USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 764 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 105 GLN : amide:sc= -0.201 K(o=-0.4,f=-5.6) USER MOD Set 1.2: A 107 LYS NZ :NH3+ -153:sc= -0.198 (180deg=-0.222) USER MOD Set 2.1: A 102 GLN : amide:sc= 0.668 K(o=1.6,f=-5.7!) USER MOD Set 2.2: A 103 ASN : amide:sc= 0.937 K(o=1.6,f=-0.15) USER MOD Set 3.1: A 20 THR OG1 : rot -66:sc= 0.841 USER MOD Set 3.2: A 39 THR OG1 : rot 174:sc= 0.692 USER MOD Set 4.1: A 17 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 69 GLN : amide:sc= 0 X(o=0,f=0.12) USER MOD Single : A 14 THR OG1 : rot 38:sc= 0.00556 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -41:sc= 0.1 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= -0.255 USER MOD Single : A 37 THR OG1 : rot 5:sc= -1.37! USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 62 MET CE :methyl 163:sc= -0.316 (180deg=-1.12) USER MOD Single : A 64 TYR OH : rot -3:sc= 1.24 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0.205 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0746 USER MOD Single : A 74 SER OG : rot 41:sc= 1 USER MOD Single : A 78 GLN : amide:sc= -5.01! C(o=-5!,f=-6.3!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 157:sc= 1.22 (180deg=0.204!) USER MOD Single : A 88 SER OG : rot 60:sc= 0.998 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -158:sc= 1.02 (180deg=0.101) USER MOD Single : A 95 ASN :FLIP amide:sc= -0.0171 F(o=-1.1,f=-0.017) USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.25 USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.0115 USER MOD Single : A 109 MET CE :methyl 168:sc= -1.24 (180deg=-1.52!) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.0379 USER MOD ----------------------------------------------------------------- ATOM 204 N THR A 14 7.727 15.259 -12.778 1.00 0.00 N ATOM 205 CA THR A 14 8.184 14.286 -11.803 1.00 0.00 C ATOM 206 C THR A 14 7.031 13.442 -11.243 1.00 0.00 C ATOM 207 O THR A 14 6.044 13.972 -10.726 1.00 0.00 O ATOM 208 CB THR A 14 8.941 15.002 -10.681 1.00 0.00 C ATOM 209 OG1 THR A 14 10.193 15.490 -11.183 1.00 0.00 O ATOM 210 CG2 THR A 14 9.176 14.105 -9.470 1.00 0.00 C ATOM 0 HA THR A 14 8.858 13.592 -12.305 1.00 0.00 H new ATOM 0 HB THR A 14 8.322 15.834 -10.345 1.00 0.00 H new ATOM 0 HG1 THR A 14 10.073 15.818 -12.099 1.00 0.00 H new ATOM 0 HG21 THR A 14 9.716 14.662 -8.704 1.00 0.00 H new ATOM 0 HG22 THR A 14 8.217 13.775 -9.070 1.00 0.00 H new ATOM 0 HG23 THR A 14 9.763 13.236 -9.769 1.00 0.00 H new ATOM 218 N PRO A 15 7.138 12.105 -11.373 1.00 0.00 N ATOM 219 CA PRO A 15 6.142 11.170 -10.844 1.00 0.00 C ATOM 220 C PRO A 15 6.050 11.238 -9.323 1.00 0.00 C ATOM 221 O PRO A 15 6.913 10.719 -8.612 1.00 0.00 O ATOM 222 CB PRO A 15 6.648 9.792 -11.288 1.00 0.00 C ATOM 223 CG PRO A 15 7.633 10.067 -12.372 1.00 0.00 C ATOM 224 CD PRO A 15 8.236 11.404 -12.057 1.00 0.00 C ATOM 0 HA PRO A 15 5.141 11.397 -11.210 1.00 0.00 H new ATOM 0 HB2 PRO A 15 7.113 9.258 -10.460 1.00 0.00 H new ATOM 0 HB3 PRO A 15 5.829 9.170 -11.649 1.00 0.00 H new ATOM 0 HG2 PRO A 15 8.399 9.293 -12.408 1.00 0.00 H new ATOM 0 HG3 PRO A 15 7.146 10.079 -13.347 1.00 0.00 H new ATOM 0 HD2 PRO A 15 9.115 11.311 -11.420 1.00 0.00 H new ATOM 0 HD3 PRO A 15 8.550 11.928 -12.959 1.00 0.00 H new ATOM 232 N PHE A 16 4.994 11.876 -8.840 1.00 0.00 N ATOM 233 CA PHE A 16 4.825 12.134 -7.413 1.00 0.00 C ATOM 234 C PHE A 16 4.569 10.857 -6.618 1.00 0.00 C ATOM 235 O PHE A 16 4.682 10.853 -5.400 1.00 0.00 O ATOM 236 CB PHE A 16 3.673 13.126 -7.186 1.00 0.00 C ATOM 237 CG PHE A 16 2.310 12.591 -7.555 1.00 0.00 C ATOM 238 CD1 PHE A 16 1.883 12.577 -8.874 1.00 0.00 C ATOM 239 CD2 PHE A 16 1.458 12.097 -6.576 1.00 0.00 C ATOM 240 CE1 PHE A 16 0.634 12.084 -9.209 1.00 0.00 C ATOM 241 CE2 PHE A 16 0.211 11.603 -6.906 1.00 0.00 C ATOM 242 CZ PHE A 16 -0.203 11.594 -8.223 1.00 0.00 C ATOM 0 H PHE A 16 4.233 12.229 -9.420 1.00 0.00 H new ATOM 0 HA PHE A 16 5.760 12.564 -7.053 1.00 0.00 H new ATOM 0 HB2 PHE A 16 3.663 13.419 -6.136 1.00 0.00 H new ATOM 0 HB3 PHE A 16 3.866 14.028 -7.767 1.00 0.00 H new ATOM 0 HD1 PHE A 16 2.533 12.955 -9.649 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.774 12.099 -5.543 1.00 0.00 H new ATOM 0 HE1 PHE A 16 0.313 12.082 -10.240 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.441 11.223 -6.133 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.177 11.206 -8.482 1.00 0.00 H new ATOM 252 N TYR A 17 4.228 9.778 -7.307 1.00 0.00 N ATOM 253 CA TYR A 17 3.850 8.542 -6.643 1.00 0.00 C ATOM 254 C TYR A 17 4.981 7.514 -6.649 1.00 0.00 C ATOM 255 O TYR A 17 4.794 6.375 -6.224 1.00 0.00 O ATOM 256 CB TYR A 17 2.599 7.962 -7.308 1.00 0.00 C ATOM 257 CG TYR A 17 2.762 7.599 -8.774 1.00 0.00 C ATOM 258 CD1 TYR A 17 2.786 8.580 -9.762 1.00 0.00 C ATOM 259 CD2 TYR A 17 2.875 6.271 -9.169 1.00 0.00 C ATOM 260 CE1 TYR A 17 2.915 8.247 -11.098 1.00 0.00 C ATOM 261 CE2 TYR A 17 3.008 5.932 -10.503 1.00 0.00 C ATOM 262 CZ TYR A 17 3.029 6.923 -11.462 1.00 0.00 C ATOM 263 OH TYR A 17 3.148 6.585 -12.791 1.00 0.00 O ATOM 0 H TYR A 17 4.206 9.735 -8.326 1.00 0.00 H new ATOM 0 HA TYR A 17 3.637 8.776 -5.600 1.00 0.00 H new ATOM 0 HB2 TYR A 17 2.295 7.070 -6.760 1.00 0.00 H new ATOM 0 HB3 TYR A 17 1.788 8.685 -7.216 1.00 0.00 H new ATOM 0 HD1 TYR A 17 2.702 9.619 -9.480 1.00 0.00 H new ATOM 0 HD2 TYR A 17 2.859 5.491 -8.422 1.00 0.00 H new ATOM 0 HE1 TYR A 17 2.926 9.020 -11.852 1.00 0.00 H new ATOM 0 HE2 TYR A 17 3.095 4.895 -10.793 1.00 0.00 H new ATOM 0 HH TYR A 17 3.219 5.611 -12.876 1.00 0.00 H new ATOM 273 N TYR A 18 6.158 7.912 -7.110 1.00 0.00 N ATOM 274 CA TYR A 18 7.274 6.979 -7.196 1.00 0.00 C ATOM 275 C TYR A 18 8.214 7.139 -6.009 1.00 0.00 C ATOM 276 O TYR A 18 8.699 8.237 -5.722 1.00 0.00 O ATOM 277 CB TYR A 18 8.040 7.163 -8.506 1.00 0.00 C ATOM 278 CG TYR A 18 9.166 6.168 -8.699 1.00 0.00 C ATOM 279 CD1 TYR A 18 8.897 4.822 -8.916 1.00 0.00 C ATOM 280 CD2 TYR A 18 10.495 6.573 -8.665 1.00 0.00 C ATOM 281 CE1 TYR A 18 9.918 3.910 -9.092 1.00 0.00 C ATOM 282 CE2 TYR A 18 11.522 5.665 -8.842 1.00 0.00 C ATOM 283 CZ TYR A 18 11.228 4.335 -9.053 1.00 0.00 C ATOM 284 OH TYR A 18 12.246 3.425 -9.229 1.00 0.00 O ATOM 0 H TYR A 18 6.364 8.860 -7.426 1.00 0.00 H new ATOM 0 HA TYR A 18 6.863 5.970 -7.175 1.00 0.00 H new ATOM 0 HB2 TYR A 18 7.343 7.075 -9.339 1.00 0.00 H new ATOM 0 HB3 TYR A 18 8.450 8.173 -8.538 1.00 0.00 H new ATOM 0 HD1 TYR A 18 7.872 4.484 -8.947 1.00 0.00 H new ATOM 0 HD2 TYR A 18 10.729 7.614 -8.498 1.00 0.00 H new ATOM 0 HE1 TYR A 18 9.691 2.868 -9.260 1.00 0.00 H new ATOM 0 HE2 TYR A 18 12.550 5.996 -8.815 1.00 0.00 H new ATOM 0 HH TYR A 18 13.109 3.885 -9.175 1.00 0.00 H new ATOM 294 N GLY A 19 8.463 6.033 -5.329 1.00 0.00 N ATOM 295 CA GLY A 19 9.346 6.041 -4.182 1.00 0.00 C ATOM 296 C GLY A 19 8.837 5.160 -3.061 1.00 0.00 C ATOM 297 O GLY A 19 7.907 4.372 -3.257 1.00 0.00 O ATOM 0 H GLY A 19 8.065 5.121 -5.553 1.00 0.00 H new ATOM 0 HA2 GLY A 19 10.337 5.703 -4.486 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.456 7.062 -3.818 1.00 0.00 H new ATOM 301 N THR A 20 9.456 5.283 -1.899 1.00 0.00 N ATOM 302 CA THR A 20 9.046 4.545 -0.717 1.00 0.00 C ATOM 303 C THR A 20 8.251 5.453 0.218 1.00 0.00 C ATOM 304 O THR A 20 8.670 6.571 0.509 1.00 0.00 O ATOM 305 CB THR A 20 10.270 3.981 0.029 1.00 0.00 C ATOM 306 OG1 THR A 20 11.069 3.210 -0.878 1.00 0.00 O ATOM 307 CG2 THR A 20 9.847 3.107 1.201 1.00 0.00 C ATOM 0 H THR A 20 10.256 5.897 -1.749 1.00 0.00 H new ATOM 0 HA THR A 20 8.418 3.713 -1.037 1.00 0.00 H new ATOM 0 HB THR A 20 10.849 4.819 0.419 1.00 0.00 H new ATOM 0 HG1 THR A 20 10.567 2.419 -1.165 1.00 0.00 H new ATOM 0 HG21 THR A 20 10.733 2.724 1.707 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.256 3.698 1.901 1.00 0.00 H new ATOM 0 HG23 THR A 20 9.249 2.273 0.835 1.00 0.00 H new ATOM 315 N TRP A 21 7.104 4.976 0.677 1.00 0.00 N ATOM 316 CA TRP A 21 6.224 5.773 1.518 1.00 0.00 C ATOM 317 C TRP A 21 6.092 5.153 2.905 1.00 0.00 C ATOM 318 O TRP A 21 5.965 3.937 3.035 1.00 0.00 O ATOM 319 CB TRP A 21 4.850 5.886 0.859 1.00 0.00 C ATOM 320 CG TRP A 21 4.907 6.402 -0.545 1.00 0.00 C ATOM 321 CD1 TRP A 21 5.050 5.661 -1.683 1.00 0.00 C ATOM 322 CD2 TRP A 21 4.830 7.767 -0.959 1.00 0.00 C ATOM 323 NE1 TRP A 21 5.069 6.483 -2.782 1.00 0.00 N ATOM 324 CE2 TRP A 21 4.934 7.782 -2.364 1.00 0.00 C ATOM 325 CE3 TRP A 21 4.680 8.980 -0.282 1.00 0.00 C ATOM 326 CZ2 TRP A 21 4.895 8.962 -3.098 1.00 0.00 C ATOM 327 CZ3 TRP A 21 4.641 10.150 -1.013 1.00 0.00 C ATOM 328 CH2 TRP A 21 4.747 10.133 -2.409 1.00 0.00 C ATOM 0 H TRP A 21 6.760 4.036 0.480 1.00 0.00 H new ATOM 0 HA TRP A 21 6.655 6.768 1.631 1.00 0.00 H new ATOM 0 HB2 TRP A 21 4.373 4.906 0.859 1.00 0.00 H new ATOM 0 HB3 TRP A 21 4.222 6.547 1.456 1.00 0.00 H new ATOM 0 HD1 TRP A 21 5.136 4.585 -1.714 1.00 0.00 H new ATOM 0 HE1 TRP A 21 5.167 6.178 -3.750 1.00 0.00 H new ATOM 0 HE3 TRP A 21 4.596 9.002 0.795 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 4.979 8.954 -4.175 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 4.527 11.094 -0.500 1.00 0.00 H new ATOM 0 HH2 TRP A 21 4.711 11.065 -2.953 1.00 0.00 H new ATOM 339 N ASP A 22 6.140 5.991 3.934 1.00 0.00 N ATOM 340 CA ASP A 22 6.025 5.522 5.317 1.00 0.00 C ATOM 341 C ASP A 22 4.620 5.719 5.877 1.00 0.00 C ATOM 342 O ASP A 22 4.064 6.821 5.833 1.00 0.00 O ATOM 343 CB ASP A 22 7.043 6.242 6.210 1.00 0.00 C ATOM 344 CG ASP A 22 6.727 6.131 7.692 1.00 0.00 C ATOM 345 OD1 ASP A 22 6.988 5.069 8.292 1.00 0.00 O ATOM 346 OD2 ASP A 22 6.228 7.126 8.267 1.00 0.00 O ATOM 0 H ASP A 22 6.258 7.000 3.841 1.00 0.00 H new ATOM 0 HA ASP A 22 6.233 4.452 5.311 1.00 0.00 H new ATOM 0 HB2 ASP A 22 8.034 5.829 6.025 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.080 7.295 5.931 1.00 0.00 H new ATOM 351 N GLU A 23 4.057 4.639 6.398 1.00 0.00 N ATOM 352 CA GLU A 23 2.798 4.689 7.118 1.00 0.00 C ATOM 353 C GLU A 23 3.079 4.637 8.609 1.00 0.00 C ATOM 354 O GLU A 23 2.972 3.583 9.237 1.00 0.00 O ATOM 355 CB GLU A 23 1.886 3.522 6.733 1.00 0.00 C ATOM 356 CG GLU A 23 1.499 3.490 5.268 1.00 0.00 C ATOM 357 CD GLU A 23 0.620 2.301 4.940 1.00 0.00 C ATOM 358 OE1 GLU A 23 -0.574 2.314 5.316 1.00 0.00 O ATOM 359 OE2 GLU A 23 1.124 1.342 4.322 1.00 0.00 O ATOM 0 H GLU A 23 4.462 3.705 6.332 1.00 0.00 H new ATOM 0 HA GLU A 23 2.288 5.616 6.856 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.386 2.587 6.985 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.979 3.571 7.335 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.975 4.410 5.011 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.400 3.455 4.656 1.00 0.00 H new ATOM 366 N GLY A 24 3.491 5.769 9.159 1.00 0.00 N ATOM 367 CA GLY A 24 3.801 5.850 10.576 1.00 0.00 C ATOM 368 C GLY A 24 2.574 5.779 11.464 1.00 0.00 C ATOM 369 O GLY A 24 2.685 5.826 12.690 1.00 0.00 O ATOM 0 H GLY A 24 3.618 6.642 8.646 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.479 5.038 10.839 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.329 6.783 10.772 1.00 0.00 H new ATOM 373 N ARG A 25 1.406 5.665 10.854 1.00 0.00 N ATOM 374 CA ARG A 25 0.169 5.566 11.592 1.00 0.00 C ATOM 375 C ARG A 25 -0.443 4.200 11.344 1.00 0.00 C ATOM 376 O ARG A 25 -0.344 3.668 10.238 1.00 0.00 O ATOM 377 CB ARG A 25 -0.795 6.672 11.167 1.00 0.00 C ATOM 378 CG ARG A 25 -1.966 6.874 12.119 1.00 0.00 C ATOM 379 CD ARG A 25 -1.486 7.283 13.505 1.00 0.00 C ATOM 380 NE ARG A 25 -0.658 8.488 13.460 1.00 0.00 N ATOM 381 CZ ARG A 25 0.527 8.606 14.063 1.00 0.00 C ATOM 382 NH1 ARG A 25 1.008 7.606 14.796 1.00 0.00 N ATOM 383 NH2 ARG A 25 1.224 9.727 13.938 1.00 0.00 N ATOM 0 H ARG A 25 1.294 5.639 