USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=11 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+ 140:sc= 0.227 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= -0.174 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN :FLIP amide:sc= -1.22 F(o=-2.6!,f=-1.2) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -140:sc= 0 USER MOD Single : A 55 GLN :FLIP amide:sc= 0 F(o=-2!,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0.00184 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot -160:sc= -1.33 USER MOD Single : A 75 SER OG : rot 138:sc= -1.13! USER MOD Single : A 92 SER OG : rot 60:sc= -3.24 USER MOD ----------------------------------------------------------------- ATOM 145 N CYS A 10 4.703 -10.253 -16.300 1.00 0.00 N ATOM 146 CA CYS A 10 5.303 -9.452 -17.366 1.00 0.00 C ATOM 147 C CYS A 10 6.747 -9.090 -17.014 1.00 0.00 C ATOM 148 O CYS A 10 7.320 -9.645 -16.077 1.00 0.00 O ATOM 149 CB CYS A 10 4.489 -8.183 -17.616 1.00 0.00 C ATOM 150 SG CYS A 10 3.803 -8.048 -19.298 1.00 0.00 S ATOM 0 HA CYS A 10 5.302 -10.048 -18.279 1.00 0.00 H new ATOM 0 HB2 CYS A 10 3.669 -8.144 -16.898 1.00 0.00 H new ATOM 0 HB3 CYS A 10 5.122 -7.316 -17.424 1.00 0.00 H new ATOM 155 N LEU A 11 7.334 -8.167 -17.773 1.00 0.00 N ATOM 156 CA LEU A 11 8.716 -7.745 -17.538 1.00 0.00 C ATOM 157 C LEU A 11 8.765 -6.419 -16.772 1.00 0.00 C ATOM 158 O LEU A 11 8.167 -5.427 -17.190 1.00 0.00 O ATOM 159 CB LEU A 11 9.460 -7.607 -18.870 1.00 0.00 C ATOM 160 CG LEU A 11 10.277 -8.832 -19.284 1.00 0.00 C ATOM 161 CD1 LEU A 11 9.392 -10.066 -19.363 1.00 0.00 C ATOM 162 CD2 LEU A 11 10.969 -8.585 -20.617 1.00 0.00 C ATOM 0 H LEU A 11 6.877 -7.697 -18.554 1.00 0.00 H new ATOM 0 HA LEU A 11 9.204 -8.508 -16.932 1.00 0.00 H new ATOM 0 HB2 LEU A 11 8.734 -7.391 -19.654 1.00 0.00 H new ATOM 0 HB3 LEU A 11 10.128 -6.748 -18.809 1.00 0.00 H new ATOM 0 HG LEU A 11 11.040 -9.007 -18.526 1.00 0.00 H new ATOM 0 HD11 LEU A 11 9.993 -10.926 -19.659 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.943 -10.255 -18.388 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.605 -9.903 -20.099 1.00 0.00 H new ATOM 0 HD21 LEU A 11 11.546 -9.467 -20.896 1.00 0.00 H new ATOM 0 HD22 LEU A 11 10.221 -8.383 -21.383 1.00 0.00 H new ATOM 0 HD23 LEU A 11 11.637 -7.728 -20.527 1.00 0.00 H new ATOM 174 N PRO A 12 9.465 -6.383 -15.619 1.00 0.00 N ATOM 175 CA PRO A 12 9.561 -5.180 -14.796 1.00 0.00 C ATOM 176 C PRO A 12 9.809 -3.893 -15.576 1.00 0.00 C ATOM 177 O PRO A 12 10.191 -3.908 -16.751 1.00 0.00 O ATOM 178 CB PRO A 12 10.757 -5.457 -13.894 1.00 0.00 C ATOM 179 CG PRO A 12 10.822 -6.931 -13.763 1.00 0.00 C ATOM 180 CD PRO A 12 10.191 -7.517 -15.007 1.00 0.00 C ATOM 0 HA PRO A 12 8.617 -5.007 -14.279 1.00 0.00 H new ATOM 0 HB2 PRO A 12 11.675 -5.061 -14.327 1.00 0.00 H new ATOM 0 HB3 PRO A 12 10.633 -4.982 -12.921 1.00 0.00 H new ATOM 0 HG2 PRO A 12 11.855 -7.263 -13.662 1.00 0.00 H new ATOM 0 HG3 PRO A 12 10.292 -7.262 -12.870 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.945 -7.918 -15.684 1.00 0.00 H new ATOM 0 HD3 PRO A 12 9.515 -8.336 -14.762 1.00 0.00 H new ATOM 188 N CYS A 13 9.585 -2.782 -14.877 1.00 0.00 N ATOM 189 CA CYS A 13 9.751 -1.458 -15.416 1.00 0.00 C ATOM 190 C CYS A 13 10.164 -0.495 -14.308 1.00 0.00 C ATOM 191 O CYS A 13 10.614 -0.917 -13.241 1.00 0.00 O ATOM 192 CB CYS A 13 8.450 -0.995 -16.097 1.00 0.00 C ATOM 193 SG CYS A 13 8.593 0.510 -17.116 1.00 0.00 S ATOM 0 H CYS A 13 9.278 -2.790 -13.904 1.00 0.00 H new ATOM 0 HA CYS A 13 10.539 -1.472 -16.169 1.00 0.00 H new ATOM 0 HB2 CYS A 13 8.081 -1.805 -16.726 1.00 0.00 H new ATOM 0 HB3 CYS A 13 7.699 -0.822 -15.327 1.00 0.00 H new ATOM 198 N GLY A 14 9.968 0.783 -14.555 1.00 0.00 N ATOM 199 CA GLY A 14 10.296 1.786 -13.569 1.00 0.00 C ATOM 200 C GLY A 14 11.712 1.652 -13.049 1.00 0.00 C ATOM 201 O GLY A 14 12.621 1.276 -13.786 1.00 0.00 O ATOM 0 H GLY A 14 9.585 1.149 -15.427 1.00 0.00 H new ATOM 0 HA2 GLY A 14 10.166 2.776 -14.006 1.00 0.00 H new ATOM 0 HA3 GLY A 14 9.598 1.712 -12.735 1.00 0.00 H new ATOM 205 N PRO A 15 11.917 1.980 -11.773 1.00 0.00 N ATOM 206 CA PRO A 15 13.223 1.922 -11.120 1.00 0.00 C ATOM 207 C PRO A 15 13.549 0.526 -10.574 1.00 0.00 C ATOM 208 O PRO A 15 13.370 0.256 -9.386 1.00 0.00 O ATOM 209 CB PRO A 15 13.020 2.932 -9.996 1.00 0.00 C ATOM 210 CG PRO A 15 11.628 2.675 -9.570 1.00 0.00 C ATOM 211 CD PRO A 15 10.878 2.469 -10.856 1.00 0.00 C ATOM 0 HA PRO A 15 14.060 2.136 -11.784 1.00 0.00 H new ATOM 0 HB2 PRO A 15 13.727 2.777 -9.181 1.00 0.00 H new ATOM 0 HB3 PRO A 15 13.154 3.956 -10.344 1.00 0.00 H new ATOM 0 HG2 PRO A 15 11.564 1.797 -8.927 1.00 0.00 H new ATOM 0 HG3 PRO A 15 11.224 3.514 -9.004 1.00 0.00 H new ATOM 0 HD2 PRO A 15 10.070 1.747 -10.740 1.00 0.00 H new ATOM 0 HD3 PRO A 15 10.428 3.395 -11.213 1.00 0.00 H new ATOM 219 N GLY A 16 14.029 -0.351 -11.454 1.00 0.00 N ATOM 220 CA GLY A 16 14.371 -1.711 -11.060 1.00 0.00 C ATOM 221 C GLY A 16 13.342 -2.724 -11.531 1.00 0.00 C ATOM 222 O GLY A 16 13.633 -3.590 -12.356 1.00 0.00 O ATOM 0 H GLY A 16 14.188 -0.143 -12.440 1.00 0.00 H new ATOM 0 HA2 GLY A 16 15.347 -1.971 -11.470 1.00 0.00 H new ATOM 0 HA3 GLY A 16 14.457 -1.762 -9.975 1.00 0.00 H new ATOM 226 N GLY A 17 12.131 -2.586 -11.018 1.00 0.00 N ATOM 227 CA GLY A 17 11.034 -3.448 -11.384 1.00 0.00 C ATOM 228 C GLY A 17 9.779 -3.084 -10.636 1.00 0.00 C ATOM 229 O GLY A 17 8.977 -3.934 -10.250 1.00 0.00 O ATOM 0 H GLY A 17 11.886 -1.869 -10.335 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.854 -3.376 -12.457 1.00 0.00 H new ATOM 0 HA3 GLY A 17 11.297 -4.485 -11.174 1.00 0.00 H new ATOM 233 N LYS A 18 9.637 -1.791 -10.462 1.00 0.00 N ATOM 234 CA LYS A 18 8.520 -1.185 -9.785 1.00 0.00 C ATOM 235 C LYS A 18 7.259 -1.343 -10.595 1.00 0.00 C ATOM 236 O LYS A 18 6.141 -1.341 -10.076 1.00 0.00 O ATOM 237 CB LYS A 18 8.812 0.287 -9.664 1.00 0.00 C ATOM 238 CG LYS A 18 9.256 0.740 -8.313 1.00 0.00 C ATOM 239 CD LYS A 18 10.084 -0.320 -7.635 1.00 0.00 C ATOM 240 CE LYS A 18 10.564 0.119 -6.260 1.00 0.00 C ATOM 241 NZ LYS A 18 9.705 -0.427 -5.172 1.00 0.00 N ATOM 0 H LYS A 18 10.319 -1.112 -10.800 1.00 0.00 H new ATOM 0 HA LYS A 18 8.381 -1.659 -8.813 1.00 0.00 H new ATOM 0 HB2 LYS A 18 9.583 0.548 -10.388 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.915 0.842 -9.939 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.838 1.657 -8.406 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.386 0.975 -7.700 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.495 -1.232 -7.538 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.945 -0.561 -8.259 1.00 0.00 H new ATOM 0 HE2 LYS A 18 11.592 -0.212 -6.112 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.569 1.208 -6.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.302 -0.721 -4.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.038 0.306 -4.