065 CB GLU A 81 -6.215 8.722 -10.453 1.00 0.00 C ATOM 1066 CG GLU A 81 -6.385 10.178 -10.825 1.00 0.00 C ATOM 1067 CD GLU A 81 -7.145 10.966 -9.775 1.00 0.00 C ATOM 1068 OE1 GLU A 81 -7.056 10.604 -8.583 1.00 0.00 O ATOM 1069 OE2 GLU A 81 -7.826 11.946 -10.143 1.00 0.00 O ATOM 0 H GLU A 81 -5.778 9.050 -12.859 1.00 0.00 H new ATOM 0 HA GLU A 81 -6.239 6.774 -11.362 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -6.746 8.533 -9.520 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -5.159 8.528 -10.264 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -5.403 10.628 -10.971 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -6.912 10.246 -11.777 1.00 0.00 H new ATOM 1076 N ASP A 82 -8.653 6.356 -11.779 1.00 0.00 N ATOM 1077 CA ASP A 82 -10.035 6.016 -11.753 1.00 0.00 C ATOM 1078 C ASP A 82 -10.492 5.451 -10.417 1.00 0.00 C ATOM 1079 O ASP A 82 -9.998 4.432 -9.939 1.00 0.00 O ATOM 1080 CB ASP A 82 -10.313 5.003 -12.829 1.00 0.00 C ATOM 1081 CG ASP A 82 -9.897 5.515 -14.194 1.00 0.00 C ATOM 1082 OD1 ASP A 82 -10.652 6.322 -14.776 1.00 0.00 O ATOM 1083 OD2 ASP A 82 -8.826 5.124 -14.679 1.00 0.00 O ATOM 0 H ASP A 82 -8.048 5.615 -12.133 1.00 0.00 H new ATOM 0 HA ASP A 82 -10.591 6.939 -11.919 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -9.779 4.079 -12.607 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -11.376 4.762 -12.838 1.00 0.00 H new ATOM 1088 N PRO A 83 -11.506 6.105 -9.840 1.00 0.00 N ATOM 1089 CA PRO A 83 -12.133 5.690 -8.612 1.00 0.00 C ATOM 1090 C PRO A 83 -12.727 4.325 -8.804 1.00 0.00 C ATOM 1091 O PRO A 83 -13.332 3.754 -7.904 1.00 0.00 O ATOM 1092 CB PRO A 83 -13.242 6.729 -8.396 1.00 0.00 C ATOM 1093 CG PRO A 83 -12.828 7.885 -9.216 1.00 0.00 C ATOM 1094 CD PRO A 83 -12.128 7.279 -10.391 1.00 0.00 C ATOM 0 HA PRO A 83 -11.446 5.634 -7.767 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -14.212 6.346 -8.711 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -13.333 7.000 -7.344 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -13.687 8.478 -9.529 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -12.167 8.550 -8.660 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -12.827 7.027 -11.189 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -11.392 7.962 -10.816 1.00 0.00 H new ATOM 1102 N ALA A 84 -12.529 3.803 -10.002 1.00 0.00 N ATOM 1103 CA ALA A 84 -12.989 2.515 -10.345 1.00 0.00 C ATOM 1104 C ALA A 84 -12.083 1.484 -9.730 1.00 0.00 C ATOM 1105 O ALA A 84 -12.498 0.362 -9.441 1.00 0.00 O ATOM 1106 CB ALA A 84 -12.988 2.395 -11.846 1.00 0.00 C ATOM 0 H ALA A 84 -12.037 4.285 -10.755 1.00 0.00 H new ATOM 0 HA ALA A 84 -14.000 2.354 -9.970 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -13.341 1.404 -12.132 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -13.647 3.152 -12.272 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -11.976 2.542 -12.222 1.00 0.00 H new ATOM 1112 N CYS A 85 -10.815 1.861 -9.576 1.00 0.00 N ATOM 1113 CA CYS A 85 -9.845 0.948 -9.051 1.00 0.00 C ATOM 1114 C CYS A 