9.840 1.00 0.00 H new ATOM 0 HA ARG A 25 0.368 5.686 12.657 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.243 7.608 11.083 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.183 6.440 10.175 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -2.633 7.639 11.722 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -2.544 5.953 12.189 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.347 7.457 14.151 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -0.916 6.466 13.948 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.008 9.289 12.934 1.00 0.00 H new ATOM 0 HH11 ARG A 25 0.471 6.745 14.899 1.00 0.00 H new ATOM 0 HH12 ARG A 25 1.914 7.700 15.255 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.855 10.498 13.382 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.130 9.818 14.398 1.00 0.00 H new ATOM 397 N ALA A 26 -1.066 3.663 12.383 1.00 0.00 N ATOM 398 CA ALA A 26 -1.644 2.314 12.374 1.00 0.00 C ATOM 399 C ALA A 26 -0.552 1.245 12.414 1.00 0.00 C ATOM 400 O ALA A 26 0.550 1.445 11.898 1.00 0.00 O ATOM 401 CB ALA A 26 -2.555 2.109 11.168 1.00 0.00 C ATOM 0 H ALA A 26 -1.189 4.152 13.270 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.250 2.213 13.274 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.967 1.100 11.191 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.368 2.834 11.199 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.981 2.246 10.251 1.00 0.00 H new ATOM 407 N PRO A 27 -0.833 0.107 13.066 1.00 0.00 N ATOM 408 CA PRO A 27 0.109 -1.000 13.149 1.00 0.00 C ATOM 409 C PRO A 27 0.045 -1.922 11.932 1.00 0.00 C ATOM 410 O PRO A 27 -0.839 -1.793 11.080 1.00 0.00 O ATOM 411 CB PRO A 27 -0.347 -1.733 14.407 1.00 0.00 C ATOM 412 CG PRO A 27 -1.822 -1.509 14.463 1.00 0.00 C ATOM 413 CD PRO A 27 -2.087 -0.184 13.789 1.00 0.00 C ATOM 0 HA PRO A 27 1.144 -0.661 13.179 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -0.110 -2.796 14.354 1.00 0.00 H new ATOM 0 HB3 PRO A 27 0.147 -1.340 15.295 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -2.355 -2.314 13.957 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -2.172 -1.495 15.495 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.935 -0.246 13.107 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -2.318 0.594 14.516 1.00 0.00 H new ATOM 421 N GLY A 28 0.986 -2.851 11.863 1.00 0.00 N ATOM 422 CA GLY A 28 1.027 -3.796 10.765 1.00 0.00 C ATOM 423 C GLY A 28 0.500 -5.159 11.172 1.00 0.00 C ATOM 424 O GLY A 28 -0.311 -5.252 12.096 1.00 0.00 O ATOM 0 H GLY A 28 1.728 -2.968 12.553 1.00 0.00 H new ATOM 0 HA2 GLY A 28 0.436 -3.412 9.933 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.052 -3.895 10.409 1.00 0.00 H new ATOM 428 N PRO A 29 0.932 -6.223 10.472 1.00 0.00 N ATOM 429 CA PRO A 29 0.614 -7.615 10.805 1.00 0.00 C ATOM 430 C PRO A 29 0.601 -7.899 12.307 1.00 0.00 C ATOM 431 O PRO A 29 1.404 -7.349 13.072 1.00 0.00 O ATOM 432 CB PRO A 29 1.743 -8.382 10.128 1.00 0.00 C ATOM 433 CG PRO A 29 2.059 -7.579 8.916 1.00 0.00 C ATOM 434 CD PRO A 29 1.743 -6.140 9.248 1.00 0.00 C ATOM 0 HA PRO A 29 -0.388 -7.890 10.477 1.00 0.00 H new ATOM 0 HB2 PRO A 29 2.610 -8.473 10.782 1.00 0.00 H new ATOM 0 HB3 PRO A 29 1.435 -9.394 9.865 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.108 -7.691 8.642 1.00 0.00 H new ATOM 0 HG3 PRO A 29 1.469 -7.917 8.064 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.651 -5.560 9.410 1.00 0.00 H new ATOM 0 HD3 PRO A 29 1.196 -5.655 8.439 1.00 0.00 H new ATOM 442 N THR A 30 -0.295 -8.793 12.706 1.00 0.00 N ATOM 443 CA THR A 30 -0.572 -9.055 14.113 1.00 0.00 C ATOM 444 C THR A 30 0.612 -9.706 14.834 1.00 0.00 C ATOM 445 O THR A 30 0.577 -9.898 16.049 1.00 0.00 O ATOM 446 CB THR A 30 -1.829 -9.941 14.249 1.00 0.00 C ATOM 447 OG1 THR A 30 -2.358 -9.875 15.582 1.00 0.00 O ATOM 448 CG2 THR A 30 -1.530 -11.389 13.884 1.00 0.00 C ATOM 0 H THR A 30 -0.851 -9.357 12.063 1.00 0.00 H new ATOM 0 HA THR A 30 -0.747 -8.091 14.591 1.00 0.00 H new ATOM 0 HB THR A 30 -2.574 -9.557 13.552 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.621 -9.891 16.228 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.436 -11.986 13.990 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.181 -11.440 12.853 1.00 0.00 H new ATOM 0 HG23 THR A 30 -0.758 -11.780 14.547 1.00 0.00 H new ATOM 456 N ASP A 31 1.655 -10.045 14.085 1.00 0.00 N ATOM 457 CA ASP A 31 2.872 -10.585 14.685 1.00 0.00 C ATOM 458 C ASP A 31 3.507 -9.553 15.612 1.00 0.00 C ATOM 459 O ASP A 31 4.043 -9.893 16.666 1.00 0.00 O ATOM 460 CB ASP A 31 3.877 -11.010 13.610 1.00 0.00 C ATOM 461 CG ASP A 31 5.152 -11.594 14.204 1.00 0.00 C ATOM 462 OD1 ASP A 31 5.154 -12.793 14.563 1.00 0.00 O ATOM 463 OD2 ASP A 31 6.156 -10.862 14.317 1.00 0.00 O ATOM 0 H ASP A 31 1.684 -9.957 13.069 1.00 0.00 H new ATOM 0 HA ASP A 31 2.598 -11.467 15.264 1.00 0.00 H new ATOM 0 HB2 ASP A 31 3.414 -11.748 12.955 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.129 -10.149 12.992 1.00 0.00 H new ATOM 468 N GLY A 32 3.416 -8.291 15.220 1.00 0.00 N ATOM 469 CA GLY A 32 3.956 -7.223 16.034 1.00 0.00 C ATOM 470 C GLY A 32 4.698 -6.189 15.218 1.00 0.00 C ATOM 471 O GLY A 32 5.854 -5.882 15.500 1.00 0.00 O ATOM 0 H GLY A 32 2.977 -7.987 14.351 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.144 -6.738 16.576 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.630 -7.645 16.779 1.00 0.00 H new ATOM 475 N VAL A 33 4.039 -5.653 14.202 1.00 0.00 N ATOM 476 CA VAL A 33 4.642 -4.622 13.367 1.00 0.00 C ATOM 477 C VAL A 33 4.117 -3.252 13.777 1.00 0.00 C ATOM 478 O VAL A 33 2.912 -3.077 13.973 1.00 0.00 O ATOM 479 CB VAL A 33 4.340 -4.858 11.873 1.00 0.00 C ATOM 480 CG1 VAL A 33 5.148 -3.921 10.997 1.00 0.00 C ATOM 481 CG2 VAL A 33 4.604 -6.306 11.488 1.00 0.00 C ATOM 0 H VAL A 33 3.089 -5.913 13.935 1.00 0.00 H new ATOM 0 HA VAL A 33 5.722 -4.666 13.510 1.00 0.00 H new ATOM 0 HB VAL A 33 3.283 -4.646 11.712 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.914 -4.110 9.949 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.900 -2.888 11.243 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.211 -4.090 11.168 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.384 -6.447 10.430 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.650 -6.548 11.676 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.968 -6.962 12.082 1.00 0.00 H new ATOM 491 N LYS A 34 5.012 -2.285 13.907 1.00 0.00 N ATOM 492 CA LYS A 34 4.632 -0.953 14.352 1.00 0.00 C ATOM 493 C LYS A 34 4.014 -0.143 13.230 1.00 0.00 C ATOM 494 O LYS A 34 3.057 0.598 13.436 1.00 0.00 O ATOM 495 CB LYS A 34 5.839 -0.191 14.891 1.00 0.00 C ATOM 496 CG LYS A 34 6.270 -0.602 16.282 1.00 0.00 C ATOM 497 CD LYS A 34 7.317 0.355 16.822 1.00 0.00 C ATOM 498 CE LYS A 34 7.722 0.006 18.240 1.00 0.00 C ATOM 499 NZ LYS A 34 8.638 1.029 18.810 1.00 0.00 N ATOM 0 H LYS A 34 6.007 -2.398 13.711 1.00 0.00 H new ATOM 0 HA LYS A 34 3.895 -1.088 15.144 1.00 0.00 H new ATOM 0 HB2 LYS A 34 6.677 -0.332 14.208 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.608 0.874 14.896 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.406 -0.617 16.947 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.672 -1.615 16.259 1.00 0.00 H new ATOM 0 HD2 LYS A 34 8.196 0.333 16.177 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.927 1.373 16.796 1.00 0.00 H new ATOM 0 HE2 LYS A 34 6.832 -0.076 18.864 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.210 -0.968 18.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 8.897 0.761 19.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 9.497 1.089 18.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 8.162 1.954 18.821 1.00 0.00 H new ATOM 513 N SER A 35 4.579 -0.287 12.048 1.00 0.00 N ATOM 514 CA SER A 35 4.223 0.556 10.915 1.00 0.00 C ATOM 515 C SER A 35 4.625 -0.120 9.615 1.00 0.00 C ATOM 516 O SER A 35 5.404 -1.077 9.619 1.00 0.00 O ATOM 517 CB SER A 35 4.915 1.922 11.026 1.00 0.00 C ATOM 518 OG SER A 35 4.597 2.573 12.248 1.00 0.00 O ATOM 0 H SER A 35 5.293 -0.985 11.842 1.00 0.00 H new ATOM 0 HA SER A 35 3.143 0.707 10.921 1.00 0.00 H new ATOM 0 HB2 SER A 35 5.995 1.790 10.954 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.614 2.552 10.189 1.00 0.00 H new ATOM 0 HG SER A 35 5.055 3.438 12.286 1.00 0.00 H new ATOM 524 N ALA A 36 4.118 0.387 8.506 1.00 0.00 N ATOM 525 CA ALA A 36 4.406 -0.195 7.211 1.00 0.00 C ATOM 526 C ALA A 36 5.032 0.832 6.285 1.00 0.00 C ATOM 527 O ALA A 36 4.821 2.032 6.438 1.00 0.00 O ATOM 528 CB ALA A 36 3.136 -0.763 6.593 1.00 0.00 C ATOM 0 H ALA A 36 3.504 1.201 8.478 1.00 0.00 H new ATOM 0 HA ALA A 36 5.120 -1.006 7.351 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.367 -1.197 5.620 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.727 -1.534 7.246 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.403 0.035 6.469 1.00 0.00 H new ATOM 534 N THR A 37 5.829 0.352 5.350 1.00 0.00 N ATOM 535 CA THR A 37 6.423 1.198 4.333 1.00 0.00 C ATOM 536 C THR A 37 6.222 0.560 2.967 1.00 0.00 C ATOM 537 O THR A 37 6.551 -0.609 2.759 1.00 0.00 O ATOM 538 CB THR A 37 7.925 1.441 4.591 1.00 0.00 C ATOM 539 OG1 THR A 37 8.573 0.208 4.930 1.00 0.00 O ATOM 540 CG2 THR A 37 8.133 2.450 5.713 1.00 0.00 C ATOM 0 H THR A 37 6.083 -0.633 5.274 1.00 0.00 H new ATOM 0 HA THR A 37 5.928 2.168 4.367 1.00 0.00 H new ATOM 0 HB THR A 37 8.361 1.844 3.677 1.00 0.00 H new ATOM 0 HG1 THR A 37 7.933 -0.530 4.853 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.201 2.602 5.873 1.00 0.00 H new ATOM 0 HG22 THR A 37 7.669 3.398 5.441 1.00 0.00 H new ATOM 0 HG23 THR A 37 7.679 2.074 6.630 1.00 0.00 H new ATOM 548 N VAL A 38 5.671 1.317 2.046 1.00 0.00 N ATOM 549 CA VAL A 38 5.301 0.773 0.750 1.00 0.00 C ATOM 550 C VAL A 38 6.112 1.417 -0.372 1.00 0.00 C ATOM 551 O VAL A 38 6.340 2.624 -0.378 1.00 0.00 O ATOM 552 CB VAL A 38 3.784 0.943 0.481 1.00 0.00 C ATOM 553 CG1 VAL A 38 3.381 2.410 0.503 1.00 0.00 C ATOM 554 CG2 VAL A 38 3.388 0.291 -0.836 1.00 0.00 C ATOM 0 H VAL A 38 5.468 2.309 2.165 1.00 0.00 H new ATOM 0 HA VAL A 38 5.528 -0.293 0.770 1.00 0.00 H new ATOM 0 HB VAL A 38 3.246 0.438 1.284 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.312 2.496 0.311 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.610 2.836 1.480 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.932 2.950 -0.266 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.319 0.424 -1.001 1.00 0.00 H new ATOM 0 HG22 VAL A 38 3.942 0.754 -1.652 1.00 0.00 H new ATOM 0 HG23 VAL A 38 3.619 -0.774 -0.799 1.00 0.00 H new ATOM 564 N THR A 39 6.571 0.595 -1.300 1.00 0.00 N ATOM 565 CA THR A 39 7.273 1.082 -2.473 1.00 0.00 C ATOM 566 C THR A 39 6.544 0.629 -3.731 1.00 0.00 C ATOM 567 O THR A 39 6.287 -0.566 -3.915 1.00 0.00 O ATOM 568 CB THR A 39 8.729 0.578 -2.500 1.00 0.00 C ATOM 569 OG1 THR A 39 9.391 0.934 -1.279 1.00 0.00 O ATOM 570 CG2 THR A 39 9.489 1.168 -3.678 1.00 0.00 C ATOM 0 H THR A 39 6.469 -0.419 -1.262 1.00 0.00 H new ATOM 0 HA THR A 39 7.293 2.171 -2.433 1.00 0.00 H new ATOM 0 HB THR A 39 8.710 -0.507 -2.607 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.283 0.528 -1.260 1.00 0.00 H new ATOM 0 HG21 THR A 39 10.514 0.796 -3.673 1.00 0.00 H new ATOM 0 HG22 THR A 39 9.001 0.877 -4.608 1.00 0.00 H new ATOM 0 HG23 THR A 39 9.497 2.255 -3.598 1.00 0.00 H new ATOM 578 N PHE A 40 6.204 1.574 -4.591 1.00 0.00 N ATOM 579 CA PHE A 40 5.460 1.251 -5.798 1.00 0.00 C ATOM 580 C PHE A 40 6.391 1.196 -6.993 1.00 0.00 C ATOM 581 O PHE A 40 7.022 2.192 -7.349 1.00 0.00 O ATOM 582 CB PHE A 40 4.361 2.290 -6.053 1.00 0.00 C ATOM 583 CG PHE A 40 3.293 2.333 -4.994 1.00 0.00 C ATOM 584 CD1 PHE A 40 2.272 1.394 -4.979 