USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 612 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 17 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Set 1.2: A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0.0016 USER MOD Single : A 25 SER OG : rot -170:sc= -0.936 USER MOD Single : A 27 THR OG1 : rot 180:sc= -1.06 USER MOD Single : A 28 ASN :FLIP amide:sc= 0.357! C(o=-2.1!,f=0.36!) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot 180:sc=-0.00306 USER MOD Single : A 41 GLN : amide:sc= -0.113 K(o=-0.11,f=-1.9!) USER MOD Single : A 45 GLN : amide:sc= -0.0274 K(o=-0.027,f=-0.73) USER MOD Single : A 46 THR OG1 : rot 164:sc= 0.4 USER MOD Single : A 49 ASN : amide:sc= -0.0133 K(o=-0.013,f=-0.62) USER MOD Single : A 50 THR OG1 : rot 97:sc= 1.09 USER MOD Single : A 51 TYR OH : rot 180:sc= -0.235 USER MOD Single : A 53 ASN : amide:sc= -0.0264 K(o=-0.026,f=-0.78) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 11:sc= 0.0281 USER MOD Single : A 59 MET CE :methyl -129:sc= 0 (180deg=-0.0617) USER MOD Single : A 66 THR OG1 : rot -48:sc= 1.12 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 151 N ILE A 13 -11.765 -8.535 11.569 1.00 0.00 N ATOM 152 CA ILE A 13 -11.443 -7.210 11.054 1.00 0.00 C ATOM 153 C ILE A 13 -10.030 -6.795 11.450 1.00 0.00 C ATOM 154 O ILE A 13 -9.456 -7.334 12.395 1.00 0.00 O ATOM 155 CB ILE A 13 -12.439 -6.151 11.563 1.00 0.00 C ATOM 156 CG1 ILE A 13 -13.875 -6.656 11.412 1.00 0.00 C ATOM 157 CG2 ILE A 13 -12.250 -4.842 10.811 1.00 0.00 C ATOM 158 CD1 ILE A 13 -14.899 -5.780 12.101 1.00 0.00 C ATOM 0 HA ILE A 13 -11.511 -7.268 9.968 1.00 0.00 H new ATOM 0 HB ILE A 13 -12.247 -5.971 12.621 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -14.119 -6.721 10.352 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -13.941 -7.666 11.817 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -12.961 -4.104 11.182 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -11.234 -4.477 10.965 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -12.419 -5.006 9.747 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -15.895 -6.198 11.952 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -14.680 -5.735 13.168 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -14.861 -4.775 11.680 1.00 0.00 H new ATOM 170 N ALA A 14 -9.476 -5.832 10.720 1.00 0.00 N ATOM 171 CA ALA A 14 -8.132 -5.341 10.997 1.00 0.00 C ATOM 172 C ALA A 14 -8.101 -3.817 11.038 1.00 0.00 C ATOM 173 O ALA A 14 -8.858 -3.153 10.330 1.00 0.00 O ATOM 174 CB ALA A 14 -7.154 -5.863 9.954 1.00 0.00 C ATOM 0 H ALA A 14 -9.937 -5.377 9.932 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.832 -5.710 11.978 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -6.154 -5.488 10.173 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -7.146 -6.953 9.976 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -7.460 -5.522 8.965 1.00 0.00 H new ATOM 180 N ARG A 15 -7.223 -3.270 11.872 1.00 0.00 N ATOM 181 CA ARG A 15 -7.096 -1.824 12.006 1.00 0.00 C ATOM 182 C ARG A 15 -5.821 -1.325 11.332 1.00 0.00 C ATOM 183 O ARG A 15 -4.732 -1.414 11.899 1.00 0.00 O ATOM 184 CB ARG A 15 -7.094 -1.425 13.483 1.00 0.00 C ATOM 185 CG ARG A 15 -7.734 -0.073 13.750 1.00 0.00 C ATOM 186 CD ARG A 15 -7.864 0.197 15.241 1.00 0.00 C ATOM 187 NE ARG A 15 -8.261 1.576 15.515 1.00 0.00 N ATOM 188 CZ ARG A 15 -8.739 1.984 16.685 1.00 0.00 C ATOM 189 NH1 ARG A 15 -8.879 1.125 17.684 1.00 0.00 N ATOM 190 NH2 ARG A 15 -9.078 3.256 16.857 1.00 0.00 N ATOM 0 H ARG A 15 -6.589 -3.806 12.465 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.952 -1.363 11.513 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -7.622 -2.187 14.057 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -6.066 -1.408 13.845 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -7.135 0.712 13.288 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -8.719 -0.038 13.285 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -8.599 -0.484 15.670 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -6.913 -0.011 15.731 1.00 0.00 H new ATOM 0 HE ARG A 15 -8.166 2.263 14.767 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -8.619 0.147 17.556 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -9.246 1.442 18.581 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -8.971 3.920 16.090 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -9.445 3.569 17.756 1.00 0.00 H new ATOM 204 N ILE A 16 -5.965 -0.801 10.119 1.00 0.00 N ATOM 205 CA ILE A 16 -4.825 -0.288 9.369 1.00 0.00 C ATOM 206 C ILE A 16 -4.869 1.233 9.275 1.00 0.00 C ATOM 207 O ILE A 16 -5.735 1.799 8.608 1.00 0.00 O ATOM 208 CB ILE A 16 -4.776 -0.878 7.947 1.00 0.00 C ATOM 209 CG1 ILE A 16 -5.183 -2.353 7.969 1.00 0.00 C ATOM 210 CG2 ILE A 16 -3.384 -0.715 7.355 1.00 0.00 C ATOM 211 CD1 ILE A 16 -4.243 -3.227 8.769 1.00 0.00 C ATOM 0 H ILE A 16 -6.859 -0.721 9.635 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.929 -0.590 9.910 1.00 0.00 H new ATOM 0 HB ILE A 16 -5.483 -0.336 7.319 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -6.187 -2.438 8.384 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.229 -2.724 6.945 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -3.364 -1.136 6.350 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.130 0.344 7.309 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.659 -1.236 7.981 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.593 -4.259 8.741 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.242 -3.172 8.341 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.216 -2.881 9.802 1.00 0.00 H new ATOM 223 N GLN A 17 -3.928 1.889 9.947 1.00 0.00 N ATOM 224 CA GLN A 17 -3.858 3.346 9.938 1.00 0.00 C ATOM 225 C GLN A 17 -2.923 3.839 8.839 1.00 0.00 C ATOM 226 O GLN A 17 -1.775 3.405 8.745 1.00 0.00 O ATOM 227 CB GLN A 17 -3.385 3.863 11.297 1.00 0.00 C ATOM 228 CG GLN A 17 -3.331 5.380 11.386 1.00 0.00 C ATOM 229 CD GLN A 17 -3.178 5.876 12.810 1.00 0.00 C ATOM 230 OE1 GLN A 17 -2.527 5.236 13.636 1.00 0.00 O ATOM 231 NE2 GLN A 17 -3.779 7.023 13.105 1.00 0.00 N ATOM 0 H GLN A 17 -3.204 1.435 10.504 1.00 0.00 H new ATOM 0 HA GLN A 17 -4.858 3.732 9.739 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.052 3.485 12.072 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -2.394 3.460 11.505 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -2.497 5.746 10.786 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -4.241 5.798 10.956 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -4.308 7.520 12.389 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -3.711 7.407 14.048 1.00 0.00 H new ATOM 240 N PHE A 18 -3.421 4.749 8.009 1.00 0.00 N ATOM 241 CA PHE A 18 -2.630 5.301 6.915 1.00 0.00 C ATOM 242 C PHE A 18 -2.186 6.727 7.230 1.00 0.00 C ATOM 243 O PHE A 18 -3.008 7.640 7.313 1.00 0.00 O ATOM 244 CB PHE A 18 -3.436 5.282 5.614 1.00 0.00 C ATOM 245 CG PHE A 18 -3.571 3.912 5.013 1.00 0.00 C ATOM 246 CD1 PHE A 18 -2.594 3.413 4.167 1.00 0.00 C ATOM 247 CD2 PHE A 18 -4.675 3.123 5.294 1.00 0.00 C ATOM 248 CE1 PHE A 18 -2.716 2.154 3.612 1.00 0.00 C ATOM 249 CE2 PHE A 18 -4.802 1.862 4.742 1.00 0.00 C ATOM 250 CZ PHE A 18 -3.821 1.377 3.901 1.00 0.00 C ATOM 0 H PHE A 18 -4.369 5.120 8.073 1.00 0.00 H new ATOM 0 HA PHE A 18 -1.742 4.681 6.794 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.430 5.686 5.806 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -2.958 5.942 4.890 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -1.727 4.015 3.939 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -5.445 3.498 5.952 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.948 1.777 2.953 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -5.668 1.257 4.969 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.917 0.392 3.470 1.00 0.00 H new ATOM 260 N ARG A 19 -0.882 6.908 7.405 1.00 0.00 N ATOM 261 CA ARG A 19 -0.328 8.221 7.713 1.00 0.00 C ATOM 262 C ARG A 19 0.127 8.932 6.441 1.00 0.00 C ATOM 263 O ARG A 19 0.722 8.319 5.554 1.00 0.00 O ATOM 264 CB ARG A 19 0.848 8.088 8.683 1.00 0.00 C ATOM 265 CG ARG A 19 0.469 7.468 10.017 1.00 0.00 C ATOM 266 CD ARG A 19 1.349 7.987 11.143 1.00 0.00 C ATOM 267 NE ARG A 19 0.956 9.327 11.571 1.00 0.00 N ATOM 268 CZ ARG A 19 -0.097 9.573 12.342 1.00 0.00 C ATOM 269 NH1 ARG A 19 -0.859 8.575 12.768 1.00 0.00 N ATOM 270 NH2 ARG A 19 -0.390 10.820 12.689 1.00 0.00 N ATOM 0 H ARG A 19 -0.189 6.162 7.339 1.00 0.00 H new ATOM 0 HA ARG A 19 -1.112 8.816 8.182 1.00 0.00 H new ATOM 0 HB2 ARG A 19 1.625 7.482 8.218 1.00 0.00 H new ATOM 0 HB3 ARG A 19 1.276 9.075 8.859 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -0.575 7.689 10.239 1.00 0.00 H new ATOM 0 HG3 ARG A 19 0.559 6.384 9.954 1.00 0.00 H new ATOM 0 HD2 ARG A 19 1.293 7.304 11.991 1.00 0.00 H new ATOM 0 HD3 ARG A 19 2.388 8.002 10.814 1.00 0.00 H new ATOM 0 HE ARG A 19 1.521 10.117 11.261 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -0.637 7.615 12.504 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -1.667 8.767 13.360 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.194 11.591 12.363 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.199 11.008 