USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 688 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0.0018 USER MOD Single : A 26 THR OG1 : rot 5:sc= -0.392! USER MOD Single : A 31 ASN : amide:sc= 0.132 K(o=0.13,f=-3.6!) USER MOD Single : A 44 SER OG : rot 180:sc= -1.02 USER MOD Single : A 55 SER OG : rot -101:sc= 0.184 USER MOD Single : A 66 SER OG : rot 180:sc= -1.1 USER MOD Single : A 68 ASN :FLIP amide:sc= -0.75! F(o=-2.2,f=-0.75!) USER MOD Single : A 71 ASN : amide:sc= -0.0431 X(o=-0.043,f=0) USER MOD Single : A 74 ASN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.128 USER MOD Single : A 77 HIS : no HD1:sc= -0.0501 X(o=-0.05,f=0) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc=-0.00505 X(o=-0.005,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0.0137 USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.096 USER MOD Single : A 96 GLN : amide:sc= -4.12! C(o=-4.1!,f=-4.9!) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 TYR OH : rot -27:sc= -1.29 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 164 N GLU A 15 -7.110 9.623 -8.478 1.00 0.00 N ATOM 165 CA GLU A 15 -7.349 8.200 -8.644 1.00 0.00 C ATOM 166 C GLU A 15 -6.118 7.401 -8.212 1.00 0.00 C ATOM 167 O GLU A 15 -5.076 7.977 -7.903 1.00 0.00 O ATOM 168 CB GLU A 15 -7.736 7.873 -10.087 1.00 0.00 C ATOM 169 CG GLU A 15 -9.202 7.445 -10.179 1.00 0.00 C ATOM 170 CD GLU A 15 -9.582 7.092 -11.618 1.00 0.00 C ATOM 171 OE1 GLU A 15 -8.824 6.307 -12.228 1.00 0.00 O ATOM 172 OE2 GLU A 15 -10.621 7.615 -12.076 1.00 0.00 O ATOM 0 HA GLU A 15 -8.185 7.916 -8.005 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.568 8.745 -10.719 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.096 7.076 -10.467 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.374 6.585 -9.532 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.843 8.249 -9.817 1.00 0.00 H new ATOM 179 N PRO A 16 -6.282 6.051 -8.205 1.00 0.00 N ATOM 180 CA PRO A 16 -5.197 5.167 -7.816 1.00 0.00 C ATOM 181 C PRO A 16 -4.147 5.067 -8.925 1.00 0.00 C ATOM 182 O PRO A 16 -4.460 4.676 -10.048 1.00 0.00 O ATOM 183 CB PRO A 16 -5.864 3.836 -7.509 1.00 0.00 C ATOM 184 CG PRO A 16 -7.227 3.888 -8.179 1.00 0.00 C ATOM 185 CD PRO A 16 -7.502 5.333 -8.565 1.00 0.00 C ATOM 0 HA PRO A 16 -4.648 5.532 -6.948 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -5.272 3.005 -7.892 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -5.963 3.688 -6.434 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -7.244 3.248 -9.061 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -7.999 3.520 -7.503 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -7.716 5.425 -9.630 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.366 5.728 -8.031 1.00 0.00 H new ATOM 193 N ARG A 17 -2.922 5.429 -8.571 1.00 0.00 N ATOM 194 CA ARG A 17 -1.825 5.385 -9.522 1.00 0.00 C ATOM 195 C ARG A 17 -1.084 4.051 -9.416 1.00 0.00 C ATOM 196 O ARG A 17 -1.398 3.228 -8.558 1.00 0.00 O ATOM 197 CB ARG A 17 -0.839 6.530 -9.278 1.00 0.00 C ATOM 198 CG ARG A 17 -0.565 6.707 -7.783 1.00 0.00 C ATOM 199 CD ARG A 17 0.918 6.989 -7.527 1.00 0.00 C ATOM 200 NE ARG A 17 1.318 8.244 -8.201 1.00 0.00 N ATOM 201 CZ ARG A 17 1.943 8.293 -9.386 1.00 0.00 C ATOM 202 NH1 ARG A 17 2.243 7.159 -10.033 1.00 0.00 N ATOM 203 NH2 ARG A 17 2.269 9.477 -9.922 1.00 0.00 N ATOM 0 H ARG A 17 -2.666 5.754 -7.639 1.00 0.00 H new ATOM 0 HA ARG A 17 -2.247 5.491 -10.521 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.096 6.328 -9.801 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -1.241 7.455 -9.690 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.167 7.528 -7.394 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.866 5.808 -7.245 1.00 0.00 H new ATOM 0 HD2 ARG A 17 1.102 7.067 -6.456 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.523 6.160 -7.895 1.00 0.00 H new ATOM 0 HE ARG A 17 1.105 9.126 -7.735 1.00 0.00 H new ATOM 0 HH11 ARG A 17 1.996 6.258 -9.624 1.00 0.00 H new ATOM 0 HH12 ARG A 17 2.719 7.197 -10.935 1.00 0.00 H new ATOM 0 HH21 ARG A 17 2.042 10.340 -9.428 1.00 0.00 H new ATOM 0 HH22 ARG A 17 2.745 9.515 -10.824 1.00 0.00 H new ATOM 217 N LYS A 18 -0.113 3.878 -10.302 1.00 0.00 N ATOM 218 CA LYS A 18 0.675 2.658 -10.319 1.00 0.00 C ATOM 219 C LYS A 18 2.067 2.947 -9.754 1.00 0.00 C ATOM 220 O LYS A 18 2.756 3.852 -10.223 1.00 0.00 O ATOM 221 CB LYS A 18 0.696 2.053 -11.724 1.00 0.00 C ATOM 222 CG LYS A 18 1.626 0.839 -11.785 1.00 0.00 C ATOM 223 CD LYS A 18 1.444 0.075 -13.098 1.00 0.00 C ATOM 224 CE LYS A 18 0.146 -0.736 -13.085 1.00 0.00 C ATOM 225 NZ LYS A 18 -0.659 -0.445 -14.292 1.00 0.00 N ATOM 0 H LYS A 18 0.145 4.563 -11.013 1.00 0.00 H new ATOM 0 HA LYS A 18 0.220 1.903 -9.678 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.313 1.757 -12.012 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.025 2.804 -12.442 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.662 1.165 -11.690 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.422 0.177 -10.943 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.430 0.776 -13.932 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.292 -0.591 -13.256 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.376 -1.801 -13.042 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.430 -0.498 -12.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.536 -1.003 -14.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.894 0.568 -14.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.114 -0.695 -15.142 1.00 0.00 H new ATOM 239 N ILE A 19 2.440 2.161 -8.754 1.00 0.00 N ATOM 240 CA ILE A 19 3.738 2.322 -8.120 1.00 0.00 C ATOM 241 C ILE A 19 4.422 0.957 -8.015 1.00 0.00 C ATOM 242 O ILE A 19 3.856 0.016 -7.462 1.00 0.00 O ATOM 243 CB ILE A 19 3.593 3.042 -6.778 1.00 0.00 C ATOM 244 CG1 ILE A 19 2.896 4.393 -6.952 1.00 0.00 C ATOM 245 CG2 ILE A 19 4.948 3.181 -6.081 1.00 0.00 C ATOM 246 CD1 ILE A 19 1.842 4.611 -5.865 1.00 0.00 C ATOM 0 H ILE A 19 1.866 1.411 -8.367 1.00 0.00 H new ATOM 0 HA ILE A 19 4.383 2.957 -8.728 1.00 0.00 H new ATOM 0 HB ILE A 19 2.959 2.435 -6.132 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.634 5.194 -6.914 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.426 4.440 -7.934 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.817 3.696 -5.129 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.369 2.191 -5.903 1.00 0.00 H new ATOM 0 HG23 ILE A 19 5.625 3.755 -6.714 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.362 5.579 -6.012 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.092 3.822 -5.922 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.319 4.588 -4.885 1.00 0.00 H new ATOM 258 N ILE A 20 5.630 0.894 -8.556 1.00 0.00 N ATOM 259 CA ILE A 20 6.397 -0.340 -8.530 1.00 0.00 C ATOM 260 C ILE A 20 7.589 -0.175 -7.586 1.00 0.00 C ATOM 261 O ILE A 20 8.581 0.462 -7.938 1.00 0.00 O ATOM 262 CB ILE A 20 6.790 -0.756 -9.949 1.00 0.00 C ATOM 263 CG1 ILE A 20 5.630 -1.464 -10.654 1.00 0.00 C ATOM 264 CG2 ILE A 20 8.060 -1.608 -9.939 1.00 0.00 C ATOM 265 CD1 ILE A 20 5.485 -0.975 -12.096 1.00 0.00 C ATOM 0 H ILE A 20 6.096 1.677 -9.015 1.00 0.00 H new ATOM 0 HA ILE A 20 5.791 -1.157 -8.139 1.00 0.00 H new ATOM 0 HB ILE A 20 7.012 0.146 -10.520 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.798 -2.541 -10.647 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.703 -1.282 -10.110 1.00 0.00 H new ATOM 0 HG21 ILE A 20 8.317 -1.890 -10.960 1.00 0.00 H new ATOM 0 HG22 ILE A 20 8.879 -1.035 -9.504 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.891 -2.507 -9.346 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.654 -1.494 -12.574 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.293 0.098 -12.099 1.00 0.00 H new ATOM 0 HD13 ILE A 20 6.405 -1.180 -12.644 1.00 0.00 H new ATOM 277 N LEU A 21 7.453 -0.759 -6.405 1.00 0.00 N ATOM 278 CA LEU A 21 8.507 -0.684 -5.407 1.00 0.00 C ATOM 279 C LEU A 21 9.328 -1.975 -5.442 1.00 0.00 C ATOM 280 O LEU A 21 8.770 -3.068 -5.521 1.00 0.00 O ATOM 281 CB LEU A 21 7.919 -0.366 -4.030 1.00 0.00 C ATOM 282 CG LEU A 21 7.077 0.908 -3.939 1.00 0.00 C ATOM 283 CD1 LEU A 21 7.744 2.062 -4.689 1.00 0.00 C ATOM 284 CD2 LEU A 21 5.649 0.656 -4.427 1.00 0.00 C ATOM 0 H LEU A 21 6.629 -1.286 -6.116 1.00 0.00 H new ATOM 0 HA LEU A 21 9.190 0.135 -5.633 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.302 -1.209 -3.717 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.739 -0.288 -3.316 1.00 0.00 H new ATOM 0 HG LEU A 21 7.013 1.201 -2.891 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.124 2.955 -4.608 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.724 2.260 -4.255 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.860 1.795 -5.739 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.071 1.577 -4.352 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.672 0.326 -5.465 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.185 -0.115 -3.812 1.00 0.00 H new ATOM 296 N HIS A 22 10.641 -1.805 -5.381 1.00 0.00 N ATOM 297 CA HIS A 22 11.545 -2.942 -5.404 1.00 0.00 C ATOM 298 C HIS A 22 12.000 -3.264 -3.980 1.00 0.00 C ATOM 299 O HIS A 22 12.874 -2.591 -3.436 1.00 0.00 O ATOM 300 CB HIS A 22 12.714 -2.687 -6.357 1.00 0.00 C ATOM 301 CG HIS A 22 12.337 -2.736 -7.819 1.00 0.00 C ATOM 302 ND1 HIS A 22 12.322 -1.612 -8.627 1.00 0.00 N ATOM 303 CD2 HIS A 22 11.961 -3.783 -8.608 1.00 0.00 C ATOM 304 CE1 HIS A 22 11.953 -1.978 -9.845 1.00 0.00 C ATOM 305 NE2 HIS A 22 11.729 -3.324 -9.831 1.00 0.00 N ATOM 0 H HIS A 22 11.100 -0.897 -5.316 1.00 0.00 H new ATOM 0 HA HIS A 22 11.024 -3.819 -5.788 1.00 0.00 H new ATOM 0 HB2 HIS A 22 13.143 -1.710 -6.136 1.00 0.00 H new ATOM 0 HB3 HIS A 22 13.492 -3.427 -6.168 1.00 0.00 H new ATOM 0 HD2 HIS A 22 11.868 -4.811 -8.291 1.00 0.00 H new ATOM 0 HE1 HIS A 22 11.848 -1.326 -10.699 1.00 0.00 H new ATOM 0 HE2 HIS A 22 11.432 -3.885 -10.629 1.00 0.00 H new ATOM 313 N LYS A 23 11.388 -4.295 -3.416 1.00 0.00 N ATOM 314 CA LYS A 23 11.720 -4.716 -2.065 1.00 0.00 C ATOM 315 C LYS A 23 13.234 -4.623 -1.864 1.00 0.00 C ATOM 316 O LYS A 23 13.993 -5.360 -2.491 1.00 0.00 O ATOM 317 CB LYS A 23 11.146 -6.105 -1.780 1.00 0.00 C ATOM 318 CG LYS A 23 9.744 -6.005 -1.175 1.00 0.00 C ATOM 319 CD LYS A 23 9.465 -7.184 -0.241 1.00 0.00 C ATOM 320 CE LYS A 23 9.006 -8.412 -1.030 1.00 0.00 C ATOM 321 NZ LYS A 23 8.997 -9.612 -0.163 1.00 0.00 N ATOM 0 H LYS A 23 10.664 -4.852 -3.870 1.00 0.00 H new ATOM 0 HA LYS A 23 11.260 -4.051 -1.335 1.00 0.00 H new ATOM 0 HB2 LYS A 23 11.107 -6.683 -2.703 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.804 -6.641 -1.096 1.00 0.00 H new ATOM 0 HG2 LYS A 23 9.648 -5.069 -0.624 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.001 -5.984 -1.972 1.00 0.00 H new ATOM 0 HD2 LYS A 23 10.365 -7.426 0.324 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.699 -6.906 0.483 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.008 -8.240 -1.433 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.670 -8.575 -1.