USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 492 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 11 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -5.27! C(o=-5.3!,f=-11!) USER MOD Single : A 18 THR OG1 : rot 130:sc= -1.75! USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 THR OG1 : rot -52:sc= -2.55! USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.004) USER MOD Single : A 42 GLN : amide:sc=-0.00369 X(o=-0.0037,f=0) USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 48 GLN :FLIP amide:sc= -3.62! C(o=-4.6!,f=-3.6!) USER MOD Single : A 54 SER OG : rot -74:sc= -3.5! USER MOD Single : A 55 LYS NZ :NH3+ 169:sc= -0.141 (180deg=-0.218) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0742 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 190 N GLN A 11 2.688 12.106 -2.646 1.00 0.00 N ATOM 191 CA GLN A 11 2.323 12.010 -1.239 1.00 0.00 C ATOM 192 C GLN A 11 2.440 10.576 -0.733 1.00 0.00 C ATOM 193 O GLN A 11 2.976 10.332 0.348 1.00 0.00 O ATOM 194 CB GLN A 11 0.898 12.524 -1.029 1.00 0.00 C ATOM 195 CG GLN A 11 0.788 14.039 -1.088 1.00 0.00 C ATOM 196 CD GLN A 11 -0.646 14.524 -1.035 1.00 0.00 C ATOM 197 OE1 GLN A 11 -1.515 13.863 -0.469 1.00 0.00 O ATOM 198 NE2 GLN A 11 -0.900 15.687 -1.622 1.00 0.00 N ATOM 0 HA GLN A 11 3.017 12.628 -0.669 1.00 0.00 H new ATOM 0 HB2 GLN A 11 0.248 12.090 -1.788 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.534 12.178 -0.062 1.00 0.00 H new ATOM 0 HG2 GLN A 11 1.345 14.472 -0.257 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.255 14.398 -2.005 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -0.148 16.202 -2.080 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -1.847 16.066 -1.615 1.00 0.00 H new ATOM 207 N ILE A 12 1.930 9.630 -1.514 1.00 0.00 N ATOM 208 CA ILE A 12 1.984 8.220 -1.138 1.00 0.00 C ATOM 209 C ILE A 12 3.403 7.687 -1.267 1.00 0.00 C ATOM 210 O ILE A 12 3.908 7.006 -0.374 1.00 0.00 O ATOM 211 CB ILE A 12 1.043 7.344 -1.999 1.00 0.00 C ATOM 212 CG1 ILE A 12 -0.181 8.149 -2.468 1.00 0.00 C ATOM 213 CG2 ILE A 12 0.614 6.124 -1.220 1.00 0.00 C ATOM 214 CD1 ILE A 12 -1.291 7.304 -3.057 1.00 0.00 C ATOM 0 H ILE A 12 1.476 9.812 -2.409 1.00 0.00 H new ATOM 0 HA ILE A 12 1.652 8.163 -0.101 1.00 0.00 H new ATOM 0 HB ILE A 12 1.588 7.019 -2.885 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.577 8.712 -1.623 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.141 8.877 -3.213 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.048 5.514 -1.835 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.493 5.541 -0.944 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.087 6.435 -0.318 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.116 7.948 -3.362 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.914 6.761 -3.924 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.643 6.594 -2.309 1.00 0.00 H new ATOM 226 N MET A 13 4.041 8.007 -2.386 1.00 0.00 N ATOM 227 CA MET A 13 5.394 7.574 -2.650 1.00 0.00 C ATOM 228 C MET A 13 6.323 7.965 -1.512 1.00 0.00 C ATOM 229 O MET A 13 7.264 7.242 -1.185 1.00 0.00 O ATOM 230 CB MET A 13 5.869 8.193 -3.958 1.00 0.00 C ATOM 231 CG