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 9.174 -1.248 -5.527 1.00 0.00 H new ATOM 255 N GLY A 19 7.477 -1.516 -11.869 1.00 0.00 N ATOM 256 CA GLY A 19 6.439 -1.718 -12.816 1.00 0.00 C ATOM 257 C GLY A 19 6.861 -2.691 -13.890 1.00 0.00 C ATOM 258 O GLY A 19 7.672 -3.579 -13.657 1.00 0.00 O ATOM 0 H GLY A 19 8.411 -1.519 -12.279 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.550 -2.094 -12.310 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.168 -0.765 -13.271 1.00 0.00 H new ATOM 262 N ARG A 20 6.267 -2.511 -15.047 1.00 0.00 N ATOM 263 CA ARG A 20 6.515 -3.346 -16.192 1.00 0.00 C ATOM 264 C ARG A 20 5.969 -2.675 -17.448 1.00 0.00 C ATOM 265 O ARG A 20 5.410 -1.589 -17.372 1.00 0.00 O ATOM 266 CB ARG A 20 5.850 -4.670 -15.948 1.00 0.00 C ATOM 267 CG ARG A 20 4.375 -4.510 -15.721 1.00 0.00 C ATOM 268 CD ARG A 20 3.624 -5.778 -16.026 1.00 0.00 C ATOM 269 NE ARG A 20 2.861 -6.270 -14.879 1.00 0.00 N ATOM 270 CZ ARG A 20 3.372 -6.439 -13.659 1.00 0.00 C ATOM 271 NH1 ARG A 20 4.650 -6.179 -13.417 1.00 0.00 N ATOM 272 NH2 ARG A 20 2.602 -6.881 -12.676 1.00 0.00 N ATOM 0 H ARG A 20 5.589 -1.769 -15.218 1.00 0.00 H new ATOM 0 HA ARG A 20 7.584 -3.498 -16.340 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.019 -5.326 -16.802 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.303 -5.152 -15.081 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.195 -4.221 -14.685 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.996 -3.703 -16.348 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.945 -5.602 -16.861 1.00 0.00 H new ATOM 0 HD3 ARG A 20 4.329 -6.546 -16.345 1.00 0.00 H new ATOM 0 HE ARG A 20 1.877 -6.498 -15.021 1.00 0.00 H new ATOM 0 HH11 ARG A 20 5.254 -5.846 -14.168 1.00 0.00 H new ATOM 0 HH12 ARG A 20 5.029 -6.312 -12.479 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.620 -7.092 -12.853 1.00 0.00 H new ATOM 0 HH22 ARG A 20 2.991 -7.011 -11.742 1.00 0.00 H new ATOM 286 N CYS A 21 6.106 -3.345 -18.585 1.00 0.00 N ATOM 287 CA CYS A 21 5.604 -2.841 -19.865 1.00 0.00 C ATOM 288 C CYS A 21 4.351 -3.608 -20.240 1.00 0.00 C ATOM 289 O CYS A 21 4.353 -4.836 -20.166 1.00 0.00 O ATOM 290 CB CYS A 21 6.651 -3.061 -20.946 1.00 0.00 C ATOM 291 SG CYS A 21 7.511 -1.555 -21.508 1.00 0.00 S ATOM 0 H CYS A 21 6.567 -4.252 -18.650 1.00 0.00 H new ATOM 0 HA CYS A 21 5.385 -1.777 -19.775 1.00 0.00 H new ATOM 0 HB2 CYS A 21 7.393 -3.767 -20.573 1.00 0.00 H new ATOM 0 HB3 CYS A 21 6.171 -3.528 -21.806 1.00 0.00 H new ATOM 296 N PHE A 22 3.264 -2.933 -20.599 1.00 0.00 N ATOM 297 CA PHE A 22 2.026 -3.640 -20.913 1.00 0.00 C ATOM 298 C PHE A 22 1.790 -3.803 -22.416 1.00 0.00 C ATOM 299 O PHE A 22 0.851 -4.490 -22.822 1.00 0.00 O ATOM 300 CB PHE A 22 0.853 -2.887 -20.283 1.00 0.00 C ATOM 301 CG PHE A 22 0.775 -3.034 -18.791 1.00 0.00 C ATOM 302 CD1 PHE A 22 1.927 -3.074 -18.018 1.00 0.00 C ATOM 303 CD2 PHE A 22 -0.452 -3.134 -18.159 1.00 0.00 C ATOM 304 CE1 PHE A 22 1.844 -3.211 -16.649 1.00 0.00 C ATOM 305 CE2 PHE A 22 -0.532 -3.273 -16.787 1.00 0.00 C ATOM 306 CZ PHE A 22 0.618 -3.311 -16.035 1.00 0.00 C ATOM 0 H PHE A 22 3.213 -1.917 -20.679 1.00 0.00 H new ATOM 0 HA PHE A 22 2.110 -4.646 -20.502 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.936 -1.829 -20.531 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -0.077 -3.246 -20.724 1.00 0.00 H new ATOM 0 HD1 PHE A 22 2.894 -2.997 -18.492 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.358 -3.103 -18.746 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.746 -3.240 -16.056 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.496 -3.352 -16.306 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.558 -3.419 -14.962 1.00 0.00 H new ATOM 316 N GLY A 23 2.646 -3.209 -23.248 1.00 0.00 N ATOM 317 CA GLY A 23 2.460 -3.381 -24.681 1.00 0.00 C ATOM 318 C GLY A 23 2.996 -2.276 -25.579 1.00 0.00 C ATOM 319 O GLY A 23 4.043 -2.449 -26.203 1.00 0.00 O ATOM 0 H GLY A 23 3.439 -2.631 -22.969 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.933 -4.318 -24.975 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.393 -3.489 -24.875 1.00 0.00 H new ATOM 323 N PRO A 24 2.272 -1.149 -25.736 1.00 0.00 N ATOM 324 CA PRO A 24 2.678 -0.082 -26.640 1.00 0.00 C ATOM 325 C PRO A 24 3.376 1.071 -25.944 1.00 0.00 C ATOM 326 O PRO A 24 2.730 2.022 -25.505 1.00 0.00 O ATOM 327 CB PRO A 24 1.329 0.360 -27.188 1.00 0.00 C ATOM 328 CG PRO A 24 0.390 0.217 -26.035 1.00 0.00 C ATOM 329 CD PRO A 24 0.971 -0.835 -25.111 1.00 0.00 C ATOM 0 HA PRO A 24 3.406 -0.410 -27.382 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.364 1.389 -27.546 1.00 0.00 H new ATOM 0 HB3 PRO A 24 1.021 -0.260 -28.030 1.00 0.00 H new ATOM 0 HG2 PRO A 24 0.275 1.167 -25.513 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -0.601 -0.079 -26.380 1.00 0.00 H new ATOM 0 HD2 PRO A 24 1.092 -0.457 -24.096 1.00 0.00 H new ATOM 0 HD3 PRO A 24 0.331 -1.715 -25.049 1.00 0.00 H new ATOM 337 N SER A 25 4.701 0.987 -25.836 1.00 0.00 N ATOM 338 CA SER A 25 5.465 2.042 -25.180 1.00 0.00 C ATOM 339 C SER A 25 4.934 2.279 -23.778 1.00 0.00 C ATOM 340 O SER A 25 5.198 3.318 -23.173 1.00 0.00 O ATOM 341 CB SER A 25 5.344 3.346 -25.969 1.00 0.00 C ATOM 342 OG SER A 25 6.522 4.123 -25.857 1.00 0.00 O ATOM 0 H SER A 25 5.260 0.210 -26.189 1.00 0.00 H new ATOM 0 HA SER A 25 6.508 1.729 -25.134 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.151 3.123 -27.018 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.492 3.918 -25.603 1.00 0.00 H new ATOM 0 HG SER A 25 6.418 4.950 -26.372 1.00 0.00 H new ATOM 348 N ILE A 26 4.143 1.339 -23.280 1.00 0.00 N ATOM 349 CA ILE A 26 3.528 1.498 -21.986 1.00 0.00 C ATOM 350 C ILE A 26 4.249 0.764 -20.882 1.00 0.00 C ATOM 351 O ILE A 26 4.997 -0.186 -21.105 1.00 0.00 O ATOM 352 CB ILE A 26 2.059 1.053 -22.024 1.00 0.00 C ATOM 353 CG1 ILE A 26 1.221 1.947 -21.149 1.00 0.00 C ATOM 354 CG2 ILE A 26 1.888 -0.378 -21.573 1.00 0.00 C ATOM 355 CD1 ILE A 26 -0.237 1.924 -21.557 1.00 0.00 C ATOM 0 H ILE A 26 3.918 0.465 -23.756 1.00 0.00 H new ATOM 0 HA ILE A 26 3.591 2.562 -21.757 1.00 0.00 H new ATOM 0 HB ILE A 26 1.730 1.126 -23.061 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.313 1.629 -20.110 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.598 2.968 -21.205 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.833 -0.650 -21.616 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.459 -1.036 -22.227 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.248 -0.482 -20.549 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.809 2.581 -20.902 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.332 2.267 -22.587 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.622 0.907 -21.476 1.00 0.00 H new ATOM 367 N CYS A 27 3.994 1.244 -19.682 1.00 0.00 N ATOM 368 CA CYS A 27 4.570 0.709 -18.494 1.00 0.00 C ATOM 369 C CYS A 27 3.662 1.005 -17.306 1.00 0.00 C ATOM 370 O CYS A 27 3.000 2.042 -17.257 1.00 0.00 O ATOM 371 CB CYS A 27 5.931 1.325 -18.306 1.00 0.00 C ATOM 372 SG CYS A 27 7.311 0.187 -18.648 1.00 0.00 S ATOM 0 H CYS A 27 3.367 2.032 -19.516 1.00 0.00 H new ATOM 0 HA CYS A 27 4.676 -0.373 -18.572 1.00 0.00 H new ATOM 0 HB2 CYS A 27 6.019 2.193 -18.959 1.00 0.00 H new ATOM 0 HB3 CYS A 27 6.017 1.687 -17.281 1.00 0.00 H new ATOM 377 N CYS A 28 3.630 0.091 -16.362 1.00 0.00 N ATOM 378 CA CYS A 28 2.808 0.230 -15.187 1.00 0.00 C ATOM 379 C CYS A 28 3.545 -0.314 -13.985 1.00 0.00 C ATOM 380 O CYS A 28 3.976 -1.469 -13.981 1.00 0.00 O ATOM 381 CB CYS A 28 1.489 -0.516 -15.380 1.00 0.00 C ATOM 382 SG CYS A 28 0.043 0.295 -14.637 1.00 0.00 S ATOM 0 H CYS A 28 4.175 -0.770 -16.390 1.00 0.00 H new ATOM 0 HA CYS A 28 2.590 1.285 -15.023 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.310 -0.640 -16.448 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.587 -1.515 -14.955 1.00 0.00 H new ATOM 387 N GLY A 29 3.669 0.502 -12.962 1.00 0.00 N ATOM 388 CA GLY A 29 4.321 0.079 -11.773 1.00 0.00 C ATOM 389 C GLY A 29 3.346 0.015 -10.617 1.00 0.00 C ATOM 390 O GLY A 29 2.247 0.562 -10.717 1.00 0.00 O ATOM 0 H GLY A 29 3.322 1.461 -12.943 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.771 -0.901 -11.929 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.131 0.767 -11.533 1.00 0.00 H new ATOM 394 N ASP A 30 3.715 -0.642 -9.523 1.00 0.00 N ATOM 395 CA ASP A 30 2.817 -0.740 -8.385 1.00 0.00 C ATOM 396 C ASP A 30 2.721 0.629 -7.729 1.00 0.00 C ATOM 397 O ASP A 30 1.808 1.402 -8.018 1.00 0.00 O ATOM 398 CB ASP A 30 3.321 -1.790 -7.388 1.00 0.00 C ATOM 399 CG ASP A 30 2.387 -2.981 -7.280 1.00 0.00 C ATOM 400 OD1 ASP A 30 1.290 -2.823 -6.704 1.00 0.00 O ATOM 401 OD2 ASP A 30 2.754 -4.069 -7.770 1.00 0.00 O ATOM 0 H ASP A 30 4.615 -1.107 -9.403 1.00 0.00 H new ATOM 0 HA ASP A 30 1.829 -1.056 -8.719 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.309 -2.133 -7.695 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.434 -1.330 -6.406 1.00 0.00 H new ATOM 406 N GLU A 31 3.708 0.955 -6.911 1.00 0.00 N ATOM 407 CA GLU A 31 3.784 2.259 -6.284 1.00 0.00 C ATOM 408 C GLU A 31 4.155 3.295 -7.344 1.00 0.00 C ATOM 