13.281 1.00 0.00 H new ATOM 284 N LEU A 20 -0.159 10.226 6.359 1.00 0.00 N ATOM 285 CA LEU A 20 0.220 11.021 5.195 1.00 0.00 C ATOM 286 C LEU A 20 1.320 12.016 5.550 1.00 0.00 C ATOM 287 O LEU A 20 1.469 12.430 6.700 1.00 0.00 O ATOM 288 CB LEU A 20 -0.998 11.764 4.643 1.00 0.00 C ATOM 289 CG LEU A 20 -2.068 10.899 3.977 1.00 0.00 C ATOM 290 CD1 LEU A 20 -3.296 11.731 3.644 1.00 0.00 C ATOM 291 CD2 LEU A 20 -1.514 10.237 2.723 1.00 0.00 C ATOM 0 H LEU A 20 -0.652 10.748 7.084 1.00 0.00 H new ATOM 0 HA LEU A 20 0.602 10.344 4.431 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.463 12.316 5.460 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.651 12.500 3.918 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.363 10.117 4.677 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.047 11.098 3.171 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.706 12.157 4.560 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.017 12.535 2.963 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.289 9.625 2.262 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.191 11.004 2.019 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.665 9.607 2.989 1.00 0.00 H new ATOM 303 N PRO A 21 2.108 12.412 4.539 1.00 0.00 N ATOM 304 CA PRO A 21 3.207 13.366 4.720 1.00 0.00 C ATOM 305 C PRO A 21 2.708 14.776 5.012 1.00 0.00 C ATOM 306 O PRO A 21 3.445 15.609 5.541 1.00 0.00 O ATOM 307 CB PRO A 21 3.936 13.325 3.374 1.00 0.00 C ATOM 308 CG PRO A 21 2.901 12.891 2.395 1.00 0.00 C ATOM 309 CD PRO A 21 1.988 11.959 3.143 1.00 0.00 C ATOM 0 HA PRO A 21 3.837 13.106 5.570 1.00 0.00 H new ATOM 0 HB2 PRO A 21 4.342 14.303 3.114 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.774 12.628 3.399 1.00 0.00 H new ATOM 0 HG2 PRO A 21 2.350 13.747 2.004 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.357 12.389 1.542 1.00 0.00 H new ATOM 0 HD2 PRO A 21 0.961 12.029 2.785 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.295 10.919 3.030 1.00 0.00 H new ATOM 317 N ASP A 22 1.452 15.038 4.666 1.00 0.00 N ATOM 318 CA ASP A 22 0.854 16.349 4.894 1.00 0.00 C ATOM 319 C ASP A 22 0.589 16.574 6.379 1.00 0.00 C ATOM 320 O ASP A 22 0.956 17.609 6.935 1.00 0.00 O ATOM 321 CB ASP A 22 -0.449 16.482 4.104 1.00 0.00 C ATOM 322 CG ASP A 22 -0.879 17.926 3.936 1.00 0.00 C ATOM 323 OD1 ASP A 22 -0.585 18.742 4.835 1.00 0.00 O ATOM 324 OD2 ASP A 22 -1.508 18.241 2.904 1.00 0.00 O ATOM 0 H ASP A 22 0.829 14.361 4.227 1.00 0.00 H new ATOM 0 HA ASP A 22 1.557 17.108 4.550 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.323 16.027 3.122 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.238 15.928 4.613 1.00 0.00 H new ATOM 329 N GLY A 23 -0.053 15.599 7.016 1.00 0.00 N ATOM 330 CA GLY A 23 -0.357 15.711 8.430 1.00 0.00 C ATOM 331 C GLY A 23 -1.551 14.869 8.835 1.00 0.00 C ATOM 332 O GLY A 23 -1.531 14.211 9.875 1.00 0.00 O ATOM 0 H GLY A 23 -0.368 14.734 6.577 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.513 15.405 9.011 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.553 16.755 8.675 1.00 0.00 H new ATOM 336 N SER A 24 -2.594 14.890 8.012 1.00 0.00 N ATOM 337 CA SER A 24 -3.805 14.126 8.292 1.00 0.00 C ATOM 338 C SER A 24 -3.585 12.641 8.022 1.00 0.00 C ATOM 339 O SER A 24 -2.634 12.257 7.341 1.00 0.00 O ATOM 340 CB SER A 24 -4.968 14.644 7.444 1.00 0.00 C ATOM 341 OG SER A 24 -4.620 14.681 6.071 1.00 0.00 O ATOM 0 H SER A 24 -2.625 15.428 7.146 1.00 0.00 H new ATOM 0 HA SER A 24 -4.049 14.253 9.347 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.839 14.003 7.585 1.00 0.00 H new ATOM 0 HB3 SER A 24 -5.250 15.643 7.778 1.00 0.00 H new ATOM 0 HG SER A 24 -5.380 15.014 5.550 1.00 0.00 H new ATOM 347 N SER A 25 -4.471 11.810 8.562 1.00 0.00 N ATOM 348 CA SER A 25 -4.373 10.366 8.383 1.00 0.00 C ATOM 349 C SER A 25 -5.757 9.724 8.378 1.00 0.00 C ATOM 350 O SER A 25 -6.700 10.250 8.969 1.00 0.00 O ATOM 351 CB SER A 25 -3.517 9.751 9.492 1.00 0.00 C ATOM 352 OG SER A 25 -2.204 10.285 9.478 1.00 0.00 O ATOM 0 H SER A 25 -5.265 12.112 9.127 1.00 0.00 H new ATOM 0 HA SER A 25 -3.900 10.175 7.420 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.980 9.941 10.460 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.474 8.669 9.365 1.00 0.00 H new ATOM 0 HG SER A 25 -1.634 9.769 10.086 1.00 0.00 H new ATOM 358 N PHE A 26 -5.870 8.583 7.706 1.00 0.00 N ATOM 359 CA PHE A 26 -7.138 7.868 7.622 1.00 0.00 C ATOM 360 C PHE A 26 -6.940 6.377 7.874 1.00 0.00 C ATOM 361 O PHE A 26 -6.007 5.765 7.351 1.00 0.00 O ATOM 362 CB PHE A 26 -7.780 8.085 6.250 1.00 0.00 C ATOM 363 CG PHE A 26 -6.847 7.820 5.103 1.00 0.00 C ATOM 364 CD1 PHE A 26 -6.751 6.555 4.548 1.00 0.00 C ATOM 365 CD2 PHE A 26 -6.064 8.838 4.581 1.00 0.00 C ATOM 366 CE1 PHE A 26 -5.894 6.308 3.493 1.00 0.00 C ATOM 367 CE2 PHE A 26 -5.205 8.597 3.526 1.00 0.00 C ATOM 368 CZ PHE A 26 -5.119 7.331 2.981 1.00 0.00 C ATOM 0 H PHE A 26 -5.099 8.134 7.212 1.00 0.00 H new ATOM 0 HA PHE A 26 -7.801 8.263 8.392 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.650 7.435 6.158 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.141 9.111 6.185 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -7.354 5.751 4.945 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.126 9.830 5.003 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.830 5.317 3.069 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.601 9.399 3.128 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.448 7.141 2.157 1.00 0.00 H new ATOM 378 N THR A 27 -7.823 5.795 8.680 1.00 0.00 N ATOM 379 CA THR A 27 -7.745 4.376 9.003 1.00 0.00 C ATOM 380 C THR A 27 -8.987 3.634 8.524 1.00 0.00 C ATOM 381 O THR A 27 -10.081 3.830 9.053 1.00 0.00 O ATOM 382 CB THR A 27 -7.580 4.154 10.518 1.00 0.00 C ATOM 383 OG1 THR A 27 -6.416 4.842 10.990 1.00 0.00 O ATOM 384 CG2 THR A 27 -7.462 2.671 10.838 1.00 0.00 C ATOM 0 H THR A 27 -8.601 6.285 9.121 1.00 0.00 H new ATOM 0 HA THR A 27 -6.869 3.982 8.488 1.00 0.00 H new ATOM 0 HB THR A 27 -8.464 4.549 11.019 1.00 0.00 H new ATOM 0 HG1 THR A 27 -6.319 4.697 11.954 1.00 0.00 H new ATOM 0 HG21 THR A 27 -7.346 2.539 11.914 1.00 0.00 H new ATOM 0 HG22 THR A 27 -8.361 2.154 10.504 1.00 0.00 H new ATOM 0 HG23 THR A 27 -6.594 2.256 10.326 1.00 0.00 H new ATOM 392 N ASN A 28 -8.811 2.781 7.521 1.00 0.00 N ATOM 393 CA ASN A 28 -9.919 2.008 6.971 1.00 0.00 C ATOM 394 C ASN A 28 -10.101 0.700 7.734 1.00 0.00 C ATOM 395 O ASN A 28 -9.415 0.446 8.723 1.00 0.00 O ATOM 396 CB ASN A 28 -9.680 1.718 5.488 1.00 0.00 C ATOM 397 CG ASN A 28 -10.968 1.439 4.738 1.00 0.00 C ATOM 398 OD1 ASN A 28 -11.918 2.362 4.831 1.00 0.00 O flip ATOM 399 ND2 ASN A 28 -11.106 0.406 4.083 1.00 0.00 N flip ATOM 0 H ASN A 28 -7.912 2.607 7.072 1.00 0.00 H new ATOM 0 HA ASN A 28 -10.829 2.599 7.076 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -9.174 2.569 5.031 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -9.014 0.861 5.391 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -10.348 -0.276 4.040 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -11.978 0.232 3.583 1.00 0.00 H new ATOM 406 N GLN A 29 -11.031 -0.127 7.265 1.00 0.00 N ATOM 407 CA GLN A 29 -11.303 -1.410 7.904 1.00 0.00 C ATOM 408 C GLN A 29 -11.198 -2.551 6.898 1.00 0.00 C ATOM 409 O GLN A 29 -11.878 -2.553 5.872 1.00 0.00 O ATOM 410 CB GLN A 29 -12.694 -1.401 8.540 1.00 0.00 C ATOM 411 CG GLN A 29 -12.711 -0.849 9.957 1.00 0.00 C ATOM 412 CD GLN A 29 -14.095 -0.412 10.396 1.00 0.00 C ATOM 413 OE1 GLN A 29 -14.400 0.780 10.429 1.00 0.00 O ATOM 414 NE2 GLN A 29 -14.942 -1.377 10.735 1.00 0.00 N ATOM 0 H GLN A 29 -11.608 0.068 6.447 1.00 0.00 H new ATOM 0 HA GLN A 29 -10.556 -1.566 8.682 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -13.365 -0.807 7.919 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.086 -2.418 8.550 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -12.339 -1.610 10.644 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -12.029 -0.001 10.021 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -14.647 -2.353 10.693 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -15.888 -1.143 11.038 1.00 0.00 H new ATOM 423 N PHE A 30 -10.341 -3.521 7.199 1.00 0.00 N ATOM 424 CA PHE A 30 -10.146 -4.669 6.320 1.00 0.00 C ATOM 425 C PHE A 30 -10.151 -5.970 7.116 1.00 0.00 C ATOM 426 O PHE A 30 -9.775 -6.013 8.288 1.00 0.00 O ATOM 427 CB PHE A 30 -8.829 -4.532 5.553 1.00 0.00 C ATOM 428 CG PHE A 30 -8.662 -3.199 4.881 1.00 0.00 C ATOM 429 CD1 PHE A 30 -9.310 -2.924 3.688 1.00 0.00 C ATOM 430 CD2 PHE A 30 -7.857 -2.222 5.443 1.00 0.00 C ATOM 431 CE1 PHE A 30 -9.159 -1.699 3.067 1.00 0.00 C ATOM 432 CE2 PHE A 30 -7.703 -0.994 4.827 1.00 0.00 C ATOM 433 CZ PHE A 30 -8.353 -0.733 3.637 1.00 0.00 C ATOM 0 H PHE A 30 -9.771 -3.535 8.044 1.00 0.00 H new ATOM 0 HA PHE A 30 -10.972 -4.696 5.609 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.999 -4.689 6.242 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -8.772 -5.319 4.801 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -9.941 -3.676 3.238 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -7.344 -2.422 6.372 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.670 -1.497 