1.00 0.00 C ATOM 585 CD2 PHE A 40 3.310 3.313 -4.015 1.00 0.00 C ATOM 586 CE1 PHE A 40 1.285 1.434 -4.011 1.00 0.00 C ATOM 587 CE2 PHE A 40 2.326 3.360 -3.045 1.00 0.00 C ATOM 588 CZ PHE A 40 1.313 2.417 -3.041 1.00 0.00 C ATOM 0 H PHE A 40 6.428 2.563 -4.479 1.00 0.00 H new ATOM 0 HA PHE A 40 4.997 0.274 -5.657 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.820 3.276 -6.130 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.894 2.079 -7.015 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.248 0.621 -5.733 1.00 0.00 H new ATOM 0 HD2 PHE A 40 4.101 4.049 -4.009 1.00 0.00 H new ATOM 0 HE1 PHE A 40 0.494 0.698 -4.014 1.00 0.00 H new ATOM 0 HE2 PHE A 40 2.348 4.132 -2.291 1.00 0.00 H new ATOM 0 HZ PHE A 40 0.546 2.450 -2.281 1.00 0.00 H new ATOM 598 N THR A 41 6.498 0.018 -7.583 1.00 0.00 N ATOM 599 CA THR A 41 7.244 -0.160 -8.807 1.00 0.00 C ATOM 600 C THR A 41 6.263 -0.309 -9.973 1.00 0.00 C ATOM 601 O THR A 41 5.060 -0.451 -9.757 1.00 0.00 O ATOM 602 CB THR A 41 8.170 -1.387 -8.706 1.00 0.00 C ATOM 603 OG1 THR A 41 8.601 -1.545 -7.346 1.00 0.00 O ATOM 604 CG2 THR A 41 9.396 -1.228 -9.595 1.00 0.00 C ATOM 0 H THR A 41 6.070 -0.836 -7.225 1.00 0.00 H new ATOM 0 HA THR A 41 7.874 0.713 -8.978 1.00 0.00 H new ATOM 0 HB THR A 41 7.611 -2.263 -9.036 1.00 0.00 H new ATOM 0 HG1 THR A 41 9.189 -2.326 -7.278 1.00 0.00 H new ATOM 0 HG21 THR A 41 10.030 -2.110 -9.502 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.081 -1.116 -10.632 1.00 0.00 H new ATOM 0 HG23 THR A 41 9.956 -0.345 -9.288 1.00 0.00 H new ATOM 612 N GLU A 42 6.770 -0.280 -11.194 1.00 0.00 N ATOM 613 CA GLU A 42 5.925 -0.332 -12.383 1.00 0.00 C ATOM 614 C GLU A 42 5.111 -1.630 -12.451 1.00 0.00 C ATOM 615 O GLU A 42 3.904 -1.608 -12.708 1.00 0.00 O ATOM 616 CB GLU A 42 6.798 -0.195 -13.630 1.00 0.00 C ATOM 617 CG GLU A 42 6.021 0.013 -14.915 1.00 0.00 C ATOM 618 CD GLU A 42 6.933 0.228 -16.103 1.00 0.00 C ATOM 619 OE1 GLU A 42 7.462 1.348 -16.260 1.00 0.00 O ATOM 620 OE2 GLU A 42 7.124 -0.720 -16.888 1.00 0.00 O ATOM 0 H GLU A 42 7.769 -0.220 -11.392 1.00 0.00 H new ATOM 0 HA GLU A 42 5.216 0.494 -12.331 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.480 0.644 -13.492 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.411 -1.091 -13.731 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.386 -0.854 -15.098 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.362 0.874 -14.804 1.00 0.00 H new ATOM 627 N ASP A 43 5.766 -2.755 -12.199 1.00 0.00 N ATOM 628 CA ASP A 43 5.129 -4.061 -12.362 1.00 0.00 C ATOM 629 C ASP A 43 4.655 -4.631 -11.034 1.00 0.00 C ATOM 630 O ASP A 43 3.948 -5.642 -11.008 1.00 0.00 O ATOM 631 CB ASP A 43 6.099 -5.072 -12.994 1.00 0.00 C ATOM 632 CG ASP A 43 6.618 -4.655 -14.355 1.00 0.00 C ATOM 633 OD1 ASP A 43 7.664 -3.969 -14.411 1.00 0.00 O ATOM 634 OD2 ASP A 43 6.007 -5.040 -15.370 1.00 0.00 O ATOM 0 H ASP A 43 6.735 -2.793 -11.882 1.00 0.00 H new ATOM 0 HA ASP A 43 4.270 -3.903 -13.014 1.00 0.00 H new ATOM 0 HB2 ASP A 43 6.945 -5.218 -12.322 1.00 0.00 H new ATOM 0 HB3 ASP A 43 5.596 -6.034 -13.087 1.00 0.00 H new ATOM 639 N GLU A 44 5.034 -3.997 -9.932 1.00 0.00 N ATOM 640 CA GLU A 44 4.867 -4.624 -8.629 1.00 0.00 C ATOM 641 C GLU A 44 4.807 -3.617 -7.482 1.00 0.00 C ATOM 642 O GLU A 44 5.423 -2.552 -7.532 1.00 0.00 O ATOM 643 CB GLU A 44 6.031 -5.591 -8.411 1.00 0.00 C ATOM 644 CG GLU A 44 7.393 -4.911 -8.465 1.00 0.00 C ATOM 645 CD GLU A 44 8.477 -5.809 -9.020 1.00 0.00 C ATOM 646 OE1 GLU A 44 9.114 -6.539 -8.240 1.00 0.00 O ATOM 647 OE2 GLU A 44 8.700 -5.783 -10.252 1.00 0.00 O ATOM 0 H GLU A 44 5.451 -3.067 -9.913 1.00 0.00 H new ATOM 0 HA GLU A 44 3.911 -5.147 -8.627 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.914 -6.079 -7.443 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.992 -6.373 -9.169 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.321 -4.014 -9.080 1.00 0.00 H new ATOM 0 HG3 GLU A 44 7.673 -4.589 -7.462 1.00 0.00 H new ATOM 654 N VAL A 45 4.047 -3.969 -6.457 1.00 0.00 N ATOM 655 CA VAL A 45 4.044 -3.237 -5.203 1.00 0.00 C ATOM 656 C VAL A 45 4.879 -4.001 -4.186 1.00 0.00 C ATOM 657 O VAL A 45 4.569 -5.148 -3.861 1.00 0.00 O ATOM 658 CB VAL A 45 2.612 -3.048 -4.643 1.00 0.00 C ATOM 659 CG1 VAL A 45 2.640 -2.364 -3.285 1.00 0.00 C ATOM 660 CG2 VAL A 45 1.754 -2.259 -5.616 1.00 0.00 C ATOM 0 H VAL A 45 3.416 -4.770 -6.472 1.00 0.00 H new ATOM 0 HA VAL A 45 4.462 -2.248 -5.389 1.00 0.00 H new ATOM 0 HB VAL A 45 2.171 -4.037 -4.515 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.621 -2.245 -2.917 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.211 -2.972 -2.583 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.108 -1.384 -3.381 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.753 -2.138 -5.203 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.199 -1.278 -5.781 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.693 -2.794 -6.564 1.00 0.00 H new ATOM 670 N VAL A 46 5.941 -3.378 -3.702 1.00 0.00 N ATOM 671 CA VAL A 46 6.823 -4.021 -2.740 1.00 0.00 C ATOM 672 C VAL A 46 6.531 -3.520 -1.333 1.00 0.00 C ATOM 673 O VAL A 46 6.552 -2.313 -1.077 1.00 0.00 O ATOM 674 CB VAL A 46 8.309 -3.773 -3.075 1.00 0.00 C ATOM 675 CG1 VAL A 46 9.216 -4.465 -2.067 1.00 0.00 C ATOM 676 CG2 VAL A 46 8.625 -4.241 -4.486 1.00 0.00 C ATOM 0 H VAL A 46 6.214 -2.429 -3.959 1.00 0.00 H new ATOM 0 HA VAL A 46 6.633 -5.093 -2.793 1.00 0.00 H new ATOM 0 HB VAL A 46 8.494 -2.700 -3.018 1.00 0.00 H new ATOM 0 HG11 VAL A 46 10.258 -4.275 -2.325 1.00 0.00 H new ATOM 0 HG12 VAL A 46 9.013 -4.078 -1.069 1.00 0.00 H new ATOM 0 HG13 VAL A 46 9.028 -5.538 -2.085 1.00 0.00 H new ATOM 0 HG21 VAL A 46 9.677 -4.058 -4.703 1.00 0.00 H new ATOM 0 HG22 VAL A 46 8.418 -5.308 -4.571 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.007 -3.694 -5.198 1.00 0.00 H new ATOM 686 N GLU A 47 6.247 -4.448 -0.430 1.00 0.00 N ATOM 687 CA GLU A 47 5.970 -4.101 0.952 1.00 0.00 C ATOM 688 C GLU A 47 7.196 -4.256 1.818 1.00 0.00 C ATOM 689 O GLU A 47 7.951 -5.222 1.701 1.00 0.00 O ATOM 690 CB GLU A 47 4.848 -4.951 1.532 1.00 0.00 C ATOM 691 CG GLU A 47 3.480 -4.333 1.365 1.00 0.00 C ATOM 692 CD GLU A 47 2.372 -5.244 1.852 1.00 0.00 C ATOM 693 OE1 GLU A 47 1.966 -6.155 1.097 1.00 0.00 O ATOM 694 OE2 GLU A 47 1.905 -5.060 2.998 1.00 0.00 O ATOM 0 H GLU A 47 6.203 -5.447 -0.632 1.00 0.00 H new ATOM 0 HA GLU A 47 5.661 -3.056 0.949 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.858 -5.929 1.052 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.038 -5.115 2.593 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.440 -3.392 1.913 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.317 -4.097 0.313 1.00 0.00 H new ATOM 701 N THR A 48 7.388 -3.279 2.667 1.00 0.00 N ATOM 702 CA THR A 48 8.408 -3.332 3.696 1.00 0.00 C ATOM 703 C THR A 48 7.763 -3.007 5.032 1.00 0.00 C ATOM 704 O THR A 48 7.023 -2.032 5.151 1.00 0.00 O ATOM 705 CB THR A 48 9.551 -2.341 3.430 1.00 0.00 C ATOM 706 OG1 THR A 48 9.833 -2.292 2.024 1.00 0.00 O ATOM 707 CG2 THR A 48 10.807 -2.755 4.183 1.00 0.00 C ATOM 0 H THR A 48 6.841 -2.418 2.668 1.00 0.00 H new ATOM 0 HA THR A 48 8.838 -4.334 3.700 1.00 0.00 H new ATOM 0 HB THR A 48 9.241 -1.356 3.778 1.00 0.00 H new ATOM 0 HG1 THR A 48 10.561 -1.658 1.858 1.00 0.00 H new ATOM 0 HG21 THR A 48 11.605 -2.040 3.981 1.00 0.00 H new ATOM 0 HG22 THR A 48 10.600 -2.775 5.253 1.00 0.00 H new ATOM 0 HG23 THR A 48 11.117 -3.747 3.855 1.00 0.00 H new ATOM 715 N GLU A 49 8.024 -3.814 6.026 1.00 0.00 N ATOM 716 CA GLU A 49 7.368 -3.653 7.310 1.00 0.00 C ATOM 717 C GLU A 49 8.395 -3.418 8.408 1.00 0.00 C ATOM 718 O GLU A 49 9.432 -4.077 8.452 1.00 0.00 O ATOM 719 CB GLU A 49 6.513 -4.883 7.612 1.00 0.00 C ATOM 720 CG GLU A 49 5.624 -5.278 6.441 1.00 0.00 C ATOM 721 CD GLU A 49 4.620 -6.353 6.781 1.00 0.00 C ATOM 722 OE1 GLU A 49 5.030 -7.426 7.267 1.00 0.00 O ATOM 723 OE2 GLU A 49 3.412 -6.120 6.558 1.00 0.00 O ATOM 0 H GLU A 49 8.684 -4.590 5.978 1.00 0.00 H new ATOM 0 HA GLU A 49 6.717 -2.780 7.271 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.163 -5.719 7.868 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.891 -4.684 8.485 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.092 -4.395 6.085 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.251 -5.625 5.620 1.00 0.00 H new ATOM 730 N VAL A 50 8.109 -2.460 9.277 1.00 0.00 N ATOM 731 CA VAL A 50 9.037 -2.097 10.337 1.00 0.00 C ATOM 732 C VAL A 50 8.676 -2.807 11.635 1.00 0.00 C ATOM 733 O VAL A 50 7.624 -2.549 12.234 1.00 0.00 O ATOM 734 CB VAL A 50 9.051 -0.570 10.573 1.00 0.00 C ATOM 735 CG1 VAL A 50 10.087 -0.189 11.622 1.00 0.00 C ATOM 736 CG2 VAL A 50 9.310 0.170 9.271 1.00 0.00 C ATOM 0 H VAL A 50 7.243 -1.921 9.269 1.00 0.00 H new ATOM 0 HA VAL A 50 10.032 -2.410 10.019 1.00 0.00 H new ATOM 0 HB VAL A 50 8.070 -0.277 10.947 1.00 0.00 H new ATOM 0 HG11 VAL A 50 10.076 0.891 11.769 1.00 0.00 H new ATOM 0 HG12 VAL A 50 9.851 -0.686 12.563 1.00 0.00 H new ATOM 0 HG13 VAL A 50 11.076 -0.499 11.286 1.00 0.00 H new ATOM 0 HG21 VAL A 50 9.316 1.244 9.458 1.00 0.00 H new ATOM 0 HG22 VAL A 50 10.275 -0.133 8.866 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.524 -0.069 8.554 1.00 0.00 H new ATOM 746 N MET A 51 9.553 -3.699 12.063 1.00 0.00 N ATOM 747 CA MET A 51 9.340 -4.457 13.282 1.00 0.00 C ATOM 748 C MET A 51 10.472 -4.168 14.262 1.00 0.00 C ATOM 749 O MET A 51 11.648 -4.311 13.920 1.00 0.00 O ATOM 750 CB MET A 51 9.283 -5.949 12.954 1.00 0.00 C ATOM 751 CG MET A 51 8.571 -6.800 13.996 1.00 0.00 C ATOM 752 SD MET A 51 9.493 -6.959 15.535 1.00 0.00 S ATOM 753 CE MET A 51 8.443 -8.093 16.442 1.00 0.00 C ATOM 0 H MET A 51 10.425 -3.916 11.580 1.00 0.00 H new ATOM 0 HA MET A 51 8.395 -4.164 13.739 1.00 0.00 H new ATOM 0 HB2 MET A 51 8.782 -6.078 11.995 1.00 0.00 H new ATOM 0 HB3 MET A 51 10.301 -6.320 12.834 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.596 -6.362 14.208 1.00 0.00 H new ATOM 0 HG3 MET A 51 8.392 -7.793 13.584 1.00 0.00 H new ATOM 0 HE1 MET A 51 8.881 -8.291 17.420 1.00 0.00 H new ATOM 0 HE2 MET A 51 7.455 -7.651 16.569 1.00 0.00 H new ATOM 0 HE3 MET A 51 8.354 -9.028 15.889 1.00 0.00 H new ATOM 763 N GLU A 52 10.113 -3.777 15.472 1.00 0.00 N ATOM 764 CA GLU A 52 11.088 -3.346 16.466 1.00 0.00 C ATOM 765 C GLU A 52 11.830 -4.551 17.045 1.00 0.00 C ATOM 766 O GLU A 52 11.276 -5.332 17.826 1.00 0.00 O ATOM 767 CB GLU A 52 10.380 -2.551 17.568 1.00 0.00 C ATOM 768 CG GLU A 52 11.255 -1.510 18.257 1.00 0.00 C ATOM 769 CD GLU A 52 12.297 -2.114 19.177 1.00 0.00 C ATOM 770 OE1 GLU A 52 11.953 -2.442 20.329 1.00 0.00 O ATOM 771 OE2 GLU A 52 13.463 -2.251 18.761 1.00 0.00 O ATOM 0 H GLU A 52 9.146 -3.748 15.795 1.00 0.00 H new ATOM 0 HA GLU A 52 11.826 -2.700 15.991 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.512 -2.051 17.138 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.006 -3.248 18.319 1.00 0.00 H new ATOM 0 HG2 GLU A 52 11.756 -0.908 17.499 1.00 0.00 H new ATOM 0 HG3 GLU A 52 10.620 -0.836 18.832 1.00 0.00 H new ATOM 778 N GLY A 53 13.084 -4.694 16.646 1.00 0.00 N ATOM 779 CA GLY A 53 13.884 -5.825 17.058 1.00 0.00 C ATOM 780 C GLY A 53 14.430 -6.567 15.859 1.00 0.00 C ATOM 781 O GLY A 53 15.459 -7.242 15.937 1.00 0.00 O ATOM 0 H GLY A 53 13.567 -4.035 16.035 1.00 0.00 H new ATOM 0 HA2 GLY A 53 14.708 -5.483 17.685 1.00 0.00 H new ATOM 0 HA3 GLY A 53 13.281 -6.500 17.664 1.00 0.00 H new ATOM 785 N ARG A 54 13.728 -6.434 14.742 1.00 0.00 N ATOM 786 CA ARG A 54 14.135 -7.047 13.490 1.00 0.00 C ATOM 787 C ARG A 54 14.721 -5.991 12.568 1.00 0.00 C ATOM 788 O ARG A 54 15.881 -6.056 12.157 1.00 0.00 O ATOM 789 CB ARG A 54 12.924 -7.658 12.794 