409 O GLU A 31 4.333 4.480 -7.065 1.00 0.00 O ATOM 410 CB GLU A 31 4.877 2.236 -5.220 1.00 0.00 C ATOM 411 CG GLU A 31 6.249 1.875 -5.786 1.00 0.00 C ATOM 412 CD GLU A 31 7.343 2.812 -5.311 1.00 0.00 C ATOM 413 OE1 GLU A 31 7.170 4.041 -5.444 1.00 0.00 O ATOM 414 OE2 GLU A 31 8.372 2.316 -4.806 1.00 0.00 O ATOM 0 H GLU A 31 4.473 0.326 -6.666 1.00 0.00 H new ATOM 0 HA GLU A 31 2.825 2.510 -5.830 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.933 3.214 -4.742 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.608 1.517 -4.446 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.500 0.854 -5.497 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.205 1.896 -6.875 1.00 0.00 H new ATOM 421 N LEU A 32 4.362 2.778 -8.543 1.00 0.00 N ATOM 422 CA LEU A 32 4.823 3.518 -9.685 1.00 0.00 C ATOM 423 C LEU A 32 3.708 4.084 -10.557 1.00 0.00 C ATOM 424 O LEU A 32 3.922 5.022 -11.325 1.00 0.00 O ATOM 425 CB LEU A 32 5.621 2.498 -10.449 1.00 0.00 C ATOM 426 CG LEU A 32 7.044 2.804 -10.808 1.00 0.00 C ATOM 427 CD1 LEU A 32 7.385 1.989 -12.028 1.00 0.00 C ATOM 428 CD2 LEU A 32 7.296 4.279 -11.042 1.00 0.00 C ATOM 0 H LEU A 32 4.205 1.791 -8.746 1.00 0.00 H new ATOM 0 HA LEU A 32 5.383 4.401 -9.379 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.620 1.577 -9.866 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.086 2.290 -11.376 1.00 0.00 H new ATOM 0 HG LEU A 32 7.688 2.539 -9.969 1.00 0.00 H new ATOM 0 HD11 LEU A 32 8.416 2.186 -12.320 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.268 0.929 -11.802 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.718 2.262 -12.846 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.344 4.433 -11.298 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.667 4.630 -11.860 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.058 4.837 -10.136 1.00 0.00 H new ATOM 440 N GLY A 33 2.532 3.510 -10.442 1.00 0.00 N ATOM 441 CA GLY A 33 1.412 3.965 -11.231 1.00 0.00 C ATOM 442 C GLY A 33 1.478 3.454 -12.651 1.00 0.00 C ATOM 443 O GLY A 33 2.197 2.499 -12.936 1.00 0.00 O ATOM 0 H GLY A 33 2.328 2.733 -9.814 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.483 3.632 -10.768 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.392 5.055 -11.238 1.00 0.00 H new ATOM 447 N CYS A 34 0.731 4.069 -13.556 1.00 0.00 N ATOM 448 CA CYS A 34 0.730 3.617 -14.941 1.00 0.00 C ATOM 449 C CYS A 34 1.196 4.683 -15.928 1.00 0.00 C ATOM 450 O CYS A 34 0.490 5.658 -16.186 1.00 0.00 O ATOM 451 CB CYS A 34 -0.658 3.137 -15.332 1.00 0.00 C ATOM 452 SG CYS A 34 -0.652 1.496 -16.113 1.00 0.00 S ATOM 0 H CYS A 34 0.128 4.868 -13.363 1.00 0.00 H new ATOM 0 HA CYS A 34 1.447 2.798 -14.996 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.289 3.108 -14.444 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.105 3.857 -16.017 1.00 0.00 H new ATOM 457 N PHE A 35 2.381 4.470 -16.498 1.00 0.00 N ATOM 458 CA PHE A 35 2.941 5.398 -17.481 1.00 0.00 C ATOM 459 C PHE A 35 2.767 4.863 -18.895 1.00 0.00 C ATOM 460 O PHE A 35 2.845 3.655 -19.125 1.00 0.00 O ATOM 461 CB PHE A 35 4.443 5.619 -17.266 1.00 0.00 C ATOM 462 CG PHE A 35 4.898 5.630 -15.841 1.00 0.00 C ATOM 463 CD1 PHE A 35 4.880 4.471 -15.088 1.00 0.00 C ATOM 464 CD2 PHE A 35 5.360 6.798 -15.261 1.00 0.00 C ATOM 465 CE1 PHE A 35 5.309 4.479 -13.782 1.00 0.00 C ATOM 466 CE2 PHE A 35 5.792 6.811 -13.956 1.00 0.00 C ATOM 467 CZ PHE A 35 5.764 5.654 -13.218 1.00 0.00 C ATOM 0 H PHE A 35 2.972 3.664 -16.297 1.00 0.00 H new ATOM 0 HA PHE A 35 2.403 6.337 -17.350 1.00 0.00 H new ATOM 0 HB2 PHE A 35 4.986 4.837 -17.796 1.00 0.00 H new ATOM 0 HB3 PHE A 35 4.722 6.568 -17.725 1.00 0.00 H new ATOM 0 HD1 PHE A 35 4.526 3.551 -15.530 1.00 0.00 H new ATOM 0 HD2 PHE A 35 5.381 7.710 -15.840 1.00 0.00 H new ATOM 0 HE1 PHE A 35 5.290 3.570 -13.200 1.00 0.00 H new ATOM 0 HE2 PHE A 35 6.152 7.728 -13.513 1.00 0.00 H new ATOM 0 HZ PHE A 35 6.099 5.663 -12.191 1.00 0.00 H new ATOM 477 N VAL A 36 2.586 5.766 -19.847 1.00 0.00 N ATOM 478 CA VAL A 36 2.468 5.378 -21.242 1.00 0.00 C ATOM 479 C VAL A 36 3.353 6.258 -22.094 1.00 0.00 C ATOM 480 O VAL A 36 3.190 7.478 -22.137 1.00 0.00 O ATOM 481 CB VAL A 36 1.033 5.442 -21.783 1.00 0.00 C ATOM 482 CG1 VAL A 36 0.959 4.711 -23.122 1.00 0.00 C ATOM 483 CG2 VAL A 36 0.053 4.862 -20.776 1.00 0.00 C ATOM 0 H VAL A 36 2.518 6.770 -19.678 1.00 0.00 H new ATOM 0 HA VAL A 36 2.782 4.335 -21.293 1.00 0.00 H new ATOM 0 HB VAL A 36 0.754 6.483 -21.943 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.060 4.757 -23.506 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.636 5.185 -23.833 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.248 3.669 -22.984 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.958 4.917 -21.179 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.308 3.821 -20.578 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.105 5.431 -19.848 1.00 0.00 H new ATOM 493 N GLY A 37 4.301 5.624 -22.756 1.00 0.00 N ATOM 494 CA GLY A 37 5.235 6.351 -23.596 1.00 0.00 C ATOM 495 C GLY A 37 6.011 7.399 -22.814 1.00 0.00 C ATOM 496 O GLY A 37 6.573 8.328 -23.395 1.00 0.00 O ATOM 0 H GLY A 37 4.445 4.615 -22.730 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.933 5.649 -24.053 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.691 6.834 -24.408 1.00 0.00 H new ATOM 500 N THR A 38 6.030 7.252 -21.490 1.00 0.00 N ATOM 501 CA THR A 38 6.730 8.191 -20.615 1.00 0.00 C ATOM 502 C THR A 38 8.130 7.680 -20.270 1.00 0.00 C ATOM 503 O THR A 38 8.512 6.579 -20.664 1.00 0.00 O ATOM 504 CB THR A 38 5.919 8.405 -19.331 1.00 0.00 C ATOM 505 OG1 THR A 38 4.564 8.682 -19.636 1.00 0.00 O ATOM 506 CG2 THR A 38 6.427 9.538 -18.466 1.00 0.00 C ATOM 0 H THR A 38 5.566 6.488 -20.998 1.00 0.00 H new ATOM 0 HA THR A 38 6.835 9.140 -21.141 1.00 0.00 H new ATOM 0 HB THR A 38 6.026 7.474 -18.775 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.062 8.814 -18.805 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.802 9.626 -17.578 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.455 9.335 -18.167 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.390 10.470 -19.029 1.00 0.00 H new ATOM 514 N ALA A 39 8.881 8.477 -19.516 1.00 0.00 N ATOM 515 CA ALA A 39 10.226 8.110 -19.101 1.00 0.00 C ATOM 516 C ALA A 39 10.221 6.827 -18.278 1.00 0.00 C ATOM 517 O ALA A 39 10.963 5.895 -18.563 1.00 0.00 O ATOM 518 CB ALA A 39 10.860 9.243 -18.309 1.00 0.00 C ATOM 0 H ALA A 39 8.575 9.389 -19.178 1.00 0.00 H new ATOM 0 HA ALA A 39 10.818 7.930 -19.999 1.00 0.00 H new ATOM 0 HB1 ALA A 39 11.866 8.955 -18.004 1.00 0.00 H new ATOM 0 HB2 ALA A 39 10.911 10.137 -18.930 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.258 9.449 -17.424 1.00 0.00 H new ATOM 524 N GLU A 40 9.373 6.776 -17.262 1.00 0.00 N ATOM 525 CA GLU A 40 9.272 5.596 -16.414 1.00 0.00 C ATOM 526 C GLU A 40 8.677 4.406 -17.174 1.00 0.00 C ATOM 527 O GLU A 40 8.333 3.388 -16.570 1.00 0.00 O ATOM 528 CB GLU A 40 8.418 5.914 -15.191 1.00 0.00 C ATOM 529 CG GLU A 40 9.223 6.080 -13.913 1.00 0.00 C ATOM 530 CD GLU A 40 9.607 7.522 -13.649 1.00 0.00 C ATOM 531 OE1 GLU A 40 8.763 8.414 -13.881 1.00 0.00 O ATOM 532 OE2 GLU A 40 10.751 7.762 -13.209 1.00 0.00 O ATOM 0 H GLU A 40 8.745 7.537 -17.004 1.00 0.00 H new ATOM 0 HA GLU A 40 10.278 5.319 -16.098 1.00 0.00 H new ATOM 0 HB2 GLU A 40 7.857 6.829 -15.378 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.689 5.116 -15.050 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.643 5.702 -13.071 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.126 5.473 -13.976 1.00 0.00 H new ATOM 539 N ALA A 41 8.505 4.557 -18.490 1.00 0.00 N ATOM 540 CA ALA A 41 7.900 3.516 -19.308 1.00 0.00 C ATOM 541 C ALA A 41 8.735 3.135 -20.525 1.00 0.00 C ATOM 542 O ALA A 41 8.376 2.231 -21.281 1.00 0.00 O ATOM 543 CB ALA A 41 6.562 3.997 -19.788 1.00 0.00 C ATOM 0 H ALA A 41 8.778 5.393 -19.007 1.00 0.00 H new ATOM 0 HA ALA A 41 7.819 2.629 -18.680 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.097 3.226 -20.403 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.924 4.212 -18.931 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.692 4.903 -20.380 1.00 0.00 H new ATOM 549 N LEU A 42 9.854 3.801 -20.691 1.00 0.00 N ATOM 550 CA LEU A 42 10.765 3.524 -21.785 1.00 0.00 C ATOM 551 C LEU A 42 11.293 2.092 -21.721 1.00 0.00 C ATOM 552 O LEU A 42 11.938 1.619 -22.654 1.00 0.00 O ATOM 553 CB LEU A 42 11.940 4.505 -21.744 1.00 0.00 C ATOM 554 CG LEU A 42 12.610 4.716 -20.372 1.00 0.00 C ATOM 555 CD1 LEU A 42 12.175 3.669 -19.346 1.00 0.00 C ATOM 556 CD2 LEU A 42 14.126 4.707 -20.520 1.00 0.00 C ATOM 0 H LEU A 42 10.162 4.551 -20.073 1.00 0.00 H new ATOM 0 HA LEU A 42 10.215 3.644 -22.718 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.699 4.158 -22.445 1.00 0.00 H new ATOM 0 HB3 LEU A 42 11.590 5.472 -22.106 1.00 0.00 H new ATOM 0 HG LEU A 42 12.286 5.688 -20.000 1.00 0.00 H new ATOM 0 HD11 LEU A 42 12.674 3.861 -18.396 1.00 0.00 H new ATOM 0 HD12 LEU A 42 11.095 3.724 -19.206 1.00 0.00 H new ATOM 0 HD13 LEU A 42 12.445 2.675 -19.703 1.00 0.00 H new ATOM 0 HD21 LEU A 42 14.588 4.857 -19.544 1.00 0.00 H new ATOM 0 HD22 LEU A 42 14.446 3.749 -20.929 1.00 0.00 H new ATOM 0 HD23 LEU A 42 14.431 5.509 -21.193 1.00 0.00 H new ATOM 568 N ARG A 43 11.021 1.412 -20.610 1.00 0.00 N ATOM 569 CA ARG A 43 11.477 0.043 -20.397 1.00 0.00 C ATOM 570 C ARG A 43 11.192 -0.862 -21.585 1.00 0.00 C ATOM 571 O ARG A 43 11.800 -1.923 -21.721 1.00 0.00 O ATOM 572 CB ARG A 43 10.806 -0.532 -19.169 1.00 0.00 C ATOM 573 CG ARG A 43 11.775 -0.912 -18.064 1.00 0.00 C ATOM 574 CD ARG A 43 12.647 0.261 -17.650 1.00 0.00 C ATOM 575 NE ARG A 43 13.034 0.189 -16.242 1.00 0.00 N ATOM 576 CZ ARG A 43 13.931 -0.670 -15.761 1.00 0.00 C ATOM 577 NH1 ARG A 43 14.535 -1.532 -16.565 1.00 0.00 N ATOM 578 NH2 ARG A 43 14.223 -0.663 -14.471 1.00 0.00 N ATOM 0 H ARG A 43 10.480 1.794 -19.835 1.00 0.00 H new ATOM 0 HA ARG A 43 12.558 0.085 -20.264 1.00 0.00 H new ATOM 0 HB2 ARG A 43 10.094 0.196 -18.781 1.00 0.00 H new ATOM 0 HB3 ARG A 43 10.234 -1.414 -19.458 1.00 0.00 H new ATOM 0 HG2 ARG A 43 11.217 -1.273 -17.200 1.00 0.00 H new ATOM 0 HG3 ARG A 43 12.407 -1.733 -18.401 1.00 0.00 H new ATOM 0 HD2 ARG A 43 13.543 0.283 -18.271 1.00 0.00 H new ATOM 0 HD3 ARG A 43 12.111 1.192 -17.831 1.00 0.00 H new ATOM 0 HE ARG A 43 12.591 0.835 -15.589 1.00 0.00 H new ATOM 0 HH11 ARG A 43 14.314 -1.541 -17.561 1.00 0.00 H new ATOM 0 HH12 ARG A 43 15.221 -2.186 -16.188 1.00 0.00 H new ATOM 0 HH21 ARG A 43 13.762 -0.001 -13.847 1.00 0.00 H new ATOM 0 HH22 ARG A 43 14.910 -1.320 -14.100 1.00 0.00 H new ATOM 592 N CYS A 44 10.267 -0.452 -22.434 1.00 0.00 N ATOM 593 CA CYS A 44 9.919 -1.241 -23.597 1.00 0.00 C ATOM 594 C CYS A 44 11.057 -1.232 -24.605 1.00 0.00 C ATOM 595 O CYS A 44 11.133 -2.085 -25.486 1.00 0.00 O ATOM 596 CB CYS A 44 8.634 -0.730 -24.206 1.00 0.00 C ATOM 597 SG CYS A 44 7.138 -1.502 -23.507 1.00 0.00 S ATOM 0 H CYS A 44 9.746 0.420 -22.339 1.00 0.00 H new ATOM 0 HA CYS A 44 9.758 -2.275 -23.291 1.00 0.00 H new ATOM 0 HB2 CYS A 44 8.577 0.349 -24.062 1.00 0.00 H new ATOM 0 HB3 CYS A 44 8.656 -0.907 -25.281 1.00 0.00 H new ATOM 602 N GLN A 45 11.972 -0.286 -24.431 1.00 0.00 N ATOM 603 CA GLN A 45 13.141 -0.189 -25.277 1.00 0.00 C ATOM 604 C GLN A 45 13.987 -1.446 -25.101 1.00 0.00 C ATOM 605 O GLN A 45 14.798 -1.806 -25.955 1.00 0.00 O ATOM 606 CB GLN A 45 13.945 1.049 -24.899 1.00 0.00 C ATOM 607 CG GLN A 45 13.818 2.191 -25.895 1.00 0.00 C ATOM 608 CD GLN A 45 12.936 3.313 -25.385 1.00 0.00 C ATOM 609 OE1 GLN A 45 13.481 4.135 -24.496 1.00 0.00 O flip ATOM 610 NE2 GLN A 45 11.779 3.441 -25.785 1.00 0.00 N flip ATOM 0 H GLN A 45 11.920 0.427 -23.704 1.00 0.00 H new ATOM 0 HA GLN A 45 12.839 -0.102 -26.321 1.00 0.00 H new ATOM 0 HB2 GLN A 45 13.620 1.397 -23.918 1.00 0.00 H new ATOM 0 HB3 GLN A 45 14.996 0.774 -24.807 1.00 0.00 H new ATOM 0 HG2 GLN A 45 14.809 2.586 -26.118 1.00 0.00 H new ATOM 0 HG3 GLN A 45 13.409 1.809 -26.830 1.00 0.00 H new ATOM 0 HE21 GLN A 45 11.401 2.786 -26.469 1.00 0.00 H new ATOM 0 HE22 GLN A 45 11.199 4.202 -25.432 1.00 0.00 H new ATOM 619 N GLU A 46 13.743 -2.122 -23.979 1.00 0.00 N ATOM 620 CA GLU A 46 14.425 -3.363 -23.660 1.00 0.00 C ATOM 621 C GLU A 46 13.789 -4.497 -24.458 1.00 0.00 C ATOM 622 O GLU A 46 14.384 -5.558 -24.649 1.00 0.00 O ATOM 623 CB GLU A 46 14.369 -3.644 -22.147 1.00 0.00 C ATOM 624 CG GLU A 46 13.092 -4.322 -21.668 1.00 0.00 C ATOM 625 CD GLU A 46 13.244 -5.825 -21.527 1.00 0.00 C ATOM 626 OE1 GLU A 46 13.948 -6.431 -22.361 1.00 0.00 O ATOM 627 OE2 GLU A 46 12.660 -6.396 -20.581 1.00 0.00 O ATOM 0 H GLU A 46 13.070 -1.822 -23.273 1.00 0.00 H new ATOM 0 HA GLU A 46 15.477 -3.282 -23.933 1.00 0.00 H new ATOM 0 HB2 GLU A 46 15.219 -4.270 -21.877 1.00 0.00 H new ATOM 0 HB3 GLU A 46 14.485 -2.701 -21.612 1.00 0.00 H new ATOM 0 HG2 GLU A 46 12.799 -3.899 -20.707 1.00 0.00 H new ATOM 0 HG3 GLU A 46 12.286 -4.107 -22.370 1.00 0.00 H new ATOM 634 N GLU A 47 12.575 -4.242 -24.956 1.00 0.00 N ATOM 635 CA GLU A 47 11.858 -5.223 -25.766 1.00 0.00 C ATOM 636 C GLU A 47 12.410 -5.269 -27.192 1.00 0.00 C ATOM 637 O GLU A 47 11.869 -5.964 -28.052 1.00 0.00 O ATOM 638 CB GLU A 47 10.363 -4.890 -25.802 1.00 0.00 C ATOM 639 CG GLU A 47 9.554 -5.608 -24.735 1.00 0.00 C ATOM 640 CD GLU A 47 8.781 -6.787 -25.288 1.00 0.00 C ATOM 641 OE1 GLU A 47 7.822 -6.560 -26.056 1.00 0.00 O ATOM 642 OE2 GLU A 47 9.133 -7.937 -24.954 1.00 0.00 O ATOM 0 H GLU A 47 12.072 -3.366 -24.811 1.00 0.00 H new ATOM 0 HA GLU A 47 11.999 -6.202 -25.309 1.00 0.00 H new ATOM 0 HB2 GLU A 47 10.236 -3.814 -25.680 1.00 0.00 H new ATOM 0 HB3 GLU A 47 9.965 -5.149 -26.783 1.00 0.00 H new ATOM 0 HG2 GLU A 47 10.224 -5.954 -23.947 1.00 0.00 H new ATOM 0 HG3 GLU A 47 8.859 -4.905 -24.276 1.00 0.00 H new ATOM 649 N ASN A 48 13.483 -4.519 -27.440 1.00 0.00 N ATOM 650 CA ASN A 48 14.096 -4.466 -28.752 1.00 0.00 C ATOM 651 C ASN A 48 15.119 -5.584 -28.946 1.00 0.00 C ATOM 652 O ASN A 48 15.652 -5.759 -30.042 1.00 0.00 O ATOM 653 CB ASN A 48 14.767 -3.108 -28.964 1.00 0.00 C ATOM 654 CG ASN A 48 14.091 -2.293 -30.048 1.00 0.00 C ATOM 655 OD1 ASN A 48 14.212 -2.596 -31.235 1.00 0.00 O ATOM 656 ND2 ASN A 48 13.373 -1.251 -29.645 1.00 0.00 N ATOM 0 H ASN A 48 13.943 -3.938 -26.739 1.00 0.00 H new ATOM 0 HA ASN A 48 13.306 -4.604 -29.490 1.00 0.00 H new ATOM 0 HB2 ASN A 48 14.751 -2.548 -28.029 1.00 0.00 H new ATOM 0 HB3 ASN A 48 15.814 -3.260 -29.227 1.00 0.00 H new ATOM 0 HD21 ASN A 48 12.895 -0.666 -30.330 1.00 0.00 H new ATOM 0 HD22 ASN A 48 13.300 -1.036 -28.651 1.00 0.00 H new ATOM 663 N TYR A 49 15.394 -6.339 -27.886 1.00 0.00 N ATOM 664 CA TYR A 49 16.363 -7.430 -27.963 1.00 0.00 C ATOM 665 C TYR A 49 15.691 -8.731 -28.386 1.00 0.00 C ATOM 666 O TYR A 49 15.835 -9.172 -29.527 1.00 0.00 O ATOM 667 CB TYR A 49 17.066 -7.615 -26.615 1.00 0.00 C ATOM 668 CG TYR A 49 18.358 -6.838 -26.499 1.00 0.00 C ATOM 669 CD1 TYR A 49 19.363 -6.979 -27.449 1.00 0.00 C ATOM 670 CD2 TYR A 49 18.572 -5.960 -25.444 1.00 0.00 C ATOM 671 CE1 TYR A 49 20.543 -6.266 -27.350 1.00 0.00 C ATOM 672 CE2 TYR A 49 19.750 -5.244 -25.338 1.00 0.00 C ATOM 673 CZ TYR A 49 20.732 -5.400 -26.294 1.00 0.00 C ATOM 674 OH TYR A 49 21.905 -4.691 -26.191 1.00 0.00 O ATOM 0 H TYR A 49 14.963 -6.218 -26.969 1.00 0.00 H new ATOM 0 HA TYR A 49 17.105 -7.168 -28.717 1.00 0.00 H new ATOM 0 HB2 TYR A 49 16.392 -7.305 -25.817 1.00 0.00 H new ATOM 0 HB3 TYR A 49 17.273 -8.674 -26.464 1.00 0.00 H new ATOM 0 HD1 TYR A 49 19.220 -7.657 -28.278 1.00 0.00 H new ATOM 0 HD2 TYR A 49 17.805 -5.835 -24.694 1.00 0.00 H new ATOM 0 HE1 TYR A 49 21.314 -6.387 -28.097 1.00 0.00 H new ATOM 0 HE2 TYR A 49 19.901 -4.566 -24.511 1.00 0.00 H new ATOM 0 HH TYR A 49 21.877 -4.126 -25.391 1.00 0.00 H new ATOM 684 N LEU A 50 14.959 -9.347 -27.463 1.00 0.00 N ATOM 685 CA LEU A 50 14.269 -10.602 -27.747 1.00 0.00 C ATOM 686 C LEU A 50 12.844 -10.582 -27.190 1.00 0.00 C ATOM 687 O LEU A 50 12.650 -10.471 -25.979 