2.137 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -7.075 -0.239 5.276 1.00 0.00 H new ATOM 0 HZ PHE A 30 -8.231 0.225 3.153 1.00 0.00 H new ATOM 443 N PRO A 31 -10.588 -7.059 6.466 1.00 0.00 N ATOM 444 CA PRO A 31 -10.654 -8.383 7.093 1.00 0.00 C ATOM 445 C PRO A 31 -9.271 -8.971 7.350 1.00 0.00 C ATOM 446 O PRO A 31 -8.399 -8.936 6.482 1.00 0.00 O ATOM 447 CB PRO A 31 -11.411 -9.226 6.064 1.00 0.00 C ATOM 448 CG PRO A 31 -11.157 -8.550 4.761 1.00 0.00 C ATOM 449 CD PRO A 31 -11.052 -7.082 5.069 1.00 0.00 C ATOM 0 HA PRO A 31 -11.134 -8.348 8.071 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -11.051 -10.255 6.053 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -12.477 -9.263 6.290 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -10.240 -8.919 4.302 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -11.966 -8.744 4.057 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.349 -6.581 4.404 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -12.012 -6.578 4.956 1.00 0.00 H new ATOM 457 N SER A 32 -9.076 -9.512 8.549 1.00 0.00 N ATOM 458 CA SER A 32 -7.797 -10.106 8.921 1.00 0.00 C ATOM 459 C SER A 32 -7.155 -10.805 7.727 1.00 0.00 C ATOM 460 O SER A 32 -5.935 -10.783 7.564 1.00 0.00 O ATOM 461 CB SER A 32 -7.988 -11.101 10.067 1.00 0.00 C ATOM 462 OG SER A 32 -8.565 -12.309 9.603 1.00 0.00 O ATOM 0 H SER A 32 -9.787 -9.551 9.279 1.00 0.00 H new ATOM 0 HA SER A 32 -7.134 -9.306 9.250 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.026 -11.310 10.535 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.626 -10.660 10.833 1.00 0.00 H new ATOM 0 HG SER A 32 -8.675 -12.929 10.354 1.00 0.00 H new ATOM 468 N ASP A 33 -7.985 -11.424 6.895 1.00 0.00 N ATOM 469 CA ASP A 33 -7.499 -12.130 5.715 1.00 0.00 C ATOM 470 C ASP A 33 -6.913 -11.152 4.701 1.00 0.00 C ATOM 471 O ASP A 33 -5.833 -11.380 4.157 1.00 0.00 O ATOM 472 CB ASP A 33 -8.632 -12.932 5.072 1.00 0.00 C ATOM 473 CG ASP A 33 -9.354 -12.152 3.992 1.00 0.00 C ATOM 474 OD1 ASP A 33 -10.154 -11.258 4.340 1.00 0.00 O ATOM 475 OD2 ASP A 33 -9.121 -12.435 2.798 1.00 0.00 O ATOM 0 H ASP A 33 -8.997 -11.451 7.016 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.712 -12.815 6.030 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.227 -13.849 4.644 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.346 -13.228 5.841 1.00 0.00 H new ATOM 480 N ALA A 34 -7.634 -10.064 4.450 1.00 0.00 N ATOM 481 CA ALA A 34 -7.185 -9.052 3.503 1.00 0.00 C ATOM 482 C ALA A 34 -5.692 -8.782 3.654 1.00 0.00 C ATOM 483 O ALA A 34 -5.234 -8.232 4.656 1.00 0.00 O ATOM 484 CB ALA A 34 -7.977 -7.766 3.689 1.00 0.00 C ATOM 0 H ALA A 34 -8.532 -9.861 4.890 1.00 0.00 H new ATOM 0 HA ALA A 34 -7.359 -9.431 2.496 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -7.631 -7.019 2.975 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -9.036 -7.964 3.523 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -7.832 -7.393 4.703 1.00 0.00 H new ATOM 490 N PRO A 35 -4.912 -9.178 2.637 1.00 0.00 N ATOM 491 CA PRO A 35 -3.458 -8.989 2.634 1.00 0.00 C ATOM 492 C PRO A 35 -3.065 -7.522 2.494 1.00 0.00 C ATOM 493 O PRO A 35 -3.794 -6.727 1.900 1.00 0.00 O ATOM 494 CB PRO A 35 -2.999 -9.785 1.410 1.00 0.00 C ATOM 495 CG PRO A 35 -4.186 -9.813 0.510 1.00 0.00 C ATOM 496 CD PRO A 35 -5.389 -9.840 1.412 1.00 0.00 C ATOM 0 HA PRO A 35 -3.002 -9.318 3.568 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -2.146 -9.310 0.926 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -2.688 -10.792 1.687 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -4.204 -8.937 -0.139 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -4.164 -10.689 -0.138 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -6.233 -9.310 0.972 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -5.721 -10.859 1.609 1.00 0.00 H new ATOM 504 N LEU A 36 -1.908 -7.170 3.043 1.00 0.00 N ATOM 505 CA LEU A 36 -1.416 -5.798 2.979 1.00 0.00 C ATOM 506 C LEU A 36 -1.813 -5.139 1.661 1.00 0.00 C ATOM 507 O LEU A 36 -2.174 -3.963 1.629 1.00 0.00 O ATOM 508 CB LEU A 36 0.105 -5.772 3.138 1.00 0.00 C ATOM 509 CG LEU A 36 0.693 -4.504 3.757 1.00 0.00 C ATOM 510 CD1 LEU A 36 2.181 -4.404 3.456 1.00 0.00 C ATOM 511 CD2 LEU A 36 -0.040 -3.272 3.246 1.00 0.00 C ATOM 0 H LEU A 36 -1.293 -7.816 3.538 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.869 -5.237 3.796 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.401 -6.623 3.752 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.556 -5.916 2.156 1.00 0.00 H new ATOM 0 HG LEU A 36 0.564 -4.557 4.838 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.583 -3.495 3.904 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.695 -5.271 3.871 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.333 -4.374 2.377 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.392 -2.379 3.697 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.057 -3.214 2.162 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.095 -3.339 3.513 1.00 0.00 H new ATOM 523 N GLU A 37 -1.743 -5.906 0.578 1.00 0.00 N ATOM 524 CA GLU A 37 -2.096 -5.396 -0.742 1.00 0.00 C ATOM 525 C GLU A 37 -3.426 -4.648 -0.699 1.00 0.00 C ATOM 526 O GLU A 37 -3.507 -3.483 -1.084 1.00 0.00 O ATOM 527 CB GLU A 37 -2.176 -6.543 -1.752 1.00 0.00 C ATOM 528 CG GLU A 37 -2.590 -6.099 -3.145 1.00 0.00 C ATOM 529 CD GLU A 37 -2.141 -7.067 -4.223 1.00 0.00 C ATOM 530 OE1 GLU A 37 -2.096 -8.284 -3.947 1.00 0.00 O ATOM 531 OE2 GLU A 37 -1.835 -6.606 -5.342 1.00 0.00 O ATOM 0 H GLU A 37 -1.446 -6.882 0.588 1.00 0.00 H new ATOM 0 HA GLU A 37 -1.317 -4.700 -1.054 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.204 -7.034 -1.810 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.887 -7.286 -1.390 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.675 -5.997 -3.182 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.170 -5.114 -3.348 1.00 0.00 H new ATOM 538 N GLU A 38 -4.466 -5.329 -0.227 1.00 0.00 N ATOM 539 CA GLU A 38 -5.792 -4.730 -0.135 1.00 0.00 C ATOM 540 C GLU A 38 -5.713 -3.320 0.444 1.00 0.00 C ATOM 541 O GLU A 38 -6.318 -2.387 -0.083 1.00 0.00 O ATOM 542 CB GLU A 38 -6.709 -5.597 0.730 1.00 0.00 C ATOM 543 CG GLU A 38 -7.474 -6.647 -0.057 1.00 0.00 C ATOM 544 CD GLU A 38 -6.657 -7.238 -1.190 1.00 0.00 C ATOM 545 OE1 GLU A 38 -6.522 -6.571 -2.236 1.00 0.00 O ATOM 546 OE2 GLU A 38 -6.152 -8.369 -1.028 1.00 0.00 O ATOM 0 H GLU A 38 -4.416 -6.295 0.097 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.205 -4.669 -1.142 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.111 -6.093 1.495 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.420 -4.954 1.248 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.785 -7.446 0.617 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.382 -6.201 -0.463 1.00 0.00 H new ATOM 553 N ALA A 39 -4.963 -3.174 1.531 1.00 0.00 N ATOM 554 CA ALA A 39 -4.803 -1.880 2.181 1.00 0.00 C ATOM 555 C ALA A 39 -4.187 -0.860 1.229 1.00 0.00 C ATOM 556 O ALA A 39 -4.511 0.326 1.280 1.00 0.00 O ATOM 557 CB ALA A 39 -3.949 -2.019 3.433 1.00 0.00 C ATOM 0 H ALA A 39 -4.456 -3.937 1.980 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.791 -1.521 2.467 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.838 -1.044 3.908 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.430 -2.708 4.127 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.966 -2.404 3.162 1.00 0.00 H new ATOM 563 N ARG A 40 -3.296 -1.330 0.362 1.00 0.00 N ATOM 564 CA ARG A 40 -2.633 -0.458 -0.600 1.00 0.00 C ATOM 565 C ARG A 40 -3.623 0.053 -1.643 1.00 0.00 C ATOM 566 O ARG A 40 -3.632 1.239 -1.974 1.00 0.00 O ATOM 567 CB ARG A 40 -1.488 -1.202 -1.290 1.00 0.00 C ATOM 568 CG ARG A 40 -0.436 -0.282 -1.887 1.00 0.00 C ATOM 569 CD ARG A 40 0.773 -1.063 -2.379 1.00 0.00 C ATOM 570 NE ARG A 40 1.927 -0.198 -2.607 1.00 0.00 N ATOM 571 CZ ARG A 40 2.104 0.515 -3.714 1.00 0.00 C ATOM 572 NH1 ARG A 40 1.207 0.466 -4.689 1.00 0.00 N ATOM 573 NH2 ARG A 40 3.181 1.278 -3.848 1.00 0.00 N ATOM 0 H ARG A 40 -3.017 -2.309 0.306 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.228 0.397 -0.059 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.011 -1.866 -0.569 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.899 -1.831 -2.080 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -0.869 0.279 -2.715 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.121 0.446 -1.139 1.00 0.00 H new ATOM 0 HD2 ARG A 40 1.032 -1.828 -1.647 1.00 0.00 H new ATOM 0 HD3 ARG A 40 0.519 -1.580 -3.304 1.00 0.00 H new ATOM 0 HE ARG A 40 2.636 -0.138 -1.876 1.00 0.00 H new ATOM 0 HH11 ARG A 40 0.378 -0.120 -4.590 1.00 0.00 H new ATOM 0 HH12 ARG A 40 1.346 1.015 -5.538 1.00 0.00 H new ATOM 0 HH21 ARG A 40 3.874 1.318 -3.101 1.00 0.00 H new ATOM 0 HH22 ARG A 40 3.316 1.825 -4.698 1.00 0.00 H new ATOM 587 N GLN A 41 -4.453 -0.849 -2.156 1.00 0.00 N ATOM 588 CA GLN A 41 -5.446 -0.489 -3.161 1.00 0.00 C ATOM 589 C GLN A 41 -6.344 0.637 -2.660 1.00 0.00 C ATOM 590 O GLN A 41 -6.523 1.650 -3.337 1.00 0.00 O ATOM 591 CB GLN A 41 -6.293 -1.707 -3.531 1.00 0.00 C ATOM 592 CG GLN A 41 -5.527 -2.770 -4.302 1.00 0.00 C ATOM 593 CD GLN A 41 -6.435 -3.668 -5.118 1.00 