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.683 -10.436 -0.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.956 -9.784 0.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.346 -9.460 0.634 1.00 0.00 H new ATOM 335 N GLY A 24 13.628 -3.710 -0.988 1.00 0.00 N ATOM 336 CA GLY A 24 15.037 -3.512 -0.696 1.00 0.00 C ATOM 337 C GLY A 24 15.467 -4.335 0.519 1.00 0.00 C ATOM 338 O GLY A 24 16.188 -5.323 0.381 1.00 0.00 O ATOM 0 H GLY A 24 12.995 -3.099 -0.471 1.00 0.00 H new ATOM 0 HA2 GLY A 24 15.635 -3.796 -1.562 1.00 0.00 H new ATOM 0 HA3 GLY A 24 15.228 -2.455 -0.510 1.00 0.00 H new ATOM 342 N SER A 25 15.008 -3.899 1.683 1.00 0.00 N ATOM 343 CA SER A 25 15.336 -4.583 2.922 1.00 0.00 C ATOM 344 C SER A 25 14.122 -5.367 3.424 1.00 0.00 C ATOM 345 O SER A 25 13.534 -5.020 4.447 1.00 0.00 O ATOM 346 CB SER A 25 15.807 -3.594 3.989 1.00 0.00 C ATOM 347 OG SER A 25 15.305 -2.280 3.759 1.00 0.00 O ATOM 0 H SER A 25 14.411 -3.079 1.794 1.00 0.00 H new ATOM 0 HA SER A 25 16.152 -5.277 2.723 1.00 0.00 H new ATOM 0 HB2 SER A 25 15.483 -3.939 4.971 1.00 0.00 H new ATOM 0 HB3 SER A 25 16.897 -3.568 4.004 1.00 0.00 H new ATOM 0 HG SER A 25 15.627 -1.679 4.463 1.00 0.00 H new ATOM 353 N THR A 26 13.782 -6.410 2.680 1.00 0.00 N ATOM 354 CA THR A 26 12.648 -7.246 3.037 1.00 0.00 C ATOM 355 C THR A 26 11.410 -6.385 3.291 1.00 0.00 C ATOM 356 O THR A 26 10.735 -6.545 4.307 1.00 0.00 O ATOM 357 CB THR A 26 13.052 -8.100 4.240 1.00 0.00 C ATOM 358 OG1 THR A 26 13.006 -7.195 5.340 1.00 0.00 O ATOM 359 CG2 THR A 26 14.516 -8.541 4.181 1.00 0.00 C ATOM 0 H THR A 26 14.272 -6.695 1.832 1.00 0.00 H new ATOM 0 HA THR A 26 12.377 -7.916 2.221 1.00 0.00 H new ATOM 0 HB THR A 26 12.410 -8.980 4.292 1.00 0.00 H new ATOM 0 HG1 THR A 26 12.662 -6.329 5.037 1.00 0.00 H new ATOM 0 HG21 THR A 26 14.750 -9.144 5.058 1.00 0.00 H new ATOM 0 HG22 THR A 26 14.682 -9.131 3.280 1.00 0.00 H new ATOM 0 HG23 THR A 26 15.160 -7.662 4.163 1.00 0.00 H new ATOM 367 N GLY A 27 11.147 -5.490 2.350 1.00 0.00 N ATOM 368 CA GLY A 27 10.001 -4.603 2.459 1.00 0.00 C ATOM 369 C GLY A 27 9.988 -3.582 1.320 1.00 0.00 C ATOM 370 O GLY A 27 11.017 -3.331 0.694 1.00 0.00 O ATOM 0 H GLY A 27 11.708 -5.360 1.508 1.00 0.00 H new ATOM 0 HA2 GLY A 27 9.081 -5.187 2.439 1.00 0.00 H new ATOM 0 HA3 GLY A 27 10.028 -4.084 3.417 1.00 0.00 H new ATOM 374 N LEU A 28 8.811 -3.019 1.086 1.00 0.00 N ATOM 375 CA LEU A 28 8.651 -2.030 0.033 1.00 0.00 C ATOM 376 C LEU A 28 9.061 -0.655 0.564 1.00 0.00 C ATOM 377 O LEU A 28 9.178 0.300 -0.201 1.00 0.00 O ATOM 378 CB LEU A 28 7.229 -2.073 -0.529 1.00 0.00 C ATOM 379 CG LEU A 28 6.951 -3.161 -1.568 1.00 0.00 C ATOM 380 CD1 LEU A 28 8.093 -3.257 -2.581 1.00 0.00 C ATOM 381 CD2 LEU A 28 6.669 -4.505 -0.893 1.00 0.00 C ATOM 0 H LEU A 28 7.960 -3.229 1.607 1.00 0.00 H new ATOM 0 HA LEU A 28 9.308 -2.257 -0.806 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.535 -2.206 0.301 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.008 -1.105 -0.978 1.00 0.00 H new ATOM 0 HG LEU A 28 6.053 -2.884 -2.121 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.870 -4.038 -3.308 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.204 -2.303 -3.096 1.00 0.00 H new ATOM 0 HD13 LEU A 28 9.020 -3.499 -2.062 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.475 -5.261 -1.654 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.533 -4.802 -0.299 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.798 -4.411 -0.245 1.00 0.00 H new ATOM 393 N GLY A 29 9.268 -0.599 1.872 1.00 0.00 N ATOM 394 CA GLY A 29 9.662 0.643 2.514 1.00 0.00 C ATOM 395 C GLY A 29 8.444 1.524 2.800 1.00 0.00 C ATOM 396 O GLY A 29 8.468 2.726 2.538 1.00 0.00 O ATOM 0 H GLY A 29 9.170 -1.394 2.504 1.00 0.00 H new ATOM 0 HA2 GLY A 29 10.184 0.425 3.446 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.362 1.181 1.875 1.00 0.00 H new ATOM 400 N PHE A 30 7.409 0.892 3.333 1.00 0.00 N ATOM 401 CA PHE A 30 6.184 1.604 3.657 1.00 0.00 C ATOM 402 C PHE A 30 5.247 0.729 4.492 1.00 0.00 C ATOM 403 O PHE A 30 5.201 -0.487 4.312 1.00 0.00 O ATOM 404 CB PHE A 30 5.500 1.942 2.331 1.00 0.00 C ATOM 405 CG PHE A 30 4.801 0.752 1.670 1.00 0.00 C ATOM 406 CD1 PHE A 30 3.693 0.210 2.243 1.00 0.00 C ATOM 407 CD2 PHE A 30 5.287 0.238 0.508 1.00 0.00 C ATOM 408 CE1 PHE A 30 3.045 -0.894 1.630 1.00 0.00 C ATOM 409 CE2 PHE A 30 4.638 -0.866 -0.105 1.00 0.00 C ATOM 410 CZ PHE A 30 3.531 -1.409 0.468 1.00 0.00 C ATOM 0 H PHE A 30 7.393 -0.105 3.549 1.00 0.00 H new ATOM 0 HA PHE A 30 6.415 2.498 4.236 1.00 0.00 H new ATOM 0 HB2 PHE A 30 4.768 2.731 2.503 1.00 0.00 H new ATOM 0 HB3 PHE A 30 6.244 2.342 1.642 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.306 0.620 3.164 1.00 0.00 H new ATOM 0 HD2 PHE A 30 6.166 0.669 0.052 1.00 0.00 H new ATOM 0 HE1 PHE A 30 2.166 -1.325 2.086 1.00 0.00 H new ATOM 0 HE2 PHE A 30 5.024 -1.275 -1.027 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.038 -2.249 0.001 1.00 0.00 H new ATOM 420 N ASN A 31 4.522 1.382 5.388 1.00 0.00 N ATOM 421 CA ASN A 31 3.589 0.680 6.252 1.00 0.00 C ATOM 422 C ASN A 31 2.184 0.760 5.650 1.00 0.00 C ATOM 423 O ASN A 31 1.967 1.462 4.664 1.00 0.00 O ATOM 424 CB ASN A 31 3.543 1.313 7.644 1.00 0.00 C ATOM 425 CG ASN A 31 3.616 0.243 8.735 1.00 0.00 C ATOM 426 OD1 ASN A 31 2.818 -0.678 8.793 1.00 0.00 O ATOM 427 ND2 ASN A 31 4.616 0.415 9.596 1.00 0.00 N ATOM 0 H ASN A 31 4.562 2.391 5.534 1.00 0.00 H new ATOM 0 HA ASN A 31 3.922 -0.354 6.337 1.00 0.00 H new ATOM 0 HB2 ASN A 31 4.373 2.011 7.758 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.624 1.889 7.755 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.750 -0.246 10.361 1.00 0.00 H new ATOM 0 HD22 ASN A 31 5.249 1.208 9.491 1.00 0.00 H new ATOM 434 N ILE A 32 1.267 0.030 6.269 1.00 0.00 N ATOM 435 CA ILE A 32 -0.110 0.010 5.807 1.00 0.00 C ATOM 436 C ILE A 32 -1.049 0.023 7.015 1.00 0.00 C ATOM 437 O ILE A 32 -0.695 -0.467 8.086 1.00 0.00 O ATOM 438 CB ILE A 32 -0.340 -1.170 4.861 1.00 0.00 C ATOM 439 CG1 ILE A 32 0.139 -2.480 5.492 1.00 0.00 C ATOM 440 CG2 ILE A 32 0.311 -0.918 3.500 1.00 0.00 C ATOM 441 CD1 ILE A 32 -0.713 -3.660 5.020 1.00 0.00 C ATOM 0 H ILE A 32 1.451 -0.552 7.086 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.329 0.904 5.223 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.412 -1.267 4.691 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.183 -2.653 5.231 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.091 -2.404 6.578 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.132 -1.772 2.847 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.119 -0.022 3.051 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.384 -0.779 3.630 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.351 -4.578 5.483 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.752 -3.495 5.304 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.643 -3.749 3.936 1.00 0.00 H new ATOM 453 N VAL A 33 -2.228 0.589 6.801 1.00 0.00 N ATOM 454 CA VAL A 33 -3.220 0.672 7.859 1.00 0.00 C ATOM 455 C VAL A 33 -4.605 0.378 7.278 1.00 0.00 C ATOM 456 O VAL A 33 -4.740 0.135 6.080 1.00 0.00 O ATOM 457 CB VAL A 33 -3.139 2.037 8.547 1.00 0.00 C ATOM 458 CG1 VAL A 33 -1.691 2.390 8.894 1.00 0.00 C ATOM 459 CG2 VAL A 33 -3.777 3.126 7.682 1.00 0.00 C ATOM 0 H VAL A 33 -2.518 0.994 5.911 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.023 -0.077 8.626 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.702 1.977 9.478 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.661 3.364 9.382 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.283 1.635 9.566 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.096 2.423 7.981 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.706 4.086 8.194 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.255 3.185 6.727 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.826 2.885 7.508 1.00 0.00 H new ATOM 469 N GLY A 34 -5.598 0.408 8.154 1.00 0.00 N ATOM 470 CA GLY A 34 -6.967 0.147 7.743 1.00 0.00 C ATOM 471 C GLY A 34 -7.084 -1.218 7.063 1.00 0.00 C ATOM 472 O GLY A 34 -6.077 -1.820 6.694 1.00 0.00 O ATOM 0 H GLY A 34 -5.482 0.609 9.147 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.624 0.182 8.612 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.300 0.928 7.059 1.00 0.00 H new ATOM 476 N GLY A 35 -8.322 -1.667 6.918 1.00 0.00 N ATOM 477 CA GLY A 35 -8.584 -2.950 6.288 1.00 0.00 C ATOM 478 C GLY A 35 -9.543 -3.791 7.134 1.00 0.00 C ATOM 479 O GLY A 35 -9.163 -4.841 7.649 1.00 0.00 O ATOM 0 H GLY A 35 -9.155 -1.165 7.226 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.010 -2.792 5.297 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.647 -3.489 6.150 1.00 0.00 H new ATOM 483 N GLU A 36 -10.766 -3.296 7.252 1.00 0.00 N ATOM 484 CA GLU A 36 -11.782 -3.989 8.027 1.00 0.00 C ATOM 485 C GLU A 36 -13.105 -4.021 7.259 1.00 0.00 C ATOM 486 O GLU A 36 -13.772 -2.997 7.121 1.00 0.00 O ATOM 487 CB GLU A 36 -11.961 -3.339 9.400 1.00 0.00 C ATOM 488 CG GLU A 36 -10.610 -3.124 10.086 1.00 0.00 C ATOM 489 CD GLU A 36 -10.607 -3.725 11.493 1.00 0.00 C ATOM 490 OE1 GLU A 36 -11.131 -4.851 11.630 1.00 0.00 O ATOM 491 OE2 GLU A 36 -10.081 -3.044 12.399 1.00 0.00 O ATOM 0 H GLU A 36 -11.077 -2.424 6.824 1.00 0.00 H new ATOM 0 HA GLU A 36 -11.452 -5.016 8.187 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -12.473 -2.383 9.290 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -12.594 -3.969 10.025 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -9.819 -3.580 9.490 