1.00 0.00 O ATOM 688 CB LEU A 50 15.047 -11.779 -27.154 1.00 0.00 C ATOM 689 CG LEU A 50 15.529 -12.814 -28.173 1.00 0.00 C ATOM 690 CD1 LEU A 50 17.029 -12.688 -28.396 1.00 0.00 C ATOM 691 CD2 LEU A 50 15.173 -14.222 -27.714 1.00 0.00 C ATOM 0 H LEU A 50 14.828 -8.999 -26.513 1.00 0.00 H new ATOM 0 HA LEU A 50 14.212 -10.720 -28.829 1.00 0.00 H new ATOM 0 HB2 LEU A 50 15.912 -11.390 -26.617 1.00 0.00 H new ATOM 0 HB3 LEU A 50 14.415 -12.280 -26.420 1.00 0.00 H new ATOM 0 HG LEU A 50 15.025 -12.623 -29.120 1.00 0.00 H new ATOM 0 HD11 LEU A 50 17.352 -13.432 -29.124 1.00 0.00 H new ATOM 0 HD12 LEU A 50 17.259 -11.691 -28.771 1.00 0.00 H new ATOM 0 HD13 LEU A 50 17.552 -12.851 -27.454 1.00 0.00 H new ATOM 0 HD21 LEU A 50 15.524 -14.944 -28.451 1.00 0.00 H new ATOM 0 HD22 LEU A 50 15.649 -14.423 -26.754 1.00 0.00 H new ATOM 0 HD23 LEU A 50 14.092 -14.308 -27.608 1.00 0.00 H new ATOM 703 N PRO A 51 11.825 -10.686 -28.066 1.00 0.00 N ATOM 704 CA PRO A 51 10.414 -10.677 -27.652 1.00 0.00 C ATOM 705 C PRO A 51 10.141 -11.564 -26.441 1.00 0.00 C ATOM 706 O PRO A 51 10.630 -12.690 -26.360 1.00 0.00 O ATOM 707 CB PRO A 51 9.705 -11.220 -28.887 1.00 0.00 C ATOM 708 CG PRO A 51 10.527 -10.694 -30.002 1.00 0.00 C ATOM 709 CD PRO A 51 11.951 -10.817 -29.533 1.00 0.00 C ATOM 0 HA PRO A 51 10.083 -9.687 -27.339 1.00 0.00 H new ATOM 0 HB2 PRO A 51 9.674 -12.310 -28.888 1.00 0.00 H new ATOM 0 HB3 PRO A 51 8.674 -10.871 -28.946 1.00 0.00 H new ATOM 0 HG2 PRO A 51 10.363 -11.265 -30.916 1.00 0.00 H new ATOM 0 HG3 PRO A 51 10.273 -9.657 -30.224 1.00 0.00 H new ATOM 0 HD2 PRO A 51 12.389 -11.774 -29.818 1.00 0.00 H new ATOM 0 HD3 PRO A 51 12.585 -10.038 -29.956 1.00 0.00 H new ATOM 717 N SER A 52 9.353 -11.047 -25.503 1.00 0.00 N ATOM 718 CA SER A 52 9.008 -11.793 -24.295 1.00 0.00 C ATOM 719 C SER A 52 7.495 -11.808 -24.081 1.00 0.00 C ATOM 720 O SER A 52 6.794 -10.894 -24.512 1.00 0.00 O ATOM 721 CB SER A 52 9.701 -11.175 -23.079 1.00 0.00 C ATOM 722 OG SER A 52 10.969 -10.646 -23.429 1.00 0.00 O ATOM 0 H SER A 52 8.941 -10.115 -25.555 1.00 0.00 H new ATOM 0 HA SER A 52 9.350 -12.821 -24.418 1.00 0.00 H new ATOM 0 HB2 SER A 52 9.076 -10.385 -22.663 1.00 0.00 H new ATOM 0 HB3 SER A 52 9.820 -11.930 -22.302 1.00 0.00 H new ATOM 0 HG SER A 52 11.613 -10.842 -22.717 1.00 0.00 H new ATOM 728 N PRO A 53 6.966 -12.853 -23.419 1.00 0.00 N ATOM 729 CA PRO A 53 5.536 -12.978 -23.161 1.00 0.00 C ATOM 730 C PRO A 53 5.132 -12.327 -21.846 1.00 0.00 C ATOM 731 O PRO A 53 5.983 -11.897 -21.068 1.00 0.00 O ATOM 732 CB PRO A 53 5.351 -14.488 -23.087 1.00 0.00 C ATOM 733 CG PRO A 53 6.626 -14.993 -22.493 1.00 0.00 C ATOM 734 CD PRO A 53 7.711 -14.006 -22.874 1.00 0.00 C ATOM 0 HA PRO A 53 4.925 -12.486 -23.918 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.493 -14.753 -22.469 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.177 -14.915 -24.074 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.541 -15.074 -21.409 1.00 0.00 H new ATOM 0 HG3 PRO A 53 6.860 -15.989 -22.870 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.313 -13.721 -22.011 1.00 0.00 H new ATOM 0 HD3 PRO A 53 8.393 -14.427 -23.613 1.00 0.00 H new ATOM 742 N CYS A 54 3.828 -12.254 -21.604 1.00 0.00 N ATOM 743 CA CYS A 54 3.312 -11.658 -20.391 1.00 0.00 C ATOM 744 C CYS A 54 2.447 -12.648 -19.619 1.00 0.00 C ATOM 745 O CYS A 54 1.840 -13.546 -20.204 1.00 0.00 O ATOM 746 CB CYS A 54 2.512 -10.396 -20.713 1.00 0.00 C ATOM 747 SG CYS A 54 2.218 -9.317 -19.275 1.00 0.00 S ATOM 0 H CYS A 54 3.111 -12.604 -22.239 1.00 0.00 H new ATOM 0 HA CYS A 54 4.161 -11.386 -19.764 1.00 0.00 H new ATOM 0 HB2 CYS A 54 3.041 -9.828 -21.478 1.00 0.00 H new ATOM 0 HB3 CYS A 54 1.551 -10.686 -21.139 1.00 0.00 H new ATOM 752 N GLN A 55 2.414 -12.490 -18.300 1.00 0.00 N ATOM 753 CA GLN A 55 1.638 -13.373 -17.438 1.00 0.00 C ATOM 754 C GLN A 55 0.166 -13.406 -17.852 1.00 0.00 C ATOM 755 O GLN A 55 -0.272 -14.349 -18.511 1.00 0.00 O ATOM 756 CB GLN A 55 1.766 -12.934 -15.977 1.00 0.00 C ATOM 757 CG GLN A 55 1.075 -13.871 -14.998 1.00 0.00 C ATOM 758 CD GLN A 55 0.221 -13.143 -13.982 1.00 0.00 C ATOM 759 OE1 GLN A 55 -0.841 -12.502 -14.448 1.00 0.00 O flip ATOM 760 NE2 GLN A 55 0.506 -13.171 -12.786 1.00 0.00 N flip ATOM 0 H GLN A 55 2.918 -11.755 -17.803 1.00 0.00 H new ATOM 0 HA GLN A 55 2.039 -14.381 -17.545 1.00 0.00 H new ATOM 0 HB2 GLN A 55 2.823 -12.866 -15.718 1.00 0.00 H new ATOM 0 HB3 GLN A 55 1.346 -11.934 -15.868 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.451 -14.571 -15.553 1.00 0.00 H new ATOM 0 HG3 GLN A 55 1.828 -14.460 -14.475 1.00 0.00 H new ATOM 0 HE21 GLN A 55 1.334 -13.677 -12.471 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -0.085 -12.688 -12.109 1.00 0.00 H new ATOM 769 N SER A 56 -0.597 -12.384 -17.475 1.00 0.00 N ATOM 770 CA SER A 56 -2.010 -12.331 -17.822 1.00 0.00 C ATOM 771 C SER A 56 -2.642 -10.995 -17.436 1.00 0.00 C ATOM 772 O SER A 56 -2.015 -10.161 -16.782 1.00 0.00 O ATOM 773 CB SER A 56 -2.765 -13.481 -17.154 1.00 0.00 C ATOM 774 OG SER A 56 -3.978 -13.758 -17.833 1.00 0.00 O ATOM 0 H SER A 56 -0.262 -11.588 -16.933 1.00 0.00 H new ATOM 0 HA SER A 56 -2.084 -12.432 -18.905 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.139 -14.373 -17.143 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.976 -13.227 -16.115 1.00 0.00 H new ATOM 0 HG SER A 56 -4.441 -14.498 -17.387 1.00 0.00 H new ATOM 780 N GLY A 57 -3.896 -10.806 -17.848 1.00 0.00 N ATOM 781 CA GLY A 57 -4.608 -9.574 -17.547 1.00 0.00 C ATOM 782 C GLY A 57 -4.889 -9.405 -16.070 1.00 0.00 C ATOM 783 O GLY A 57 -4.913 -10.381 -15.320 1.00 0.00 O ATOM 0 H GLY A 57 -4.432 -11.487 -18.386 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.022 -8.726 -17.900 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.550 -9.561 -18.095 1.00 0.00 H new ATOM 787 N GLN A 58 -5.072 -8.160 -15.647 1.00 0.00 N ATOM 788 CA GLN A 58 -5.319 -7.857 -14.252 1.00 0.00 C ATOM 789 C GLN A 58 -6.716 -7.275 -14.011 1.00 0.00 C ATOM 790 O GLN A 58 -7.214 -6.483 -14.802 1.00 0.00 O ATOM 791 CB GLN A 58 -4.277 -6.866 -13.778 1.00 0.00 C ATOM 792 CG GLN A 58 -3.092 -7.507 -13.079 1.00 0.00 C ATOM 793 CD GLN A 58 -2.774 -6.852 -11.749 1.00 0.00 C ATOM 794 OE1 GLN A 58 -3.371 -7.180 -10.724 1.00 0.00 O ATOM 795 NE2 GLN A 58 -1.831 -5.917 -11.763 1.00 0.00 N ATOM 0 H GLN A 58 -5.053 -7.343 -16.258 1.00 0.00 H new ATOM 0 HA GLN A 58 -5.259 -8.792 -13.694 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -3.916 -6.296 -14.634 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.748 -6.156 -13.097 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -3.299 -8.565 -12.918 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -2.217 -7.448 -13.727 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.363 -5.678 -12.637 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.575 -5.438 -10.900 1.00 0.00 H new ATOM 804 N LYS A 59 -7.357 -7.784 -12.954 1.00 0.00 N ATOM 805 CA LYS A 59 -8.754 -7.472 -12.598 1.00 0.00 C ATOM 806 C LYS A 59 -9.298 -6.240 -13.350 1.00 0.00 C ATOM 807 O LYS A 59 -9.216 -5.094 -12.904 1.00 0.00 O ATOM 808 CB LYS A 59 -8.798 -7.244 -11.074 1.00 0.00 C ATOM 809 CG LYS A 59 -10.025 -6.508 -10.547 1.00 0.00 C ATOM 810 CD LYS A 59 -9.739 -5.829 -9.211 1.00 0.00 C ATOM 811 CE LYS A 59 -10.743 -6.243 -8.145 1.00 0.00 C ATOM 812 NZ LYS A 59 -10.431 -5.638 -6.821 1.00 0.00 N ATOM 0 H LYS A 59 -6.915 -8.437 -12.307 1.00 0.00 H new ATOM 0 HA LYS A 59 -9.394 -8.304 -12.892 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.739 -8.213 -10.579 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.909 -6.683 -10.784 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -10.343 -5.762 -11.275 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -10.850 -7.211 -10.430 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -8.732 -6.084 -8.881 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -9.769 -4.747 -9.339 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -11.744 -5.943 -8.454 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -10.749 -7.329 -8.