1.00 0.00 C ATOM 790 CG ARG A 54 11.996 -8.423 13.711 1.00 0.00 C ATOM 791 CD ARG A 54 12.445 -9.858 13.923 1.00 0.00 C ATOM 792 NE ARG A 54 11.434 -10.636 14.638 1.00 0.00 N ATOM 793 CZ ARG A 54 11.710 -11.578 15.540 1.00 0.00 C ATOM 794 NH1 ARG A 54 12.970 -11.899 15.814 1.00 0.00 N ATOM 795 NH2 ARG A 54 10.722 -12.211 16.158 1.00 0.00 N ATOM 0 H ARG A 54 12.862 -5.899 14.681 1.00 0.00 H new ATOM 0 HA ARG A 54 14.876 -7.817 13.706 1.00 0.00 H new ATOM 0 HB2 ARG A 54 12.360 -6.862 12.308 1.00 0.00 H new ATOM 0 HB3 ARG A 54 13.272 -8.328 12.008 1.00 0.00 H new ATOM 0 HG2 ARG A 54 11.942 -7.916 14.674 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.990 -8.418 13.292 1.00 0.00 H new ATOM 0 HD2 ARG A 54 12.648 -10.323 12.958 1.00 0.00 H new ATOM 0 HD3 ARG A 54 13.379 -9.869 14.485 1.00 0.00 H new ATOM 0 HE ARG A 54 10.453 -10.445 14.433 1.00 0.00 H new ATOM 0 HH11 ARG A 54 13.734 -11.424 15.333 1.00 0.00 H new ATOM 0 HH12 ARG A 54 13.174 -12.621 16.505 1.00 0.00 H new ATOM 0 HH21 ARG A 54 9.753 -11.977 15.943 1.00 0.00 H new ATOM 0 HH22 ARG A 54 10.931 -12.932 16.848 1.00 0.00 H new ATOM 809 N GLY A 55 13.882 -5.016 12.266 1.00 0.00 N ATOM 810 CA GLY A 55 14.203 -4.009 11.284 1.00 0.00 C ATOM 811 C GLY A 55 13.178 -4.023 10.176 1.00 0.00 C ATOM 812 O GLY A 55 12.107 -4.616 10.338 1.00 0.00 O ATOM 0 H GLY A 55 12.964 -4.905 12.696 1.00 0.00 H new ATOM 0 HA2 GLY A 55 14.229 -3.026 11.754 1.00 0.00 H new ATOM 0 HA3 GLY A 55 15.196 -4.193 10.874 1.00 0.00 H new ATOM 816 N GLU A 56 13.473 -3.361 9.069 1.00 0.00 N ATOM 817 CA GLU A 56 12.613 -3.413 7.911 1.00 0.00 C ATOM 818 C GLU A 56 12.687 -4.764 7.226 1.00 0.00 C ATOM 819 O GLU A 56 13.765 -5.256 6.887 1.00 0.00 O ATOM 820 CB GLU A 56 12.980 -2.314 6.922 1.00 0.00 C ATOM 821 CG GLU A 56 12.658 -0.916 7.410 1.00 0.00 C ATOM 822 CD GLU A 56 13.639 -0.385 8.437 1.00 0.00 C ATOM 823 OE1 GLU A 56 14.637 0.248 8.031 1.00 0.00 O ATOM 824 OE2 GLU A 56 13.416 -0.577 9.646 1.00 0.00 O ATOM 0 H GLU A 56 14.305 -2.782 8.954 1.00 0.00 H new ATOM 0 HA GLU A 56 11.591 -3.259 8.256 1.00 0.00 H new ATOM 0 HB2 GLU A 56 14.046 -2.376 6.705 1.00 0.00 H new ATOM 0 HB3 GLU A 56 12.453 -2.491 5.985 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.638 -0.239 6.556 1.00 0.00 H new ATOM 0 HG3 GLU A 56 11.657 -0.914 7.842 1.00 0.00 H new ATOM 831 N VAL A 57 11.522 -5.346 7.028 1.00 0.00 N ATOM 832 CA VAL A 57 11.396 -6.642 6.385 1.00 0.00 C ATOM 833 C VAL A 57 10.582 -6.509 5.103 1.00 0.00 C ATOM 834 O VAL A 57 9.454 -6.023 5.130 1.00 0.00 O ATOM 835 CB VAL A 57 10.715 -7.654 7.331 1.00 0.00 C ATOM 836 CG1 VAL A 57 10.456 -8.982 6.628 1.00 0.00 C ATOM 837 CG2 VAL A 57 11.562 -7.871 8.578 1.00 0.00 C ATOM 0 H VAL A 57 10.632 -4.934 7.309 1.00 0.00 H new ATOM 0 HA VAL A 57 12.395 -7.006 6.144 1.00 0.00 H new ATOM 0 HB VAL A 57 9.752 -7.238 7.628 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.976 -9.673 7.321 1.00 0.00 H new ATOM 0 HG12 VAL A 57 9.805 -8.818 5.769 1.00 0.00 H new ATOM 0 HG13 VAL A 57 11.402 -9.406 6.291 1.00 0.00 H new ATOM 0 HG21 VAL A 57 11.067 -8.587 9.234 1.00 0.00 H new ATOM 0 HG22 VAL A 57 12.540 -8.257 8.291 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.686 -6.924 9.103 1.00 0.00 H new ATOM 847 N GLN A 58 11.163 -6.910 3.984 1.00 0.00 N ATOM 848 CA GLN A 58 10.492 -6.815 2.707 1.00 0.00 C ATOM 849 C GLN A 58 9.773 -8.111 2.363 1.00 0.00 C ATOM 850 O GLN A 58 10.368 -9.190 2.384 1.00 0.00 O ATOM 851 CB GLN A 58 11.506 -6.465 1.630 1.00 0.00 C ATOM 852 CG GLN A 58 12.224 -5.156 1.905 1.00 0.00 C ATOM 853 CD GLN A 58 13.089 -4.691 0.751 1.00 0.00 C ATOM 854 OE1 GLN A 58 13.640 -5.494 -0.003 1.00 0.00 O ATOM 855 NE2 GLN A 58 13.213 -3.382 0.603 1.00 0.00 N ATOM 0 H GLN A 58 12.102 -7.305 3.939 1.00 0.00 H new ATOM 0 HA GLN A 58 9.739 -6.029 2.766 1.00 0.00 H new ATOM 0 HB2 GLN A 58 12.239 -7.268 1.553 1.00 0.00 H new ATOM 0 HB3 GLN A 58 11.000 -6.402 0.667 1.00 0.00 H new ATOM 0 HG2 GLN A 58 11.486 -4.386 2.130 1.00 0.00 H new ATOM 0 HG3 GLN A 58 12.846 -5.271 2.793 1.00 0.00 H new ATOM 0 HE21 GLN A 58 12.741 -2.749 1.248 1.00 0.00 H new ATOM 0 HE22 GLN A 58 13.781 -3.006 -0.156 1.00 0.00 H new ATOM 864 N LEU A 59 8.491 -7.991 2.057 1.00 0.00 N ATOM 865 CA LEU A 59 7.671 -9.138 1.696 1.00 0.00 C ATOM 866 C LEU A 59 7.609 -9.288 0.182 1.00 0.00 C ATOM 867 O LEU A 59 7.918 -8.344 -0.547 1.00 0.00 O ATOM 868 CB LEU A 59 6.254 -8.979 2.256 1.00 0.00 C ATOM 869 CG LEU A 59 6.141 -9.044 3.778 1.00 0.00 C ATOM 870 CD1 LEU A 59 4.696 -8.872 4.213 1.00 0.00 C ATOM 871 CD2 LEU A 59 6.700 -10.359 4.302 1.00 0.00 C ATOM 0 H LEU A 59 7.991 -7.102 2.051 1.00 0.00 H new ATOM 0 HA LEU A 59 8.124 -10.032 2.125 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.853 -8.023 1.919 1.00 0.00 H new ATOM 0 HB3 LEU A 59 5.623 -9.758 1.828 1.00 0.00 H new ATOM 0 HG LEU A 59 6.729 -8.228 4.199 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.635 -8.921 5.300 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.326 -7.905 3.872 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.088 -9.666 3.779 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.610 -10.386 5.388 1.00 0.00 H new ATOM 0 HD22 LEU A 59 6.141 -11.190 3.871 1.00 0.00 H new ATOM 0 HD23 LEU A 59 7.750 -10.445 4.023 1.00 0.00 H new ATOM 883 N PRO A 60 7.221 -10.483 -0.308 1.00 0.00 N ATOM 884 CA PRO A 60 7.028 -10.732 -1.742 1.00 0.00 C ATOM 885 C PRO A 60 6.139 -9.675 -2.393 1.00 0.00 C ATOM 886 O PRO A 60 5.113 -9.280 -1.833 1.00 0.00 O ATOM 887 CB PRO A 60 6.345 -12.102 -1.776 1.00 0.00 C ATOM 888 CG PRO A 60 6.790 -12.778 -0.524 1.00 0.00 C ATOM 889 CD PRO A 60 6.961 -11.690 0.501 1.00 0.00 C ATOM 0 HA PRO A 60 7.967 -10.698 -2.295 1.00 0.00 H new ATOM 0 HB2 PRO A 60 5.260 -12.003 -1.808 1.00 0.00 H new ATOM 0 HB3 PRO A 60 6.640 -12.670 -2.659 1.00 0.00 H new ATOM 0 HG2 PRO A 60 6.054 -13.511 -0.195 1.00 0.00 H new ATOM 0 HG3 PRO A 60 7.726 -13.314 -0.682 1.00 0.00 H new ATOM 0 HD2 PRO A 60 6.068 -11.575 1.115 1.00 0.00 H new ATOM 0 HD3 PRO A 60 7.788 -11.904 1.178 1.00 0.00 H new ATOM 897 N PHE A 61 6.534 -9.225 -3.574 1.00 0.00 N ATOM 898 CA PHE A 61 5.843 -8.141 -4.256 1.00 0.00 C ATOM 899 C PHE A 61 4.490 -8.589 -4.799 1.00 0.00 C ATOM 900 O PHE A 61 4.276 -9.767 -5.094 1.00 0.00 O ATOM 901 CB PHE A 61 6.716 -7.585 -5.386 1.00 0.00 C ATOM 902 CG PHE A 61 7.173 -8.621 -6.378 1.00 0.00 C ATOM 903 CD1 PHE A 61 6.387 -8.952 -7.473 1.00 0.00 C ATOM 904 CD2 PHE A 61 8.392 -9.264 -6.217 1.00 0.00 C ATOM 905 CE1 PHE A 61 6.809 -9.897 -8.387 1.00 0.00 C ATOM 906 CE2 PHE A 61 8.817 -10.210 -7.127 1.00 0.00 C ATOM 907 CZ PHE A 61 8.025 -10.528 -8.211 1.00 0.00 C ATOM 0 H PHE A 61 7.336 -9.597 -4.083 1.00 0.00 H new ATOM 0 HA PHE A 61 5.659 -7.352 -3.527 1.00 0.00 H new ATOM 0 HB2 PHE A 61 6.158 -6.813 -5.915 1.00 0.00 H new ATOM 0 HB3 PHE A 61 7.592 -7.104 -4.951 1.00 0.00 H new ATOM 0 HD1 PHE A 61 5.433 -8.464 -7.612 1.00 0.00 H new ATOM 0 HD2 PHE A 61 9.016 -9.021 -5.369 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.190 -10.142 -9.237 1.00 0.00 H new ATOM 0 HE2 PHE A 61 9.769 -10.701 -6.991 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.356 -11.270 -8.922 1.00 0.00 H new ATOM 917 N MET A 62 3.577 -7.641 -4.912 1.00 0.00 N ATOM 918 CA MET A 62 2.254 -7.903 -5.458 1.00 0.00 C ATOM 919 C MET A 62 2.080 -7.209 -6.797 1.00 0.00 C ATOM 920 O MET A 62 2.529 -6.080 -6.977 1.00 0.00 O ATOM 921 CB MET A 62 1.174 -7.417 -4.497 1.00 0.00 C ATOM 922 CG MET A 62 0.991 -8.302 -3.273 1.00 0.00 C ATOM 923 SD MET A 62 -0.300 -7.699 -2.168 1.00 0.00 S ATOM 924 CE MET A 62 -1.674 -7.544 -3.306 1.00 0.00 C ATOM 0 H MET A 62 3.729 -6.673 -4.630 1.00 0.00 H new ATOM 0 HA MET A 62 2.157 -8.980 -5.597 1.00 0.00 H new ATOM 0 HB2 MET A 62 1.422 -6.407 -4.169 1.00 0.00 H new ATOM 0 HB3 MET A 62 0.227 -7.355 -5.033 1.00 0.00 H new ATOM 0 HG2 MET A 62 0.745 -9.314 -3.595 1.00 0.00 H new ATOM 0 HG3 MET A 62 1.933 -8.361 -2.727 1.00 0.00 H new ATOM 0 HE1 MET A 62 -2.606 -7.477 -2.744 1.00 0.00 H new ATOM 0 HE2 MET A 62 -1.548 -6.644 -3.908 1.00 0.00 H new ATOM 0 HE3 MET A 62 -1.706 -8.416 -3.959 1.00 0.00 H new ATOM 934 N ALA A 63 1.432 -7.880 -7.733 1.00 0.00 N ATOM 935 CA ALA A 63 1.160 -7.287 -9.035 1.00 0.00 C ATOM 936 C ALA A 63 -0.115 -6.449 -8.985 1.00 0.00 C ATOM 937 O ALA A 63 -1.064 -6.797 -8.277 1.00 0.00 O ATOM 938 CB ALA A 63 1.050 -8.368 -10.103 1.00 0.00 C ATOM 0 H ALA A 63 1.085 -8.832 -7.619 1.00 0.00 H new ATOM 0 HA ALA A 63 1.991 -6.632 -9.296 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.847 -7.906 -11.069 1.00 0.00 H new ATOM 0 HB2 ALA A 63 1.986 -8.923 -10.156 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.238 -9.049 -9.849 1.00 0.00 H new ATOM 944 N TYR A 64 -0.137 -5.339 -9.713 1.00 0.00 N ATOM 945 CA TYR A 64 -1.310 -4.475 -9.733 1.00 0.00 C ATOM 946 C TYR A 64 -1.469 -3.809 -11.095 1.00 0.00 C ATOM 947 O TYR A 64 -0.554 -3.830 -11.921 1.00 0.00 O ATOM 948 CB TYR A 64 -1.212 -3.416 -8.629 1.00 0.00 C ATOM 949 CG TYR A 64 -0.195 -2.318 -8.893 1.00 0.00 C ATOM 950 CD1 TYR A 64 1.168 -2.584 -8.906 1.00 0.00 C ATOM 951 CD2 TYR A 64 -0.610 -1.012 -9.131 1.00 0.00 C ATOM 952 CE1 TYR A 64 2.088 -1.582 -9.143 1.00 0.00 C ATOM 953 CE2 TYR A 64 0.307 -0.004 -9.368 1.00 0.00 C ATOM 954 CZ TYR A 64 1.653 -0.296 -9.375 1.00 0.00 C ATOM 955 OH TYR A 64 2.571 0.702 -9.600 1.00 0.00 O ATOM 0 H TYR A 64 0.638 -5.018 -10.293 1.00 0.00 H new ATOM 0 HA TYR A 64 -2.191 -5.091 -9.549 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -2.193 -2.960 -8.494 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -0.958 -3.910 -7.691 1.00 0.00 H new ATOM 0 HD1 TYR A 64 1.514 -3.591 -8.728 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -1.665 -0.781 -9.131 1.00 0.00 H new ATOM 0 HE1 TYR A 64 3.145 -1.806 -9.146 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -0.030 1.006 -9.547 1.00 0.00 H new ATOM 0 HH TYR A 64 3.477 0.338 -9.516 1.00 0.00 H new ATOM 965 N LYS A 65 -2.638 -3.228 -11.318 1.00 0.00 N ATOM 966 CA LYS A 65 -2.928 -2.527 -12.554 1.00 0.00 C ATOM 967 C LYS A 65 -3.453 -1.136 -12.256 1.00 0.00 C ATOM 968 O LYS A 65 -3.928 -0.851 -11.156 1.00 0.00 O ATOM 969 CB LYS A 65 -3.953 -3.300 -13.385 1.00 0.00 C ATOM 970 CG LYS A 65 -5.287 -3.469 -12.678 1.00 0.00 C ATOM 971 CD LYS A 65 -6.324 -4.157 -13.554 1.00 0.00 C ATOM 972 CE LYS A 65 -6.751 -3.272 -14.713 1.00 0.00 C ATOM 973 NZ LYS A 65 -7.889 -3.850 -15.476 1.00 0.00 N ATOM 0 H LYS A 65 -3.408 -3.230 -10.649 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.004 -2.446 -13.126 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.112 -2.780 -14.330 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.549 -4.283 -13.626 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.142 -4.050 -11.767 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.662 -2.491 -12.376 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.914 -5.090 -13.940 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -7.195 -4.416 -12.953 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -7.033 -2.290 -14.333 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -5.905 -3.123 -15.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.144 -3.211 -16.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -7.613 -4.775 -15.