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -10.392 -2.057 10.142 1.00 0.00 H new ATOM 498 N ASP A 37 -13.445 -5.209 6.779 1.00 0.00 N ATOM 499 CA ASP A 37 -14.676 -5.388 6.029 1.00 0.00 C ATOM 500 C ASP A 37 -14.558 -4.668 4.684 1.00 0.00 C ATOM 501 O ASP A 37 -14.552 -5.306 3.633 1.00 0.00 O ATOM 502 CB ASP A 37 -15.870 -4.795 6.780 1.00 0.00 C ATOM 503 CG ASP A 37 -16.044 -5.295 8.216 1.00 0.00 C ATOM 504 OD1 ASP A 37 -16.575 -6.417 8.366 1.00 0.00 O ATOM 505 OD2 ASP A 37 -15.641 -4.545 9.131 1.00 0.00 O ATOM 0 H ASP A 37 -12.889 -6.056 6.895 1.00 0.00 H new ATOM 0 HA ASP A 37 -14.833 -6.458 5.889 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -15.766 -3.710 6.799 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -16.779 -5.018 6.221 1.00 0.00 H new ATOM 510 N GLY A 38 -14.469 -3.348 4.762 1.00 0.00 N ATOM 511 CA GLY A 38 -14.352 -2.534 3.564 1.00 0.00 C ATOM 512 C GLY A 38 -13.983 -1.091 3.915 1.00 0.00 C ATOM 513 O GLY A 38 -14.326 -0.164 3.184 1.00 0.00 O ATOM 0 H GLY A 38 -14.476 -2.822 5.636 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -13.594 -2.957 2.905 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -15.294 -2.549 3.016 1.00 0.00 H new ATOM 517 N GLU A 39 -13.290 -0.947 5.035 1.00 0.00 N ATOM 518 CA GLU A 39 -12.871 0.367 5.492 1.00 0.00 C ATOM 519 C GLU A 39 -12.057 1.072 4.405 1.00 0.00 C ATOM 520 O GLU A 39 -12.595 1.875 3.645 1.00 0.00 O ATOM 521 CB GLU A 39 -12.075 0.266 6.795 1.00 0.00 C ATOM 522 CG GLU A 39 -12.721 1.108 7.898 1.00 0.00 C ATOM 523 CD GLU A 39 -14.197 0.746 8.071 1.00 0.00 C ATOM 524 OE1 GLU A 39 -14.464 -0.451 8.308 1.00 0.00 O ATOM 525 OE2 GLU A 39 -15.026 1.676 7.961 1.00 0.00 O ATOM 0 H GLU A 39 -13.008 -1.719 5.639 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.762 0.961 5.694 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -12.020 -0.775 7.112 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -11.052 0.602 6.628 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -12.192 0.950 8.838 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -12.629 2.166 7.654 1.00 0.00 H new ATOM 532 N GLY A 40 -10.773 0.747 4.368 1.00 0.00 N ATOM 533 CA GLY A 40 -9.880 1.340 3.387 1.00 0.00 C ATOM 534 C GLY A 40 -8.431 1.313 3.878 1.00 0.00 C ATOM 535 O GLY A 40 -8.128 1.823 4.956 1.00 0.00 O ATOM 0 H GLY A 40 -10.330 0.081 5.001 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.958 0.799 2.444 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -10.182 2.369 3.190 1.00 0.00 H new ATOM 539 N ILE A 41 -7.575 0.713 3.064 1.00 0.00 N ATOM 540 CA ILE A 41 -6.165 0.614 3.403 1.00 0.00 C ATOM 541 C ILE A 41 -5.495 1.971 3.181 1.00 0.00 C ATOM 542 O ILE A 41 -5.991 2.795 2.414 1.00 0.00 O ATOM 543 CB ILE A 41 -5.508 -0.531 2.629 1.00 0.00 C ATOM 544 CG1 ILE A 41 -6.394 -1.779 2.638 1.00 0.00 C ATOM 545 CG2 ILE A 41 -4.105 -0.821 3.165 1.00 0.00 C ATOM 546 CD1 ILE A 41 -6.468 -2.388 4.040 1.00 0.00 C ATOM 0 H ILE A 41 -7.830 0.291 2.171 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.043 0.367 4.458 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.398 -0.221 1.590 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.396 -1.520 2.296 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -5.999 -2.515 1.938 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.661 -1.639 2.598 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.485 0.070 3.063 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.168 -1.101 4.216 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -7.104 -3.273 4.019 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -5.467 -2.668 4.369 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -6.886 -1.657 4.732 1.00 0.00 H new ATOM 558 N PHE A 42 -4.376 2.161 3.865 1.00 0.00 N ATOM 559 CA PHE A 42 -3.632 3.404 3.752 1.00 0.00 C ATOM 560 C PHE A 42 -2.216 3.248 4.308 1.00 0.00 C ATOM 561 O PHE A 42 -1.990 2.467 5.231 1.00 0.00 O ATOM 562 CB PHE A 42 -4.381 4.450 4.581 1.00 0.00 C ATOM 563 CG PHE A 42 -5.777 4.781 4.051 1.00 0.00 C ATOM 564 CD1 PHE A 42 -5.926 5.674 3.037 1.00 0.00 C ATOM 565 CD2 PHE A 42 -6.870 4.181 4.595 1.00 0.00 C ATOM 566 CE1 PHE A 42 -7.223 5.981 2.545 1.00 0.00 C ATOM 567 CE2 PHE A 42 -8.167 4.488 4.104 1.00 0.00 C ATOM 568 CZ PHE A 42 -8.316 5.382 3.089 1.00 0.00 C ATOM 0 H PHE A 42 -3.967 1.475 4.499 1.00 0.00 H new ATOM 0 HA PHE A 42 -3.552 3.696 2.705 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -4.469 4.091 5.606 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.789 5.365 4.613 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -5.058 6.150 2.605 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -6.752 3.471 5.400 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -7.341 6.690 1.739 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -9.035 4.012 4.536 1.00 0.00 H new ATOM 0 HZ PHE A 42 -9.302 5.616 2.716 1.00 0.00 H new ATOM 578 N VAL A 43 -1.298 4.004 3.724 1.00 0.00 N ATOM 579 CA VAL A 43 0.090 3.960 4.149 1.00 0.00 C ATOM 580 C VAL A 43 0.227 4.661 5.502 1.00 0.00 C ATOM 581 O VAL A 43 -0.212 5.799 5.663 1.00 0.00 O ATOM 582 CB VAL A 43 0.989 4.564 3.069 1.00 0.00 C ATOM 583 CG1 VAL A 43 2.391 4.842 3.614 1.00 0.00 C ATOM 584 CG2 VAL A 43 1.049 3.660 1.836 1.00 0.00 C ATOM 0 H VAL A 43 -1.489 4.651 2.959 1.00 0.00 H new ATOM 0 HA VAL A 43 0.415 2.928 4.283 1.00 0.00 H new ATOM 0 HB VAL A 43 0.553 5.516 2.765 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.009 5.271 2.826 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.326 5.543 4.446 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.838 3.910 3.959 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.695 4.113 1.084 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.449 2.686 2.118 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.046 3.536 1.426 1.00 0.00 H new ATOM 594 N SER A 44 0.838 3.953 6.441 1.00 0.00 N ATOM 595 CA SER A 44 1.039 4.493 7.775 1.00 0.00 C ATOM 596 C SER A 44 2.383 5.220 7.848 1.00 0.00 C ATOM 597 O SER A 44 2.617 6.008 8.764 1.00 0.00 O ATOM 598 CB SER A 44 0.973 3.389 8.832 1.00 0.00 C ATOM 599 OG SER A 44 2.228 3.194 9.478 1.00 0.00 O ATOM 0 H SER A 44 1.201 3.009 6.304 1.00 0.00 H new ATOM 0 HA SER A 44 0.238 5.203 7.981 1.00 0.00 H new ATOM 0 HB2 SER A 44 0.218 3.644 9.576 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.657 2.457 8.364 1.00 0.00 H new ATOM 0 HG SER A 44 2.145 2.483 10.147 1.00 0.00 H new ATOM 605 N PHE A 45 3.231 4.930 6.872 1.00 0.00 N ATOM 606 CA PHE A 45 4.545 5.546 6.815 1.00 0.00 C ATOM 607 C PHE A 45 5.347 5.017 5.624 1.00 0.00 C ATOM 608 O PHE A 45 5.007 3.983 5.052 1.00 0.00 O ATOM 609 CB PHE A 45 5.271 5.173 8.110 1.00 0.00 C ATOM 610 CG PHE A 45 6.789 5.348 8.044 1.00 0.00 C ATOM 611 CD1 PHE A 45 7.335 6.590 8.131 1.00 0.00 C ATOM 612 CD2 PHE A 45 7.593 4.260 7.900 1.00 0.00 C ATOM 613 CE1 PHE A 45 8.745 6.752 8.070 1.00 0.00 C ATOM 614 CE2 PHE A 45 9.003 4.422 7.839 1.00 0.00 C ATOM 615 CZ PHE A 45 9.549 5.665 7.925 1.00 0.00 C ATOM 0 H PHE A 45 3.033 4.276 6.114 1.00 0.00 H new ATOM 0 HA PHE A 45 4.445 6.625 6.701 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.880 5.785 8.923 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.045 4.135 8.355 1.00 0.00 H new ATOM 0 HD1 PHE A 45 6.697 7.454 8.246 1.00 0.00 H new ATOM 0 HD2 PHE A 45 7.159 3.273 7.832 1.00 0.00 H new ATOM 0 HE1 PHE A 45 9.179 7.739 8.139 1.00 0.00 H new ATOM 0 HE2 PHE A 45 9.641 3.558 7.724 1.00 0.00 H new ATOM 0 HZ PHE A 45 10.621 5.788 7.878 1.00 0.00 H new ATOM 625 N ILE A 46 6.398 5.751 5.287 1.00 0.00 N ATOM 626 CA ILE A 46 7.251 5.368 4.174 1.00 0.00 C ATOM 627 C ILE A 46 8.714 5.414 4.620 1.00 0.00 C ATOM 628 O ILE A 46 9.263 6.491 4.851 1.00 0.00 O ATOM 629 CB ILE A 46 6.954 6.235 2.949 1.00 0.00 C ATOM 630 CG1 ILE A 46 5.520 6.021 2.460 1.00 0.00 C ATOM 631 CG2 ILE A 46 7.980 5.987 1.841 1.00 0.00 C ATOM 632 CD1 ILE A 46 5.481 5.822 0.944 1.00 0.00 C ATOM 0 H ILE A 46 6.678 6.608 5.764 1.00 0.00 H new ATOM 0 HA ILE A 46 7.042 4.343 3.868 1.00 0.00 H new ATOM 0 HB ILE A 46 7.041 7.281 3.242 1.00 0.00 H new ATOM 0 HG12 ILE A 46 5.089 5.151 2.956 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.907 6.880 2.733 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.746 6.615 0.982 1.00 0.00 H new ATOM 0 HG22 ILE A 46 8.977 6.230 2.208 1.00 0.00 H new ATOM 0 HG23 ILE A 46 7.948 4.939 1.543 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.450 5.672 0.623 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.890 6.704 0.451 1.00 0.00 H new ATOM 0 HD13 ILE A 46 6.075 4.948 0.676 1.00 0.00 H new ATOM 644 N LEU A 47 9.304 4.233 4.728 1.00 0.00 N ATOM 645 CA LEU A 47 10.693 4.125 5.142 1.00 0.00 C ATOM 646 C LEU A 47 11.507 5.236 4.475 1.00 0.00 C ATOM 647 O LEU A 47 11.133 5.733 3.414 1.00 0.00 O ATOM 648 CB LEU A 47 11.227 2.719 4.864 1.00 0.00 C ATOM 649 CG LEU A 47 12.674 2.455 5.285 1.00 0.00 C ATOM 650 CD1 LEU A 47 12.740 1.921 6.717 1.00 0.00 C ATOM 651 CD2 LEU A 47 13.373 1.524 4.293 1.00 0.00 C ATOM 0 H LEU A 47 8.846 3.342 4.536 1.00 0.00 H new ATOM 0 HA LEU A 47 10.782 4.267 6.219 1.00 0.00 H new ATOM 0 HB2 LEU A 47 10.585 2.001 5.373 1.00 0.00 H new ATOM 0 HB3 LEU A 47 11.139 2.523 3.795 1.00 0.00 H new ATOM 0 HG LEU A 47 13.212 3.403 5.270 1.00 0.00 H new ATOM 0 HD11 LEU A 47 13.780 1.742 6.991 1.00 0.00 H new ATOM 0 HD12 LEU A 47 12.306 2.653 7.399 1.00 0.00 H new ATOM 0 HD13 LEU A 47 12.181 0.987 6.783 1.00 0.00 H new ATOM 0 HD21 LEU A 47 14.400 1.353 4.616 1.00 0.00 H new ATOM 0 HD22 LEU A 47 12.843 0.573 4.251 1.00 0.00 H new ATOM 0 HD23 LEU A 47 13.375 1.982 3.304 1.00 0.00 H new ATOM 663 N ALA A 48 12.605 5.592 5.125 1.00 0.00 N ATOM 664 CA ALA A 48 13.476 6.634 4.608 1.00 0.00 C ATOM 665 C ALA A 48 14.577 5.998 3.757 1.00 0.00 C ATOM 666 O ALA A 48 15.388 5.225 4.263 1.00 0.00 O ATOM 667 CB ALA A 48 14.038 7.453 5.772 1.00 0.00 C ATOM 0 H ALA A 48 12.912 5.178 6.005 1.00 0.00 H new ATOM 0 HA ALA A 48 12.919 7.317 3.967 1.00 0.00 H new ATOM 0 HB1 ALA A 48 14.691 8.235 5.385 1.00 0.00 H new ATOM 0 HB2 ALA A 48 13.217 7.908 6.327 1.00 0.00 H new ATOM 0 HB3 ALA A 48 14.606 6.801 6.435 1.00 0.00 H new ATOM 673 N GLY A 49 14.568 6.347 2.479 1.00 0.00 N ATOM 674 CA GLY A 49 15.556 5.820 1.553 1.00 0.00 C ATOM 675 C GLY A 49 15.039 4.557 0.861 1.00 0.00 