MET A 13 4.991 7.846 -5.150 1.00 0.00 C ATOM 232 SD MET A 13 5.293 8.912 -6.572 1.00 0.00 S ATOM 233 CE MET A 13 4.128 8.234 -7.752 1.00 0.00 C ATOM 0 H MET A 13 3.631 8.572 -3.129 1.00 0.00 H new ATOM 0 HA MET A 13 5.409 6.487 -2.732 1.00 0.00 H new ATOM 0 HB2 MET A 13 5.903 9.277 -3.846 1.00 0.00 H new ATOM 0 HB3 MET A 13 6.888 7.861 -4.159 1.00 0.00 H new ATOM 0 HG2 MET A 13 5.166 6.809 -5.435 1.00 0.00 H new ATOM 0 HG3 MET A 13 3.943 7.924 -4.859 1.00 0.00 H new ATOM 0 HE1 MET A 13 4.194 8.789 -8.688 1.00 0.00 H new ATOM 0 HE2 MET A 13 4.363 7.185 -7.934 1.00 0.00 H new ATOM 0 HE3 MET A 13 3.117 8.315 -7.353 1.00 0.00 H new ATOM 243 N MET A 14 6.052 9.113 -0.913 1.00 0.00 N ATOM 244 CA MET A 14 6.847 9.601 0.192 1.00 0.00 C ATOM 245 C MET A 14 6.388 8.986 1.518 1.00 0.00 C ATOM 246 O MET A 14 7.101 9.060 2.518 1.00 0.00 O ATOM 247 CB MET A 14 6.759 11.132 0.246 1.00 0.00 C ATOM 248 CG MET A 14 7.250 11.737 1.549 1.00 0.00 C ATOM 249 SD MET A 14 7.334 13.537 1.493 1.00 0.00 S ATOM 250 CE MET A 14 7.721 13.911 3.202 1.00 0.00 C ATOM 0 H MET A 14 5.281 9.725 -1.179 1.00 0.00 H new ATOM 0 HA MET A 14 7.884 9.305 0.036 1.00 0.00 H new ATOM 0 HB2 MET A 14 7.341 11.548 -0.577 1.00 0.00 H new ATOM 0 HB3 MET A 14 5.723 11.431 0.087 1.00 0.00 H new ATOM 0 HG2 MET A 14 6.586 11.433 2.359 1.00 0.00 H new ATOM 0 HG3 MET A 14 8.238 11.338 1.780 1.00 0.00 H new ATOM 0 HE1 MET A 14 7.806 14.990 3.328 1.00 0.00 H new ATOM 0 HE2 MET A 14 6.928 13.532 3.846 1.00 0.00 H new ATOM 0 HE3 MET A 14 8.665 13.439 3.473 1.00 0.00 H new ATOM 260 N GLN A 15 5.185 8.408 1.535 1.00 0.00 N ATOM 261 CA GLN A 15 4.637 7.854 2.771 1.00 0.00 C ATOM 262 C GLN A 15 5.012 6.388 2.973 1.00 0.00 C ATOM 263 O GLN A 15 5.518 6.030 4.031 1.00 0.00 O ATOM 264 CB GLN A 15 3.115 7.990 2.762 1.00 0.00 C ATOM 265 CG GLN A 15 2.631 9.408 3.018 1.00 0.00 C ATOM 266 CD GLN A 15 1.205 9.637 2.554 1.00 0.00 C ATOM 267 OE1 GLN A 15 0.907 9.563 1.363 1.00 0.00 O ATOM 268 NE2 GLN A 15 0.316 9.921 3.500 1.00 0.00 N ATOM 0 H GLN A 15 4.581 8.313 0.719 1.00 0.00 H new ATOM 0 HA GLN A 15 5.068 8.419 3.597 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.734 7.653 1.798 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.695 7.329 3.520 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.700 9.623 4.084 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.291 10.110 2.508 1.00 0.00 H new ATOM 0 HE21 GLN A 15 0.608 9.972 4.476 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -0.659 10.088 3.250 1.00 0.00 H new ATOM 277 N ILE A 16 4.837 5.568 1.934 1.00 0.00 N ATOM 278 CA ILE A 16 5.178 4.139 2.000 1.00 0.00 C ATOM 279 C ILE A 16 4.858 3.427 0.686 1.00 0.00 C ATOM 280 O ILE A 16 4.478 2.256 0.687 1.00 0.00 O ATOM 281 CB ILE A 16 4.435 3.394 3.138 1.00 0.00 C ATOM 282 CG1 ILE A 16 3.007 3.938 3.307 1.00 0.00 C ATOM 283 CG2 ILE A 16 5.227 3.471 4.440 1.00 0.00 C ATOM 284 CD1 ILE A 16 2.359 3.602 4.636 1.00 0.00 C ATOM 0 H ILE A 16 4.461 5.867 1.034 1.00 0.00 H new ATOM 0 HA ILE A 16 6.249 4.110 2.198 1.00 0.00 H new ATOM 0 HB ILE A 16 4.352 2.342 2.866 1.00 0.00 H new ATOM 0 HG12 ILE A 16 3.029 5.022 3.191 