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.706 -3.968 -14.844 1.00 0.00 H new ATOM 987 N VAL A 66 -3.349 -0.279 -13.242 1.00 0.00 N ATOM 988 CA VAL A 66 -3.837 1.080 -13.145 1.00 0.00 C ATOM 989 C VAL A 66 -5.145 1.222 -13.908 1.00 0.00 C ATOM 990 O VAL A 66 -5.231 0.861 -15.086 1.00 0.00 O ATOM 991 CB VAL A 66 -2.790 2.073 -13.693 1.00 0.00 C ATOM 992 CG1 VAL A 66 -3.329 3.495 -13.691 1.00 0.00 C ATOM 993 CG2 VAL A 66 -1.500 1.988 -12.887 1.00 0.00 C ATOM 0 H VAL A 66 -2.921 -0.503 -14.140 1.00 0.00 H new ATOM 0 HA VAL A 66 -4.014 1.310 -12.094 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.573 1.798 -14.725 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.570 4.172 -14.082 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.220 3.547 -14.317 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.584 3.786 -12.672 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.773 2.695 -13.288 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.706 2.231 -11.844 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.097 0.977 -12.952 1.00 0.00 H new ATOM 1003 N ILE A 67 -6.163 1.724 -13.230 1.00 0.00 N ATOM 1004 CA ILE A 67 -7.464 1.932 -13.845 1.00 0.00 C ATOM 1005 C ILE A 67 -7.479 3.282 -14.542 1.00 0.00 C ATOM 1006 O ILE A 67 -7.814 3.390 -15.721 1.00 0.00 O ATOM 1007 CB ILE A 67 -8.600 1.896 -12.804 1.00 0.00 C ATOM 1008 CG1 ILE A 67 -8.419 0.706 -11.855 1.00 0.00 C ATOM 1009 CG2 ILE A 67 -9.953 1.828 -13.502 1.00 0.00 C ATOM 1010 CD1 ILE A 67 -9.540 0.557 -10.852 1.00 0.00 C ATOM 0 H ILE A 67 -6.113 1.996 -12.248 1.00 0.00 H new ATOM 0 HA ILE A 67 -7.629 1.126 -14.559 1.00 0.00 H new ATOM 0 HB ILE A 67 -8.562 2.812 -12.214 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -8.344 -0.209 -12.443 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -7.476 0.819 -11.320 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -10.747 1.803 -12.755 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -10.079 2.705 -14.137 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -10.002 0.927 -14.114 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -9.345 -0.305 -10.214 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -9.601 1.456 -10.239 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -10.483 0.412 -11.379 1.00 0.00 H new ATOM 1022 N SER A 68 -7.082 4.300 -13.798 1.00 0.00 N ATOM 1023 CA SER A 68 -7.010 5.656 -14.311 1.00 0.00 C ATOM 1024 C SER A 68 -5.830 6.373 -13.681 1.00 0.00 C ATOM 1025 O SER A 68 -5.327 5.954 -12.638 1.00 0.00 O ATOM 1026 CB SER A 68 -8.287 6.429 -14.003 1.00 0.00 C ATOM 1027 OG SER A 68 -9.427 5.810 -14.575 1.00 0.00 O ATOM 0 H SER A 68 -6.801 4.209 -12.822 1.00 0.00 H new ATOM 0 HA SER A 68 -6.887 5.605 -15.393 1.00 0.00 H new ATOM 0 HB2 SER A 68 -8.416 6.502 -12.923 1.00 0.00 H new ATOM 0 HB3 SER A 68 -8.197 7.447 -14.383 1.00 0.00 H new ATOM 0 HG SER A 68 -10.227 6.332 -14.356 1.00 0.00 H new ATOM 1033 N GLN A 69 -5.400 7.451 -14.301 1.00 0.00 N ATOM 1034 CA GLN A 69 -4.248 8.188 -13.817 1.00 0.00 C ATOM 1035 C GLN A 69 -4.380 9.666 -14.139 1.00 0.00 C ATOM 1036 O GLN A 69 -4.734 10.044 -15.256 1.00 0.00 O ATOM 1037 CB GLN A 69 -2.954 7.614 -14.404 1.00 0.00 C ATOM 1038 CG GLN A 69 -1.695 8.290 -13.890 1.00 0.00 C ATOM 1039 CD GLN A 69 -0.433 7.557 -14.296 1.00 0.00 C ATOM 1040 OE1 GLN A 69 0.141 7.819 -15.352 1.00 0.00 O ATOM 1041 NE2 GLN A 69 0.008 6.629 -13.460 1.00 0.00 N ATOM 0 H GLN A 69 -5.829 7.838 -15.141 1.00 0.00 H new ATOM 0 HA GLN A 69 -4.205 8.082 -12.733 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.903 6.550 -14.175 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -2.987 7.705 -15.490 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.655 9.311 -14.268 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -1.740 8.354 -12.803 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -0.497 6.441 -12.594 1.00 0.00 H new ATOM 0 HE22 GLN A 69 0.852 6.102 -13.682 1.00 0.00 H new ATOM 1050 N SER A 70 -4.116 10.486 -13.144 1.00 0.00 N ATOM 1051 CA SER A 70 -4.164 11.924 -13.295 1.00 0.00 C ATOM 1052 C SER A 70 -3.187 12.569 -12.326 1.00 0.00 C ATOM 1053 O SER A 70 -3.277 12.366 -11.114 1.00 0.00 O ATOM 1054 CB SER A 70 -5.585 12.432 -13.042 1.00 0.00 C ATOM 1055 OG SER A 70 -5.644 13.850 -13.070 1.00 0.00 O ATOM 0 H SER A 70 -3.862 10.174 -12.207 1.00 0.00 H new ATOM 0 HA SER A 70 -3.881 12.191 -14.313 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.258 12.024 -13.796 1.00 0.00 H new ATOM 0 HB3 SER A 70 -5.934 12.071 -12.075 1.00 0.00 H new ATOM 0 HG SER A 70 -6.565 14.142 -12.907 1.00 0.00 H new ATOM 1061 N THR A 71 -2.254 13.332 -12.859 1.00 0.00 N ATOM 1062 CA THR A 71 -1.245 13.978 -12.042 1.00 0.00 C ATOM 1063 C THR A 71 -1.798 15.216 -11.345 1.00 0.00 C ATOM 1064 O THR A 71 -1.196 15.724 -10.398 1.00 0.00 O ATOM 1065 CB THR A 71 -0.028 14.368 -12.895 1.00 0.00 C ATOM 1066 OG1 THR A 71 -0.464 14.788 -14.195 1.00 0.00 O ATOM 1067 CG2 THR A 71 0.940 13.203 -13.028 1.00 0.00 C ATOM 0 H THR A 71 -2.173 13.521 -13.858 1.00 0.00 H new ATOM 0 HA THR A 71 -0.938 13.263 -11.279 1.00 0.00 H new ATOM 0 HB THR A 71 0.491 15.189 -12.400 1.00 0.00 H new ATOM 0 HG1 THR A 71 0.314 15.038 -14.736 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.792 13.506 -13.636 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.288 12.904 -12.039 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.435 12.363 -13.504 1.00 0.00 H new ATOM 1075 N ASP A 72 -2.944 15.697 -11.812 1.00 0.00 N ATOM 1076 CA ASP A 72 -3.535 16.903 -11.243 1.00 0.00 C ATOM 1077 C ASP A 72 -4.717 16.580 -10.344 1.00 0.00 C ATOM 1078 O ASP A 72 -5.090 17.382 -9.485 1.00 0.00 O ATOM 1079 CB ASP A 72 -3.967 17.878 -12.344 1.00 0.00 C ATOM 1080 CG ASP A 72 -5.119 17.362 -13.186 1.00 0.00 C ATOM 1081 OD1 ASP A 72 -6.288 17.577 -12.801 1.00 0.00 O ATOM 1082 OD2 ASP A 72 -4.859 16.748 -14.243 1.00 0.00 O ATOM 0 H ASP A 72 -3.477 15.277 -12.573 1.00 0.00 H new ATOM 0 HA ASP A 72 -2.765 17.378 -10.635 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.255 18.825 -11.888 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -3.115 18.083 -12.993 1.00 0.00 H new ATOM 1087 N GLY A 73 -5.305 15.414 -10.534 1.00 0.00 N ATOM 1088 CA GLY A 73 -6.461 15.046 -9.751 1.00 0.00 C ATOM 1089 C GLY A 73 -6.197 13.877 -8.828 1.00 0.00 C ATOM 1090 O GLY A 73 -6.155 14.037 -7.606 1.00 0.00 O ATOM 0 H GLY A 73 -5.004 14.716 -11.215 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -6.782 15.904 -9.160 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -7.283 14.795 -10.421 1.00 0.00 H new ATOM 1094 N SER A 74 -5.972 12.712 -9.417 1.00 0.00 N ATOM 1095 CA SER A 74 -5.878 11.472 -8.656 1.00 0.00 C ATOM 1096 C SER A 74 -5.555 10.295 -9.568 1.00 0.00 C ATOM 1097 O SER A 74 -5.803 10.334 -10.771 1.00 0.00 O ATOM 1098 CB SER A 74 -7.196 11.210 -7.915 1.00 0.00 C ATOM 1099 OG SER A 74 -7.164 10.003 -7.172 1.00 0.00 O ATOM 0 H SER A 74 -5.851 12.598 -10.423 1.00 0.00 H new ATOM 0 HA SER A 74 -5.070 11.577 -7.932 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.404 12.042 -7.243 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.013 11.169 -8.635 1.00 0.00 H new ATOM 0 HG SER A 74 -6.292 9.911 -6.734 1.00 0.00 H new ATOM 1105 N ILE A 75 -4.995 9.256 -8.978 1.00 0.00 N ATOM 1106 CA ILE A 75 -4.683 8.031 -9.689 1.00 0.00 C ATOM 1107 C ILE A 75 -5.499 6.888 -9.100 1.00 0.00 C ATOM 1108 O ILE A 75 -5.567 6.736 -7.881 1.00 0.00 O ATOM 1109 CB ILE A 75 -3.180 7.684 -9.593 1.00 0.00 C ATOM 1110 CG1 ILE A 75 -2.327 8.887 -10.008 1.00 0.00 C ATOM 1111 CG2 ILE A 75 -2.856 6.468 -10.457 1.00 0.00 C ATOM 1112 CD1 ILE A 75 -0.842 8.612 -9.980 1.00 0.00 C ATOM 0 H ILE A 75 -4.743 9.238 -7.990 1.00 0.00 H new ATOM 0 HA ILE A 75 -4.931 8.177 -10.740 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.946 7.438 -8.557 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.612 9.195 -11.014 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -2.546 9.724 -9.345 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -1.794 6.238 -10.377 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.439 5.613 -10.115 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.104 6.684 -11.496 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.300 9.507 -10.285 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.543 8.333 -8.970 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.610 7.796 -10.665 1.00 0.00 H new ATOM 1124 N GLU A 76 -6.127 6.095 -9.950 1.00 0.00 N ATOM 1125 CA GLU A 76 -6.918 4.968 -9.482 1.00 0.00 C ATOM 1126 C GLU A 76 -6.237 3.664 -9.868 1.00 0.00 C ATOM 1127 O GLU A 76 -5.969 3.416 -11.044 1.00 0.00 O ATOM 1128 CB GLU A 76 -8.332 5.007 -10.060 1.00 0.00 C ATOM 1129 CG GLU A 76 -9.295 4.076 -9.340 1.00 0.00 C ATOM 1130 CD GLU A 76 -10.739 4.293 -9.734 1.00 0.00 C ATOM 1131 OE1 GLU A 76 -11.128 3.895 -10.848 1.00 0.00 O ATOM 1132 OE2 GLU A 76 -11.504 4.836 -8.909 1.00 0.00 O ATOM 0 H GLU A 76 -6.106 6.209 -10.963 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.993 5.033 -8.397 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.713 6.027 -10.006 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.295 4.737 -11.115 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -9.019 3.043 -9.552 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.193 4.219 -8.264 1.00 0.00 H new ATOM 1139 N ILE A 77 -5.969 2.834 -8.876 1.00 0.00 N ATOM 1140 CA ILE A 77 -5.244 1.587 -9.092 1.00 0.00 C ATOM 1141 C ILE A 77 -6.036 0.397 -8.569 1.00 0.00 C ATOM 1142 O ILE A 77 -6.912 0.543 -7.721 1.00 0.00 O ATOM 1143 CB ILE A 77 -3.852 1.600 -8.416 1.00 0.00 C ATOM 1144 CG1 ILE A 77 -3.982 1.860 -6.909 1.00 0.00 C ATOM 1145 CG2 ILE A 77 -2.959 2.646 -9.064 1.00 0.00 C ATOM 1146 CD1 ILE A 77 -2.671 1.757 -6.154 1.00 0.00 C ATOM 0 H ILE A 77 -6.242 2.999 -7.907 1.00 0.00 H new ATOM 0 HA ILE A 77 -5.107 1.492 -10.169 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.394 0.620 -8.553 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -4.401 2.855 -6.756 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.690 1.147 -6.487 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.983 2.643 -8.578 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.838 2.416 -10.122 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -3.415 3.630 -8.957 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.844 1.953 -5.096 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.260 0.755 -6.274 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.966 2.489 -6.548 1.00 0.00 H new ATOM 1158 N GLN A 78 -5.725 -0.775 -9.090 1.00 0.00 N ATOM 1159 CA GLN A 78 -6.396 -1.998 -8.692 1.00 0.00 C ATOM 1160 C GLN A 78 -5.378 -3.115 -8.552 1.00 0.00 C ATOM 1161 O GLN A 78 -4.453 -3.216 -9.352 1.00 0.00 O ATOM 1162 CB GLN A 78 -7.451 -2.364 -9.735 1.00 0.00 C ATOM 1163 CG GLN A 78 -8.212 -3.640 -9.429 1.00 0.00 C ATOM 1164 CD GLN A 78 -9.280 -3.926 -10.463 1.00 0.00 C ATOM 1165 OE1 GLN A 78 -9.025 -4.586 -11.469 1.00 0.00 O ATOM 1166 NE2 GLN A 78 -10.489 -3.441 -10.217 1.00 0.00 N ATOM 0 H GLN A 78 -5.003 -0.906 -9.798 1.00 0.00 H new ATOM 0 HA GLN A 78 -6.888 -1.851 -7.731 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -8.162 -1.542 -9.820 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -6.966 -2.468 -10.705 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -7.515 -4.477 -9.387 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -8.673 -3.560 -8.445 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -10.658 -2.898 -9.370 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -11.250 -3.611 -10.875 1.00 0.00 H new ATOM 1175 N TYR A 79 -5.535 -3.942 -7.536 1.00 0.00 N ATOM 1176 CA TYR A 79 -4.583 -5.011 -7.285 1.00 0.00 C ATOM 1177 C TYR A 79 -4.963 -6.267 -8.053 1.00 0.00 C ATOM 1178 O TYR A 79 -6.128 -6.475 -8.390 1.00 0.00 O ATOM 1179 CB TYR A 79 -4.491 -5.298 -5.786 1.00 0.00 C ATOM 1180 CG TYR A 79 -3.936 -4.136 -4.992 1.00 0.00 C ATOM 1181 CD1 TYR A 79 -2.564 -3.975 -4.833 1.00 0.00 C ATOM 1182 CD2 TYR A 79 -4.778 -3.188 -4.426 1.00 0.00 C ATOM 1183 CE1 TYR A 79 -2.051 -2.907 -4.121 