0.00 C ATOM 594 OE1 GLN A 41 -7.555 -3.289 -5.463 1.00 0.00 O ATOM 595 NE2 GLN A 41 -5.957 -4.866 -5.433 1.00 0.00 N ATOM 0 H GLN A 41 -4.458 -1.834 -1.892 1.00 0.00 H new ATOM 0 HA GLN A 41 -4.918 -0.140 -4.048 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.695 -2.150 -2.620 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.144 -1.379 -4.128 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.810 -2.286 -4.965 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -4.954 -3.379 -3.602 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.023 -5.139 -5.126 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.523 -5.513 -5.982 1.00 0.00 H new ATOM 604 N PHE A 42 -6.908 0.453 -1.471 1.00 0.00 N ATOM 605 CA PHE A 42 -7.790 1.453 -0.880 1.00 0.00 C ATOM 606 C PHE A 42 -7.095 2.809 -0.797 1.00 0.00 C ATOM 607 O PHE A 42 -7.533 3.781 -1.412 1.00 0.00 O ATOM 608 CB PHE A 42 -8.235 1.010 0.515 1.00 0.00 C ATOM 609 CG PHE A 42 -8.869 2.108 1.319 1.00 0.00 C ATOM 610 CD1 PHE A 42 -10.191 2.466 1.108 1.00 0.00 C ATOM 611 CD2 PHE A 42 -8.143 2.785 2.286 1.00 0.00 C ATOM 612 CE1 PHE A 42 -10.778 3.476 1.847 1.00 0.00 C ATOM 613 CE2 PHE A 42 -8.724 3.796 3.028 1.00 0.00 C ATOM 614 CZ PHE A 42 -10.042 4.143 2.807 1.00 0.00 C ATOM 0 H PHE A 42 -6.770 -0.379 -0.898 1.00 0.00 H new ATOM 0 HA PHE A 42 -8.667 1.552 -1.520 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -8.943 0.187 0.417 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -7.372 0.625 1.058 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -10.770 1.949 0.357 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -7.111 2.519 2.462 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -11.810 3.743 1.674 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -8.148 4.314 3.780 1.00 0.00 H new ATOM 0 HZ PHE A 42 -10.497 4.935 3.384 1.00 0.00 H new ATOM 624 N ALA A 43 -6.010 2.866 -0.032 1.00 0.00 N ATOM 625 CA ALA A 43 -5.254 4.102 0.131 1.00 0.00 C ATOM 626 C ALA A 43 -5.110 4.836 -1.197 1.00 0.00 C ATOM 627 O ALA A 43 -5.361 6.038 -1.283 1.00 0.00 O ATOM 628 CB ALA A 43 -3.885 3.808 0.725 1.00 0.00 C ATOM 0 H ALA A 43 -5.635 2.071 0.485 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.804 4.748 0.815 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.331 4.740 0.841 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.005 3.333 1.699 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.336 3.140 0.061 1.00 0.00 H new ATOM 634 N ALA A 44 -4.705 4.106 -2.231 1.00 0.00 N ATOM 635 CA ALA A 44 -4.528 4.689 -3.556 1.00 0.00 C ATOM 636 C ALA A 44 -5.783 5.433 -3.999 1.00 0.00 C ATOM 637 O ALA A 44 -5.700 6.481 -4.639 1.00 0.00 O ATOM 638 CB ALA A 44 -4.170 3.607 -4.564 1.00 0.00 C ATOM 0 H ALA A 44 -4.493 3.110 -2.177 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.710 5.408 -3.505 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.041 4.056 -5.549 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.242 3.121 -4.262 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.970 2.868 -4.604 1.00 0.00 H new ATOM 644 N GLN A 45 -6.944 4.885 -3.655 1.00 0.00 N ATOM 645 CA GLN A 45 -8.216 5.497 -4.020 1.00 0.00 C ATOM 646 C GLN A 45 -8.507 6.711 -3.143 1.00 0.00 C ATOM 647 O GLN A 45 -9.013 7.727 -3.618 1.00 0.00 O ATOM 648 CB GLN A 45 -9.351 4.479 -3.895 1.00 0.00 C ATOM 649 CG GLN A 45 -9.597 3.685 -5.168 1.00 0.00 C ATOM 650 CD GLN A 45 -10.939 2.979 -5.164 1.00 0.00 C ATOM 651 OE1 GLN A 45 -11.943 3.532 -4.715 1.00 0.00 O ATOM 652 NE2 GLN A 45 -10.963 1.750 -5.667 1.00 0.00 N ATOM 0 H GLN A 45 -7.030 4.018 -3.124 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.147 5.828 -5.056 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -9.121 3.788 -3.084 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -10.267 5.001 -3.619 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -9.546 4.356 -6.026 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -8.803 2.948 -5.292 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -10.107 1.330 -6.029 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -11.838 1.226 -5.692 1.00 0.00 H new ATOM 661 N THR A 46 -8.184 6.597 -1.858 1.00 0.00 N ATOM 662 CA THR A 46 -8.412 7.684 -0.914 1.00 0.00 C ATOM 663 C THR A 46 -7.638 8.934 -1.316 1.00 0.00 C ATOM 664 O THR A 46 -8.203 10.023 -1.410 1.00 0.00 O ATOM 665 CB THR A 46 -8.005 7.280 0.516 1.00 0.00 C ATOM 666 OG1 THR A 46 -8.747 6.128 0.930 1.00 0.00 O ATOM 667 CG2 THR A 46 -8.247 8.423 1.491 1.00 0.00 C ATOM 0 H THR A 46 -7.764 5.763 -1.448 1.00 0.00 H new ATOM 0 HA THR A 46 -9.480 7.900 -0.933 1.00 0.00 H new ATOM 0 HB THR A 46 -6.941 7.044 0.514 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.318 5.728 1.715 1.00 0.00 H new ATOM 0 HG21 THR A 46 -7.952 8.114 2.494 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.657 9.289 1.190 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.305 8.686 1.488 1.00 0.00 H new ATOM 675 N VAL A 47 -6.340 8.770 -1.555 1.00 0.00 N ATOM 676 CA VAL A 47 -5.489 9.885 -1.950 1.00 0.00 C ATOM 677 C VAL A 47 -5.640 10.193 -3.436 1.00 0.00 C ATOM 678 O VAL A 47 -5.445 11.328 -3.868 1.00 0.00 O ATOM 679 CB VAL A 47 -4.007 9.595 -1.646 1.00 0.00 C ATOM 680 CG1 VAL A 47 -3.805 9.352 -0.158 1.00 0.00 C ATOM 681 CG2 VAL A 47 -3.519 8.406 -2.459 1.00 0.00 C ATOM 0 H VAL A 47 -5.856 7.875 -1.482 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.810 10.749 -1.368 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.418 10.467 -1.931 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.752 9.149 0.038 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.114 10.236 0.400 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.404 8.497 0.156 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.470 8.216 -2.232 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -4.111 7.526 -2.207 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.626 8.623 -3.522 1.00 0.00 H new ATOM 691 N GLY A 48 -5.990 9.173 -4.213 1.00 0.00 N ATOM 692 CA GLY A 48 -6.163 9.355 -5.643 1.00 0.00 C ATOM 693 C GLY A 48 -4.871 9.737 -6.339 1.00 0.00 C ATOM 694 O GLY A 48 -3.801 9.238 -5.992 1.00 0.00 O ATOM 0 H GLY A 48 -6.157 8.224 -3.878 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.549 8.434 -6.079 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -6.910 10.129 -5.820 1.00 0.00 H new ATOM 698 N ASN A 49 -4.971 10.623 -7.324 1.00 0.00 N ATOM 699 CA ASN A 49 -3.802 11.069 -8.072 1.00 0.00 C ATOM 700 C ASN A 49 -3.232 12.353 -7.476 1.00 0.00 C ATOM 701 O ASN A 49 -2.923 13.302 -8.197 1.00 0.00 O ATOM 702 CB ASN A 49 -4.165 11.293 -9.542 1.00 0.00 C ATOM 703 CG ASN A 49 -4.352 9.991 -10.296 1.00 0.00 C ATOM 704 OD1 ASN A 49 -3.585 9.044 -10.121 1.00 0.00 O ATOM 705 ND2 ASN A 49 -5.374 9.939 -11.142 1.00 0.00 N ATOM 0 H ASN A 49 -5.850 11.046 -7.623 1.00 0.00 H new ATOM 0 HA ASN A 49 -3.042 10.290 -8.007 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.082 11.879 -9.602 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -3.381 11.878 -10.022 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.549 9.090 -11.679 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -5.984 10.749 -11.255 1.00 0.00 H new ATOM 712 N THR A 50 -3.095 12.375 -6.154 1.00 0.00 N ATOM 713 CA THR A 50 -2.563 13.541 -5.460 1.00 0.00 C ATOM 714 C THR A 50 -1.054 13.429 -5.275 1.00 0.00 C ATOM 715 O THR A 50 -0.317 14.385 -5.519 1.00 0.00 O ATOM 716 CB THR A 50 -3.226 13.725 -4.082 1.00 0.00 C ATOM 717 OG1 THR A 50 -4.631 13.949 -4.241 1.00 0.00 O ATOM 718 CG2 THR A 50 -2.602 14.893 -3.334 1.00 0.00 C ATOM 0 H THR A 50 -3.345 11.598 -5.542 1.00 0.00 H new ATOM 0 HA THR A 50 -2.787 14.408 -6.081 1.00 0.00 H new ATOM 0 HB THR A 50 -3.067 12.816 -3.502 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.112 13.103 -4.125 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.086 15.004 -2.364 1.00 0.00 H new ATOM 0 HG22 THR A 50 -1.538 14.706 -3.189 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.734 15.808 -3.912 1.00 0.00 H new ATOM 726 N TYR A 51 -0.600 12.258 -4.844 1.00 0.00 N ATOM 727 CA TYR A 51 0.822 12.022 -4.624 1.00 0.00 C ATOM 728 C TYR A 51 1.437 11.270 -5.800 1.00 0.00 C ATOM 729 O TYR A 51 2.556 11.561 -6.221 1.00 0.00 O ATOM 730 CB TYR A 51 1.036 11.234 -3.331 1.00 0.00 C ATOM 731 CG TYR A 51 0.303 11.811 -2.141 1.00 0.00 C ATOM 732 CD1 TYR A 51 -1.074 11.671 -2.014 1.00 0.00 C ATOM 733 CD2 TYR A 51 0.987 12.496 -1.144 1.00 0.00 C ATOM 734 CE1 TYR A 51 -1.748 12.198 -0.929 1.00 0.00 C ATOM 735 CE2 TYR A 51 0.321 13.024 -0.055 1.00 0.00 C ATOM 736 CZ TYR A 51 -1.046 12.873 0.048 1.00 0.00 C ATOM 737 OH TYR A 51 -1.713 13.398 1.131 1.00 0.00 O ATOM 0 H TYR A 51 -1.197 11.456 -4.640 1.00 0.00 H new ATOM 0 HA TYR A 51 1.316 12.990 -4.537 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.710 10.205 -3.484 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.103 11.200 -3.108 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.626 11.141 -2.776 1.00 0.00 H new ATOM 0 HD2 TYR A 51 2.057 12.618 -1.222 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -2.819 12.082 -0.846 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.868 13.552 0.712 