C ATOM 676 O GLY A 49 15.671 4.048 -0.064 1.00 0.00 O ATOM 0 H GLY A 49 13.892 6.988 2.063 1.00 0.00 H new ATOM 0 HA2 GLY A 49 15.799 6.575 0.805 1.00 0.00 H new ATOM 0 HA3 GLY A 49 16.478 5.594 2.089 1.00 0.00 H new ATOM 680 N GLY A 50 13.895 4.086 1.335 1.00 0.00 N ATOM 681 CA GLY A 50 13.286 2.892 0.774 1.00 0.00 C ATOM 682 C GLY A 50 12.842 3.131 -0.670 1.00 0.00 C ATOM 683 O GLY A 50 13.012 4.226 -1.203 1.00 0.00 O ATOM 0 H GLY A 50 13.373 4.510 2.102 1.00 0.00 H new ATOM 0 HA2 GLY A 50 13.997 2.066 0.808 1.00 0.00 H new ATOM 0 HA3 GLY A 50 12.428 2.599 1.378 1.00 0.00 H new ATOM 687 N PRO A 51 12.266 2.060 -1.279 1.00 0.00 N ATOM 688 CA PRO A 51 11.795 2.142 -2.651 1.00 0.00 C ATOM 689 C PRO A 51 10.490 2.937 -2.737 1.00 0.00 C ATOM 690 O PRO A 51 10.251 3.641 -3.717 1.00 0.00 O ATOM 691 CB PRO A 51 11.642 0.699 -3.102 1.00 0.00 C ATOM 692 CG PRO A 51 11.585 -0.131 -1.830 1.00 0.00 C ATOM 693 CD PRO A 51 12.047 0.747 -0.679 1.00 0.00 C ATOM 0 HA PRO A 51 12.487 2.677 -3.301 1.00 0.00 H new ATOM 0 HB2 PRO A 51 10.736 0.569 -3.694 1.00 0.00 H new ATOM 0 HB3 PRO A 51 12.480 0.395 -3.730 1.00 0.00 H new ATOM 0 HG2 PRO A 51 10.571 -0.489 -1.653 1.00 0.00 H new ATOM 0 HG3 PRO A 51 12.223 -1.010 -1.919 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.297 0.793 0.110 1.00 0.00 H new ATOM 0 HD3 PRO A 51 12.961 0.360 -0.228 1.00 0.00 H new ATOM 701 N ALA A 52 9.680 2.797 -1.698 1.00 0.00 N ATOM 702 CA ALA A 52 8.406 3.493 -1.643 1.00 0.00 C ATOM 703 C ALA A 52 8.656 4.992 -1.470 1.00 0.00 C ATOM 704 O ALA A 52 7.850 5.814 -1.905 1.00 0.00 O ATOM 705 CB ALA A 52 7.554 2.909 -0.515 1.00 0.00 C ATOM 0 H ALA A 52 9.881 2.212 -0.887 1.00 0.00 H new ATOM 0 HA ALA A 52 7.853 3.357 -2.572 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.598 3.431 -0.473 1.00 0.00 H new ATOM 0 HB2 ALA A 52 7.381 1.849 -0.701 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.075 3.030 0.435 1.00 0.00 H new ATOM 711 N ASP A 53 9.776 5.304 -0.835 1.00 0.00 N ATOM 712 CA ASP A 53 10.142 6.690 -0.599 1.00 0.00 C ATOM 713 C ASP A 53 10.934 7.215 -1.798 1.00 0.00 C ATOM 714 O ASP A 53 10.539 8.196 -2.426 1.00 0.00 O ATOM 715 CB ASP A 53 11.022 6.823 0.645 1.00 0.00 C ATOM 716 CG ASP A 53 10.748 8.061 1.502 1.00 0.00 C ATOM 717 OD1 ASP A 53 9.721 8.721 1.233 1.00 0.00 O ATOM 718 OD2 ASP A 53 11.573 8.319 2.406 1.00 0.00 O ATOM 0 H ASP A 53 10.442 4.620 -0.476 1.00 0.00 H new ATOM 0 HA ASP A 53 9.225 7.261 -0.454 1.00 0.00 H new ATOM 0 HB2 ASP A 53 10.888 5.935 1.263 1.00 0.00 H new ATOM 0 HB3 ASP A 53 12.066 6.840 0.333 1.00 0.00 H new ATOM 723 N LEU A 54 12.038 6.539 -2.078 1.00 0.00 N ATOM 724 CA LEU A 54 12.890 6.925 -3.191 1.00 0.00 C ATOM 725 C LEU A 54 12.025 7.173 -4.427 1.00 0.00 C ATOM 726 O LEU A 54 12.149 8.209 -5.079 1.00 0.00 O ATOM 727 CB LEU A 54 13.990 5.884 -3.409 1.00 0.00 C ATOM 728 CG LEU A 54 15.137 5.898 -2.396 1.00 0.00 C ATOM 729 CD1 LEU A 54 16.306 5.037 -2.879 1.00 0.00 C ATOM 730 CD2 LEU A 54 15.573 7.330 -2.080 1.00 0.00 C ATOM 0 H LEU A 54 12.363 5.726 -1.554 1.00 0.00 H new ATOM 0 HA LEU A 54 13.406 7.859 -2.970 1.00 0.00 H new ATOM 0 HB2 LEU A 54 13.534 4.894 -3.398 1.00 0.00 H new ATOM 0 HB3 LEU A 54 14.409 6.030 -4.405 1.00 0.00 H new ATOM 0 HG LEU A 54 14.776 5.459 -1.466 1.00 0.00 H new ATOM 0 HD11 LEU A 54 17.107 5.064 -2.141 1.00 0.00 H new ATOM 0 HD12 LEU A 54 15.970 4.009 -3.012 1.00 0.00 H new ATOM 0 HD13 LEU A 54 16.675 5.424 -3.829 1.00 0.00 H new ATOM 0 HD21 LEU A 54 16.389 7.311 -1.358 1.00 0.00 H new ATOM 0 HD22 LEU A 54 15.909 7.818 -2.995 1.00 0.00 H new ATOM 0 HD23 LEU A 54 14.732 7.883 -1.662 1.00 0.00 H new ATOM 742 N SER A 55 11.166 6.205 -4.714 1.00 0.00 N ATOM 743 CA SER A 55 10.281 6.306 -5.861 1.00 0.00 C ATOM 744 C SER A 55 9.653 7.700 -5.917 1.00 0.00 C ATOM 745 O SER A 55 9.605 8.322 -6.978 1.00 0.00 O ATOM 746 CB SER A 55 9.190 5.235 -5.811 1.00 0.00 C ATOM 747 OG SER A 55 8.346 5.385 -4.672 1.00 0.00 O ATOM 0 H SER A 55 11.065 5.347 -4.171 1.00 0.00 H new ATOM 0 HA SER A 55 10.871 6.144 -6.763 1.00 0.00 H new ATOM 0 HB2 SER A 55 8.588 5.288 -6.718 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.652 4.248 -5.793 1.00 0.00 H new ATOM 0 HG SER A 55 8.606 4.737 -3.985 1.00 0.00 H new ATOM 753 N GLY A 56 9.187 8.151 -4.762 1.00 0.00 N ATOM 754 CA GLY A 56 8.565 9.461 -4.665 1.00 0.00 C ATOM 755 C GLY A 56 7.058 9.371 -4.914 1.00 0.00 C ATOM 756 O GLY A 56 6.292 10.190 -4.409 1.00 0.00 O ATOM 0 H GLY A 56 9.228 7.632 -3.885 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.750 9.883 -3.677 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.018 10.137 -5.390 1.00 0.00 H new ATOM 760 N GLU A 57 6.677 8.368 -5.692 1.00 0.00 N ATOM 761 CA GLU A 57 5.276 8.160 -6.013 1.00 0.00 C ATOM 762 C GLU A 57 4.496 7.767 -4.757 1.00 0.00 C ATOM 763 O GLU A 57 3.522 8.426 -4.395 1.00 0.00 O ATOM 764 CB GLU A 57 5.115 7.106 -7.110 1.00 0.00 C ATOM 765 CG GLU A 57 6.004 7.427 -8.313 1.00 0.00 C ATOM 766 CD GLU A 57 5.423 6.835 -9.599 1.00 0.00 C ATOM 767 OE1 GLU A 57 5.086 5.632 -9.567 1.00 0.00 O ATOM 768 OE2 GLU A 57 5.329 7.599 -10.583 1.00 0.00 O ATOM 0 H GLU A 57 7.315 7.690 -6.109 1.00 0.00 H new ATOM 0 HA GLU A 57 4.868 9.097 -6.392 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.372 6.123 -6.715 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.073 7.060 -7.425 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.103 8.507 -8.418 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.005 7.030 -8.146 1.00 0.00 H new ATOM 775 N LEU A 58 4.953 6.696 -4.126 1.00 0.00 N ATOM 776 CA LEU A 58 4.310 6.207 -2.918 1.00 0.00 C ATOM 777 C LEU A 58 4.522 7.217 -1.789 1.00 0.00 C ATOM 778 O LEU A 58 5.657 7.554 -1.457 1.00 0.00 O ATOM 779 CB LEU A 58 4.800 4.797 -2.583 1.00 0.00 C ATOM 780 CG LEU A 58 3.996 4.042 -1.523 1.00 0.00 C ATOM 781 CD1 LEU A 58 2.542 4.517 -1.496 1.00 0.00 C ATOM 782 CD2 LEU A 58 4.102 2.529 -1.729 1.00 0.00 C ATOM 0 H LEU A 58 5.761 6.153 -4.429 1.00 0.00 H new ATOM 0 HA LEU A 58 3.234 6.117 -3.068 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.800 4.207 -3.499 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.835 4.864 -2.247 1.00 0.00 H new ATOM 0 HG LEU A 58 4.425 4.265 -0.546 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.993 3.964 -0.734 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.511 5.582 -1.265 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.085 4.344 -2.470 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.522 2.016 -0.962 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.714 2.268 -2.714 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.146 2.224 -1.658 1.00 0.00 H new ATOM 794 N ARG A 59 3.410 7.672 -1.229 1.00 0.00 N ATOM 795 CA ARG A 59 3.460 8.637 -0.143 1.00 0.00 C ATOM 796 C ARG A 59 2.407 8.301 0.914 1.00 0.00 C ATOM 797 O ARG A 59 1.303 7.873 0.582 1.00 0.00 O ATOM 798 CB ARG A 59 3.221 10.058 -0.658 1.00 0.00 C ATOM 799 CG ARG A 59 4.258 10.439 -1.716 1.00 0.00 C ATOM 800 CD ARG A 59 4.450 11.956 -1.774 1.00 0.00 C ATOM 801 NE ARG A 59 5.877 12.277 -2.000 1.00 0.00 N ATOM 802 CZ ARG A 59 6.320 13.467 -2.428 1.00 0.00 C ATOM 803 NH1 ARG A 59 5.451 14.455 -2.680 1.00 0.00 N ATOM 804 NH2 ARG A 59 7.633 13.668 -2.606 1.00 0.00 N ATOM 0 H ARG A 59 2.470 7.390 -1.507 1.00 0.00 H new ATOM 0 HA ARG A 59 4.454 8.586 0.301 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.220 10.131 -1.082 1.00 0.00 H new ATOM 0 HB3 ARG A 59 3.268 10.762 0.173 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.209 9.957 -1.489 1.00 0.00 H new ATOM 0 HG3 ARG A 59 3.940 10.072 -2.692 1.00 0.00 H new ATOM 0 HD2 ARG A 59 3.843 12.377 -2.575 1.00 0.00 H new ATOM 0 HD3 ARG A 59 4.110 12.410 -0.843 1.00 0.00 H new ATOM 0 HE ARG A 59 6.566 11.547 -1.819 1.00 0.00 H new ATOM 0 HH11 ARG A 59 4.452 14.302 -2.546 1.00 0.00 H new ATOM 0 HH12 ARG A 59 5.789 15.361 -3.006 1.00 0.00 H new ATOM 0 HH21 ARG A 59 8.295 12.915 -2.416 1.00 0.00 H new ATOM 0 HH22 ARG A 59 7.971 14.574 -2.932 1.00 0.00 H new ATOM 818 N ARG A 60 2.786 8.507 2.167 1.00 0.00 N ATOM 819 CA ARG A 60 1.888 8.231 3.275 1.00 0.00 C ATOM 820 C ARG A 60 0.521 8.871 3.023 1.00 0.00 C ATOM 821 O ARG A 60 0.436 10.058 2.712 1.00 0.00 O ATOM 822 CB ARG A 60 2.458 8.763 4.592 1.00 0.00 C ATOM 823 CG ARG A 60 1.496 8.499 5.752 1.00 0.00 C ATOM 824 CD ARG A 60 2.019 9.119 7.050 1.00 0.00 C ATOM 825 NE ARG A 60 2.127 10.588 6.901 1.00 0.00 N ATOM 826 CZ ARG A 60 3.199 11.216 6.399 1.00 0.00 C ATOM 827 NH1 ARG A 60 4.261 10.507 5.994 1.00 0.00 N ATOM 828 NH2 ARG A 60 3.208 12.552 6.302 1.00 0.00 N ATOM 0 H ARG A 60 3.703 8.862 2.439 1.00 0.00 H new ATOM 0 HA ARG A 60 1.778 7.149 3.351 1.00 0.00 H new ATOM 0 HB2 ARG A 60 3.418 8.288 4.795 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.644 9.833 4.506 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.515 8.912 5.517 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.366 7.425 5.884 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.348 8.877 7.874 1.00 0.00 H new ATOM 0 HD3 ARG A 60 2.993 8.698 7.297 1.00 0.00 H new ATOM 0 HE ARG A 60 1.335 11.158 7.199 1.00 0.00 H new ATOM 0 HH11 ARG A 60 4.253 9.490 6.068 1.00 0.00 H new ATOM 0 HH12 ARG A 60 5.077 10.984 5.612 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.399 13.091 6.610 1.00 0.00 H new ATOM 0 HH22 ARG A 60 4.024 13.030 5.920 1.00 0.00 H new ATOM 842 N GLY A 61 -0.514 8.057 3.167 1.00 0.00 N ATOM 843 CA GLY A 61 -1.872 8.529 2.959 1.00 0.00 C ATOM 844 C GLY A 61 -2.520 7.827 1.764 1.00 0.00 C ATOM 845 O GLY A 61 -3.742 7.702 1.700 1.00 0.00 O ATOM 0 H GLY A 61 -0.439 7.073 3.425 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.465 8.349 3.856 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.865 9.606 2.792 1.00 0.00 H new ATOM 849 N ASP A 62 -1.671 7.386 0.846 1.00 0.00 N ATOM 850 CA ASP A 62 -2.145 6.700 -0.343 1.00 0.00 C ATOM 851 C ASP A 62 -2.776 5.366 0.060 1.00 0.00 C ATOM 852 O ASP A 62 -2.149 4.562 0.749 1.00 0.00 O ATOM 853 CB ASP A 62 -0.993 6.407 -1.306 1.00 0.00 C ATOM 854 CG ASP A 62 -1.166 6.976 -2.715 1.00 0.00 C ATOM 855 OD1 ASP A 62 -1.868 6.316 -3.512 1.00 0.00 O ATOM 856 OD2 ASP A 62 -0.594 8.059 -2.964 1.00 0.00 O ATOM 0 H ASP A 62 -0.658 7.491 0.903 1.00 0.00 H new ATOM 0 HA ASP A 62 -2.872 7.345 -0.837 