1.00 0.00 C ATOM 1184 CE2 TYR A 79 -4.271 -2.115 -3.718 1.00 0.00 C ATOM 1185 CZ TYR A 79 -2.908 -1.977 -3.572 1.00 0.00 C ATOM 1186 OH TYR A 79 -2.398 -0.909 -2.873 1.00 0.00 O ATOM 0 H TYR A 79 -6.309 -3.896 -6.873 1.00 0.00 H new ATOM 0 HA TYR A 79 -3.603 -4.688 -7.636 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -5.483 -5.548 -5.408 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -3.860 -6.173 -5.628 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -1.889 -4.695 -5.272 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -5.847 -3.291 -4.541 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -0.984 -2.802 -3.995 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -4.940 -1.388 -3.281 1.00 0.00 H new ATOM 0 HH TYR A 79 -3.134 -0.347 -2.552 1.00 0.00 H new ATOM 1196 N LEU A 80 -3.968 -7.088 -8.346 1.00 0.00 N ATOM 1197 CA LEU A 80 -4.186 -8.324 -9.072 1.00 0.00 C ATOM 1198 C LEU A 80 -3.960 -9.516 -8.152 1.00 0.00 C ATOM 1199 O LEU A 80 -3.692 -9.346 -6.959 1.00 0.00 O ATOM 1200 CB LEU A 80 -3.263 -8.392 -10.292 1.00 0.00 C ATOM 1201 CG LEU A 80 -3.512 -7.313 -11.345 1.00 0.00 C ATOM 1202 CD1 LEU A 80 -2.445 -7.371 -12.423 1.00 0.00 C ATOM 1203 CD2 LEU A 80 -4.893 -7.479 -11.961 1.00 0.00 C ATOM 0 H LEU A 80 -2.996 -6.917 -8.089 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.217 -8.353 -9.425 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.230 -8.317 -9.953 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.375 -9.370 -10.761 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.464 -6.339 -10.859 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.636 -6.597 -13.166 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.465 -7.210 -11.974 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.467 -8.349 -12.904 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -5.054 -6.702 -12.709 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.965 -8.458 -12.434 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.651 -7.395 -11.182 1.00 0.00 H new ATOM 1215 N GLY A 81 -4.061 -10.719 -8.698 1.00 0.00 N ATOM 1216 CA GLY A 81 -3.986 -11.901 -7.866 1.00 0.00 C ATOM 1217 C GLY A 81 -5.312 -12.146 -7.179 1.00 0.00 C ATOM 1218 O GLY A 81 -6.349 -11.754 -7.706 1.00 0.00 O ATOM 0 H GLY A 81 -4.192 -10.897 -9.694 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -3.719 -12.765 -8.474 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -3.200 -11.780 -7.121 1.00 0.00 H new ATOM 1222 N PRO A 82 -5.320 -12.791 -6.004 1.00 0.00 N ATOM 1223 CA PRO A 82 -6.553 -12.998 -5.226 1.00 0.00 C ATOM 1224 C PRO A 82 -7.191 -11.672 -4.802 1.00 0.00 C ATOM 1225 O PRO A 82 -8.371 -11.617 -4.446 1.00 0.00 O ATOM 1226 CB PRO A 82 -6.078 -13.781 -3.994 1.00 0.00 C ATOM 1227 CG PRO A 82 -4.759 -14.357 -4.381 1.00 0.00 C ATOM 1228 CD PRO A 82 -4.145 -13.371 -5.336 1.00 0.00 C ATOM 0 HA PRO A 82 -7.318 -13.518 -5.803 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.983 -13.129 -3.126 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -6.787 -14.565 -3.728 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -4.124 -14.502 -3.507 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -4.881 -15.333 -4.851 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -3.561 -12.613 -4.815 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -3.475 -13.858 -6.045 1.00 0.00 H new ATOM 1236 N TYR A 83 -6.405 -10.603 -4.872 1.00 0.00 N ATOM 1237 CA TYR A 83 -6.858 -9.273 -4.478 1.00 0.00 C ATOM 1238 C TYR A 83 -7.424 -8.511 -5.676 1.00 0.00 C ATOM 1239 O TYR A 83 -7.518 -7.285 -5.647 1.00 0.00 O ATOM 1240 CB TYR A 83 -5.697 -8.475 -3.873 1.00 0.00 C ATOM 1241 CG TYR A 83 -5.078 -9.098 -2.639 1.00 0.00 C ATOM 1242 CD1 TYR A 83 -4.053 -10.034 -2.743 1.00 0.00 C ATOM 1243 CD2 TYR A 83 -5.501 -8.730 -1.368 1.00 0.00 C ATOM 1244 CE1 TYR A 83 -3.472 -10.584 -1.616 1.00 0.00 C ATOM 1245 CE2 TYR A 83 -4.928 -9.279 -0.236 1.00 0.00 C ATOM 1246 CZ TYR A 83 -3.912 -10.203 -0.366 1.00 0.00 C ATOM 1247 OH TYR A 83 -3.331 -10.742 0.760 1.00 0.00 O ATOM 0 H TYR A 83 -5.440 -10.633 -5.202 1.00 0.00 H new ATOM 0 HA TYR A 83 -7.645 -9.394 -3.734 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -4.923 -8.355 -4.631 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -6.053 -7.476 -3.620 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -3.706 -10.335 -3.720 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -6.292 -8.002 -1.262 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -2.677 -11.309 -1.714 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -5.274 -8.986 0.744 1.00 0.00 H new ATOM 0 HH TYR A 83 -3.756 -10.367 1.559 1.00 0.00 H new ATOM 1257 N TYR A 84 -7.808 -9.247 -6.717 1.00 0.00 N ATOM 1258 CA TYR A 84 -8.363 -8.653 -7.932 1.00 0.00 C ATOM 1259 C TYR A 84 -9.655 -7.887 -7.620 1.00 0.00 C ATOM 1260 O TYR A 84 -10.230 -8.079 -6.546 1.00 0.00 O ATOM 1261 CB TYR A 84 -8.554 -9.744 -9.004 1.00 0.00 C ATOM 1262 CG TYR A 84 -9.583 -10.807 -8.677 1.00 0.00 C ATOM 1263 CD1 TYR A 84 -9.306 -11.824 -7.773 1.00 0.00 C ATOM 1264 CD2 TYR A 84 -10.822 -10.810 -9.305 1.00 0.00 C ATOM 1265 CE1 TYR A 84 -10.232 -12.807 -7.503 1.00 0.00 C ATOM 1266 CE2 TYR A 84 -11.756 -11.786 -9.034 1.00 0.00 C ATOM 1267 CZ TYR A 84 -11.455 -12.783 -8.136 1.00 0.00 C ATOM 1268 OH TYR A 84 -12.376 -13.766 -7.872 1.00 0.00 O ATOM 0 H TYR A 84 -7.744 -10.265 -6.743 1.00 0.00 H new ATOM 0 HA TYR A 84 -7.664 -7.920 -8.336 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -8.839 -9.263 -9.940 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -7.595 -10.232 -9.175 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -8.349 -11.844 -7.273 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -11.057 -10.034 -10.018 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -10.000 -13.592 -6.799 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -12.718 -11.768 -9.524 1.00 0.00 H new ATOM 0 HH TYR A 84 -13.187 -13.604 -8.398 1.00 0.00 H new ATOM 1278 N PRO A 85 -10.206 -7.145 -8.613 1.00 0.00 N ATOM 1279 CA PRO A 85 -10.995 -5.929 -8.494 1.00 0.00 C ATOM 1280 C PRO A 85 -11.090 -5.168 -7.152 1.00 0.00 C ATOM 1281 O PRO A 85 -11.773 -4.142 -7.094 1.00 0.00 O ATOM 1282 CB PRO A 85 -12.309 -6.427 -9.051 1.00 0.00 C ATOM 1283 CG PRO A 85 -11.856 -7.285 -10.215 1.00 0.00 C ATOM 1284 CD PRO A 85 -10.359 -7.535 -10.011 1.00 0.00 C ATOM 0 HA PRO A 85 -10.515 -5.097 -9.010 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -12.872 -7.002 -8.316 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -12.951 -5.608 -9.374 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -12.407 -8.225 -10.242 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -12.040 -6.781 -11.164 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -10.087 -8.577 -10.182 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -9.744 -6.931 -10.678 1.00 0.00 H new ATOM 1292 N LEU A 86 -10.450 -5.631 -6.094 1.00 0.00 N ATOM 1293 CA LEU A 86 -10.284 -4.813 -4.903 1.00 0.00 C ATOM 1294 C LEU A 86 -9.318 -3.676 -5.233 1.00 0.00 C ATOM 1295 O LEU A 86 -8.109 -3.888 -5.351 1.00 0.00 O ATOM 1296 CB LEU A 86 -9.748 -5.654 -3.737 1.00 0.00 C ATOM 1297 CG LEU A 86 -9.558 -4.903 -2.415 1.00 0.00 C ATOM 1298 CD1 LEU A 86 -10.891 -4.382 -1.898 1.00 0.00 C ATOM 1299 CD2 LEU A 86 -8.901 -5.808 -1.384 1.00 0.00 C ATOM 0 H LEU A 86 -10.039 -6.562 -6.033 1.00 0.00 H new ATOM 0 HA LEU A 86 -11.248 -4.406 -4.597 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -10.432 -6.486 -3.567 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.791 -6.084 -4.032 1.00 0.00 H new ATOM 0 HG LEU A 86 -8.905 -4.049 -2.593 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -10.735 -3.852 -0.959 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -11.325 -3.702 -2.631 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -11.570 -5.219 -1.734 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -8.772 -5.262 -0.450 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -9.532 -6.680 -1.210 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -7.928 -6.132 -1.752 1.00 0.00 H new ATOM 1311 N LYS A 87 -9.851 -2.478 -5.417 1.00 0.00 N ATOM 1312 CA LYS A 87 -9.045 -1.371 -5.905 1.00 0.00 C ATOM 1313 C LYS A 87 -8.679 -0.398 -4.790 1.00 0.00 C ATOM 1314 O LYS A 87 -9.143 -0.518 -3.655 1.00 0.00 O ATOM 1315 CB LYS A 87 -9.770 -0.621 -7.031 1.00 0.00 C ATOM 1316 CG LYS A 87 -11.019 0.125 -6.587 1.00 0.00 C ATOM 1317 CD LYS A 87 -11.540 1.032 -7.693 1.00 0.00 C ATOM 1318 CE LYS A 87 -12.750 1.835 -7.242 1.00 0.00 C ATOM 1319 NZ LYS A 87 -13.236 2.759 -8.303 1.00 0.00 N ATOM 0 H LYS A 87 -10.829 -2.249 -5.238 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.122 -1.800 -6.296 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.078 0.090 -7.482 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -10.045 -1.334 -7.808 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -11.792 -0.590 -6.305 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -10.795 0.719 -5.701 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -10.749 1.713 -8.008 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -11.807 0.430 -8.562 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -13.552 1.153 -6.960 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -12.492 2.409 -6.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -14.236 2.987 -8.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -12.674 3.634 -8.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -13.138 2.303 -9.232 1.00 0.00 H new ATOM 1333 N SER A 88 -7.855 0.574 -5.144 1.00 0.00 N ATOM 1334 CA SER A 88 -7.398 1.590 -4.219 1.00 0.00 C ATOM 1335 C SER A 88 -7.259 2.919 -4.962 1.00 0.00 C ATOM 1336 O SER A 88 -7.212 2.944 -6.192 1.00 0.00 O ATOM 1337 CB SER A 88 -6.063 1.157 -3.599 1.00 0.00 C ATOM 1338 OG SER A 88 -5.500 2.178 -2.803 1.00 0.00 O ATOM 0 H SER A 88 -7.484 0.678 -6.088 1.00 0.00 H new ATOM 0 HA SER A 88 -8.120 1.718 -3.413 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.216 0.265 -2.991 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.365 0.887 -4.391 1.00 0.00 H new ATOM 0 HG SER A 88 -6.118 2.404 -2.077 1.00 0.00 H new ATOM 1344 N THR A 89 -7.224 4.015 -4.228 1.00 0.00 N ATOM 1345 CA THR A 89 -7.134 5.328 -4.840 1.00 0.00 C ATOM 1346 C THR A 89 -5.930 6.089 -4.300 1.00 0.00 C ATOM 1347 O THR A 89 -5.584 5.969 -3.126 1.00 0.00 O ATOM 1348 CB THR A 89 -8.404 6.153 -4.580 1.00 0.00 C ATOM 1349 OG1 THR A 89 -9.559 5.298 -4.617 1.00 0.00 O ATOM 1350 CG2 THR A 89 -8.560 7.256 -5.618 1.00 0.00 C ATOM 0 H THR A 89 -7.256 4.023 -3.209 1.00 0.00 H new ATOM 0 HA THR A 89 -7.023 5.178 -5.914 1.00 0.00 H new ATOM 0 HB THR A 89 -8.315 6.611 -3.595 1.00 0.00 H new ATOM 0 HG1 THR A 89 -10.365 5.830 -4.449 1.00 0.00 H new ATOM 0 HG21 THR A 89 -9.466 7.825 -5.411 1.00 0.00 H new ATOM 0 HG22 THR A 89 -7.697 7.920 -5.575 1.00 0.00 H new ATOM 0 HG23 THR A 89 -8.628 6.813 -6.612 1.00 0.00 H new ATOM 1358 N LEU A 90 -5.285 6.844 -5.167 1.00 0.00 N ATOM 1359 CA LEU A 90 -4.158 7.675 -4.777 1.00 0.00 C ATOM 1360 C LEU A 90 -4.440 9.116 -5.155 1.00 0.00 C ATOM 1361 O LEU A 90 -4.693 9.415 -6.319 1.00 0.00 O ATOM 1362 CB LEU A 90 -2.875 7.206 -5.471 1.00 0.00 C ATOM 1363 CG LEU A 90 -2.384 5.814 -5.078 1.00 0.00 C ATOM 1364 CD1 LEU A 90 -1.221 5.397 -5.959 1.00 0.00 C ATOM 1365 CD2 LEU A 90 -1.972 5.790 -3.615 1.00 0.00 C ATOM 0 H LEU A 90 -5.524 6.900 -6.157 1.00 0.00 H new ATOM 0 HA LEU A 90 -4.020 7.594 -3.699 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -3.039 7.223 -6.548 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -2.084 7.925 -5.257 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.201 5.106 -5.220 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.882 4.403 -5.667 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.542 5.380 -7.001 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.403 6.108 -5.843 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -1.625 4.791 -3.351 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.169 6.508 -3.451 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.827 6.053 -2.992 1.00 0.00 H new ATOM 1377 N LYS A 91 -4.406 10.011 -4.191 1.00 0.00 N ATOM 1378 CA LYS A 91 -4.621 11.420 -4.477 1.00 0.00 C ATOM 1379 C LYS A 91 -3.409 12.244 -4.106 1.00 0.00 C ATOM 1380 O LYS A 91 -2.560 11.814 -3.323 1.00 0.00 O ATOM 1381 CB LYS A 91 -5.849 11.972 -3.753 1.00 0.00 C ATOM 1382 CG LYS A 91 -7.162 11.503 -4.343 1.00 0.00 C ATOM 1383 CD LYS A 91 -8.334 12.317 -3.820 1.00 0.00 C ATOM 1384 CE LYS A 91 -9.650 11.830 -4.398 1.00 0.00 C ATOM 1385 NZ LYS A 91 -10.077 10.543 -3.792 1.00 0.00 N ATOM 0 H LYS A 91 -4.233 9.795 -3.209 1.00 0.00 H new ATOM 0 HA LYS A 91 -4.793 11.494 -5.551 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.805 11.677 -2.705 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -5.817 13.061 -3.779 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -7.121 11.580 -5.430 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -7.314 10.451 -4.103 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.367 12.253 -2.732 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -8.191 13.368 -4.073 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.420 12.583 -4.232 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -9.550 11.708 -5.