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.073 13.841 1.726 1.00 0.00 H new ATOM 747 N GLY A 52 0.696 10.299 -6.326 1.00 0.00 N ATOM 748 CA GLY A 52 1.183 9.519 -7.449 1.00 0.00 C ATOM 749 C GLY A 52 1.634 8.131 -7.038 1.00 0.00 C ATOM 750 O GLY A 52 0.973 7.468 -6.241 1.00 0.00 O ATOM 0 H GLY A 52 -0.233 10.039 -5.994 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.396 9.435 -8.198 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.015 10.044 -7.919 1.00 0.00 H new ATOM 754 N ASN A 53 2.762 7.691 -7.586 1.00 0.00 N ATOM 755 CA ASN A 53 3.299 6.371 -7.273 1.00 0.00 C ATOM 756 C ASN A 53 3.901 6.347 -5.872 1.00 0.00 C ATOM 757 O ASN A 53 5.122 6.355 -5.709 1.00 0.00 O ATOM 758 CB ASN A 53 4.358 5.972 -8.303 1.00 0.00 C ATOM 759 CG ASN A 53 3.752 5.607 -9.644 1.00 0.00 C ATOM 760 OD1 ASN A 53 2.690 4.988 -9.710 1.00 0.00 O ATOM 761 ND2 ASN A 53 4.426 5.991 -10.722 1.00 0.00 N ATOM 0 H ASN A 53 3.322 8.228 -8.248 1.00 0.00 H new ATOM 0 HA ASN A 53 2.479 5.654 -7.308 1.00 0.00 H new ATOM 0 HB2 ASN A 53 5.059 6.796 -8.437 1.00 0.00 H new ATOM 0 HB3 ASN A 53 4.929 5.125 -7.923 1.00 0.00 H new ATOM 0 HD21 ASN A 53 4.067 5.775 -11.652 1.00 0.00 H new ATOM 0 HD22 ASN A 53 5.303 6.502 -10.620 1.00 0.00 H new ATOM 768 N PHE A 54 3.037 6.317 -4.863 1.00 0.00 N ATOM 769 CA PHE A 54 3.483 6.292 -3.475 1.00 0.00 C ATOM 770 C PHE A 54 3.650 4.857 -2.983 1.00 0.00 C ATOM 771 O PHE A 54 3.251 3.908 -3.658 1.00 0.00 O ATOM 772 CB PHE A 54 2.487 7.036 -2.583 1.00 0.00 C ATOM 773 CG PHE A 54 1.164 6.338 -2.450 1.00 0.00 C ATOM 774 CD1 PHE A 54 1.020 5.256 -1.596 1.00 0.00 C ATOM 775 CD2 PHE A 54 0.065 6.763 -3.178 1.00 0.00 C ATOM 776 CE1 PHE A 54 -0.196 4.611 -1.471 1.00 0.00 C ATOM 777 CE2 PHE A 54 -1.154 6.122 -3.056 1.00 0.00 C ATOM 778 CZ PHE A 54 -1.284 5.044 -2.203 1.00 0.00 C ATOM 0 H PHE A 54 2.024 6.309 -4.981 1.00 0.00 H new ATOM 0 HA PHE A 54 4.451 6.791 -3.422 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.923 7.163 -1.592 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.323 8.034 -2.989 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.868 4.913 -1.022 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.161 7.604 -3.848 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.295 3.769 -0.802 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -2.004 6.464 -3.628 1.00 0.00 H new ATOM 0 HZ PHE A 54 -2.235 4.540 -2.108 1.00 0.00 H new ATOM 788 N SER A 55 4.243 4.708 -1.803 1.00 0.00 N ATOM 789 CA SER A 55 4.467 3.389 -1.222 1.00 0.00 C ATOM 790 C SER A 55 4.026 3.357 0.239 1.00 0.00 C ATOM 791 O SER A 55 3.575 4.364 0.785 1.00 0.00 O ATOM 792 CB SER A 55 5.944 3.006 -1.329 1.00 0.00 C ATOM 793 OG SER A 55 6.318 2.786 -2.678 1.00 0.00 O ATOM 0 H SER A 55 4.577 5.484 -1.231 1.00 0.00 H new ATOM 0 HA SER A 55 3.870 2.667 -1.780 1.00 0.00 H new ATOM 0 HB2 SER A 55 6.560 3.798 -0.902 1.00 0.00 H new ATOM 0 HB3 SER A 55 6.133 2.105 -0.745 1.00 0.00 H new ATOM 0 HG SER A 55 7.267 2.544 -2.719 1.00 0.00 H new ATOM 799 N LEU A 56 4.161 2.193 0.865 1.00 0.00 N ATOM 800 CA LEU A 56 3.777 2.028 2.263 1.00 0.00 C ATOM 801 C LEU A 56 4.905 1.389 3.065 1.00 0.00 C ATOM 802 O LEU A 56 5.689 0.602 2.535 1.00 0.00 O ATOM 803 CB LEU A 56 2.513 1.172 2.367 1.00 0.00 C ATOM 804 CG LEU A 56 1.264 1.733 1.686 1.00 0.00 C ATOM 805 CD1 LEU A 56 0.185 0.666 1.589 1.00 0.00 C ATOM 806 CD2 LEU A 56 0.748 2.950 2.438 1.00 0.00 C ATOM 0 H LEU A 56 4.533 1.350 0.427 1.00 0.00 H new ATOM 0 HA LEU A 56 3.575 3.015 2.678 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.726 0.192 1.940 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.289 1.018 3.422 1.00 0.00 H new ATOM 0 HG LEU A 56 1.532 2.042 0.676 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.696 1.083 1.102 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.558 -0.176 1.006 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.081 0.325 2.590 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.141 3.336 1.939 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.496 2.667 3.460 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.518 3.721 2.455 1.00 0.00 H new ATOM 818 N ALA A 57 4.980 1.730 4.347 1.00 0.00 N ATOM 819 CA ALA A 57 6.009 1.187 5.224 1.00 0.00 C ATOM 820 C ALA A 57 5.538 1.161 6.674 1.00 0.00 C ATOM 821 O ALA A 57 4.472 1.685 7.002 1.00 0.00 O ATOM 822 CB ALA A 57 7.291 1.996 5.098 1.00 0.00 C ATOM 0 H ALA A 57 4.339 2.381 4.802 1.00 0.00 H new ATOM 0 HA ALA A 57 6.208 0.161 4.916 1.00 0.00 H new ATOM 0 HB1 ALA A 57 8.051 1.579 5.759 1.00 0.00 H new ATOM 0 HB2 ALA A 57 7.645 1.958 4.068 1.00 0.00 H new ATOM 0 HB3 ALA A 57 7.097 3.032 5.377 1.00 0.00 H new ATOM 828 N THR A 58 6.338 0.549 7.542 1.00 0.00 N ATOM 829 CA THR A 58 6.002 0.454 8.956 1.00 0.00 C ATOM 830 C THR A 58 6.379 1.731 9.698 1.00 0.00 C ATOM 831 O THR A 58 6.816 2.707 9.090 1.00 0.00 O ATOM 832 CB THR A 58 6.710 -0.741 9.623 1.00 0.00 C ATOM 833 OG1 THR A 58 8.114 -0.696 9.346 1.00 0.00 O ATOM 834 CG2 THR A 58 6.132 -2.058 9.126 1.00 0.00 C ATOM 0 H THR A 58 7.224 0.112 7.289 1.00 0.00 H new ATOM 0 HA THR A 58 4.924 0.307 9.015 1.00 0.00 H new ATOM 0 HB THR A 58 6.550 -0.675 10.699 1.00 0.00 H new ATOM 0 HG1 THR A 58 8.341 0.169 8.945 1.00 0.00 H new ATOM 0 HG21 THR A 58 6.647 -2.887 9.611 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.069 -2.102 9.364 1.00 0.00 H new ATOM 0 HG23 THR A 58 6.265 -2.129 8.046 1.00 0.00 H new ATOM 842 N MET A 59 6.207 1.717 11.016 1.00 0.00 N ATOM 843 CA MET A 59 6.531 2.875 11.841 1.00 0.00 C ATOM 844 C MET A 59 7.592 2.523 12.879 1.00 0.00 C ATOM 845 O MET A 59 8.559 3.260 13.067 1.00 0.00 O ATOM 846 CB MET A 59 5.274 3.400 12.537 1.00 0.00 C ATOM 847 CG MET A 59 4.464 4.363 11.684 1.00 0.00 C ATOM 848 SD MET A 59 4.985 6.077 11.886 1.00 0.00 S ATOM 849 CE MET A 59 4.238 6.475 13.464 1.00 0.00 C ATOM 0 H MET A 59 5.845 0.917 11.535 1.00 0.00 H new ATOM 0 HA MET A 59 6.929 3.654 11.190 1.00 0.00 H new ATOM 0 HB2 MET A 59 4.643 2.556 12.815 1.00 0.00 H new ATOM 0 HB3 MET A 59 5.563 3.901 13.461 1.00 0.00 H new ATOM 0 HG2 MET A 59 4.557 4.080 10.635 1.00 0.00 H new ATOM 0 HG3 MET A 59 3.409 4.275 11.945 1.00 0.00 H new ATOM 0 HE1 MET A 59 3.667 7.399 13.374 1.00 0.00 H new ATOM 0 HE2 MET A 59 3.573 5.666 13.766 1.00 0.00 H new ATOM 0 HE3 MET A 59 5.018 6.602 14.214 1.00 0.00 H new ATOM 859 N PHE A 60 7.403 1.392 13.551 1.00 0.00 N ATOM 860 CA PHE A 60 8.343 0.943 14.572 1.00 0.00 C ATOM 861 C PHE A 60 9.618 0.398 13.935 1.00 0.00 C ATOM 862 O PHE A 60 10.697 0.980 14.049 1.00 0.00 O ATOM 863 CB PHE A 60 7.700 -0.131 15.451 1.00 0.00 C ATOM 864 CG PHE A 60 7.113 0.409 16.724 1.00 0.00 C ATOM 865 CD1 PHE A 60 7.926 0.697 17.809 1.00 0.00 C ATOM 866 CD2 PHE A 60 5.750 0.628 16.836 1.00 0.00 C ATOM 867 CE1 PHE A 60 7.389 1.194 18.982 1.00 0.00 C ATOM 868 CE2 PHE A 60 5.208 1.125 18.006 1.00 0.00 C ATOM 869 CZ PHE A 60 6.028 1.407 19.081 1.00 0.00 C ATOM 0 H PHE A 60 6.608 0.770 13.407 1.00 0.00 H new ATOM 0 HA PHE A 60 8.605 1.801 15.192 1.00 0.00 H new ATOM 0 HB2 PHE A 60 6.917 -0.633 14.883 1.00 0.00 H new ATOM 0 HB3 PHE A 60 8.448 -0.885 15.696 1.00 0.00 H new ATOM 0 HD1 PHE A 60 8.991 0.531 17.737 1.00 0.00 H new ATOM 0 HD2 PHE A 60 5.103 0.408 15.999 1.00 0.00 H new ATOM 0 HE1 PHE A 60 8.033 1.415 19.820 1.00 0.00 H new ATOM 0 HE2 PHE A 60 4.144 1.293 18.080 1.00 0.00 H new ATOM 0 HZ PHE A 60 5.606 1.793 19.997 1.00 0.00 H new ATOM 879 N PRO A 61 9.492 -0.746 13.247 1.00 0.00 N ATOM 880 CA PRO A 61 10.624 -1.396 12.577 1.00 0.00 C ATOM 881 C PRO A 61 11.111 -0.607 11.367 1.00 0.00 C ATOM 882 O PRO A 61 12.167 -0.902 10.806 1.00 0.00 O ATOM 883 CB PRO A 61 10.049 -2.746 12.140 1.00 0.00 C ATOM 884 CG PRO A 61 8.583 -2.512 12.017 1.00 0.00 C ATOM 885 CD PRO A 61 8.237 -1.494 13.069 1.00 0.00 C ATOM 0 HA PRO A 61 11.493 -1.479 13.230 1.00 0.00 H new ATOM 0 HB2 PRO A 61 10.479 -3.071 11.193 1.00 0.00 H new ATOM 0 HB3 PRO A 61 10.266 -3.524 12.872 1.00 0.00 H new ATOM 0 HG2 PRO A 61 8.328 -2.147 11.022 1.00 0.00 H new ATOM 0 HG3 PRO A 61 8.026 -3.436 12.170 1.00 0.00 H new ATOM 0 HD2 PRO A 61 7.424 -0.844 12.746 1.00 0.00 H new ATOM 0 HD3 PRO A 61 7.917 -1.968 13.997 1.00 0.00 H new ATOM 893 N ARG A 62 10.337 0.397 10.969 1.00 0.00 N ATOM 894 CA ARG A 62 10.690 1.227 9.824 1.00 0.00 C ATOM 895 C ARG A 62 11.338 0.390 8.725 1.00 0.00 C ATOM 896 O ARG A 62 12.445 0.688 8.275 1.00 0.00 O ATOM 897 CB ARG A 62 11.639 2.347 10.253 1.00 0.00 C ATOM 898 CG ARG A 62 11.782 3.454 9.221 1.00 0.00 C ATOM 899 CD ARG A 62 10.428 4.020 8.821 1.00 0.00 C ATOM 900 NE ARG A 62 10.529 5.398 8.348 1.00 0.00 N ATOM 901 CZ ARG A 62 10.861 5.726 7.105 1.00 0.00 C ATOM 902 NH1 ARG A 62 11.122 4.780 6.213 1.00 0.00 N ATOM 903 NH2 ARG A 62 10.932 7.003 6.750 1.00 0.00 N ATOM 0 H ARG A 62 9.461 0.655 11.423 1.00 0.00 H new ATOM 0 HA ARG A 62 9.774 1.667 9.430 1.00 0.00 H new ATOM 0 HB2 ARG A 62 11.280 2.778 11.188 1.00 0.00 H new ATOM 0 HB3 ARG A 62 12.622 1.921 10.455 1.00 0.00 H new ATOM 0 HG2 ARG A 62 12.406 4.251 9.625 1.00 0.00 H new ATOM 0 HG3 ARG A 62 12.291 3.067 8.338 1.00 0.00 H new ATOM 0 HD2 ARG A 62 9.992 3.399 8.038 1.00 0.00 H new ATOM 0 HD3 ARG A 62 9.751 3.978 9.674 1.00 0.00 H new ATOM 0 