85 -9.150 1.363 -7.725 1.00 0.00 C ATOM 1115 O CYS A 85 -8.669 0.458 -7.043 1.00 0.00 O ATOM 1116 CB CYS A 85 -8.821 0.587 -10.133 1.00 0.00 C ATOM 1117 SG CYS A 85 -9.439 -0.601 -11.360 1.00 0.00 S ATOM 0 H CYS A 85 -10.454 2.786 -9.809 1.00 0.00 H new ATOM 0 HA CYS A 85 -10.421 0.068 -8.763 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -8.512 1.498 -10.646 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -7.933 0.173 -9.656 1.00 0.00 H new ATOM 1122 N ASP A 86 -9.068 2.675 -7.313 1.00 0.00 N ATOM 1123 CA ASP A 86 -8.360 2.984 -6.014 1.00 0.00 C ATOM 1124 C ASP A 86 -7.760 4.402 -5.751 1.00 0.00 C ATOM 1125 O ASP A 86 -7.360 4.656 -4.615 1.00 0.00 O ATOM 1126 CB ASP A 86 -7.116 2.146 -5.941 1.00 0.00 C ATOM 1127 CG ASP A 86 -6.560 2.012 -4.536 1.00 0.00 C ATOM 1128 OD1 ASP A 86 -6.997 1.095 -3.810 1.00 0.00 O ATOM 1129 OD2 ASP A 86 -5.687 2.824 -4.163 1.00 0.00 O ATOM 0 H ASP A 86 -9.449 3.478 -7.814 1.00 0.00 H new ATOM 0 HA ASP A 86 -9.176 2.825 -5.309 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -7.333 1.153 -6.334 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -6.354 2.584 -6.585 1.00 0.00 H new ATOM 1134 N PRO A 87 -7.572 5.303 -6.725 1.00 0.00 N ATOM 1135 CA PRO A 87 -6.905 6.579 -6.479 1.00 0.00 C ATOM 1136 C PRO A 87 -7.887 7.671 -6.213 1.00 0.00 C ATOM 1137 O PRO A 87 -8.024 8.181 -5.100 1.00 0.00 O ATOM 1138 CB PRO A 87 -6.176 6.839 -7.801 1.00 0.00 C ATOM 1139 CG PRO A 87 -6.655 5.775 -8.742 1.00 0.00 C ATOM 1140 CD PRO A 87 -7.888 5.187 -8.125 1.00 0.00 C ATOM 0 HA PRO A 87 -6.252 6.551 -5.607 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -6.404 7.833 -8.185 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -5.095 6.788 -7.669 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -6.875 6.195 -9.724 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -5.891 5.011 -8.886 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -8.788 5.741 -8.393 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -8.048 4.152 -8.428 1.00 0.00 H new ATOM 1148 N GLU A 88 -8.612 7.964 -7.258 1.00 0.00 N ATOM 1149 CA GLU A 88 -9.664 8.944 -7.166 1.00 0.00 C ATOM 1150 C GLU A 88 -10.826 8.234 -6.458 1.00 0.00 C ATOM 1151 O GLU A 88 -11.905 8.774 -6.217 1.00 0.00 O ATOM 1152 CB GLU A 88 -10.033 9.431 -8.571 1.00 0.00 C ATOM 1153 CG GLU A 88 -10.892 10.687 -8.587 1.00 0.00 C ATOM 1154 CD GLU A 88 -10.938 11.341 -9.955 1.00 0.00 C ATOM 1155 OE1 GLU A 88 -11.514 10.738 -10.884 1.00 0.00 O ATOM 1156 OE2 GLU A 88 -10.397 12.459 -10.098 1.00 0.00 O ATOM 0 H GLU A 88 -8.496 7.542 -8.179 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.375 9.833 -6.606 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.117 9.623 -9.130 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -10.563 8.634 -9.093 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -11.905 10.435 -8.274 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -10.502 11.399 -7.860 1.00 0.00 H new ATOM 1163 N ALA A 89 -10.536 6.944 -6.249 1.00 0.00 N ATOM 1164 CA ALA A 89 -11.382 5.897 -5.694 1.00 0.00 C ATOM 1165 C ALA A 89 -12.641 6.252 -4.938 1.00 0.00 C ATOM 1166 O ALA A 89 -12.656 6.864 -3.870 1.00 0.00 O ATOM 1167 CB ALA A 89 -10.537 4.965 -4.866 1.00 0.00 C ATOM 0 H ALA A 89 -9.614 6.579 -6.489 1.00 0.00 H new ATOM 0 HA ALA A 89 -11.798 5.446 -6.595 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -11.166 4.179 -4.448 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.766 4.518 -5.494 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -10.067 5.523 -4.056 1.00 0.00 H new ATOM 1173 N ALA A 90 -13.664 5.627 -5.497 1.00 0.00 N ATOM 1174 CA ALA A 90 -14.976 5.541 -4.994 1.00 0.00 C ATOM 1175 C ALA A 90 -15.067 4.159 -4.317 1.00 0.00 C ATOM 1176 O ALA A 90 -14.118 3.682 -3.696 1.00 0.00 O ATOM 1177 CB ALA A 90 -15.903 5.620 -6.186 1.00 0.00 C ATOM 0 H ALA A 90 -13.563 5.135 -6.385 1.00 0.00 H new ATOM 0 HA ALA A 90 -15.237 6.327 -4.285 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -16.937 5.557 -5.847 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -15.748 6.566 -6.706 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -15.693 4.794 -6.866 1.00 0.00 H new ATOM 1183 N PHE A 91 -16.209 3.514 -4.547 1.00 0.00 N ATOM 1184 CA PHE A 91 -16.447 2.160 -4.076 1.00 0.00 C ATOM 1185 C PHE A 91 -15.607 1.231 -4.952 1.00 0.00 C ATOM 1186 O PHE A 91 -16.096 0.236 -5.488 1.00 0.00 O ATOM 1187 CB PHE A 91 -17.927 1.790 -4.209 1.00 0.00 C ATOM 1188 CG PHE A 91 -18.760 2.180 -3.026 1.00 0.00 C ATOM 1189 CD1 PHE A 91 -18.563 1.576 -1.797 1.00 0.00 C ATOM 1190 CD2 PHE A 91 -19.738 3.153 -3.146 1.00 0.00 C ATOM 1191 CE1 PHE A 91 -19.328 1.936 -0.704 1.00 0.00 C ATOM 1192 CE2 PHE A 91 -20.507 3.517 -2.057 1.00 0.00 C ATOM 1193 CZ PHE A 91 -20.301 2.908 -0.835 1.00 0.00 C ATOM 0 H PHE A 91 -16.990 3.918 -5.064 1.00 0.00 H new ATOM 0 HA PHE A 91 -16.176 2.072 -3.024 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -18.332 2.269 -5.100 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -18.010 0.714 -4.360 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -17.804 0.815 -1.691 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -19.901 3.632 -4.100 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -19.166 1.458 0.251 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -21.268 4.276 -2.162 1.00 0.00 H new ATOM 0 HZ PHE A 91 -20.900 3.191 0.018 1.00 0.00 H new ATOM 1203 N SER A 92 -14.340 1.614 -5.123 1.00 0.00 N ATOM 1204 CA SER A 92 -13.399 0.894 -5.958 1.00 0.00 C ATOM 1205 C SER A 92 -12.798 -0.301 -5.222 1.00 0.00 C ATOM 1206 O SER A 92 -12.439 -0.146 -4.036 1.00 0.00 O ATOM 1207 CB SER A 92 -12.289 1.860 -6.407 1.00 0.00 C ATOM 1208 OG SER A 92 -11.195 1.839 -5.508 1.00 0.00 O ATOM 1209 OXT SER A 92 -12.690 -1.380 -5.841 1.00 0.00 O ATOM 0 H SER A 92 -13.943 2.441 -4.678 1.00 0.00 H new ATOM 0 HA SER A 92 -13.928 0.506 -6.828 1.00 0.00 H new ATOM 0 HB2 SER A 92 -11.948 1.586 -7.405 1.00 0.00 H new ATOM 0 HB3 SER A 92 -12.689 2.872 -6.473 1.00 0.00 H new ATOM 0 HG SER A 92 -11.529 1.790 -4.588 1.00 0.00 H new