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -10.739 10.060 -4.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -9.244 9.940 -3.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -10.547 10.727 -2.883 1.00 0.00 H new ATOM 1399 N ARG A 92 -3.341 13.430 -4.678 1.00 0.00 N ATOM 1400 CA ARG A 92 -2.291 14.371 -4.351 1.00 0.00 C ATOM 1401 C ARG A 92 -2.508 14.908 -2.945 1.00 0.00 C ATOM 1402 O ARG A 92 -3.644 15.128 -2.517 1.00 0.00 O ATOM 1403 CB ARG A 92 -2.270 15.505 -5.375 1.00 0.00 C ATOM 1404 CG ARG A 92 -3.617 16.151 -5.559 1.00 0.00 C ATOM 1405 CD ARG A 92 -3.603 17.177 -6.676 1.00 0.00 C ATOM 1406 NE ARG A 92 -3.125 18.489 -6.235 1.00 0.00 N ATOM 1407 CZ ARG A 92 -3.604 19.644 -6.706 1.00 0.00 C ATOM 1408 NH1 ARG A 92 -4.543 19.639 -7.644 1.00 0.00 N ATOM 1409 NH2 ARG A 92 -3.138 20.799 -6.251 1.00 0.00 N ATOM 0 H ARG A 92 -4.005 13.765 -5.376 1.00 0.00 H new ATOM 0 HA ARG A 92 -1.325 13.868 -4.383 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -1.550 16.260 -5.059 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -1.925 15.117 -6.333 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -4.360 15.385 -5.779 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -3.920 16.631 -4.628 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -2.968 16.817 -7.486 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -4.609 17.280 -7.082 1.00 0.00 H new ATOM 0 HE ARG A 92 -2.388 18.523 -5.531 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -4.899 18.754 -8.005 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -4.909 20.520 -8.004 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -2.409 20.809 -5.537 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -3.508 21.677 -6.615 1.00 0.00 H new ATOM 1423 N GLY A 93 -1.422 15.112 -2.237 1.00 0.00 N ATOM 1424 CA GLY A 93 -1.501 15.548 -0.875 1.00 0.00 C ATOM 1425 C GLY A 93 -1.677 17.033 -0.773 1.00 0.00 C ATOM 1426 O GLY A 93 -1.122 17.791 -1.572 1.00 0.00 O ATOM 0 H GLY A 93 -0.474 14.981 -2.589 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.335 15.049 -0.382 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -0.595 15.253 -0.346 1.00 0.00 H new ATOM 1430 N GLU A 94 -2.453 17.432 0.209 1.00 0.00 N ATOM 1431 CA GLU A 94 -2.766 18.828 0.454 1.00 0.00 C ATOM 1432 C GLU A 94 -1.498 19.658 0.603 1.00 0.00 C ATOM 1433 O GLU A 94 -1.371 20.737 0.027 1.00 0.00 O ATOM 1434 CB GLU A 94 -3.641 18.927 1.704 1.00 0.00 C ATOM 1435 CG GLU A 94 -4.931 18.132 1.580 1.00 0.00 C ATOM 1436 CD GLU A 94 -5.663 17.980 2.899 1.00 0.00 C ATOM 1437 OE1 GLU A 94 -6.429 18.888 3.268 1.00 0.00 O ATOM 1438 OE2 GLU A 94 -5.470 16.950 3.574 1.00 0.00 O ATOM 0 H GLU A 94 -2.892 16.791 0.870 1.00 0.00 H new ATOM 0 HA GLU A 94 -3.311 19.231 -0.400 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -3.079 18.568 2.566 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -3.880 19.973 1.893 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -5.587 18.624 0.862 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -4.705 17.143 1.180 1.00 0.00 H new ATOM 1445 N ASN A 95 -0.552 19.130 1.359 1.00 0.00 N ATOM 1446 CA ASN A 95 0.739 19.786 1.538 1.00 0.00 C ATOM 1447 C ASN A 95 1.883 18.819 1.249 1.00 0.00 C ATOM 1448 O ASN A 95 2.435 18.210 2.165 1.00 0.00 O ATOM 1449 CB ASN A 95 0.890 20.359 2.957 1.00 0.00 C ATOM 1450 CG ASN A 95 -0.066 21.503 3.263 1.00 0.00 C ATOM 1451 OD1 ASN A 95 -0.452 22.267 2.247 1.00 0.00 O flip ATOM 1452 ND2 ASN A 95 -0.455 21.703 4.412 1.00 0.00 N flip ATOM 0 H ASN A 95 -0.650 18.248 1.861 1.00 0.00 H new ATOM 0 HA ASN A 95 0.782 20.612 0.828 1.00 0.00 H new ATOM 0 HB2 ASN A 95 0.729 19.560 3.680 1.00 0.00 H new ATOM 0 HB3 ASN A 95 1.914 20.708 3.091 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -0.140 21.098 5.170 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -1.093 22.474 4.607 1.00 0.00 H new ATOM 1459 N GLY A 96 2.193 18.647 -0.037 1.00 0.00 N ATOM 1460 CA GLY A 96 3.336 17.835 -0.446 1.00 0.00 C ATOM 1461 C GLY A 96 3.308 16.421 0.104 1.00 0.00 C ATOM 1462 O GLY A 96 4.266 15.974 0.739 1.00 0.00 O ATOM 0 H GLY A 96 1.669 19.058 -0.810 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.368 17.791 -1.535 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.254 18.324 -0.119 1.00 0.00 H new ATOM 1466 N THR A 97 2.224 15.711 -0.151 1.00 0.00 N ATOM 1467 CA THR A 97 2.047 14.368 0.374 1.00 0.00 C ATOM 1468 C THR A 97 1.332 13.473 -0.635 1.00 0.00 C ATOM 1469 O THR A 97 0.949 13.930 -1.713 1.00 0.00 O ATOM 1470 CB THR A 97 1.250 14.408 1.692 1.00 0.00 C ATOM 1471 OG1 THR A 97 0.492 15.629 1.765 1.00 0.00 O ATOM 1472 CG2 THR A 97 2.176 14.295 2.897 1.00 0.00 C ATOM 0 H THR A 97 1.448 16.044 -0.722 1.00 0.00 H new ATOM 0 HA THR A 97 3.036 13.951 0.565 1.00 0.00 H new ATOM 0 HB THR A 97 0.570 13.557 1.708 1.00 0.00 H new ATOM 0 HG1 THR A 97 -0.015 15.650 2.604 1.00 0.00 H new ATOM 0 HG21 THR A 97 1.586 14.326 3.813 1.00 0.00 H new ATOM 0 HG22 THR A 97 2.722 13.353 2.849 1.00 0.00 H new ATOM 0 HG23 THR A 97 2.883 15.125 2.892 1.00 0.00 H new ATOM 1480 N LEU A 98 1.200 12.196 -0.307 1.00 0.00 N ATOM 1481 CA LEU A 98 0.392 11.277 -1.098 1.00 0.00 C ATOM 1482 C LEU A 98 -0.744 10.727 -0.248 1.00 0.00 C ATOM 1483 O LEU A 98 -0.543 10.355 0.912 1.00 0.00 O ATOM 1484 CB LEU A 98 1.238 10.125 -1.650 1.00 0.00 C ATOM 1485 CG LEU A 98 0.490 9.139 -2.555 1.00 0.00 C ATOM 1486 CD1 LEU A 98 0.060 9.820 -3.846 1.00 0.00 C ATOM 1487 CD2 LEU A 98 1.356 7.926 -2.855 1.00 0.00 C ATOM 0 H LEU A 98 1.645 11.770 0.506 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.019 11.828 -1.944 1.00 0.00 H new ATOM 0 HB2 LEU A 98 2.073 10.545 -2.210 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.662 9.573 -0.811 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.403 8.801 -2.030 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.469 9.105 -4.476 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.599 10.657 -3.614 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.940 10.187 -4.374 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.808 7.238 -3.498 1.00 0.00 H new ATOM 0 HD22 LEU A 98 2.268 8.246 -3.359 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.614 7.424 -1.923 1.00 0.00 H new ATOM 1499 N ILE A 99 -1.934 10.695 -0.815 1.00 0.00 N ATOM 1500 CA ILE A 99 -3.094 10.185 -0.113 1.00 0.00 C ATOM 1501 C ILE A 99 -3.460 8.803 -0.635 1.00 0.00 C ATOM 1502 O ILE A 99 -3.889 8.660 -1.781 1.00 0.00 O ATOM 1503 CB ILE A 99 -4.301 11.134 -0.262 1.00 0.00 C ATOM 1504 CG1 ILE A 99 -3.958 12.508 0.311 1.00 0.00 C ATOM 1505 CG2 ILE A 99 -5.531 10.557 0.422 1.00 0.00 C ATOM 1506 CD1 ILE A 99 -5.030 13.553 0.089 1.00 0.00 C ATOM 0 H ILE A 99 -2.123 11.018 -1.764 1.00 0.00 H new ATOM 0 HA ILE A 99 -2.840 10.117 0.945 1.00 0.00 H new ATOM 0 HB ILE A 99 -4.529 11.243 -1.322 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.778 12.409 1.381 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -3.028 12.856 -0.138 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -6.369 11.244 0.303 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -5.782 9.597 -0.030 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -5.325 10.416 1.483 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -4.711 14.500 0.525 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -5.195 13.683 -0.980 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -5.957 13.230 0.563 1.00 0.00 H new ATOM 1518 N TRP A 100 -3.264 7.796 0.204 1.00 0.00 N ATOM 1519 CA TRP A 100 -3.586 6.422 -0.156 1.00 0.00 C ATOM 1520 C TRP A 100 -4.952 6.047 0.407 1.00 0.00 C ATOM 1521 O TRP A 100 -5.140 5.971 1.622 1.00 0.00 O ATOM 1522 CB TRP A 100 -2.503 5.465 0.362 1.00 0.00 C ATOM 1523 CG TRP A 100 -2.660 4.051 -0.110 1.00 0.00 C ATOM 1524 CD1 TRP A 100 -3.257 3.637 -1.262 1.00 0.00 C ATOM 1525 CD2 TRP A 100 -2.195 2.863 0.548 1.00 0.00 C ATOM 1526 NE1 TRP A 100 -3.197 2.272 -1.362 1.00 0.00 N ATOM 1527 CE2 TRP A 100 -2.550 1.771 -0.265 1.00 0.00 C ATOM 1528 CE3 TRP A 100 -1.513 2.617 1.742 1.00 0.00 C ATOM 1529 CZ2 TRP A 100 -2.249 0.457 0.079 1.00 0.00 C ATOM 1530 CZ3 TRP A 100 -1.214 1.310 2.081 1.00 0.00 C ATOM 1531 CH2 TRP A 100 -1.580 0.244 1.251 1.00 0.00 C ATOM 0 H TRP A 100 -2.882 7.905 1.143 1.00 0.00 H new ATOM 0 HA TRP A 100 -3.621 6.338 -1.242 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -1.527 5.835 0.049 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -2.514 5.476 1.452 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -3.712 4.291 -1.991 1.00 0.00 H new ATOM 0 HE1 TRP A 100 -3.574 1.718 -2.131 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -1.224 3.433 2.389 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 -2.534 -0.367 -0.559 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 -0.689 1.108 3.003 1.00 0.00 H new ATOM 0 HH2 TRP A 100 -1.329 -0.765 1.542 1.00 0.00 H new ATOM 1542 N GLU A 101 -5.907 5.837 -0.477 1.00 0.00 N ATOM 1543 CA GLU A 101 -7.255 5.492 -0.066 1.00 0.00 C ATOM 1544 C GLU A 101 -7.510 4.018 -0.235 1.00 0.00 C ATOM 1545 O GLU A 101 -7.251 3.435 -1.287 1.00 0.00 O ATOM 1546 CB GLU A 101 -8.274 6.262 -0.881 1.00 0.00 C ATOM 1547 CG GLU A 101 -8.299 7.736 -0.563 1.00 0.00 C ATOM 1548 CD GLU A 101 -9.018 8.527 -1.628 1.00 0.00 C ATOM 1549 OE1 GLU A 101 -8.370 8.951 -2.603 1.00 0.00 O ATOM 1550 OE2 GLU A 101 -10.246 8.719 -1.506 1.00 0.00 O ATOM 0 H GLU A 101 -5.775 5.899 -1.487 1.00 0.00 H new ATOM 0 HA GLU A 101 -7.353 5.755 0.987 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -8.057 6.129 -1.941 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -9.264 5.842 -0.703 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -8.788 7.892 0.398 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -7.278 8.104 -0.464 1.00 0.00 H new ATOM 1557 N GLN A 102 -8.047 3.439 0.804 1.00 0.00 N ATOM 1558 CA GLN A 102 -8.410 2.037 0.796 1.00 0.00 C ATOM 1559 C GLN A 102 -9.566 1.804 1.744 1.00 0.00 C ATOM 1560 O GLN A 102 -9.486 2.166 2.915 1.00 0.00 O ATOM 1561 CB GLN A 102 -7.214 1.170 1.194 1.00 0.00 C ATOM 1562 CG GLN A 