HE ARG A 62 10.334 6.150 9.009 1.00 0.00 H new ATOM 0 HH11 ARG A 62 11.068 3.797 6.481 1.00 0.00 H new ATOM 0 HH12 ARG A 62 11.377 5.035 5.259 1.00 0.00 H new ATOM 0 HH21 ARG A 62 10.731 7.734 7.433 1.00 0.00 H new ATOM 0 HH22 ARG A 62 11.187 7.253 5.795 1.00 0.00 H new ATOM 917 N ARG A 63 10.641 -0.657 8.297 1.00 0.00 N ATOM 918 CA ARG A 63 11.149 -1.538 7.252 1.00 0.00 C ATOM 919 C ARG A 63 10.242 -1.505 6.025 1.00 0.00 C ATOM 920 O ARG A 63 9.039 -1.743 6.125 1.00 0.00 O ATOM 921 CB ARG A 63 11.265 -2.971 7.775 1.00 0.00 C ATOM 922 CG ARG A 63 12.396 -3.762 7.138 1.00 0.00 C ATOM 923 CD ARG A 63 12.922 -4.836 8.077 1.00 0.00 C ATOM 924 NE ARG A 63 13.678 -4.268 9.190 1.00 0.00 N ATOM 925 CZ ARG A 63 14.575 -4.951 9.893 1.00 0.00 C ATOM 926 NH1 ARG A 63 14.827 -6.219 9.599 1.00 0.00 N ATOM 927 NH2 ARG A 63 15.223 -4.364 10.891 1.00 0.00 N ATOM 0 H ARG A 63 9.723 -0.916 8.658 1.00 0.00 H new ATOM 0 HA ARG A 63 12.138 -1.183 6.962 1.00 0.00 H new ATOM 0 HB2 ARG A 63 11.415 -2.944 8.854 1.00 0.00 H new ATOM 0 HB3 ARG A 63 10.324 -3.491 7.597 1.00 0.00 H new ATOM 0 HG2 ARG A 63 12.044 -4.224 6.216 1.00 0.00 H new ATOM 0 HG3 ARG A 63 13.207 -3.086 6.866 1.00 0.00 H new ATOM 0 HD2 ARG A 63 12.087 -5.418 8.466 1.00 0.00 H new ATOM 0 HD3 ARG A 63 13.558 -5.524 7.520 1.00 0.00 H new ATOM 0 HE ARG A 63 13.508 -3.294 9.441 1.00 0.00 H new ATOM 0 HH11 ARG A 63 14.332 -6.673 8.831 1.00 0.00 H new ATOM 0 HH12 ARG A 63 15.516 -6.741 10.140 1.00 0.00 H new ATOM 0 HH21 ARG A 63 15.033 -3.388 11.119 1.00 0.00 H new ATOM 0 HH22 ARG A 63 15.912 -4.889 11.431 1.00 0.00 H new ATOM 941 N GLU A 64 10.828 -1.208 4.870 1.00 0.00 N ATOM 942 CA GLU A 64 10.072 -1.143 3.625 1.00 0.00 C ATOM 943 C GLU A 64 9.503 -2.512 3.262 1.00 0.00 C ATOM 944 O GLU A 64 10.246 -3.443 2.950 1.00 0.00 O ATOM 945 CB GLU A 64 10.961 -0.631 2.489 1.00 0.00 C ATOM 946 CG GLU A 64 10.199 -0.332 1.209 1.00 0.00 C ATOM 947 CD GLU A 64 11.099 -0.306 -0.012 1.00 0.00 C ATOM 948 OE1 GLU A 64 12.069 0.479 -0.017 1.00 0.00 O ATOM 949 OE2 GLU A 64 10.832 -1.071 -0.962 1.00 0.00 O ATOM 0 H GLU A 64 11.823 -1.009 4.770 1.00 0.00 H new ATOM 0 HA GLU A 64 9.243 -0.450 3.769 1.00 0.00 H new ATOM 0 HB2 GLU A 64 11.472 0.274 2.818 1.00 0.00 H new ATOM 0 HB3 GLU A 64 11.731 -1.373 2.279 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.423 -1.084 1.068 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.696 0.630 1.306 1.00 0.00 H new ATOM 956 N PHE A 65 8.180 -2.626 3.306 1.00 0.00 N ATOM 957 CA PHE A 65 7.509 -3.880 2.983 1.00 0.00 C ATOM 958 C PHE A 65 8.088 -4.495 1.712 1.00 0.00 C ATOM 959 O PHE A 65 8.655 -3.796 0.872 1.00 0.00 O ATOM 960 CB PHE A 65 6.006 -3.651 2.813 1.00 0.00 C ATOM 961 CG PHE A 65 5.287 -3.404 4.109 1.00 0.00 C ATOM 962 CD1 PHE A 65 5.020 -4.450 4.978 1.00 0.00 C ATOM 963 CD2 PHE A 65 4.880 -2.127 4.458 1.00 0.00 C ATOM 964 CE1 PHE A 65 4.358 -4.225 6.170 1.00 0.00 C ATOM 965 CE2 PHE A 65 4.218 -1.896 5.649 1.00 0.00 C ATOM 966 CZ PHE A 65 3.957 -2.947 6.507 1.00 0.00 C ATOM 0 H PHE A 65 7.551 -1.865 3.562 1.00 0.00 H new ATOM 0 HA PHE A 65 7.672 -4.573 3.808 1.00 0.00 H new ATOM 0 HB2 PHE A 65 5.849 -2.799 2.151 1.00 0.00 H new ATOM 0 HB3 PHE A 65 5.567 -4.520 2.323 1.00 0.00 H new ATOM 0 HD1 PHE A 65 5.333 -5.451 4.721 1.00 0.00 H new ATOM 0 HD2 PHE A 65 5.082 -1.302 3.791 1.00 0.00 H new ATOM 0 HE1 PHE A 65 4.154 -5.049 6.838 1.00 0.00 H new ATOM 0 HE2 PHE A 65 3.905 -0.895 5.909 1.00 0.00 H new ATOM 0 HZ PHE A 65 3.441 -2.770 7.439 1.00 0.00 H new ATOM 976 N THR A 66 7.942 -5.810 1.578 1.00 0.00 N ATOM 977 CA THR A 66 8.451 -6.520 0.412 1.00 0.00 C ATOM 978 C THR A 66 7.315 -7.140 -0.394 1.00 0.00 C ATOM 979 O THR A 66 6.258 -7.461 0.151 1.00 0.00 O ATOM 980 CB THR A 66 9.441 -7.628 0.817 1.00 0.00 C ATOM 981 OG1 THR A 66 8.780 -8.602 1.633 1.00 0.00 O ATOM 982 CG2 THR A 66 10.625 -7.046 1.574 1.00 0.00 C ATOM 0 H THR A 66 7.475 -6.404 2.263 1.00 0.00 H new ATOM 0 HA THR A 66 8.971 -5.785 -0.203 1.00 0.00 H new ATOM 0 HB THR A 66 9.809 -8.105 -0.092 1.00 0.00 H new ATOM 0 HG1 THR A 66 8.266 -8.148 2.333 1.00 0.00 H new ATOM 0 HG21 THR A 66 11.310 -7.848 1.849 1.00 0.00 H new ATOM 0 HG22 THR A 66 11.144 -6.327 0.940 1.00 0.00 H new ATOM 0 HG23 THR A 66 10.270 -6.546 2.475 1.00 0.00 H new ATOM 990 N ARG A 67 7.539 -7.306 -1.693 1.00 0.00 N ATOM 991 CA ARG A 67 6.533 -7.887 -2.574 1.00 0.00 C ATOM 992 C ARG A 67 5.834 -9.063 -1.899 1.00 0.00 C ATOM 993 O ARG A 67 4.633 -9.268 -2.075 1.00 0.00 O ATOM 994 CB ARG A 67 7.175 -8.346 -3.884 1.00 0.00 C ATOM 995 CG ARG A 67 8.227 -9.427 -3.701 1.00 0.00 C ATOM 996 CD ARG A 67 8.566 -10.104 -5.020 1.00 0.00 C ATOM 997 NE ARG A 67 9.525 -9.329 -5.802 1.00 0.00 N ATOM 998 CZ ARG A 67 9.771 -9.548 -7.089 1.00 0.00 C ATOM 999 NH1 ARG A 67 9.131 -10.512 -7.736 1.00 0.00 N ATOM 1000 NH2 ARG A 67 10.659 -8.800 -7.732 1.00 0.00 N ATOM 0 H ARG A 67 8.408 -7.046 -2.159 1.00 0.00 H new ATOM 0 HA ARG A 67 5.790 -7.120 -2.791 1.00 0.00 H new ATOM 0 HB2 ARG A 67 6.396 -8.718 -4.550 1.00 0.00 H new ATOM 0 HB3 ARG A 67 7.631 -7.487 -4.376 1.00 0.00 H new ATOM 0 HG2 ARG A 67 9.129 -8.990 -3.273 1.00 0.00 H new ATOM 0 HG3 ARG A 67 7.866 -10.171 -2.991 1.00 0.00 H new ATOM 0 HD2 ARG A 67 8.975 -11.095 -4.824 1.00 0.00 H new ATOM 0 HD3 ARG A 67 7.654 -10.244 -5.600 1.00 0.00 H new ATOM 0 HE ARG A 67 10.034 -8.579 -5.335 1.00 0.00 H new ATOM 0 HH11 ARG A 67 8.447 -11.088 -7.246 1.00 0.00 H new ATOM 0 HH12 ARG A 67 9.322 -10.677 -8.724 1.00 0.00 H new ATOM 0 HH21 ARG A 67 11.153 -8.057 -7.238 1.00 0.00 H new ATOM 0 HH22 ARG A 67 10.848 -8.968 -8.720 1.00 0.00 H new ATOM 1014 N GLU A 68 6.594 -9.833 -1.126 1.00 0.00 N ATOM 1015 CA GLU A 68 6.046 -10.989 -0.426 1.00 0.00 C ATOM 1016 C GLU A 68 5.062 -10.554 0.656 1.00 0.00 C ATOM 1017 O GLU A 68 3.987 -11.135 0.802 1.00 0.00 O ATOM 1018 CB GLU A 68 7.173 -11.817 0.196 1.00 0.00 C ATOM 1019 CG GLU A 68 8.170 -12.349 -0.819 1.00 0.00 C ATOM 1020 CD GLU A 68 7.498 -13.026 -1.997 1.00 0.00 C ATOM 1021 OE1 GLU A 68 7.202 -14.235 -1.896 1.00 0.00 O ATOM 1022 OE2 GLU A 68 7.268 -12.348 -3.021 1.00 0.00 O ATOM 0 H GLU A 68 7.590 -9.677 -0.969 1.00 0.00 H new ATOM 0 HA GLU A 68 5.512 -11.602 -1.152 1.00 0.00 H new ATOM 0 HB2 GLU A 68 7.702 -11.204 0.926 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.738 -12.656 0.740 1.00 0.00 H new ATOM 0 HG2 GLU A 68 8.788 -11.527 -1.181 1.00 0.00 H new ATOM 0 HG3 GLU A 68 8.838 -13.058 -0.330 1.00 0.00 H new ATOM 1029 N ASP A 69 5.439 -9.529 1.413 1.00 0.00 N ATOM 1030 CA ASP A 69 4.590 -9.015 2.482 1.00 0.00 C ATOM 1031 C ASP A 69 3.165 -8.794 1.985 1.00 0.00 C ATOM 1032 O ASP A 69 2.199 -9.126 2.673 1.00 0.00 O ATOM 1033 CB ASP A 69 5.161 -7.707 3.030 1.00 0.00 C ATOM 1034 CG ASP A 69 6.315 -7.935 3.987 1.00 0.00 C ATOM 1035 OD1 ASP A 69 7.286 -8.614 3.593 1.00 0.00 O ATOM 1036 OD2 ASP A 69 6.247 -7.435 5.129 1.00 0.00 O ATOM 0 H ASP A 69 6.327 -9.038 1.306 1.00 0.00 H new ATOM 0 HA ASP A 69 4.566 -9.755 3.282 1.00 0.00 H new ATOM 0 HB2 ASP A 69 5.498 -7.085 2.201 1.00 0.00 H new ATOM 0 HB3 ASP A 69 4.372 -7.156 3.542 1.00 0.00 H new ATOM 1041 N TYR A 70 3.042 -8.231 0.788 1.00 0.00 N ATOM 1042 CA TYR A 70 1.734 -7.963 0.201 1.00 0.00 C ATOM 1043 C TYR A 70 0.992 -9.262 -0.095 1.00 0.00 C ATOM 1044 O TYR A 70 -0.238 -9.298 -0.120 1.00 0.00 O ATOM 1045 CB TYR A 70 1.887 -7.146 -1.083 1.00 0.00 C ATOM 1046 CG TYR A 70 2.279 -5.706 -0.841 1.00 0.00 C ATOM 1047 CD1 TYR A 70 1.443 -4.845 -0.140 1.00 0.00 C ATOM 1048 CD2 TYR A 70 3.486 -5.205 -1.314 1.00 0.00 C ATOM 1049 CE1 TYR A 70 1.797 -3.529 0.082 1.00 0.00 C ATOM 1050 CE2 TYR A 70 3.849 -3.890 -1.095 1.00 0.00 C ATOM 1051 CZ TYR A 70 3.001 -3.056 -0.396 1.00 0.00 C ATOM 1052 OH TYR A 70 3.358 -1.745 -0.177 1.00 0.00 O ATOM 0 H TYR A 70 3.831 -7.952 0.206 1.00 0.00 H new ATOM 0 HA TYR A 70 1.151 -7.390 0.922 1.00 0.00 H new ATOM 0 HB2 TYR A 70 2.639 -7.617 -1.716 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.946 -7.170 -1.633 1.00 0.00 H new ATOM 0 HD1 TYR A 70 0.500 -5.212 0.238 1.00 0.00 H new ATOM 0 HD2 TYR A 70 4.152 -5.855 -1.862 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.134 -2.873 0.627 1.00 0.00 H new ATOM 0 HE2 TYR A 70 4.791 -3.517 -1.469 1.00 0.00 H new ATOM 0 HH TYR A 70 4.236 -1.574 -0.578 1.00 0.00 H new ATOM 1062 N LYS A 71 1.750 -10.331 -0.318 1.00 0.00 N ATOM 1063 CA LYS A 71 1.167 -11.635 -0.611 1.00 0.00 C ATOM 1064 C LYS A 71 0.723 -12.332 0.671 1.00 0.00 C ATOM 1065 O LYS A 71 -0.121 -13.228 0.641 1.00 0.00 O ATOM 1066 CB LYS A 71 2.176 -12.511 -1.357 1.00 0.00 C ATOM 1067 CG LYS A 71 2.669 -11.899 -2.657 1.00 0.00 C ATOM 1068 CD LYS A 71 1.632 -12.023 -3.760 1.00 0.00 C ATOM 1069 CE LYS A 71 2.266 -11.898 -5.137 1.00 0.00 C ATOM 1070 NZ LYS A 71 1.309 -12.252 -6.222 1.00 0.00 N ATOM 0 H LYS A 71 2.770 -10.320 -0.301 1.00 0.00 H new ATOM 0 HA LYS A 71 0.292 -11.481 -1.242 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.030 -12.700 -0.707 1.00 0.00 H new ATOM 0 HB3 LYS A 71 1.718 -13.477 -1.571 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.908 -10.848 -2.498 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.591 -12.392 -2.966 1.00 0.00 H new ATOM 0 HD2 LYS A 71 1.125 -12.984 -3.678 1.00 0.00 H new ATOM 0 HD3 LYS A 71 0.873 -11.250 -3.636 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.619 -10.877 -5.283 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.139 -12.549 -5.