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -0.073 6.807 -0.880 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -0.867 5.327 -1.380 1.00 0.00 H new ATOM 861 N ARG A 63 -4.008 5.171 -0.387 1.00 0.00 N ATOM 862 CA ARG A 63 -4.730 3.948 -0.081 1.00 0.00 C ATOM 863 C ARG A 63 -4.310 2.830 -1.037 1.00 0.00 C ATOM 864 O ARG A 63 -4.325 3.010 -2.254 1.00 0.00 O ATOM 865 CB ARG A 63 -6.241 4.159 -0.187 1.00 0.00 C ATOM 866 CG ARG A 63 -6.973 2.823 -0.333 1.00 0.00 C ATOM 867 CD ARG A 63 -8.226 2.786 0.544 1.00 0.00 C ATOM 868 NE ARG A 63 -9.375 3.362 -0.190 1.00 0.00 N ATOM 869 CZ ARG A 63 -10.125 2.679 -1.066 1.00 0.00 C ATOM 870 NH1 ARG A 63 -9.852 1.392 -1.322 1.00 0.00 N ATOM 871 NH2 ARG A 63 -11.148 3.283 -1.685 1.00 0.00 N ATOM 0 H ARG A 63 -4.524 5.840 -0.959 1.00 0.00 H new ATOM 0 HA ARG A 63 -4.485 3.666 0.943 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.602 4.680 0.700 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.464 4.795 -1.044 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.250 2.668 -1.376 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -6.306 2.007 -0.055 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -8.447 1.759 0.834 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -8.053 3.346 1.463 1.00 0.00 H new ATOM 0 HE ARG A 63 -9.611 4.339 -0.019 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -9.073 0.932 -0.850 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -10.423 0.872 -1.989 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -11.356 4.262 -1.490 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -11.719 2.764 -2.352 1.00 0.00 H new ATOM 885 N ILE A 64 -3.944 1.699 -0.451 1.00 0.00 N ATOM 886 CA ILE A 64 -3.520 0.552 -1.236 1.00 0.00 C ATOM 887 C ILE A 64 -4.740 -0.076 -1.912 1.00 0.00 C ATOM 888 O ILE A 64 -5.358 -0.987 -1.363 1.00 0.00 O ATOM 889 CB ILE A 64 -2.726 -0.426 -0.369 1.00 0.00 C ATOM 890 CG1 ILE A 64 -1.488 0.249 0.226 1.00 0.00 C ATOM 891 CG2 ILE A 64 -2.368 -1.689 -1.155 1.00 0.00 C ATOM 892 CD1 ILE A 64 -0.483 0.613 -0.868 1.00 0.00 C ATOM 0 H ILE A 64 -3.932 1.553 0.558 1.00 0.00 H new ATOM 0 HA ILE A 64 -2.840 0.863 -2.029 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.357 -0.733 0.465 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.784 1.148 0.767 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.018 -0.418 0.949 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.804 -2.368 -0.516 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.282 -2.181 -1.489 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.763 -1.419 -2.021 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.387 1.091 -0.418 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.171 -0.291 -1.391 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.948 1.299 -1.576 1.00 0.00 H new ATOM 904 N LEU A 65 -5.051 0.435 -3.095 1.00 0.00 N ATOM 905 CA LEU A 65 -6.186 -0.065 -3.851 1.00 0.00 C ATOM 906 C LEU A 65 -5.940 -1.528 -4.224 1.00 0.00 C ATOM 907 O LEU A 65 -6.753 -2.397 -3.913 1.00 0.00 O ATOM 908 CB LEU A 65 -6.467 0.837 -5.055 1.00 0.00 C ATOM 909 CG LEU A 65 -7.289 2.096 -4.771 1.00 0.00 C ATOM 910 CD1 LEU A 65 -8.495 1.776 -3.886 1.00 0.00 C ATOM 911 CD2 LEU A 65 -6.414 3.199 -4.171 1.00 0.00 C ATOM 0 H LEU A 65 -4.536 1.190 -3.548 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.090 -0.038 -3.243 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.513 1.139 -5.488 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.988 0.249 -5.811 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.676 2.472 -5.718 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.062 2.688 -3.700 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -9.133 1.049 -4.389 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.151 1.363 -2.938 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.023 4.082 -3.979 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.977 2.849 -3.236 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.618 3.453 -4.871 1.00 0.00 H new ATOM 923 N SER A 66 -4.815 -1.756 -4.886 1.00 0.00 N ATOM 924 CA SER A 66 -4.452 -3.099 -5.305 1.00 0.00 C ATOM 925 C SER A 66 -2.936 -3.284 -5.213 1.00 0.00 C ATOM 926 O SER A 66 -2.181 -2.322 -5.342 1.00 0.00 O ATOM 927 CB SER A 66 -4.936 -3.382 -6.728 1.00 0.00 C ATOM 928 OG SER A 66 -4.554 -2.353 -7.637 1.00 0.00 O ATOM 0 H SER A 66 -4.143 -1.033 -5.143 1.00 0.00 H new ATOM 0 HA SER A 66 -4.939 -3.809 -4.637 1.00 0.00 H new ATOM 0 HB2 SER A 66 -4.528 -4.334 -7.067 1.00 0.00 H new ATOM 0 HB3 SER A 66 -6.021 -3.482 -6.729 1.00 0.00 H new ATOM 0 HG SER A 66 -4.880 -2.572 -8.535 1.00 0.00 H new ATOM 934 N VAL A 67 -2.536 -4.528 -4.992 1.00 0.00 N ATOM 935 CA VAL A 67 -1.123 -4.851 -4.882 1.00 0.00 C ATOM 936 C VAL A 67 -0.792 -6.003 -5.833 1.00 0.00 C ATOM 937 O VAL A 67 -1.583 -6.932 -5.988 1.00 0.00 O ATOM 938 CB VAL A 67 -0.769 -5.158 -3.425 1.00 0.00 C ATOM 939 CG1 VAL A 67 0.430 -6.105 -3.341 1.00 0.00 C ATOM 940 CG2 VAL A 67 -0.508 -3.871 -2.641 1.00 0.00 C ATOM 0 H VAL A 67 -3.165 -5.324 -4.886 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.512 -3.999 -5.179 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.624 -5.658 -2.970 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.661 -6.307 -2.295 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.191 -7.040 -3.847 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.293 -5.643 -3.821 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.259 -4.118 -1.609 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.322 -3.330 -3.095 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.401 -3.246 -2.659 1.00 0.00 H new ATOM 950 N ASN A 68 0.378 -5.904 -6.446 1.00 0.00 N ATOM 951 CA ASN A 68 0.824 -6.925 -7.378 1.00 0.00 C ATOM 952 C ASN A 68 -0.364 -7.392 -8.222 1.00 0.00 C ATOM 953 O ASN A 68 -0.401 -8.538 -8.668 1.00 0.00 O ATOM 954 CB ASN A 68 1.383 -8.141 -6.637 1.00 0.00 C ATOM 955 CG ASN A 68 2.232 -9.009 -7.568 1.00 0.00 C ATOM 956 OD1 ASN A 68 3.332 -9.495 -7.000 1.00 0.00 O flip ATOM 957 ND2 ASN A 68 1.910 -9.221 -8.725 1.00 0.00 N flip ATOM 0 H ASN A 68 1.031 -5.132 -6.315 1.00 0.00 H new ATOM 0 HA ASN A 68 1.605 -6.493 -8.003 1.00 0.00 H new ATOM 0 HB2 ASN A 68 1.987 -7.810 -5.792 1.00 0.00 H new ATOM 0 HB3 ASN A 68 0.562 -8.732 -6.231 1.00 0.00 H new ATOM 0 HD21 ASN A 68 1.051 -8.816 -9.098 1.00 0.00 H new ATOM 0 HD22 ASN A 68 2.500 -9.803 -9.320 1.00 0.00 H new ATOM 964 N GLY A 69 -1.305 -6.480 -8.417 1.00 0.00 N ATOM 965 CA GLY A 69 -2.491 -6.784 -9.200 1.00 0.00 C ATOM 966 C GLY A 69 -3.477 -7.633 -8.395 1.00 0.00 C ATOM 967 O GLY A 69 -3.896 -8.698 -8.846 1.00 0.00 O ATOM 0 H GLY A 69 -1.270 -5.530 -8.046 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.973 -5.857 -9.511 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.205 -7.315 -10.108 1.00 0.00 H new ATOM 971 N VAL A 70 -3.818 -7.131 -7.217 1.00 0.00 N ATOM 972 CA VAL A 70 -4.746 -7.830 -6.346 1.00 0.00 C ATOM 973 C VAL A 70 -5.849 -6.866 -5.904 1.00 0.00 C ATOM 974 O VAL A 70 -5.604 -5.673 -5.732 1.00 0.00 O ATOM 975 CB VAL A 70 -3.992 -8.454 -5.170 1.00 0.00 C ATOM 976 CG1 VAL A 70 -3.719 -7.415 -4.080 1.00 0.00 C ATOM 977 CG2 VAL A 70 -4.753 -9.655 -4.605 1.00 0.00 C ATOM 0 H VAL A 70 -3.468 -6.248 -6.846 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.225 -8.651 -6.880 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.031 -8.811 -5.540 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.182 -7.885 -3.256 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.116 -6.606 -4.492 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.664 -7.013 -3.715 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.195 -10.079 -3.770 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.735 -9.333 -4.259 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.872 -10.409 -5.383 1.00 0.00 H new ATOM 987 N ASN A 71 -7.041 -7.419 -5.733 1.00 0.00 N ATOM 988 CA ASN A 71 -8.183 -6.624 -5.315 1.00 0.00 C ATOM 989 C ASN A 71 -8.241 -6.587 -3.786 1.00 0.00 C ATOM 990 O ASN A 71 -8.508 -7.604 -3.147 1.00 0.00 O ATOM 991 CB ASN A 71 -9.492 -7.229 -5.823 1.00 0.00 C ATOM 992 CG ASN A 71 -10.540 -6.141 -6.070 1.00 0.00 C ATOM 993 OD1 ASN A 71 -11.526 -6.020 -5.362 1.00 0.00 O ATOM 994 ND2 ASN A 71 -10.272 -5.359 -7.112 1.00 0.00 N ATOM 0 H ASN A 71 -7.241 -8.409 -5.877 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.065 -5.622 -5.728 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -9.309 -7.778 -6.746 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -9.872 -7.946 -5.095 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -10.910 -4.603 -7.360 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -9.428 -5.515 -7.663 1.00 0.00 H new ATOM 1001 N LEU A 72 -7.987 -5.405 -3.244 1.00 0.00 N ATOM 1002 CA LEU A 72 -8.007 -5.223 -1.803 1.00 0.00 C ATOM 1003 C LEU A 72 -8.997 -4.112 -1.447 1.00 0.00 C ATOM 1004 O LEU A 72 -9.129 -3.743 -0.281 1.00 0.00 O ATOM 1005 CB LEU A 72 -6.592 -4.978 -1.274 1.00 0.00 C ATOM 1006 CG LEU A 72 -5.535 -6.004 -1.687 1.00 0.00 C ATOM 1007 CD1 LEU A 72 -4.124 -5.462 -1.450 1.00 0.00 C ATOM 1008 CD2 LEU A 72 -5.762 -7.341 -0.978 1.00 0.00 C ATOM 0 H LEU A 72 -7.766 -4.564 -3.777 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.355 -6.131 -1.310 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.265 -3.994 -1.610 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.633 -4.946 -0.185 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.635 -6.186 -2.757 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.391 -6.211 -1.752 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.979 -4.555 -2.037 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.995 -5.234 -0.392 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.997 -8.052 -1.289 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.705 -7.195 0.101 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.746 -7.729 -1.240 1.00 0.00 H new ATOM 1020 N ARG A 73 -9.669 -3.611 -2.474 1.00 0.00 N ATOM 1021 CA ARG A 73 -10.643 -2.550 -2.284 1.00 0.00 C ATOM 1022 C ARG A 73 -11.431 -2.777 -0.992 1.00 0.00 C ATOM 1023 O ARG A 73 -11.393 -1.949 -0.084 1.00 0.00 O ATOM 1024 CB ARG A 73 -11.617 -2.480 -3.462 1.00 0.00 C ATOM 1025 CG ARG A 73 -11.217 -1.373 -4.439 1.00 0.00 C ATOM 