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -11.139 -5.945 -6.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.486 -5.944 -6.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -10.450 -4.601 -6.900 1.00 0.00 H new ATOM 826 N PRO A 60 -9.805 -6.525 -14.583 1.00 0.00 N ATOM 827 CA PRO A 60 -10.332 -5.536 -15.528 1.00 0.00 C ATOM 828 C PRO A 60 -11.419 -4.587 -15.016 1.00 0.00 C ATOM 829 O PRO A 60 -12.044 -4.802 -13.980 1.00 0.00 O ATOM 830 CB PRO A 60 -10.949 -6.376 -16.649 1.00 0.00 C ATOM 831 CG PRO A 60 -10.261 -7.680 -16.601 1.00 0.00 C ATOM 832 CD PRO A 60 -9.797 -7.877 -15.183 1.00 0.00 C ATOM 0 HA PRO A 60 -9.508 -4.876 -15.798 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -12.023 -6.495 -16.503 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -10.811 -5.897 -17.618 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -10.934 -8.483 -16.902 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.416 -7.697 -17.290 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -10.460 -8.552 -14.642 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -8.800 -8.316 -15.152 1.00 0.00 H new ATOM 840 N CYS A 61 -11.636 -3.547 -15.829 1.00 0.00 N ATOM 841 CA CYS A 61 -12.652 -2.542 -15.559 1.00 0.00 C ATOM 842 C CYS A 61 -13.052 -1.752 -16.791 1.00 0.00 C ATOM 843 O CYS A 61 -12.366 -1.740 -17.816 1.00 0.00 O ATOM 844 CB CYS A 61 -12.238 -1.573 -14.463 1.00 0.00 C ATOM 845 SG CYS A 61 -10.512 -1.028 -14.568 1.00 0.00 S ATOM 0 H CYS A 61 -11.110 -3.385 -16.688 1.00 0.00 H new ATOM 0 HA CYS A 61 -13.517 -3.113 -15.221 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -12.887 -0.698 -14.503 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -12.400 -2.046 -13.495 1.00 0.00 H new ATOM 850 N GLY A 62 -14.201 -1.115 -16.669 1.00 0.00 N ATOM 851 CA GLY A 62 -14.790 -0.343 -17.728 1.00 0.00 C ATOM 852 C GLY A 62 -14.366 1.110 -17.768 1.00 0.00 C ATOM 853 O GLY A 62 -15.067 1.947 -18.335 1.00 0.00 O ATOM 0 H GLY A 62 -14.755 -1.124 -15.813 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -14.536 -0.807 -18.681 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -15.875 -0.388 -17.631 1.00 0.00 H new ATOM 857 N SER A 63 -13.190 1.396 -17.241 1.00 0.00 N ATOM 858 CA SER A 63 -12.652 2.724 -17.301 1.00 0.00 C ATOM 859 C SER A 63 -11.509 2.753 -18.328 1.00 0.00 C ATOM 860 O SER A 63 -10.509 3.453 -18.155 1.00 0.00 O ATOM 861 CB SER A 63 -12.185 3.189 -15.928 1.00 0.00 C ATOM 862 OG SER A 63 -12.059 4.598 -15.879 1.00 0.00 O ATOM 0 H SER A 63 -12.594 0.717 -16.767 1.00 0.00 H new ATOM 0 HA SER A 63 -13.430 3.418 -17.618 1.00 0.00 H new ATOM 0 HB2 SER A 63 -12.894 2.858 -15.169 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.226 2.727 -15.692 1.00 0.00 H new ATOM 0 HG SER A 63 -11.475 4.848 -15.133 1.00 0.00 H new ATOM 868 N GLY A 64 -11.695 1.983 -19.403 1.00 0.00 N ATOM 869 CA GLY A 64 -10.724 1.912 -20.475 1.00 0.00 C ATOM 870 C GLY A 64 -9.753 0.737 -20.384 1.00 0.00 C ATOM 871 O GLY A 64 -8.798 0.665 -21.159 1.00 0.00 O ATOM 0 H GLY A 64 -12.519 1.399 -19.546 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -11.256 1.853 -21.425 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -10.150 2.839 -20.488 1.00 0.00 H new ATOM 875 N GLY A 65 -9.968 -0.153 -19.423 1.00 0.00 N ATOM 876 CA GLY A 65 -9.076 -1.274 -19.234 1.00 0.00 C ATOM 877 C GLY A 65 -9.094 -1.877 -17.863 1.00 0.00 C ATOM 878 O GLY A 65 -10.142 -2.015 -17.241 1.00 0.00 O ATOM 0 H GLY A 65 -10.750 -0.115 -18.769 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.332 -2.048 -19.958 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.059 -0.951 -19.459 1.00 0.00 H new ATOM 882 N ARG A 66 -7.941 -2.352 -17.446 1.00 0.00 N ATOM 883 CA ARG A 66 -7.845 -3.066 -16.200 1.00 0.00 C ATOM 884 C ARG A 66 -7.473 -2.148 -15.072 1.00 0.00 C ATOM 885 O ARG A 66 -7.315 -0.950 -15.274 1.00 0.00 O ATOM 886 CB ARG A 66 -6.808 -4.192 -16.304 1.00 0.00 C ATOM 887 CG ARG A 66 -6.793 -4.914 -17.645 1.00 0.00 C ATOM 888 CD ARG A 66 -8.161 -5.466 -17.995 1.00 0.00 C ATOM 889 NE ARG A 66 -8.101 -6.438 -19.086 1.00 0.00 N ATOM 890 CZ ARG A 66 -7.867 -7.739 -18.916 1.00 0.00 C ATOM 891 NH1 ARG A 66 -7.670 -8.236 -17.699 1.00 0.00 N ATOM 892 NH2 ARG A 66 -7.831 -8.547 -19.966 1.00 0.00 N ATOM 0 H ARG A 66 -7.061 -2.255 -17.953 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.826 -3.494 -15.992 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -5.818 -3.775 -16.119 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.000 -4.920 -15.516 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.466 -4.227 -18.426 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -6.069 -5.728 -17.613 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -8.597 -5.937 -17.114 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.821 -4.646 -18.277 1.00 0.00 H new ATOM 0 HE ARG A 66 -8.247 -6.099 -20.037 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.697 -7.620 -16.886 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -7.492 -9.233 -17.578 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.982 -8.173 -20.903 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -7.652 -9.543 -19.837 1.00 0.00 H new ATOM 906 N CYS A 67 -7.267 -2.711 -13.892 1.00 0.00 N ATOM 907 CA CYS A 67 -6.851 -1.917 -12.765 1.00 0.00 C ATOM 908 C CYS A 67 -5.364 -1.617 -12.872 1.00 0.00 C ATOM 909 O CYS A 67 -4.594 -1.872 -11.947 1.00 0.00 O ATOM 910 CB CYS A 67 -7.184 -2.610 -11.450 1.00 0.00 C ATOM 911 SG CYS A 67 -6.819 -1.608 -9.984 1.00 0.00 S ATOM 0 H CYS A 67 -7.382 -3.706 -13.698 1.00 0.00 H new ATOM 0 HA CYS A 67 -7.399 -0.975 -12.777 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -8.242 -2.872 -11.446 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -6.624 -3.543 -11.390 1.00 0.00 H new ATOM 916 N ALA A 68 -4.979 -1.106 -14.041 1.00 0.00 N ATOM 917 CA ALA A 68 -3.589 -0.779 -14.376 1.00 0.00 C ATOM 918 C ALA A 68 -2.669 -0.578 -13.174 1.00 0.00 C ATOM 919 O ALA A 68 -1.720 -1.345 -12.996 1.00 0.00 O ATOM 920 CB ALA A 68 -3.550 0.438 -15.261 1.00 0.00 C ATOM 0 H ALA A 68 -5.634 -0.903 -14.796 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.200 -1.653 -14.897 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.515 0.676 -15.507 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.104 0.239 -16.178 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.003 1.282 -14.740 1.00 0.00 H new ATOM 926 N ALA A 69 -2.899 0.466 -12.371 1.00 0.00 N ATOM 927 CA ALA A 69 -2.048 0.773 -11.218 1.00 0.00 C ATOM 928 C ALA A 69 -2.804 1.654 -10.213 1.00 0.00 C ATOM 929 O ALA A 69 -3.611 2.494 -10.604 1.00 0.00 O ATOM 930 CB ALA A 69 -0.816 1.535 -11.653 1.00 0.00 C ATOM 0 H ALA A 69 -3.674 1.117 -12.501 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.766 -0.175 -10.760 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.197 1.753 -10.783 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.247 0.933 -12.361 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.115 2.469 -12.129 1.00 0.00 H new ATOM 936 N ALA A 70 -2.561 1.399 -8.921 1.00 0.00 N ATOM 937 CA ALA A 70 -3.244 2.110 -7.806 1.00 0.00 C ATOM 938 C ALA A 70 -4.462 2.845 -8.291 1.00 0.00 C ATOM 939 O ALA A 70 -4.454 4.072 -8.393 1.00 0.00 O ATOM 940 CB ALA A 70 -2.373 3.130 -7.114 1.00 0.00 C ATOM 0 H ALA A 70 -1.889 0.698 -8.608 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.503 1.320 -7.101 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.938 3.607 -6.313 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.497 2.636 -6.695 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.055 3.885 -7.833 1.00 0.00 H new ATOM 946 N GLY A 71 -5.466 2.103 -8.658 1.00 0.00 N ATOM 947 CA GLY A 71 -6.638 2.714 -9.192 1.00 0.00 C ATOM 948 C GLY A 71 -6.291 3.488 -10.438 1.00 0.00 C ATOM 949 O GLY A 71 -6.170 4.708 -10.437 1.00 0.00 O ATOM 0 H GLY A 71 -5.494 1.085 -8.597 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.383 