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 1.779 -12.154 -7.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 0.991 -13.234 -6.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 0.488 -11.615 -6.182 1.00 0.00 H new ATOM 1084 N ARG A 72 1.295 -11.915 1.795 1.00 0.00 N ATOM 1085 CA ARG A 72 0.957 -12.499 3.087 1.00 0.00 C ATOM 1086 C ARG A 72 -0.202 -11.750 3.737 1.00 0.00 C ATOM 1087 O ARG A 72 -0.163 -10.527 3.878 1.00 0.00 O ATOM 1088 CB ARG A 72 2.175 -12.480 4.014 1.00 0.00 C ATOM 1089 CG ARG A 72 3.371 -13.238 3.464 1.00 0.00 C ATOM 1090 CD ARG A 72 4.681 -12.661 3.979 1.00 0.00 C ATOM 1091 NE ARG A 72 5.056 -13.226 5.273 1.00 0.00 N ATOM 1092 CZ ARG A 72 6.312 -13.333 5.691 1.00 0.00 C ATOM 1093 NH1 ARG A 72 7.308 -12.915 4.923 1.00 0.00 N ATOM 1094 NH2 ARG A 72 6.573 -13.858 6.882 1.00 0.00 N ATOM 0 H ARG A 72 1.995 -11.174 1.837 1.00 0.00 H new ATOM 0 HA ARG A 72 0.651 -13.532 2.921 1.00 0.00 H new ATOM 0 HB2 ARG A 72 2.465 -11.445 4.198 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.895 -12.909 4.976 1.00 0.00 H new ATOM 0 HG2 ARG A 72 3.299 -14.288 3.746 1.00 0.00 H new ATOM 0 HG3 ARG A 72 3.358 -13.199 2.375 1.00 0.00 H new ATOM 0 HD2 ARG A 72 5.472 -12.856 3.255 1.00 0.00 H new ATOM 0 HD3 ARG A 72 4.590 -11.578 4.069 1.00 0.00 H new ATOM 0 HE ARG A 72 4.313 -13.556 5.889 1.00 0.00 H new ATOM 0 HH11 ARG A 72 7.111 -12.510 4.008 1.00 0.00 H new ATOM 0 HH12 ARG A 72 8.272 -12.999 5.247 1.00 0.00 H new ATOM 0 HH21 ARG A 72 5.809 -14.179 7.476 1.00 0.00 H new ATOM 0 HH22 ARG A 72 7.538 -13.940 7.203 1.00 0.00 H new ATOM 1108 N ARG A 73 -1.233 -12.491 4.130 1.00 0.00 N ATOM 1109 CA ARG A 73 -2.404 -11.896 4.763 1.00 0.00 C ATOM 1110 C ARG A 73 -1.992 -10.939 5.878 1.00 0.00 C ATOM 1111 O ARG A 73 -0.970 -11.137 6.535 1.00 0.00 O ATOM 1112 CB ARG A 73 -3.316 -12.988 5.325 1.00 0.00 C ATOM 1113 CG ARG A 73 -3.850 -13.940 4.267 1.00 0.00 C ATOM 1114 CD ARG A 73 -4.834 -14.936 4.859 1.00 0.00 C ATOM 1115 NE ARG A 73 -4.158 -16.080 5.465 1.00 0.00 N ATOM 1116 CZ ARG A 73 -3.494 -16.995 4.767 1.00 0.00 C ATOM 1117 NH1 ARG A 73 -3.418 -16.900 3.446 1.00 0.00 N ATOM 1118 NH2 ARG A 73 -2.905 -18.008 5.389 1.00 0.00 N ATOM 0 H ARG A 73 -1.281 -13.504 4.021 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.948 -11.332 4.006 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.766 -13.560 6.072 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -4.156 -12.520 5.838 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -4.339 -13.370 3.477 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.020 -14.476 3.807 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.446 -14.437 5.610 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -5.509 -15.286 4.078 1.00 0.00 H new ATOM 0 HE ARG A 73 -4.198 -16.182 6.479 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -3.870 -16.123 2.964 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -2.908 -17.604 2.913 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -2.962 -18.085 6.404 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -2.396 -18.710 4.852 1.00 0.00 H new ATOM 1132 N LEU A 74 -2.795 -9.900 6.084 1.00 0.00 N ATOM 1133 CA LEU A 74 -2.514 -8.911 7.119 1.00 0.00 C ATOM 1134 C LEU A 74 -2.207 -9.588 8.451 1.00 0.00 C ATOM 1135 O LEU A 74 -1.132 -9.401 9.022 1.00 0.00 O ATOM 1136 CB LEU A 74 -3.702 -7.960 7.279 1.00 0.00 C ATOM 1137 CG LEU A 74 -3.737 -6.764 6.327 1.00 0.00 C ATOM 1138 CD1 LEU A 74 -5.139 -6.180 6.256 1.00 0.00 C ATOM 1139 CD2 LEU A 74 -2.737 -5.704 6.766 1.00 0.00 C ATOM 0 H LEU A 74 -3.645 -9.721 5.549 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.638 -8.340 6.813 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.620 -8.532 7.146 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.706 -7.585 8.302 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.458 -7.108 5.331 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.145 -5.330 5.574 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.832 -6.940 5.895 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.447 -5.851 7.249 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.775 -4.860 6.077 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.985 -5.364 7.771 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.733 -6.128 6.764 1.00 0.00 H new ATOM 1151 N LEU A 75 -3.157 -10.377 8.941 1.00 0.00 N ATOM 1152 CA LEU A 75 -2.988 -11.085 10.205 1.00 0.00 C ATOM 1153 C LEU A 75 -1.686 -11.879 10.214 1.00 0.00 C ATOM 1154 O LEU A 75 -1.139 -12.181 11.275 1.00 0.00 O ATOM 1155 CB LEU A 75 -4.173 -12.021 10.450 1.00 0.00 C ATOM 1156 CG LEU A 75 -4.051 -13.426 9.858 1.00 0.00 C ATOM 1157 CD1 LEU A 75 -5.223 -14.292 10.294 1.00 0.00 C ATOM 1158 CD2 LEU A 75 -3.970 -13.360 8.340 1.00 0.00 C ATOM 0 H LEU A 75 -4.053 -10.543 8.482 1.00 0.00 H new ATOM 0 HA LEU A 75 -2.946 -10.346 11.005 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.321 -12.113 11.526 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.070 -11.554 10.044 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.132 -13.879 10.231 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.119 -15.288 9.863 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.236 -14.366 11.381 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.155 -13.843 9.950 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.884 -14.369 7.936 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.871 -12.888 7.948 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.097 -12.776 8.047 1.00 0.00 H new ATOM 1170 N ASP A 76 -1.195 -12.213 9.026 1.00 0.00 N ATOM 1171 CA ASP A 76 0.045 -12.970 8.896 1.00 0.00 C ATOM 1172 C ASP A 76 1.250 -12.105 9.254 1.00 0.00 C ATOM 1173 O ASP A 76 2.251 -12.600 9.772 1.00 0.00 O ATOM 1174 CB ASP A 76 0.193 -13.508 7.472 1.00 0.00 C ATOM 1175 CG ASP A 76 0.973 -14.807 7.422 1.00 0.00 C ATOM 1176 OD1 ASP A 76 2.045 -14.879 8.058 1.00 0.00 O ATOM 1177 OD2 ASP A 76 0.513 -15.751 6.746 1.00 0.00 O ATOM 0 H ASP A 76 -1.637 -11.972 8.139 1.00 0.00 H new ATOM 0 HA ASP A 76 0.003 -13.809 9.590 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.796 -13.665 7.041 1.00 0.00 H new ATOM 0 HB3 ASP A 76 0.695 -12.762 6.855 1.00 0.00 H new ATOM 1182 N LEU A 77 1.146 -10.811 8.974 1.00 0.00 N ATOM 1183 CA LEU A 77 2.227 -9.876 9.265 1.00 0.00 C ATOM 1184 C LEU A 77 2.019 -9.208 10.621 1.00 0.00 C ATOM 1185 O LEU A 77 2.557 -8.132 10.882 1.00 0.00 O ATOM 1186 CB LEU A 77 2.318 -8.813 8.169 1.00 0.00 C ATOM 1187 CG LEU A 77 2.626 -9.325 6.762 1.00 0.00 C ATOM 1188 CD1 LEU A 77 2.180 -8.315 5.716 1.00 0.00 C ATOM 1189 CD2 LEU A 77 4.111 -9.624 6.617 1.00 0.00 C ATOM 0 H LEU A 77 0.324 -10.385 8.546 1.00 0.00 H new ATOM 0 HA LEU A 77 3.161 -10.437 9.296 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.373 -8.270 8.138 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.089 -8.095 8.450 1.00 0.00 H new ATOM 0 HG LEU A 77 2.071 -10.250 6.604 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.408 -8.697 4.721 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.106 -8.150 5.804 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.706 -7.373 5.872 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.312 -9.987 5.609 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.684 -8.714 6.796 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.401 -10.385 7.342 1.00 0.00 H new ATOM 1201 N GLU A 78 1.237 -9.854 11.480 1.00 0.00 N ATOM 1202 CA GLU A 78 0.960 -9.323 12.809 1.00 0.00 C ATOM 1203 C GLU A 78 0.181 -8.013 12.720 1.00 0.00 C ATOM 1204 O GLU A 78 0.261 -7.168 13.612 1.00 0.00 O ATOM 1205 CB GLU A 78 2.265 -9.101 13.576 1.00 0.00 C ATOM 1206 CG GLU A 78 3.140 -10.340 13.659 1.00 0.00 C ATOM 1207 CD GLU A 78 4.569 -10.020 14.052 1.00 0.00 C ATOM 1208 OE1 GLU A 78 5.180 -9.144 13.404 1.00 0.00 O ATOM 1209 OE2 GLU A 78 5.077 -10.646 15.006 1.00 0.00 O ATOM 0 H GLU A 78 0.784 -10.746 11.279 1.00 0.00 H new ATOM 0 HA GLU A 78 0.352 -10.052 13.344 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.828 -8.301 13.095 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.030 -8.764 14.586 1.00 0.00 H new ATOM 0 HG2 GLU A 78 2.714 -11.033 14.385 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.137 -10.847 12.694 1.00 0.00 H new ATOM 1216 N LEU A 79 -0.571 -7.852 11.637 1.00 0.00 N ATOM 1217 CA LEU A 79 -1.365 -6.646 11.430 1.00 0.00 C ATOM 1218 C LEU A 79 -2.851 -6.931 11.627 1.00 0.00 C ATOM 1219 O LEU A 79 -3.705 -6.183 11.152 1.00 0.00 O ATOM 1220 CB LEU A 79 -1.123 -6.088 10.026 1.00 0.00 C ATOM 1221 CG LEU A 79 0.338 -5.978 9.590 1.00 0.00 C ATOM 1222 CD1 LEU A 79 0.436 -5.372 8.199 1.00 0.00 C ATOM 1223 CD2 LEU A 79 1.133 -5.152 10.591 1.00 0.00 C ATOM 0 H LEU A 79 -0.648 -8.541 10.889 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.055 -5.906 12.168 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.648 -6.720 9.310 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.574 -5.097 9.968 