1026 CD ARG A 73 -11.681 -1.702 -5.860 1.00 0.00 C ATOM 1027 NE ARG A 73 -13.148 -1.530 -5.965 1.00 0.00 N ATOM 1028 CZ ARG A 73 -13.844 -1.694 -7.098 1.00 0.00 C ATOM 1029 NH1 ARG A 73 -13.211 -2.036 -8.229 1.00 0.00 N ATOM 1030 NH2 ARG A 73 -15.172 -1.517 -7.101 1.00 0.00 N ATOM 0 H ARG A 73 -9.558 -3.920 -3.440 1.00 0.00 H new ATOM 0 HA ARG A 73 -10.099 -1.608 -2.220 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -11.635 -3.439 -3.981 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -12.626 -2.297 -3.094 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -11.653 -0.426 -4.120 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -10.135 -1.245 -4.426 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -11.178 -1.052 -6.576 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -11.407 -2.726 -6.113 1.00 0.00 H new ATOM 0 HE ARG A 73 -13.661 -1.270 -5.122 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -12.200 -2.171 -8.227 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -13.740 -2.161 -9.092 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -15.654 -1.257 -6.240 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -15.701 -1.642 -7.964 1.00 0.00 H new ATOM 1044 N ASN A 74 -12.126 -3.904 -0.951 1.00 0.00 N ATOM 1045 CA ASN A 74 -12.921 -4.251 0.214 1.00 0.00 C ATOM 1046 C ASN A 74 -12.243 -5.398 0.966 1.00 0.00 C ATOM 1047 O ASN A 74 -12.910 -6.323 1.427 1.00 0.00 O ATOM 1048 CB ASN A 74 -14.321 -4.715 -0.193 1.00 0.00 C ATOM 1049 CG ASN A 74 -15.261 -3.522 -0.382 1.00 0.00 C ATOM 1050 OD1 ASN A 74 -14.848 -2.416 -0.689 1.00 0.00 O ATOM 1051 ND2 ASN A 74 -16.544 -3.808 -0.182 1.00 0.00 N ATOM 0 H ASN A 74 -12.155 -4.589 -1.706 1.00 0.00 H new ATOM 0 HA ASN A 74 -13.003 -3.364 0.842 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.263 -5.287 -1.119 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -14.723 -5.382 0.570 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -17.251 -3.080 -0.284 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -16.821 -4.756 0.073 1.00 0.00 H new ATOM 1058 N ALA A 75 -10.926 -5.300 1.068 1.00 0.00 N ATOM 1059 CA ALA A 75 -10.150 -6.317 1.756 1.00 0.00 C ATOM 1060 C ALA A 75 -9.840 -5.842 3.177 1.00 0.00 C ATOM 1061 O ALA A 75 -10.013 -4.666 3.493 1.00 0.00 O ATOM 1062 CB ALA A 75 -8.884 -6.623 0.954 1.00 0.00 C ATOM 0 H ALA A 75 -10.376 -4.531 0.685 1.00 0.00 H new ATOM 0 HA ALA A 75 -10.717 -7.244 1.835 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -8.302 -7.386 1.470 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -9.159 -6.985 -0.037 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -8.287 -5.716 0.856 1.00 0.00 H new ATOM 1068 N THR A 76 -9.388 -6.781 3.995 1.00 0.00 N ATOM 1069 CA THR A 76 -9.053 -6.473 5.375 1.00 0.00 C ATOM 1070 C THR A 76 -7.635 -5.905 5.465 1.00 0.00 C ATOM 1071 O THR A 76 -7.059 -5.501 4.456 1.00 0.00 O ATOM 1072 CB THR A 76 -9.252 -7.742 6.205 1.00 0.00 C ATOM 1073 OG1 THR A 76 -8.210 -8.610 5.768 1.00 0.00 O ATOM 1074 CG2 THR A 76 -10.537 -8.487 5.836 1.00 0.00 C ATOM 0 H THR A 76 -9.246 -7.755 3.729 1.00 0.00 H new ATOM 0 HA THR A 76 -9.707 -5.699 5.777 1.00 0.00 H new ATOM 0 HB THR A 76 -9.273 -7.484 7.264 1.00 0.00 H new ATOM 0 HG1 THR A 76 -8.264 -9.458 6.257 1.00 0.00 H new ATOM 0 HG21 THR A 76 -10.630 -9.380 6.454 1.00 0.00 H new ATOM 0 HG22 THR A 76 -11.396 -7.837 6.005 1.00 0.00 H new ATOM 0 HG23 THR A 76 -10.502 -8.775 4.785 1.00 0.00 H new ATOM 1082 N HIS A 77 -7.113 -5.892 6.683 1.00 0.00 N ATOM 1083 CA HIS A 77 -5.774 -5.380 6.918 1.00 0.00 C ATOM 1084 C HIS A 77 -4.745 -6.465 6.590 1.00 0.00 C ATOM 1085 O HIS A 77 -3.748 -6.198 5.921 1.00 0.00 O ATOM 1086 CB HIS A 77 -5.638 -4.847 8.345 1.00 0.00 C ATOM 1087 CG HIS A 77 -4.318 -4.170 8.625 1.00 0.00 C ATOM 1088 ND1 HIS A 77 -3.867 -3.907 9.907 1.00 0.00 N ATOM 1089 CD2 HIS A 77 -3.357 -3.706 7.776 1.00 0.00 C ATOM 1090 CE1 HIS A 77 -2.687 -3.311 9.822 1.00 0.00 C ATOM 1091 NE2 HIS A 77 -2.373 -3.187 8.500 1.00 0.00 N ATOM 0 H HIS A 77 -7.594 -6.228 7.518 1.00 0.00 H new ATOM 0 HA HIS A 77 -5.583 -4.534 6.257 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -6.445 -4.140 8.536 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -5.766 -5.673 9.044 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -3.391 -3.753 6.698 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -2.080 -2.981 10.653 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -1.522 -2.765 8.129 1.00 0.00 H new ATOM 1099 N GLU A 78 -5.023 -7.665 7.077 1.00 0.00 N ATOM 1100 CA GLU A 78 -4.135 -8.791 6.845 1.00 0.00 C ATOM 1101 C GLU A 78 -4.123 -9.160 5.360 1.00 0.00 C ATOM 1102 O GLU A 78 -3.078 -9.509 4.812 1.00 0.00 O ATOM 1103 CB GLU A 78 -4.535 -9.992 7.705 1.00 0.00 C ATOM 1104 CG GLU A 78 -3.311 -10.830 8.079 1.00 0.00 C ATOM 1105 CD GLU A 78 -3.719 -12.071 8.875 1.00 0.00 C ATOM 1106 OE1 GLU A 78 -3.785 -11.952 10.118 1.00 0.00 O ATOM 1107 OE2 GLU A 78 -3.956 -13.111 8.223 1.00 0.00 O ATOM 0 H GLU A 78 -5.851 -7.882 7.632 1.00 0.00 H new ATOM 0 HA GLU A 78 -3.126 -8.498 7.135 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.034 -9.646 8.610 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.251 -10.610 7.163 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -2.782 -11.131 7.175 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.619 -10.227 8.667 1.00 0.00 H new ATOM 1114 N GLN A 79 -5.296 -9.071 4.751 1.00 0.00 N ATOM 1115 CA GLN A 79 -5.434 -9.391 3.341 1.00 0.00 C ATOM 1116 C GLN A 79 -4.524 -8.492 2.501 1.00 0.00 C ATOM 1117 O GLN A 79 -3.886 -8.957 1.558 1.00 0.00 O ATOM 1118 CB GLN A 79 -6.891 -9.270 2.890 1.00 0.00 C ATOM 1119 CG GLN A 79 -7.592 -10.630 2.929 1.00 0.00 C ATOM 1120 CD GLN A 79 -8.356 -10.889 1.629 1.00 0.00 C ATOM 1121 OE1 GLN A 79 -7.961 -11.687 0.795 1.00 0.00 O ATOM 1122 NE2 GLN A 79 -9.470 -10.173 1.504 1.00 0.00 N ATOM 0 H GLN A 79 -6.160 -8.782 5.209 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.127 -10.426 3.193 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -7.418 -8.567 3.535 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.930 -8.866 1.879 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.856 -11.418 3.086 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.281 -10.664 3.773 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.743 -9.522 2.240 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -10.051 -10.275 0.672 1.00 0.00 H new ATOM 1131 N ALA A 80 -4.493 -7.221 2.874 1.00 0.00 N ATOM 1132 CA ALA A 80 -3.672 -6.253 2.168 1.00 0.00 C ATOM 1133 C ALA A 80 -2.195 -6.569 2.411 1.00 0.00 C ATOM 1134 O ALA A 80 -1.350 -6.300 1.558 1.00 0.00 O ATOM 1135 CB ALA A 80 -4.048 -4.840 2.617 1.00 0.00 C ATOM 0 H ALA A 80 -5.024 -6.839 3.657 1.00 0.00 H new ATOM 0 HA ALA A 80 -3.849 -6.311 1.094 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -3.432 -4.114 2.087 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -5.099 -4.655 2.395 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -3.882 -4.743 3.690 1.00 0.00 H new ATOM 1141 N ALA A 81 -1.929 -7.137 3.578 1.00 0.00 N ATOM 1142 CA ALA A 81 -0.569 -7.493 3.944 1.00 0.00 C ATOM 1143 C ALA A 81 -0.185 -8.802 3.253 1.00 0.00 C ATOM 1144 O ALA A 81 0.905 -8.917 2.693 1.00 0.00 O ATOM 1145 CB ALA A 81 -0.457 -7.583 5.468 1.00 0.00 C ATOM 0 H ALA A 81 -2.632 -7.359 4.282 1.00 0.00 H new ATOM 0 HA ALA A 81 0.131 -6.727 3.610 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.563 -7.850 5.743 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.711 -6.619 5.909 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -1.144 -8.344 5.839 1.00 0.00 H new ATOM 1151 N ALA A 82 -1.101 -9.757 3.314 1.00 0.00 N ATOM 1152 CA ALA A 82 -0.872 -11.054 2.700 1.00 0.00 C ATOM 1153 C ALA A 82 -0.581 -10.865 1.210 1.00 0.00 C ATOM 1154 O ALA A 82 -0.049 -11.762 0.559 1.00 0.00 O ATOM 1155 CB ALA A 82 -2.083 -11.957 2.947 1.00 0.00 C ATOM 0 H ALA A 82 -2.003 -9.659 3.779 1.00 0.00 H new ATOM 0 HA ALA A 82 -0.005 -11.541 3.146 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.911 -12.930 2.486 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.229 -12.084 4.020 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -2.972 -11.501 2.511 1.00 0.00 H new ATOM 1161 N ALA A 83 -0.942 -9.690 0.714 1.00 0.00 N ATOM 1162 CA ALA A 83 -0.725 -9.371 -0.687 1.00 0.00 C ATOM 1163 C ALA A 83 0.710 -8.876 -0.877 1.00 0.00 C ATOM 1164 O ALA A 83 1.210 -8.827 -2.000 1.00 0.00 O ATOM 1165 CB ALA A 83 -1.762 -8.343 -1.143 1.00 0.00 C ATOM 0 H ALA A 83 -1.383 -8.948 1.257 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.852 -10.259 -1.307 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.599 -8.104 -2.194 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.763 -8.755 -1.015 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.664 -7.437 -0.545 1.00 0.00 H new ATOM 1171 N LEU A 84 1.332 -8.521 0.238 1.00 0.00 N ATOM 1172 CA LEU A 84 2.700 -8.031 0.208 1.00 0.00 C ATOM 1173 C LEU A 84 3.657 -9.184 0.517 1.00 0.00 C ATOM 1174 O LEU A 84 4.854 -9.090 0.252 1.00 0.00 O ATOM 1175 CB LEU A 84 2.860 -6.832 1.144 1.00 0.00 C ATOM 1176 CG LEU A 84 2.582 -5.459 0.529 1.00 0.00 C ATOM 1177 CD1 LEU A 84 3.247 -5.328 -0.842 1.00 0.00 C ATOM 1178 CD2 LEU A 84 1.079 -5.180 0.466 1.00 0.00 C ATOM 0 H LEU A 84 0.914 -8.563 1.168 1.00 0.00 H new ATOM 0 HA LEU A 84 2.952 -7.665 -0.787 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.192 -6.969 1.995 1.00 0.00 H new ATOM 0 HB3 LEU A 84 3.878 -6.834 1.534 1.00 0.00 H new ATOM 0 HG LEU A 84 3.023 -4.700 1.175 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.034 -4.343 -1.257 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.325 -5.452 -0.737 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.857 -6.096 -1.510 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.909 -4.198 0.025 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.593 -5.941 -0.145 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.662 -5.202 1.473 1.00 0.00 H new ATOM 1190 N LYS A 85 3.093 -10.246 1.073 1.00 0.00 N ATOM 1191 CA LYS A 85 3.881 -11.416 1.421 1.00 0.00 C ATOM 1192 C LYS A 85 3.872 -12.399 0.249 1.00 0.00 C ATOM 1193 O LYS A 85 4.700 -13.306 0.188 1.00 0.00 O ATOM 1194 CB LYS A 85 3.387 -12.023 2.736 1.00 0.00 C ATOM 1195 CG LYS A 85 4.041 -11.336 3.937 1.00 0.00 C ATOM 1196 CD LYS A 85 3.122 -10.261 4.520 1.00 0.00 C ATOM 1197 CE LYS A 85 3.875 -9.380 5.519 1.00 0.00 C ATOM 1198 NZ LYS A 85 4.080 -10.101 6.795 1.00 0.00 N ATOM 0 H LYS A 85 2.099 -10.321 1.291 1.00 0.00 H new ATOM 0 HA LYS A 85 4.920 -11.137 1.596 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.303 -11.924 2.802 1.00 0.00 H new ATOM 0 HB3 LYS A 85 3.612 -13.089 2.756 1.00 0.00 H new ATOM 0 HG2 LYS A 85 4.272 -12.076 4.703 1.00 0.00 H new ATOM 0 HG3 LYS A 85 4.986 -10.886 3.633 1.00 0.00 H new ATOM 0 HD2 LYS A 85 2.721 -9.644 3.715 1.00 0.00 H new ATOM 0 HD3 LYS A 85 2.272 -10.732 5.014 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.838 -9.088 5.101 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.314 -8.463 5.