102 -6.911 0.049 0.208 1.00 0.00 C ATOM 1563 CD GLN A 102 -7.852 -1.140 0.317 1.00 0.00 C ATOM 1564 OE1 GLN A 102 -9.017 -1.009 0.682 1.00 0.00 O ATOM 1565 NE2 GLN A 102 -7.343 -2.319 -0.005 1.00 0.00 N ATOM 0 H GLN A 102 -8.247 3.919 1.681 1.00 0.00 H new ATOM 0 HA GLN A 102 -8.713 1.757 -0.213 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -6.333 1.805 1.290 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -7.403 0.736 2.176 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -6.960 0.447 -0.806 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -5.889 -0.294 0.366 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -6.370 -2.390 -0.304 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -7.923 -3.156 0.046 1.00 0.00 H new ATOM 1574 N ASN A 103 -10.650 1.244 1.228 1.00 0.00 N ATOM 1575 CA ASN A 103 -11.776 0.832 2.061 1.00 0.00 C ATOM 1576 C ASN A 103 -12.400 2.018 2.802 1.00 0.00 C ATOM 1577 O ASN A 103 -13.094 1.838 3.804 1.00 0.00 O ATOM 1578 CB ASN A 103 -11.311 -0.236 3.055 1.00 0.00 C ATOM 1579 CG ASN A 103 -11.895 -1.602 2.763 1.00 0.00 C ATOM 1580 OD1 ASN A 103 -12.948 -1.970 3.285 1.00 0.00 O ATOM 1581 ND2 ASN A 103 -11.214 -2.361 1.922 1.00 0.00 N ATOM 0 H ASN A 103 -10.776 1.063 0.232 1.00 0.00 H new ATOM 0 HA ASN A 103 -12.547 0.417 1.411 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -10.223 -0.298 3.032 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -11.592 0.066 4.064 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -11.557 -3.291 1.683 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -10.346 -2.016 1.512 1.00 0.00 H new ATOM 1588 N GLY A 104 -12.145 3.227 2.309 1.00 0.00 N ATOM 1589 CA GLY A 104 -12.757 4.409 2.886 1.00 0.00 C ATOM 1590 C GLY A 104 -11.802 5.236 3.730 1.00 0.00 C ATOM 1591 O GLY A 104 -12.024 6.430 3.926 1.00 0.00 O ATOM 0 H GLY A 104 -11.525 3.408 1.520 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -13.153 5.032 2.084 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -13.604 4.106 3.502 1.00 0.00 H new ATOM 1595 N GLN A 105 -10.732 4.617 4.210 1.00 0.00 N ATOM 1596 CA GLN A 105 -9.821 5.288 5.132 1.00 0.00 C ATOM 1597 C GLN A 105 -8.679 5.956 4.379 1.00 0.00 C ATOM 1598 O GLN A 105 -8.224 5.455 3.347 1.00 0.00 O ATOM 1599 CB GLN A 105 -9.274 4.301 6.172 1.00 0.00 C ATOM 1600 CG GLN A 105 -8.573 3.103 5.563 1.00 0.00 C ATOM 1601 CD GLN A 105 -8.013 2.155 6.600 1.00 0.00 C ATOM 1602 OE1 GLN A 105 -6.861 2.278 7.010 1.00 0.00 O ATOM 1603 NE2 GLN A 105 -8.827 1.207 7.037 1.00 0.00 N ATOM 0 H GLN A 105 -10.473 3.658 3.979 1.00 0.00 H new ATOM 0 HA GLN A 105 -10.383 6.062 5.655 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -8.577 4.825 6.826 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -10.096 3.951 6.796 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -9.275 2.563 4.927 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -7.763 3.450 4.921 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -9.776 1.141 6.670 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -8.505 0.543 7.741 1.00 0.00 H new ATOM 1612 N ARG A 106 -8.235 7.095 4.898 1.00 0.00 N ATOM 1613 CA ARG A 106 -7.141 7.844 4.297 1.00 0.00 C ATOM 1614 C ARG A 106 -5.809 7.473 4.933 1.00 0.00 C ATOM 1615 O ARG A 106 -5.607 7.671 6.131 1.00 0.00 O ATOM 1616 CB ARG A 106 -7.360 9.359 4.452 1.00 0.00 C ATOM 1617 CG ARG A 106 -6.102 10.173 4.170 1.00 0.00 C ATOM 1618 CD ARG A 106 -6.253 11.637 4.554 1.00 0.00 C ATOM 1619 NE ARG A 106 -6.997 12.404 3.557 1.00 0.00 N ATOM 1620 CZ ARG A 106 -6.830 13.712 3.356 1.00 0.00 C ATOM 1621 NH1 ARG A 106 -5.935 14.388 4.067 1.00 0.00 N ATOM 1622 NH2 ARG A 106 -7.542 14.338 2.431 1.00 0.00 N ATOM 0 H ARG A 106 -8.620 7.522 5.741 1.00 0.00 H new ATOM 0 HA ARG A 106 -7.120 7.587 3.238 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -8.152 9.678 3.774 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -7.703 9.569 5.465 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -5.265 9.742 4.719 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -5.859 10.103 3.110 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -6.762 11.706 5.515 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -5.265 12.079 4.684 1.00 0.00 H new ATOM 0 HE ARG A 106 -7.682 11.912 2.983 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -5.373 13.907 4.769 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -5.810 15.388 3.911 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -8.219 13.820 1.871 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -7.413 15.338 2.278 1.00 0.00 H new ATOM 1636 N LYS A 107 -4.909 6.933 4.136 1.00 0.00 N ATOM 1637 CA LYS A 107 -3.541 6.753 4.568 1.00 0.00 C ATOM 1638 C LYS A 107 -2.698 7.927 4.108 1.00 0.00 C ATOM 1639 O LYS A 107 -2.562 8.182 2.911 1.00 0.00 O ATOM 1640 CB LYS A 107 -2.950 5.449 4.056 1.00 0.00 C ATOM 1641 CG LYS A 107 -3.188 4.291 4.998 1.00 0.00 C ATOM 1642 CD LYS A 107 -2.645 4.583 6.382 1.00 0.00 C ATOM 1643 CE LYS A 107 -2.892 3.421 7.311 1.00 0.00 C ATOM 1644 NZ LYS A 107 -4.342 3.203 7.552 1.00 0.00 N ATOM 0 H LYS A 107 -5.102 6.612 3.187 1.00 0.00 H new ATOM 0 HA LYS A 107 -3.539 6.706 5.657 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -3.383 5.216 3.083 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -1.878 5.575 3.905 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -4.256 4.085 5.061 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -2.713 3.394 4.601 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -1.576 4.786 6.323 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -3.118 5.480 6.781 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -2.455 2.517 6.886 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -2.389 3.602 8.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -4.476 2.754 8.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -4.838 4.117 7.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -4.728 2.585 6.810 1.00 0.00 H new ATOM 1658 N THR A 108 -2.151 8.640 5.064 1.00 0.00 N ATOM 1659 CA THR A 108 -1.334 9.804 4.770 1.00 0.00 C ATOM 1660 C THR A 108 0.135 9.433 4.866 1.00 0.00 C ATOM 1661 O THR A 108 0.630 9.086 5.938 1.00 0.00 O ATOM 1662 CB THR A 108 -1.653 10.972 5.723 1.00 0.00 C ATOM 1663 OG1 THR A 108 -3.046 11.294 5.628 1.00 0.00 O ATOM 1664 CG2 THR A 108 -0.822 12.202 5.387 1.00 0.00 C ATOM 0 H THR A 108 -2.255 8.437 6.058 1.00 0.00 H new ATOM 0 HA THR A 108 -1.561 10.134 3.756 1.00 0.00 H new ATOM 0 HB THR A 108 -1.407 10.664 6.739 1.00 0.00 H new ATOM 0 HG1 THR A 108 -3.252 12.036 6.234 1.00 0.00 H new ATOM 0 HG21 THR A 108 -1.070 13.008 6.077 1.00 0.00 H new ATOM 0 HG22 THR A 108 0.237 11.961 5.476 1.00 0.00 H new ATOM 0 HG23 THR A 108 -1.037 12.519 4.366 1.00 0.00 H new ATOM 1672 N MET A 109 0.821 9.490 3.737 1.00 0.00 N ATOM 1673 CA MET A 109 2.191 9.019 3.667 1.00 0.00 C ATOM 1674 C MET A 109 3.119 10.071 3.077 1.00 0.00 C ATOM 1675 O MET A 109 2.772 10.769 2.120 1.00 0.00 O ATOM 1676 CB MET A 109 2.256 7.729 2.843 1.00 0.00 C ATOM 1677 CG MET A 109 1.551 7.824 1.498 1.00 0.00 C ATOM 1678 SD MET A 109 1.530 6.257 0.603 1.00 0.00 S ATOM 1679 CE MET A 109 0.839 5.168 1.844 1.00 0.00 C ATOM 0 H MET A 109 0.452 9.857 2.860 1.00 0.00 H new ATOM 0 HA MET A 109 2.530 8.817 4.683 1.00 0.00 H new ATOM 0 HB2 MET A 109 3.301 7.467 2.677 1.00 0.00 H new ATOM 0 HB3 MET A 109 1.811 6.918 3.419 1.00 0.00 H new ATOM 0 HG2 MET A 109 0.526 8.161 1.654 1.00 0.00 H new ATOM 0 HG3 MET A 109 2.046 8.579 0.887 1.00 0.00 H new ATOM 0 HE1 MET A 109 0.565 4.219 1.383 1.00 0.00 H new ATOM 0 HE2 MET A 109 1.578 4.992 2.626 1.00 0.00 H new ATOM 0 HE3 MET A 109 -0.047 5.629 2.280 1.00 0.00 H new ATOM 1689 N THR A 110 4.286 10.192 3.688 1.00 0.00 N ATOM 1690 CA THR A 110 5.350 11.031 3.182 1.00 0.00 C ATOM 1691 C THR A 110 6.385 10.170 2.473 1.00 0.00 C ATOM 1692 O THR A 110 6.605 9.015 2.857 1.00 0.00 O ATOM 1693 CB THR A 110 6.013 11.812 4.332 1.00 0.00 C ATOM 1694 OG1 THR A 110 6.092 10.986 5.504 1.00 0.00 O ATOM 1695 CG2 THR A 110 5.235 13.079 4.649 1.00 0.00 C ATOM 0 H THR A 110 4.519 9.706 4.554 1.00 0.00 H new ATOM 0 HA THR A 110 4.930 11.747 2.475 1.00 0.00 H new ATOM 0 HB THR A 110 7.018 12.094 4.017 1.00 0.00 H new ATOM 0 HG1 THR A 110 6.516 11.489 6.230 1.00 0.00 H new ATOM 0 HG21 THR A 110 5.724 13.612 5.464 1.00 0.00 H new ATOM 0 HG22 THR A 110 5.203 13.717 3.766 1.00 0.00 H new ATOM 0 HG23 THR A 110 4.219 12.818 4.944 1.00 0.00 H new ATOM 1703 N ARG A 111 7.001 10.703 1.429 1.00 0.00 N ATOM 1704 CA ARG A 111 7.968 9.929 0.669 1.00 0.00 C ATOM 1705 C ARG A 111 9.306 9.926 1.377 1.00 0.00 C ATOM 1706 O ARG A 111 9.839 10.978 1.729 1.00 0.00 O ATOM 1707 CB ARG A 111 8.142 10.469 -0.749 1.00 0.00 C ATOM 1708 CG ARG A 111 8.708 9.430 -1.706 1.00 0.00 C ATOM 1709 CD ARG A 111 9.176 10.051 -3.008 1.00 0.00 C ATOM 1710 NE ARG A 111 10.534 10.587 -2.900 1.00 0.00 N ATOM 1711 CZ ARG A 111 11.480 10.394 -3.819 1.00 0.00 C ATOM 1712 NH1 ARG A 111 11.200 9.698 -4.917 1.00 0.00 N ATOM 1713 NH2 ARG A 111 12.703 10.889 -3.641 1.00 0.00 N ATOM 0 H ARG A 111 6.851 11.654 1.093 1.00 0.00 H new ATOM 0 HA ARG A 111 7.585 8.911 0.597 1.00 0.00 H new ATOM 0 HB2 ARG A 111 7.178 10.815 -1.123 1.00 0.00 H new ATOM 0 HB3 ARG A 111 8.804 11.335 -0.725 1.00 0.00 H new ATOM 0 HG2 ARG A 111 9.542 8.915 -1.230 1.00 0.00 H new ATOM 0 HG3 ARG A 111 7.947 8.678 -1.916 1.00 0.00 H new ATOM 0 HD2 ARG A 111 9.143 9.303 -3.800 1.00 0.00 H new ATOM 0 HD3 ARG A 111 8.492 10.850 -3.296 1.00 0.00 H new ATOM 0 HE ARG A 111 10.769 11.139 -2.075 1.00 0.00 H new ATOM 0 HH11 ARG A 111 10.265 9.315 -5.053 1.00 0.00 H new ATOM 0 HH12 ARG A 111 11.921 9.548 -5.623 1.00 0.00 H new ATOM 0 HH21 ARG A 111 12.921 11.420 -2.797 1.00 0.00 H new ATOM 0 HH22 ARG A 111 13.422 10.738 -4.348 1.00 0.00 H new ATOM 1727 N ILE A 112 9.841 8.741 1.585 1.00 0.00 N ATOM 1728 CA ILE A 112 11.128 8.594 2.232 1.00 0.00 C ATOM 1729 C ILE A 112 12.229 9.011 1.273 1.00 0.00 C ATOM 1730 O ILE A 112 12.134 8.791 0.064 1.00 0.00 O ATOM 1731 CB ILE A 112 11.375 7.146 2.694 1.00 0.00 C ATOM 1732 CG1 ILE A 112 10.175 6.637 3.487 1.00 0.00 C ATOM 1733 CG2 ILE A 112 12.643 7.046 3.536 1.00 0.00 C ATOM 1734 CD1 ILE A 112 9.909 7.422 4.753 1.00 0.00 C ATOM 0 H ILE A 112 9.402 7.861 1.314 1.00 0.00 H new ATOM 0 HA ILE A 112 11.132 9.234 3.115 1.00 0.00 H new ATOM 0 HB ILE A 112 11.508 6.525 1.808 1.00 0.00 H new ATOM 0 HG12 ILE A 112 9.289 6.674 2.853 1.00 0.00 H new ATOM 0 HG13 ILE A 112 10.338 5.591 3.746 1.00 0.00 H new ATOM 0 HG21 ILE A 112 12.792 6.012 3.848 1.00 0.00 H new ATOM 0 HG22 ILE A 112 13.499 7.374 2.946 1.00 0.00 H new ATOM 0 HG23 ILE A 112 12.546 7.681 4.417 1.00 0.00 H new ATOM 0 HD11 ILE A 112 9.042 7.004 5.265 1.00 0.00 H new ATOM 0 HD12 ILE A 112 10.779 7.364 5.407 1.00 0.00 H new ATOM 0 HD13 ILE A 112 9.714 8.464 4.501 1.00 0.00 H new ATOM 1746 N GLU A 113 13.264 9.601 1.819 1.00 0.00 N ATOM 1747 CA GLU A 113 14.352 10.119 1.017 1.00 0.00 C ATOM 1748 C GLU A 113 15.654 9.453 1.432 1.00 0.00 C ATOM 1749 O GLU A 113 16.155 9.661 2.538 1.00 0.00 O ATOM 1750 CB GLU A 113 14.430 11.635 1.166 1.00 0.00 C ATOM 1751 CG GLU A 113 15.302 12.315 0.131 1.00 0.00 C ATOM 1752 CD GLU A 113 14.870 12.000 -1.287 1.00 0.00 C ATOM 1753 OE1 GLU A 113 13.745 12.379 -1.675 1.00 0.00 O ATOM 1754 OE2 GLU A 113 15.663 11.383 -2.026 1.00 0.00 O ATOM 0 H GLU A 113 13.379 9.736 2.823 1.00 0.00 H new ATOM 0 HA GLU A 113 14.175 9.894 -0.035 1.00 0.00 H new ATOM 0 HB2 GLU A 113 13.423 12.047 1.104 1.00 0.00 H new ATOM 0 HB3 GLU A 113 14.811 11.872 2.159 1.00 0.00 H new ATOM 0 HG2 GLU A 113 15.271 13.393 0.286 1.00 0.00 H new ATOM 0 HG3 GLU A 113 16.337 12.003 0.270 1.00 0.00 H new