1.00 0.00 H new ATOM 0 HG LEU A 79 0.764 -6.981 9.558 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.483 -5.302 7.906 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.098 -6.003 7.489 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.007 -4.376 8.204 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.171 -5.084 10.264 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.707 -4.151 10.656 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.091 -5.628 11.570 1.00 0.00 H new ATOM 1235 N ALA A 80 -3.151 -8.016 12.333 1.00 0.00 N ATOM 1236 CA ALA A 80 -4.533 -8.397 12.596 1.00 0.00 C ATOM 1237 C ALA A 80 -5.236 -7.352 13.456 1.00 0.00 C ATOM 1238 O ALA A 80 -6.240 -6.760 13.058 1.00 0.00 O ATOM 1239 CB ALA A 80 -4.585 -9.760 13.271 1.00 0.00 C ATOM 0 H ALA A 80 -2.456 -8.646 12.733 1.00 0.00 H new ATOM 0 HA ALA A 80 -5.056 -8.456 11.641 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -5.623 -10.032 13.462 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -4.128 -10.506 12.621 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -4.041 -9.720 14.215 1.00 0.00 H new ATOM 1245 N PRO A 81 -4.700 -7.119 14.663 1.00 0.00 N ATOM 1246 CA PRO A 81 -5.260 -6.144 15.603 1.00 0.00 C ATOM 1247 C PRO A 81 -5.069 -4.707 15.132 1.00 0.00 C ATOM 1248 O PRO A 81 -5.907 -4.162 14.413 1.00 0.00 O ATOM 1249 CB PRO A 81 -4.468 -6.395 16.888 1.00 0.00 C ATOM 1250 CG PRO A 81 -3.178 -6.983 16.430 1.00 0.00 C ATOM 1251 CD PRO A 81 -3.504 -7.788 15.202 1.00 0.00 C ATOM 0 HA PRO A 81 -6.337 -6.263 15.719 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -4.307 -5.469 17.441 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.999 -7.076 17.554 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -2.452 -6.202 16.204 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -2.739 -7.612 17.204 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -2.682 -7.780 14.486 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -3.703 -8.831 15.447 1.00 0.00 H new ATOM 1259 N SER A 82 -3.960 -4.098 15.540 1.00 0.00 N ATOM 1260 CA SER A 82 -3.661 -2.722 15.161 1.00 0.00 C ATOM 1261 C SER A 82 -2.461 -2.666 14.221 1.00 0.00 C ATOM 1262 O SER A 82 -1.507 -3.430 14.368 1.00 0.00 O ATOM 1263 CB SER A 82 -3.387 -1.876 16.406 1.00 0.00 C ATOM 1264 OG SER A 82 -2.456 -2.515 17.262 1.00 0.00 O ATOM 0 H SER A 82 -3.254 -4.535 16.133 1.00 0.00 H new ATOM 0 HA SER A 82 -4.529 -2.318 14.639 1.00 0.00 H new ATOM 0 HB2 SER A 82 -3.002 -0.900 16.109 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.319 -1.701 16.943 1.00 0.00 H new ATOM 0 HG SER A 82 -2.297 -1.954 18.049 1.00 0.00 H new ATOM 1270 N ALA A 83 -2.516 -1.756 13.254 1.00 0.00 N ATOM 1271 CA ALA A 83 -1.434 -1.598 12.290 1.00 0.00 C ATOM 1272 C ALA A 83 -1.277 -0.139 11.875 1.00 0.00 C ATOM 1273 O ALA A 83 -2.257 0.602 11.794 1.00 0.00 O ATOM 1274 CB ALA A 83 -1.682 -2.472 11.070 1.00 0.00 C ATOM 0 H ALA A 83 -3.299 -1.117 13.117 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.507 -1.914 12.767 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.866 -2.344 10.359 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.736 -3.517 11.376 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.622 -2.183 10.600 1.00 0.00 H new ATOM 1280 N SER A 84 -0.038 0.268 11.615 1.00 0.00 N ATOM 1281 CA SER A 84 0.247 1.640 11.213 1.00 0.00 C ATOM 1282 C SER A 84 1.194 1.670 10.017 1.00 0.00 C ATOM 1283 O SER A 84 2.395 1.437 10.155 1.00 0.00 O ATOM 1284 CB SER A 84 0.857 2.419 12.380 1.00 0.00 C ATOM 1285 OG SER A 84 0.021 2.362 13.523 1.00 0.00 O ATOM 0 H SER A 84 0.784 -0.333 11.676 1.00 0.00 H new ATOM 0 HA SER A 84 -0.693 2.110 10.923 1.00 0.00 H new ATOM 0 HB2 SER A 84 1.838 2.009 12.622 1.00 0.00 H new ATOM 0 HB3 SER A 84 1.009 3.458 12.088 1.00 0.00 H new ATOM 0 HG SER A 84 0.433 2.866 14.255 1.00 0.00 H new ATOM 1291 N VAL A 85 0.644 1.958 8.842 1.00 0.00 N ATOM 1292 CA VAL A 85 1.438 2.020 7.620 1.00 0.00 C ATOM 1293 C VAL A 85 1.625 3.460 7.159 1.00 0.00 C ATOM 1294 O VAL A 85 0.654 4.181 6.927 1.00 0.00 O ATOM 1295 CB VAL A 85 0.785 1.209 6.485 1.00 0.00 C ATOM 1296 CG1 VAL A 85 1.002 -0.281 6.699 1.00 0.00 C ATOM 1297 CG2 VAL A 85 -0.699 1.531 6.386 1.00 0.00 C ATOM 0 H VAL A 85 -0.349 2.152 8.710 1.00 0.00 H new ATOM 0 HA VAL A 85 2.411 1.587 7.852 1.00 0.00 H new ATOM 0 HB VAL A 85 1.258 1.489 5.544 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.533 -0.837 5.887 1.00 0.00 H new ATOM 0 HG12 VAL A 85 2.071 -0.494 6.716 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.557 -0.581 7.648 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.144 0.949 5.579 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.189 1.281 7.327 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.828 2.594 6.181 1.00 0.00 H new ATOM 1307 N VAL A 86 2.881 3.875 7.027 1.00 0.00 N ATOM 1308 CA VAL A 86 3.197 5.230 6.591 1.00 0.00 C ATOM 1309 C VAL A 86 3.270 5.316 5.071 1.00 0.00 C ATOM 1310 O VAL A 86 3.888 4.472 4.420 1.00 0.00 O ATOM 1311 CB VAL A 86 4.533 5.714 7.186 1.00 0.00 C ATOM 1312 CG1 VAL A 86 4.303 6.409 8.520 1.00 0.00 C ATOM 1313 CG2 VAL A 86 5.499 4.549 7.343 1.00 0.00 C ATOM 0 H VAL A 86 3.696 3.292 7.216 1.00 0.00 H new ATOM 0 HA VAL A 86 2.393 5.873 6.950 1.00 0.00 H new ATOM 0 HB VAL A 86 4.977 6.435 6.499 1.00 0.00 H new ATOM 0 HG11 VAL A 86 5.258 6.744 8.925 1.00 0.00 H new ATOM 0 HG12 VAL A 86 3.649 7.269 8.374 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.837 5.713 9.217 1.00 0.00 H new ATOM 0 HG21 VAL A 86 6.438 4.909 7.765 1.00 0.00 H new ATOM 0 HG22 VAL A 86 5.065 3.803 8.009 1.00 0.00 H new ATOM 0 HG23 VAL A 86 5.688 4.099 6.368 1.00 0.00 H new ATOM 1323 N LEU A 87 2.636 6.340 4.510 1.00 0.00 N ATOM 1324 CA LEU A 87 2.629 6.537 3.065 1.00 0.00 C ATOM 1325 C LEU A 87 3.851 7.332 2.618 1.00 0.00 C ATOM 1326 O LEU A 87 4.085 8.448 3.086 1.00 0.00 O ATOM 1327 CB LEU A 87 1.351 7.259 2.635 1.00 0.00 C ATOM 1328 CG LEU A 87 1.089 7.320 1.130 1.00 0.00 C ATOM 1329 CD1 LEU A 87 -0.406 7.353 0.850 1.00 0.00 C ATOM 1330 CD2 LEU A 87 1.775 8.532 0.517 1.00 0.00 C ATOM 0 H LEU A 87 2.120 7.047 5.034 1.00 0.00 H new ATOM 0 HA LEU A 87 2.663 5.557 2.589 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.502 6.768 3.112 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.387 8.278 3.019 1.00 0.00 H new ATOM 0 HG LEU A 87 1.505 6.423 0.672 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.574 7.396 -0.226 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.872 6.454 1.254 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.845 8.232 1.321 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.577 8.559 -0.555 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.390 9.441 0.980 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.850 8.466 0.686 1.00 0.00 H new ATOM 1342 N LEU A 88 4.627 6.753 1.709 1.00 0.00 N ATOM 1343 CA LEU A 88 5.825 7.409 1.196 1.00 0.00 C ATOM 1344 C LEU A 88 5.617 7.877 -0.241 1.00 0.00 C ATOM 1345 O LEU A 88 5.590 7.082 -1.181 1.00 0.00 O ATOM 1346 CB LEU A 88 7.021 6.458 1.266 1.00 0.00 C ATOM 1347 CG LEU A 88 7.388 5.943 2.659 1.00 0.00 C ATOM 1348 CD1 LEU A 88 8.366 4.783 2.558 1.00 0.00 C ATOM 1349 CD2 LEU A 88 7.974 7.065 3.505 1.00 0.00 C ATOM 0 H LEU A 88 4.448 5.831 1.312 1.00 0.00 H new ATOM 0 HA LEU A 88 6.025 8.282 1.818 1.00 0.00 H new ATOM 0 HB2 LEU A 88 6.816 5.600 0.626 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.890 6.967 0.848 1.00 0.00 H new ATOM 0 HG LEU A 88 6.480 5.585 3.144 1.00 0.00 H new ATOM 0 HD11 LEU A 88 8.616 4.430 3.558 1.00 0.00 H new ATOM 0 HD12 LEU A 88 7.911 3.972 1.990 1.00 0.00 H new ATOM 0 HD13 LEU A 88 9.273 5.115 2.053 1.00 0.00 H new ATOM 0 HD21 LEU A 88 8.229 6.681 4.493 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.872 7.453 3.023 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.241 7.866 3.606 1.00 0.00 H new ATOM 1361 N PRO A 89 5.470 9.198 -0.418 1.00 0.00 N ATOM 1362 CA PRO A 89 5.265 9.802 -1.738 1.00 0.00 C ATOM 1363 C PRO A 89 6.513 9.725 -2.611 1.00 0.00 C ATOM 1364 O PRO A 89 7.636 9.763 -2.109 1.00 0.00 O ATOM 1365 CB PRO A 89 4.928 11.259 -1.413 1.00 0.00 C ATOM 1366 CG PRO A 89 5.563 11.509 -0.089 1.00 0.00 C ATOM 1367 CD PRO A 89 5.492 10.205 0.656 1.00 0.00 C ATOM 0 HA PRO A 89 4.490 9.288 -2.306 1.00 0.00 H new ATOM 0 HB2 PRO A 89 5.319 11.935 -2.173 1.00 0.00 H new ATOM 0 HB3 PRO A 89 3.850 11.416 -1.371 1.00 0.00 H new ATOM 0 HG2 PRO A 89 6.596 11.835 -0.207 1.00 0.00 H new ATOM 0 HG3 PRO A 89 5.040 12.297 0.452 1.00 0.00 H new ATOM 0 HD2 PRO A 89 6.350 10.071 1.314 1.00 0.00 H new ATOM 0 HD3 PRO A 89 4.600 10.147 1.280 1.00 0.00 H new ATOM 1375 N ALA A 90 6.308 9.618 -3.920 1.00 0.00 N ATOM 1376 CA ALA A 90 7.417 9.539 -4.862 1.00 0.00 C ATOM 1377 C ALA A 90 7.772 10.917 -5.410 1.00 0.00 C ATOM 1378 O ALA A 90 8.937 11.313 -5.416 1.00 0.00 O ATOM 1379 CB ALA A 90 7.076 8.589 -6.000 1.00 0.00 C ATOM 0 H ALA A 90 5.384 9.584 -4.352 1.00 0.00 H new ATOM 0 HA ALA A 90 8.286 9.154 -4.329 1.00 0.00 H new ATOM 0 HB1 ALA A 90 7.913 8.540 -6.696 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.879 7.595 -5.598 1.00 0.00 H new ATOM 0 HB3 ALA A 90 6.190 8.950 -6.523 1.00 0.00 H new