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 4.592 -9.489 7.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 3.157 -10.358 7.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 4.634 -10.964 6.621 1.00 0.00 H new ATOM 1212 N ARG A 86 2.925 -12.185 -0.654 1.00 0.00 N ATOM 1213 CA ARG A 86 2.798 -13.041 -1.821 1.00 0.00 C ATOM 1214 C ARG A 86 3.558 -12.440 -3.006 1.00 0.00 C ATOM 1215 O ARG A 86 3.812 -13.123 -3.996 1.00 0.00 O ATOM 1216 CB ARG A 86 1.329 -13.228 -2.209 1.00 0.00 C ATOM 1217 CG ARG A 86 0.791 -11.993 -2.933 1.00 0.00 C ATOM 1218 CD ARG A 86 0.596 -12.273 -4.424 1.00 0.00 C ATOM 1219 NE ARG A 86 -0.769 -11.880 -4.839 1.00 0.00 N ATOM 1220 CZ ARG A 86 -1.872 -12.585 -4.555 1.00 0.00 C ATOM 1221 NH1 ARG A 86 -1.778 -13.723 -3.853 1.00 0.00 N ATOM 1222 NH2 ARG A 86 -3.070 -12.153 -4.971 1.00 0.00 N ATOM 0 H ARG A 86 2.239 -11.432 -0.600 1.00 0.00 H new ATOM 0 HA ARG A 86 3.223 -14.012 -1.567 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.227 -14.103 -2.851 1.00 0.00 H new ATOM 0 HB3 ARG A 86 0.735 -13.418 -1.315 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.158 -11.691 -2.489 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.483 -11.161 -2.803 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.335 -11.721 -5.006 1.00 0.00 H new ATOM 0 HD3 ARG A 86 0.756 -13.332 -4.627 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.877 -11.019 -5.375 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.866 -14.052 -3.535 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -2.618 -14.260 -3.637 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.143 -11.287 -5.504 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -3.909 -12.690 -4.754 1.00 0.00 H new ATOM 1236 N ALA A 87 3.899 -11.167 -2.864 1.00 0.00 N ATOM 1237 CA ALA A 87 4.625 -10.467 -3.910 1.00 0.00 C ATOM 1238 C ALA A 87 6.069 -10.971 -3.949 1.00 0.00 C ATOM 1239 O ALA A 87 6.323 -12.154 -3.725 1.00 0.00 O ATOM 1240 CB ALA A 87 4.541 -8.958 -3.668 1.00 0.00 C ATOM 0 H ALA A 87 3.686 -10.603 -2.041 1.00 0.00 H new ATOM 0 HA ALA A 87 4.180 -10.667 -4.885 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.086 -8.433 -4.453 1.00 0.00 H new ATOM 0 HB2 ALA A 87 3.497 -8.645 -3.679 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.981 -8.720 -2.699 1.00 0.00 H new ATOM 1246 N GLY A 88 6.976 -10.049 -4.234 1.00 0.00 N ATOM 1247 CA GLY A 88 8.388 -10.386 -4.305 1.00 0.00 C ATOM 1248 C GLY A 88 9.240 -9.134 -4.527 1.00 0.00 C ATOM 1249 O GLY A 88 8.918 -8.062 -4.018 1.00 0.00 O ATOM 0 H GLY A 88 6.761 -9.069 -4.418 1.00 0.00 H new ATOM 0 HA2 GLY A 88 8.694 -10.880 -3.383 1.00 0.00 H new ATOM 0 HA3 GLY A 88 8.556 -11.094 -5.117 1.00 0.00 H new ATOM 1253 N GLN A 89 10.310 -9.313 -5.287 1.00 0.00 N ATOM 1254 CA GLN A 89 11.211 -8.212 -5.582 1.00 0.00 C ATOM 1255 C GLN A 89 10.453 -7.077 -6.274 1.00 0.00 C ATOM 1256 O GLN A 89 10.524 -5.926 -5.846 1.00 0.00 O ATOM 1257 CB GLN A 89 12.391 -8.682 -6.434 1.00 0.00 C ATOM 1258 CG GLN A 89 13.651 -8.849 -5.581 1.00 0.00 C ATOM 1259 CD GLN A 89 14.909 -8.544 -6.397 1.00 0.00 C ATOM 1260 OE1 GLN A 89 15.309 -9.293 -7.272 1.00 0.00 O ATOM 1261 NE2 GLN A 89 15.508 -7.405 -6.061 1.00 0.00 N ATOM 0 H GLN A 89 10.573 -10.204 -5.708 1.00 0.00 H new ATOM 0 HA GLN A 89 11.612 -7.835 -4.641 1.00 0.00 H new ATOM 0 HB2 GLN A 89 12.144 -9.629 -6.913 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.579 -7.962 -7.230 1.00 0.00 H new ATOM 0 HG2 GLN A 89 13.602 -8.184 -4.719 1.00 0.00 H new ATOM 0 HG3 GLN A 89 13.701 -9.867 -5.195 1.00 0.00 H new ATOM 0 HE21 GLN A 89 15.119 -6.824 -5.318 1.00 0.00 H new ATOM 0 HE22 GLN A 89 16.356 -7.112 -6.546 1.00 0.00 H new ATOM 1270 N SER A 90 9.743 -7.442 -7.332 1.00 0.00 N ATOM 1271 CA SER A 90 8.972 -6.469 -8.087 1.00 0.00 C ATOM 1272 C SER A 90 7.494 -6.561 -7.705 1.00 0.00 C ATOM 1273 O SER A 90 6.808 -7.508 -8.088 1.00 0.00 O ATOM 1274 CB SER A 90 9.145 -6.679 -9.593 1.00 0.00 C ATOM 1275 OG SER A 90 9.548 -8.010 -9.904 1.00 0.00 O ATOM 0 H SER A 90 9.686 -8.398 -7.684 1.00 0.00 H new ATOM 0 HA SER A 90 9.342 -5.474 -7.841 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.206 -6.457 -10.100 1.00 0.00 H new ATOM 0 HB3 SER A 90 9.887 -5.977 -9.974 1.00 0.00 H new ATOM 0 HG SER A 90 9.646 -8.104 -10.875 1.00 0.00 H new ATOM 1281 N VAL A 91 7.047 -5.566 -6.953 1.00 0.00 N ATOM 1282 CA VAL A 91 5.662 -5.523 -6.514 1.00 0.00 C ATOM 1283 C VAL A 91 5.010 -4.236 -7.023 1.00 0.00 C ATOM 1284 O VAL A 91 5.519 -3.142 -6.785 1.00 0.00 O ATOM 1285 CB VAL A 91 5.591 -5.669 -4.993 1.00 0.00 C ATOM 1286 CG1 VAL A 91 4.182 -6.064 -4.545 1.00 0.00 C ATOM 1287 CG2 VAL A 91 6.628 -6.674 -4.489 1.00 0.00 C ATOM 0 H VAL A 91 7.619 -4.783 -6.636 1.00 0.00 H new ATOM 0 HA VAL A 91 5.102 -6.359 -6.934 1.00 0.00 H new ATOM 0 HB VAL A 91 5.823 -4.699 -4.553 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.159 -6.161 -3.460 1.00 0.00 H new ATOM 0 HG12 VAL A 91 3.473 -5.297 -4.856 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.909 -7.016 -5.000 1.00 0.00 H new ATOM 0 HG21 VAL A 91 6.556 -6.759 -3.405 1.00 0.00 H new ATOM 0 HG22 VAL A 91 6.441 -7.648 -4.942 1.00 0.00 H new ATOM 0 HG23 VAL A 91 7.627 -6.333 -4.761 1.00 0.00 H new ATOM 1297 N THR A 92 3.893 -4.410 -7.714 1.00 0.00 N ATOM 1298 CA THR A 92 3.166 -3.276 -8.259 1.00 0.00 C ATOM 1299 C THR A 92 2.056 -2.843 -7.298 1.00 0.00 C ATOM 1300 O THR A 92 0.990 -3.455 -7.259 1.00 0.00 O ATOM 1301 CB THR A 92 2.651 -3.666 -9.646 1.00 0.00 C ATOM 1302 OG1 THR A 92 3.830 -4.001 -10.372 1.00 0.00 O ATOM 1303 CG2 THR A 92 2.068 -2.476 -10.410 1.00 0.00 C ATOM 0 H THR A 92 3.474 -5.319 -7.909 1.00 0.00 H new ATOM 0 HA THR A 92 3.814 -2.407 -8.370 1.00 0.00 H new ATOM 0 HB THR A 92 1.891 -4.441 -9.546 1.00 0.00 H new ATOM 0 HG1 THR A 92 3.588 -4.268 -11.283 1.00 0.00 H new ATOM 0 HG21 THR A 92 1.717 -2.808 -11.387 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.234 -2.056 -9.848 1.00 0.00 H new ATOM 0 HG23 THR A 92 2.837 -1.715 -10.540 1.00 0.00 H new ATOM 1311 N ILE A 93 2.345 -1.791 -6.547 1.00 0.00 N ATOM 1312 CA ILE A 93 1.385 -1.269 -5.589 1.00 0.00 C ATOM 1313 C ILE A 93 0.604 -0.121 -6.231 1.00 0.00 C ATOM 1314 O ILE A 93 1.171 0.928 -6.535 1.00 0.00 O ATOM 1315 CB ILE A 93 2.085 -0.882 -4.285 1.00 0.00 C ATOM 1316 CG1 ILE A 93 2.593 -2.123 -3.547 1.00 0.00 C ATOM 1317 CG2 ILE A 93 1.172 -0.027 -3.405 1.00 0.00 C ATOM 1318 CD1 ILE A 93 4.059 -2.400 -3.886 1.00 0.00 C ATOM 0 H ILE A 93 3.230 -1.286 -6.582 1.00 0.00 H new ATOM 0 HA ILE A 93 0.660 -2.037 -5.319 1.00 0.00 H new ATOM 0 HB ILE A 93 2.955 -0.274 -4.532 1.00 0.00 H new ATOM 0 HG12 ILE A 93 2.485 -1.981 -2.472 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.984 -2.986 -3.817 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.694 0.234 -2.485 1.00 0.00 H new ATOM 0 HG22 ILE A 93 0.901 0.884 -3.939 1.00 0.00 H new ATOM 0 HG23 ILE A 93 0.270 -0.589 -3.163 1.00 0.00 H new ATOM 0 HD11 ILE A 93 4.395 -3.287 -3.349 1.00 0.00 H new ATOM 0 HD12 ILE A 93 4.159 -2.566 -4.959 1.00 0.00 H new ATOM 0 HD13 ILE A 93 4.668 -1.545 -3.592 1.00 0.00 H new ATOM 1330 N VAL A 94 -0.687 -0.357 -6.419 1.00 0.00 N ATOM 1331 CA VAL A 94 -1.552 0.644 -7.019 1.00 0.00 C ATOM 1332 C VAL A 94 -2.389 1.310 -5.925 1.00 0.00 C ATOM 1333 O VAL A 94 -3.381 0.745 -5.467 1.00 0.00 O ATOM 1334 CB VAL A 94 -2.403 0.008 -8.120 1.00 0.00 C ATOM 1335 CG1 VAL A 94 -3.233 1.066 -8.851 1.00 0.00 C ATOM 1336 CG2 VAL A 94 -1.532 -0.779 -9.100 1.00 0.00 C ATOM 0 H VAL A 94 -1.154 -1.228 -6.166 1.00 0.00 H new ATOM 0 HA VAL A 94 -0.960 1.425 -7.496 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.093 -0.692 -7.649 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.829 0.588 -9.629 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.894 1.564 -8.142 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -2.568 1.801 -9.304 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -2.161 -1.221 -9.872 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -0.807 -0.109 -9.562 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -1.005 -1.569 -8.565 1.00 0.00 H new ATOM 1346 N ALA A 95 -1.959 2.502 -5.538 1.00 0.00 N ATOM 1347 CA ALA A 95 -2.656 3.251 -4.507 1.00 0.00 C ATOM 1348 C ALA A 95 -3.066 4.616 -5.063 1.00 0.00 C ATOM 1349 O ALA A 95 -2.525 5.067 -6.071 1.00 0.00 O ATOM 1350 CB ALA A 95 -1.764 3.369 -3.269 1.00 0.00 C ATOM 0 H ALA A 95 -1.136 2.968 -5.920 1.00 0.00 H new ATOM 0 HA ALA A 95 -3.565 2.732 -4.205 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.287 3.931 -2.496 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -1.526 2.373 -2.896 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -0.842 3.887 -3.533 1.00 0.00 H new ATOM 1356 N GLN A 96 -4.018 5.236 -4.381 1.00 0.00 N ATOM 1357 CA GLN A 96 -4.506 6.540 -4.794 1.00 0.00 C ATOM 1358 C GLN A 96 -4.245 7.576 -3.698 1.00 0.00 C ATOM 1359 O GLN A 96 -4.831 7.505 -2.619 1.00 0.00 O ATOM 1360 CB GLN A 96 -5.993 6.482 -5.150 1.00 0.00 C ATOM 1361 CG GLN A 96 -6.862 6.586 -3.895 1.00 0.00 C ATOM 1362 CD GLN A 96 -8.274 6.060 -4.160 1.00 0.00 C ATOM 1363 OE1 GLN A 96 -8.930 5.505 -3.294 1.00 0.00 O ATOM 1364 NE2 GLN A 96 -8.703 6.264 -5.402 1.00 0.00 N ATOM 0 H GLN A 96 -4.464 4.859 -3.545 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.963 6.842 -5.690 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -6.238 7.294 -5.835 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -6.210 5.549 -5.670 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -6.405 