1.952 -9.422 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.081 3.380 -8.451 1.00 0.00 H new ATOM 953 N ILE A 72 -6.173 2.740 -11.504 1.00 0.00 N ATOM 954 CA ILE A 72 -5.879 3.241 -12.819 1.00 0.00 C ATOM 955 C ILE A 72 -6.404 2.233 -13.783 1.00 0.00 C ATOM 956 O ILE A 72 -5.809 1.183 -13.990 1.00 0.00 O ATOM 957 CB ILE A 72 -4.369 3.482 -13.056 1.00 0.00 C ATOM 958 CG1 ILE A 72 -3.987 4.822 -12.498 1.00 0.00 C ATOM 959 CG2 ILE A 72 -3.957 3.394 -14.527 1.00 0.00 C ATOM 960 CD1 ILE A 72 -4.011 5.943 -13.515 1.00 0.00 C ATOM 0 H ILE A 72 -6.284 1.726 -11.478 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.349 4.216 -12.948 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.837 2.682 -12.542 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -4.666 5.071 -11.682 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.986 4.754 -12.071 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.886 3.574 -14.616 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.192 2.402 -14.912 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.500 4.144 -15.102 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.723 6.877 -13.033 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.311 5.719 -14.320 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.016 6.041 -13.925 1.00 0.00 H new ATOM 972 N CYS A 73 -7.542 2.526 -14.338 1.00 0.00 N ATOM 973 CA CYS A 73 -8.136 1.631 -15.255 1.00 0.00 C ATOM 974 C CYS A 73 -7.510 1.971 -16.589 1.00 0.00 C ATOM 975 O CYS A 73 -7.808 3.002 -17.196 1.00 0.00 O ATOM 976 CB CYS A 73 -9.641 1.763 -15.177 1.00 0.00 C ATOM 977 SG CYS A 73 -10.554 0.427 -15.980 1.00 0.00 S ATOM 0 H CYS A 73 -8.070 3.382 -14.165 1.00 0.00 H new ATOM 0 HA CYS A 73 -7.957 0.575 -15.053 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -9.935 1.808 -14.128 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -9.934 2.710 -15.631 1.00 0.00 H new ATOM 982 N CYS A 74 -6.509 1.168 -16.949 1.00 0.00 N ATOM 983 CA CYS A 74 -5.706 1.462 -18.113 1.00 0.00 C ATOM 984 C CYS A 74 -5.390 0.272 -18.993 1.00 0.00 C ATOM 985 O CYS A 74 -5.198 -0.859 -18.535 1.00 0.00 O ATOM 986 CB CYS A 74 -4.375 2.058 -17.637 1.00 0.00 C ATOM 987 SG CYS A 74 -3.011 2.061 -18.871 1.00 0.00 S ATOM 0 H CYS A 74 -6.244 0.319 -16.450 1.00 0.00 H new ATOM 0 HA CYS A 74 -6.298 2.146 -18.721 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -4.552 3.085 -17.317 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -4.044 1.503 -16.759 1.00 0.00 H new ATOM 992 N SER A 75 -5.296 0.594 -20.266 1.00 0.00 N ATOM 993 CA SER A 75 -4.933 -0.372 -21.276 1.00 0.00 C ATOM 994 C SER A 75 -3.770 0.211 -22.094 1.00 0.00 C ATOM 995 O SER A 75 -2.911 0.872 -21.511 1.00 0.00 O ATOM 996 CB SER A 75 -6.171 -0.651 -22.136 1.00 0.00 C ATOM 997 OG SER A 75 -7.214 -1.209 -21.359 1.00 0.00 O ATOM 0 H SER A 75 -5.469 1.532 -20.627 1.00 0.00 H new ATOM 0 HA SER A 75 -4.603 -1.318 -20.846 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.513 0.275 -22.599 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.910 -1.334 -22.945 1.00 0.00 H new ATOM 0 HG SER A 75 -8.068 -0.804 -21.618 1.00 0.00 H new ATOM 1003 N PRO A 76 -3.723 0.093 -23.444 1.00 0.00 N ATOM 1004 CA PRO A 76 -2.670 0.720 -24.217 1.00 0.00 C ATOM 1005 C PRO A 76 -3.136 2.098 -24.644 1.00 0.00 C ATOM 1006 O PRO A 76 -2.345 3.011 -24.886 1.00 0.00 O ATOM 1007 CB PRO A 76 -2.514 -0.210 -25.424 1.00 0.00 C ATOM 1008 CG PRO A 76 -3.745 -1.063 -25.465 1.00 0.00 C ATOM 1009 CD PRO A 76 -4.649 -0.605 -24.349 1.00 0.00 C ATOM 0 HA PRO A 76 -1.732 0.852 -23.678 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -2.409 0.364 -26.345 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -1.619 -0.825 -25.327 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -4.246 -0.968 -26.428 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -3.487 -2.115 -25.343 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -5.436 0.057 -24.712 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.140 -1.444 -23.856 1.00 0.00 H new ATOM 1017 N ASP A 77 -4.456 2.198 -24.773 1.00 0.00 N ATOM 1018 CA ASP A 77 -5.179 3.411 -25.219 1.00 0.00 C ATOM 1019 C ASP A 77 -4.888 4.543 -24.293 1.00 0.00 C ATOM 1020 O ASP A 77 -4.386 5.586 -24.709 1.00 0.00 O ATOM 1021 CB ASP A 77 -6.687 3.146 -25.271 1.00 0.00 C ATOM 1022 CG ASP A 77 -7.305 3.583 -26.585 1.00 0.00 C ATOM 1023 OD1 ASP A 77 -7.257 4.793 -26.889 1.00 0.00 O ATOM 1024 OD2 ASP A 77 -7.835 2.715 -27.309 1.00 0.00 O ATOM 0 H ASP A 77 -5.082 1.420 -24.567 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.840 3.674 -26.221 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.872 2.082 -25.122 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -7.174 3.672 -24.450 1.00 0.00 H new ATOM 1029 N GLY A 78 -5.088 4.295 -22.993 1.00 0.00 N ATOM 1030 CA GLY A 78 -4.712 5.271 -21.993 1.00 0.00 C ATOM 1031 C GLY A 78 -4.936 4.785 -20.586 1.00 0.00 C ATOM 1032 O GLY A 78 -5.804 3.943 -20.352 1.00 0.00 O ATOM 0 H GLY A 78 -5.502 3.439 -22.624 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -3.660 5.527 -22.120 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -5.284 6.185 -22.152 1.00 0.00 H new ATOM 1036 N CYS A 79 -4.213 5.347 -19.634 1.00 0.00 N ATOM 1037 CA CYS A 79 -4.422 4.992 -18.249 1.00 0.00 C ATOM 1038 C CYS A 79 -5.064 6.116 -17.536 1.00 0.00 C ATOM 1039 O CYS A 79 -4.768 7.285 -17.778 1.00 0.00 O ATOM 1040 CB CYS A 79 -3.155 4.685 -17.483 1.00 0.00 C ATOM 1041 SG CYS A 79 -1.940 3.726 -18.417 1.00 0.00 S ATOM 0 H CYS A 79 -3.485 6.043 -19.795 1.00 0.00 H new ATOM 0 HA CYS A 79 -5.036 4.092 -18.283 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -2.697 5.623 -17.169 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.415 4.138 -16.577 1.00 0.00 H new ATOM 1046 N GLU A 80 -5.946 5.762 -16.659 1.00 0.00 N ATOM 1047 CA GLU A 80 -6.651 6.747 -15.895 1.00 0.00 C ATOM 1048 C GLU A 80 -7.003 6.219 -14.521 1.00 0.00 C ATOM 1049 O GLU A 80 -7.485 5.096 -14.381 1.00 0.00 O ATOM 1050 CB GLU A 80 -7.917 7.174 -16.633 1.00 0.00 C ATOM 1051 CG GLU A 80 -8.895 6.035 -16.879 1.00 0.00 C ATOM 1052 CD GLU A 80 -10.337 6.496 -16.877 1.00 0.00 C ATOM 1053 OE1 GLU A 80 -10.762 7.111 -15.873 1.00 0.00 O ATOM 1054 OE2 GLU A 80 -11.044 6.243 -17.873 1.00 0.00 O ATOM 0 H GLU A 80 -6.198 4.796 -16.451 1.00 0.00 H new ATOM 0 HA GLU A 80 -6.000 7.612 -15.770 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -8.417 7.953 -16.057 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -7.638 7.615 -17.590 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -8.668 5.567 -17.837 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.760 5.273 -16.112 1.00 0.00 H new ATOM 1061 N GLU A 81 -6.764 7.038 -13.504 1.00 0.00 N ATOM 1062 CA GLU A 81 -7.051 6.665 -12.140 1.00 0.00 C ATOM 1063 C GLU A 81 -8.469 6.167 -12.058 1.00 0.00 C ATOM 1064 O GLU A 81 -9.415 6.929 -12.248 1.00 0.00 O ATOM 1065 CB GLU A 81 -6.841 7.861 -11.210 1.00 0.00 C ATOM 1066 CG GLU A 81 -7.279 9.178 -11.801 1.00 0.00 C ATOM 1067 CD GLU A 81 -6.209 10.249 -11.707 1.00 0.00 C ATOM 1068 OE1 GLU A 81 -5.449 10.244 -10.715 1.00 0.00 O ATOM 1069 OE2 GLU A 81 -6.130 11.092 -12.625 1.00 0.00 O ATOM 0 H GLU A 81 -6.368 7.972 -13.609 1.00 0.00 H new ATOM 0 HA GLU A 81 -6.374 5.872 -11.824 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -7.389 7.689 -10.284 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -5.785 7.924 -10.948 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -7.548 9.030 -12.847 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -8.177 9.521 -11.287 1.00 0.00 H new ATOM 1076 N ASP A 82 -8.617 4.880 -11.777 1.00 0.00 N ATOM 1077 CA ASP A 82 -9.924 4.301 -11.690 1.00 0.00 C ATOM 1078 C ASP A 82 -10.395 4.197 -10.244 1.00 0.00 C ATOM 1079 O ASP A 82 -10.033 3.277 -9.518 1.00 0.00 O ATOM 1080 CB ASP A 82 -10.009 2.947 -12.422 1.00 0.00 C ATOM 1081 CG ASP A 82 -9.006 1.910 -11.967 1.00 0.00 C ATOM 1082 OD1 ASP A 82 -8.483 2.060 -10.867 1.00 0.00 O ATOM 1083 