6.019 -3.084 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -6.912 7.625 -3.568 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -8.102 6.736 -6.078 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -9.633 5.949 -5.679 1.00 0.00 H new ATOM 1373 N TYR A 97 -3.365 8.515 -4.014 1.00 0.00 N ATOM 1374 CA TYR A 97 -3.020 9.564 -3.070 1.00 0.00 C ATOM 1375 C TYR A 97 -4.275 10.253 -2.531 1.00 0.00 C ATOM 1376 O TYR A 97 -4.823 11.146 -3.175 1.00 0.00 O ATOM 1377 CB TYR A 97 -2.192 10.583 -3.856 1.00 0.00 C ATOM 1378 CG TYR A 97 -1.196 11.368 -3.001 1.00 0.00 C ATOM 1379 CD1 TYR A 97 -1.431 11.542 -1.652 1.00 0.00 C ATOM 1380 CD2 TYR A 97 -0.062 11.903 -3.578 1.00 0.00 C ATOM 1381 CE1 TYR A 97 -0.494 12.281 -0.847 1.00 0.00 C ATOM 1382 CE2 TYR A 97 0.876 12.642 -2.772 1.00 0.00 C ATOM 1383 CZ TYR A 97 0.613 12.795 -1.447 1.00 0.00 C ATOM 1384 OH TYR A 97 1.499 13.493 -0.686 1.00 0.00 O ATOM 0 H TYR A 97 -2.881 8.571 -4.910 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.478 9.151 -2.219 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -1.648 10.063 -4.644 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.868 11.285 -4.345 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -2.318 11.124 -1.200 1.00 0.00 H new ATOM 0 HD2 TYR A 97 0.122 11.768 -4.634 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -0.666 12.424 0.210 1.00 0.00 H new ATOM 0 HE2 TYR A 97 1.768 13.065 -3.210 1.00 0.00 H new ATOM 0 HH TYR A 97 2.242 13.800 -1.247 1.00 0.00 H new ATOM 1394 N ARG A 98 -4.695 9.810 -1.355 1.00 0.00 N ATOM 1395 CA ARG A 98 -5.876 10.373 -0.722 1.00 0.00 C ATOM 1396 C ARG A 98 -5.631 10.575 0.774 1.00 0.00 C ATOM 1397 O ARG A 98 -5.965 9.711 1.584 1.00 0.00 O ATOM 1398 CB ARG A 98 -7.091 9.462 -0.914 1.00 0.00 C ATOM 1399 CG ARG A 98 -8.394 10.256 -0.810 1.00 0.00 C ATOM 1400 CD ARG A 98 -9.401 9.799 -1.867 1.00 0.00 C ATOM 1401 NE ARG A 98 -9.785 8.391 -1.624 1.00 0.00 N ATOM 1402 CZ ARG A 98 -10.744 7.746 -2.303 1.00 0.00 C ATOM 1403 NH1 ARG A 98 -11.421 8.379 -3.271 1.00 0.00 N ATOM 1404 NH2 ARG A 98 -11.025 6.468 -2.015 1.00 0.00 N ATOM 0 H ARG A 98 -4.239 9.068 -0.824 1.00 0.00 H new ATOM 0 HA ARG A 98 -6.078 11.335 -1.194 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -7.035 8.975 -1.888 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -7.081 8.673 -0.162 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -8.823 10.130 0.184 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -8.187 11.319 -0.935 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -10.285 10.436 -1.838 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -8.967 9.900 -2.862 1.00 0.00 H new ATOM 0 HE ARG A 98 -9.289 7.879 -0.894 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -11.206 9.352 -3.491 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -12.151 7.888 -3.788 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -10.509 5.986 -1.279 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -11.755 5.977 -2.532 1.00 0.00 H new ATOM 1418 N PRO A 99 -5.034 11.752 1.105 1.00 0.00 N ATOM 1419 CA PRO A 99 -4.741 12.079 2.490 1.00 0.00 C ATOM 1420 C PRO A 99 -6.013 12.473 3.242 1.00 0.00 C ATOM 1421 O PRO A 99 -6.146 12.196 4.433 1.00 0.00 O ATOM 1422 CB PRO A 99 -3.719 13.202 2.421 1.00 0.00 C ATOM 1423 CG PRO A 99 -3.826 13.777 1.018 1.00 0.00 C ATOM 1424 CD PRO A 99 -4.625 12.798 0.173 1.00 0.00 C ATOM 0 HA PRO A 99 -4.344 11.231 3.047 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -3.925 13.964 3.172 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -2.714 12.828 2.614 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -4.316 14.750 1.041 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -2.835 13.929 0.591 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -5.489 13.282 -0.283 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -4.022 12.391 -0.639 1.00 0.00 H new ATOM 1432 N GLU A 100 -6.918 13.113 2.516 1.00 0.00 N ATOM 1433 CA GLU A 100 -8.175 13.548 3.099 1.00 0.00 C ATOM 1434 C GLU A 100 -8.839 12.393 3.851 1.00 0.00 C ATOM 1435 O GLU A 100 -9.496 12.605 4.869 1.00 0.00 O ATOM 1436 CB GLU A 100 -9.109 14.115 2.029 1.00 0.00 C ATOM 1437 CG GLU A 100 -8.485 15.334 1.346 1.00 0.00 C ATOM 1438 CD GLU A 100 -9.544 16.398 1.048 1.00 0.00 C ATOM 1439 OE1 GLU A 100 -10.682 15.992 0.727 1.00 0.00 O ATOM 1440 OE2 GLU A 100 -9.191 17.593 1.148 1.00 0.00 O ATOM 0 H GLU A 100 -6.805 13.341 1.528 1.00 0.00 H new ATOM 0 HA GLU A 100 -7.966 14.346 3.811 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -9.324 13.348 1.285 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -10.060 14.395 2.483 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -7.710 15.756 1.985 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -8.001 15.028 0.419 1.00 0.00 H new ATOM 1447 N GLU A 101 -8.646 11.194 3.319 1.00 0.00 N ATOM 1448 CA GLU A 101 -9.218 10.005 3.927 1.00 0.00 C ATOM 1449 C GLU A 101 -8.360 9.547 5.107 1.00 0.00 C ATOM 1450 O GLU A 101 -8.834 9.498 6.242 1.00 0.00 O ATOM 1451 CB GLU A 101 -9.376 8.885 2.896 1.00 0.00 C ATOM 1452 CG GLU A 101 -10.640 9.085 2.058 1.00 0.00 C ATOM 1453 CD GLU A 101 -11.780 8.200 2.565 1.00 0.00 C ATOM 1454 OE1 GLU A 101 -11.742 6.990 2.253 1.00 0.00 O ATOM 1455 OE2 GLU A 101 -12.665 8.753 3.253 1.00 0.00 O ATOM 0 H GLU A 101 -8.102 11.021 2.474 1.00 0.00 H new ATOM 0 HA GLU A 101 -10.211 10.253 4.301 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -8.503 8.861 2.244 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -9.421 7.922 3.404 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -10.943 10.131 2.095 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -10.430 8.851 1.014 1.00 0.00 H new ATOM 1462 N TYR A 102 -7.113 9.223 4.801 1.00 0.00 N ATOM 1463 CA TYR A 102 -6.184 8.770 5.823 1.00 0.00 C ATOM 1464 C TYR A 102 -6.034 9.816 6.929 1.00 0.00 C ATOM 1465 O TYR A 102 -5.553 9.508 8.019 1.00 0.00 O ATOM 1466 CB TYR A 102 -4.837 8.593 5.120 1.00 0.00 C ATOM 1467 CG TYR A 102 -3.694 8.196 6.056 1.00 0.00 C ATOM 1468 CD1 TYR A 102 -3.664 6.934 6.613 1.00 0.00 C ATOM 1469 CD2 TYR A 102 -2.692 9.101 6.344 1.00 0.00 C ATOM 1470 CE1 TYR A 102 -2.588 6.561 7.494 1.00 0.00 C ATOM 1471 CE2 TYR A 102 -1.616 8.728 7.225 1.00 0.00 C ATOM 1472 CZ TYR A 102 -1.617 7.476 7.757 1.00 0.00 C ATOM 1473 OH TYR A 102 -0.601 7.124 8.589 1.00 0.00 O ATOM 0 H TYR A 102 -6.723 9.265 3.859 1.00 0.00 H new ATOM 0 HA TYR A 102 -6.540 7.848 6.284 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -4.940 7.832 4.346 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -4.575 9.525 4.619 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -4.448 6.226 6.388 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -2.715 10.089 5.908 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -2.553 5.576 7.936 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -0.826 9.426 7.458 1.00 0.00 H new ATOM 0 HH TYR A 102 -0.912 6.433 9.211 1.00 0.00 H new ATOM 1483 N SER A 103 -6.456 11.032 6.612 1.00 0.00 N ATOM 1484 CA SER A 103 -6.374 12.125 7.565 1.00 0.00 C ATOM 1485 C SER A 103 -6.767 11.633 8.960 1.00 0.00 C ATOM 1486 O SER A 103 -6.092 11.938 9.942 1.00 0.00 O ATOM 1487 CB SER A 103 -7.269 13.292 7.143 1.00 0.00 C ATOM 1488 OG SER A 103 -6.937 14.495 7.831 1.00 0.00 O ATOM 0 H SER A 103 -6.856 11.284 5.708 1.00 0.00 H new ATOM 0 HA SER A 103 -5.344 12.482 7.589 1.00 0.00 H new ATOM 0 HB2 SER A 103 -7.175 13.451 6.069 1.00 0.00 H new ATOM 0 HB3 SER A 103 -8.311 13.039 7.338 1.00 0.00 H new ATOM 0 HG SER A 103 -7.529 15.217 7.533 1.00 0.00 H new ATOM 1494 N ARG A 104 -7.856 10.879 9.002 1.00 0.00 N ATOM 1495 CA ARG A 104 -8.346 10.342 10.260 1.00 0.00 C ATOM 1496 C ARG A 104 -7.246 9.541 10.960 1.00 0.00 C ATOM 1497 O ARG A 104 -7.027 9.698 12.160 1.00 0.00 O ATOM 1498 CB ARG A 104 -9.561 9.439 10.037 1.00 0.00 C ATOM 1499 CG ARG A 104 -9.249 8.341 9.019 1.00 0.00 C ATOM 1500 CD ARG A 104 -10.508 7.928 8.254 1.00 0.00 C ATOM 1501 NE ARG A 104 -10.140 7.380 6.930 1.00 0.00 N ATOM 1502 CZ ARG A 104 -11.027 6.986 6.006 1.00 0.00 C ATOM 1503 NH1 ARG A 104 -12.340 7.078 6.257 1.00 0.00 N ATOM 1504 NH2 ARG A 104 -10.601 6.501 4.832 1.00 0.00 N ATOM 0 H ARG A 104 -8.413 10.627 8.185 1.00 0.00 H new ATOM 0 HA ARG A 104 -8.642 11.183 10.887 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -9.862 8.988 10.983 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -10.403 10.036 9.687 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -8.493 8.694 8.318 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -8.829 7.475 9.530 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -11.061 7.182 8.824 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -11.167 8.788 8.130 1.00 0.00 H new ATOM 0 HE ARG A 104 -9.148 7.297 6.706 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -12.664 7.448 7.151 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -13.016 6.778 5.554 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -9.601 6.432 4.641 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -11.276 6.201 4.129 1.00 0.00 H new ATOM 1518 N PHE A 105 -6.583 8.700 10.180 1.00 0.00 N ATOM 1519 CA PHE A 105 -5.511 7.875 10.710 1.00 0.00 C ATOM 1520 C PHE A 105 -4.301 8.728 11.096 1.00 0.00 C ATOM 1521 O PHE A 105 -3.564 8.385 12.019 1.00 0.00 O ATOM 1522 CB PHE A 105 -5.102 6.905 9.599 1.00 0.00 C ATOM 1523 CG PHE A 105 -6.046 5.713 9.434 1.00 0.00 C ATOM 1524 CD1 PHE A 105 -6.291 4.889 10.489 1.00 0.00 C ATOM 1525 CD2 PHE A 105 -6.641 5.476 8.234 1.00 0.00 C ATOM 1526 CE1 PHE A 105 -7.168 3.783 10.336 1.00 0.00 C ATOM 1527 CE2 PHE A 105 -7.517 4.370 8.082 1.00 0.00 C ATOM 1528 CZ PHE A 105 -7.762 3.546 9.136 1.00 0.00 C ATOM 0 H PHE A 105 -6.768 8.572 9.185 1.00 0.00 H new ATOM 0 HA PHE A 105 -5.852 7.351 11.603 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -5.053 7.449 8.656 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -4.098 6.534 9.806 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -5.819 5.076 11.442 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -6.447 6.130 7.397 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -7.363 3.129 11.173 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -7.989 4.182 7.129 1.00 0.00 H new ATOM 0 HZ PHE A 105 -8.428 2.704 9.020 1.00 0.00 H new