OD2 ASP A 82 -8.774 0.930 -12.712 1.00 0.00 O ATOM 0 H ASP A 82 -7.847 4.232 -11.609 1.00 0.00 H new ATOM 0 HA ASP A 82 -10.607 4.977 -12.205 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -11.012 2.542 -12.290 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.872 3.119 -13.490 1.00 0.00 H new ATOM 1088 N PRO A 83 -11.237 5.158 -9.826 1.00 0.00 N ATOM 1089 CA PRO A 83 -11.827 5.204 -8.493 1.00 0.00 C ATOM 1090 C PRO A 83 -12.546 3.902 -8.212 1.00 0.00 C ATOM 1091 O PRO A 83 -12.846 3.543 -7.075 1.00 0.00 O ATOM 1092 CB PRO A 83 -12.813 6.378 -8.599 1.00 0.00 C ATOM 1093 CG PRO A 83 -12.213 7.232 -9.638 1.00 0.00 C ATOM 1094 CD PRO A 83 -11.686 6.269 -10.647 1.00 0.00 C ATOM 0 HA PRO A 83 -11.106 5.333 -7.686 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -13.810 6.041 -8.882 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -12.912 6.907 -7.651 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -12.951 7.903 -10.076 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -11.418 7.856 -9.230 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -12.456 5.963 -11.355 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -10.870 6.698 -11.228 1.00 0.00 H new ATOM 1102 N ALA A 84 -12.733 3.178 -9.293 1.00 0.00 N ATOM 1103 CA ALA A 84 -13.307 1.875 -9.300 1.00 0.00 C ATOM 1104 C ALA A 84 -12.341 0.924 -8.626 1.00 0.00 C ATOM 1105 O ALA A 84 -12.699 -0.166 -8.174 1.00 0.00 O ATOM 1106 CB ALA A 84 -13.492 1.489 -10.748 1.00 0.00 C ATOM 0 H ALA A 84 -12.474 3.506 -10.224 1.00 0.00 H new ATOM 0 HA ALA A 84 -14.260 1.843 -8.772 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -13.931 0.493 -10.806 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -14.153 2.206 -11.234 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -12.525 1.489 -11.251 1.00 0.00 H new ATOM 1112 N CYS A 85 -11.097 1.378 -8.576 1.00 0.00 N ATOM 1113 CA CYS A 85 -10.038 0.619 -7.982 1.00 0.00 C ATOM 1114 C CYS A 85 -9.415 1.202 -6.698 1.00 0.00 C ATOM 1115 O CYS A 85 -9.017 0.396 -5.859 1.00 0.00 O ATOM 1116 CB CYS A 85 -8.947 0.290 -8.985 1.00 0.00 C ATOM 1117 SG CYS A 85 -8.625 -1.494 -9.092 1.00 0.00 S ATOM 0 H CYS A 85 -10.807 2.282 -8.949 1.00 0.00 H new ATOM 0 HA CYS A 85 -10.543 -0.292 -7.662 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -9.235 0.665 -9.967 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -8.029 0.806 -8.703 1.00 0.00 H new ATOM 1122 N ASP A 86 -9.272 2.550 -6.501 1.00 0.00 N ATOM 1123 CA ASP A 86 -8.603 2.993 -5.232 1.00 0.00 C ATOM 1124 C ASP A 86 -8.079 4.445 -5.046 1.00 0.00 C ATOM 1125 O ASP A 86 -7.791 4.818 -3.909 1.00 0.00 O ATOM 1126 CB ASP A 86 -7.308 2.216 -5.116 1.00 0.00 C ATOM 1127 CG ASP A 86 -6.796 2.122 -3.691 1.00 0.00 C ATOM 1128 OD1 ASP A 86 -7.572 1.705 -2.806 1.00 0.00 O ATOM 1129 OD2 ASP A 86 -5.616 2.464 -3.459 1.00 0.00 O ATOM 0 H ASP A 86 -9.577 3.288 -7.136 1.00 0.00 H new ATOM 0 HA ASP A 86 -9.419 2.855 -4.523 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -7.458 1.210 -5.509 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -6.549 2.691 -5.738 1.00 0.00 H new ATOM 1134 N PRO A 87 -7.785 5.234 -6.087 1.00 0.00 N ATOM 1135 CA PRO A 87 -7.134 6.528 -5.917 1.00 0.00 C ATOM 1136 C PRO A 87 -8.067 7.674 -5.962 1.00 0.00 C ATOM 1137 O PRO A 87 -8.323 8.347 -4.963 1.00 0.00 O ATOM 1138 CB PRO A 87 -6.205 6.585 -7.133 1.00 0.00 C ATOM 1139 CG PRO A 87 -6.573 5.409 -7.964 1.00 0.00 C ATOM 1140 CD PRO A 87 -7.914 4.952 -7.491 1.00 0.00 C ATOM 0 HA PRO A 87 -6.648 6.605 -4.945 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -6.338 7.515 -7.686 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -5.159 6.541 -6.831 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -6.606 5.676 -9.020 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -5.834 4.615 -7.859 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -8.731 5.504 -7.955 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -8.090 3.895 -7.691 1.00 0.00 H new ATOM 1148 N GLU A 88 -8.606 7.863 -7.137 1.00 0.00 N ATOM 1149 CA GLU A 88 -9.578 8.914 -7.343 1.00 0.00 C ATOM 1150 C GLU A 88 -10.893 8.380 -6.817 1.00 0.00 C ATOM 1151 O GLU A 88 -11.979 8.929 -7.015 1.00 0.00 O ATOM 1152 CB GLU A 88 -9.692 9.189 -8.839 1.00 0.00 C ATOM 1153 CG GLU A 88 -10.315 10.530 -9.172 1.00 0.00 C ATOM 1154 CD GLU A 88 -9.772 11.121 -10.457 1.00 0.00 C ATOM 1155 OE1 GLU A 88 -10.218 10.694 -11.541 1.00 0.00 O ATOM 1156 OE2 GLU A 88 -8.896 12.007 -10.376 1.00 0.00 O ATOM 0 H GLU A 88 -8.393 7.308 -7.966 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.299 9.839 -6.838 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -8.698 9.141 -9.284 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -10.286 8.399 -9.299 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -11.395 10.413 -9.258 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -10.134 11.225 -8.352 1.00 0.00 H new ATOM 1163 N ALA A 89 -10.717 7.180 -6.272 1.00 0.00 N ATOM 1164 CA ALA A 89 -11.740 6.285 -5.796 1.00 0.00 C ATOM 1165 C ALA A 89 -12.659 6.720 -4.687 1.00 0.00 C ATOM 1166 O ALA A 89 -12.476 7.694 -3.957 1.00 0.00 O ATOM 1167 CB ALA A 89 -11.077 4.976 -5.401 1.00 0.00 C ATOM 0 H ALA A 89 -9.783 6.789 -6.147 1.00 0.00 H new ATOM 0 HA ALA A 89 -12.422 6.222 -6.644 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -11.833 4.281 -5.037 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -10.576 4.546 -6.268 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -10.345 5.161 -4.614 1.00 0.00 H new ATOM 1173 N ALA A 90 -13.621 5.836 -4.618 1.00 0.00 N ATOM 1174 CA ALA A 90 -14.700 5.766 -3.690 1.00 0.00 C ATOM 1175 C ALA A 90 -14.291 4.776 -2.634 1.00 0.00 C ATOM 1176 O ALA A 90 -13.098 4.525 -2.463 1.00 0.00 O ATOM 1177 CB ALA A 90 -15.885 5.221 -4.452 1.00 0.00 C ATOM 0 H ALA A 90 -13.663 5.068 -5.288 1.00 0.00 H new ATOM 0 HA ALA A 90 -14.943 6.729 -3.240 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -16.744 5.147 -3.785 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -16.125 5.890 -5.279 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -15.643 4.233 -4.843 1.00 0.00 H new ATOM 1183 N PHE A 91 -15.247 4.141 -1.976 1.00 0.00 N ATOM 1184 CA PHE A 91 -14.900 3.106 -1.016 1.00 0.00 C ATOM 1185 C PHE A 91 -14.486 1.875 -1.827 1.00 0.00 C ATOM 1186 O PHE A 91 -14.948 0.758 -1.589 1.00 0.00 O ATOM 1187 CB PHE A 91 -16.092 2.783 -0.110 1.00 0.00 C ATOM 1188 CG PHE A 91 -15.700 2.255 1.243 1.00 0.00 C ATOM 1189 CD1 PHE A 91 -14.680 2.849 1.969 1.00 0.00 C ATOM 1190 CD2 PHE A 91 -16.351 1.159 1.785 1.00 0.00 C ATOM 1191 CE1 PHE A 91 -14.318 2.361 3.209 1.00 0.00 C ATOM 1192 CE2 PHE A 91 -15.993 0.666 3.025 1.00 0.00 C ATOM 1193 CZ PHE A 91 -14.974 1.268 3.737 1.00 0.00 C ATOM 0 H PHE A 91 -16.246 4.317 -2.084 1.00 0.00 H new ATOM 0 HA PHE A 91 -14.089 3.435 -0.366 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -16.691 3.684 0.021 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -16.726 2.048 -0.607 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -14.162 3.704 1.560 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -17.148 0.684 1.232 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -13.522 2.834 3.765 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -16.509 -0.189 3.437 1.00 0.00 H new ATOM 0 HZ PHE A 91 -14.691 0.884 4.706 1.00 0.00 H new ATOM 1203 N SER A 92 -13.588 2.124 -2.797 1.00 0.00 N ATOM 1204 CA SER A 92 -13.057 1.106 -3.689 1.00 0.00 C ATOM 1205 C SER A 92 -11.719 0.583 -3.169 1.00 0.00 C ATOM 1206 O SER A 92 -10.857 1.417 -2.809 1.00 0.00 O ATOM 1207 CB SER A 92 -12.891 1.682 -5.115 1.00 0.00 C ATOM 1208 OG SER A 92 -12.004 0.888 -5.881 1.00 0.00 O ATOM 1209 OXT SER A 92 -11.543 -0.651 -3.121 1.00 0.00 O ATOM 0 H SER A 92 -13.212 3.055 -2.977 1.00 0.00 H new ATOM 0 HA SER A 92 -13.761 0.274 -3.725 1.00 0.00 H new ATOM 0 HB2 SER A 92 -13.862 1.728 -5.608 1.00 0.00 H new ATOM 0 HB3 SER A 92 -12.514 2.703 -5.057 1.00 0.00 H new ATOM 0 HG SER A 92 -12.356 -0.024 -5.948 1.00 0.00 H new