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.384 3.544 2.504 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.688 2.942 5.226 1.00 0.00 H new ATOM 0 HG22 ILE A 16 6.205 3.012 4.299 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.354 4.515 4.727 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.355 4.025 4.668 1.00 0.00 H new ATOM 0 HD12 ILE A 16 2.301 2.519 4.749 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.955 4.020 5.447 1.00 0.00 H new ATOM 296 N LEU A 17 4.991 4.132 -0.430 1.00 0.00 N ATOM 297 CA LEU A 17 4.700 3.543 -1.733 1.00 0.00 C ATOM 298 C LEU A 17 5.970 3.018 -2.394 1.00 0.00 C ATOM 299 O LEU A 17 6.980 3.718 -2.468 1.00 0.00 O ATOM 300 CB LEU A 17 4.037 4.570 -2.648 1.00 0.00 C ATOM 301 CG LEU A 17 2.720 4.147 -3.293 1.00 0.00 C ATOM 302 CD1 LEU A 17 2.416 5.036 -4.490 1.00 0.00 C ATOM 303 CD2 LEU A 17 2.761 2.682 -3.712 1.00 0.00 C ATOM 0 H LEU A 17 5.296 5.105 -0.461 1.00 0.00 H new ATOM 0 HA LEU A 17 4.018 2.708 -1.574 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.860 5.478 -2.072 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.740 4.827 -3.441 1.00 0.00 H new ATOM 0 HG LEU A 17 1.925 4.262 -2.557 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.474 4.726 -4.943 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.337 6.073 -4.163 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.218 4.947 -5.223 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.810 2.407 -4.169 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.566 2.532 -4.432 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.936 2.058 -2.836 1.00 0.00 H new ATOM 315 N THR A 18 5.900 1.794 -2.898 1.00 0.00 N ATOM 316 CA THR A 18 7.028 1.189 -3.591 1.00 0.00 C ATOM 317 C THR A 18 6.659 0.902 -5.043 1.00 0.00 C ATOM 318 O THR A 18 5.514 0.562 -5.342 1.00 0.00 O ATOM 319 CB THR A 18 7.452 -0.105 -2.891 1.00 0.00 C ATOM 320 OG1 THR A 18 6.364 -0.674 -2.184 1.00 0.00 O ATOM 321 CG2 THR A 18 8.583 0.088 -1.907 1.00 0.00 C ATOM 0 H THR A 18 5.073 1.200 -2.840 1.00 0.00 H new ATOM 0 HA THR A 18 7.865 1.887 -3.570 1.00 0.00 H new ATOM 0 HB THR A 18 7.794 -0.763 -3.690 1.00 0.00 H new ATOM 0 HG1 THR A 18 6.280 -1.622 -2.420 1.00 0.00 H new ATOM 0 HG21 THR A 18 8.833 -0.868 -1.448 1.00 0.00 H new ATOM 0 HG22 THR A 18 9.456 0.479 -2.429 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.276 0.793 -1.134 1.00 0.00 H new ATOM 329 N PRO A 19 7.615 1.053 -5.972 1.00 0.00 N ATOM 330 CA PRO A 19 7.376 0.798 -7.391 1.00 0.00 C ATOM 331 C PRO A 19 6.670 -0.534 -7.605 1.00 0.00 C ATOM 332 O PRO A 19 5.789 -0.656 -8.456 1.00 0.00 O ATOM 333 CB PRO A 19 8.782 0.774 -8.010 1.00 0.00 C ATOM 334 CG PRO A 19 9.737 0.801 -6.859 1.00 0.00 C ATOM 335 CD PRO A 19 9.005 1.444 -5.718 1.00 0.00 C ATOM 0 HA PRO A 19 6.729 1.551 -7.841 1.00 0.00 H new ATOM 0 HB2 PRO A 19 8.927 -0.120 -8.617 1.00 0.00 H new ATOM 0 HB3 PRO A 19 8.935 1.632 -8.665 1.00 0.00 H new ATOM 0 HG2 PRO A 19 10.058 -0.207 -6.596 1.00 0.00 H new ATOM 0 HG3 PRO A 19 10.635 1.365 -7.112 1.00 0.00 H new ATOM 0 HD2 PRO A 19 9.359 1.081 -4.753 1.00 0.00 H new ATOM 0 HD3 PRO A 19 9.128 2.527 -5.716 1.00 0.00 H new ATOM 343 N GLU A 20 7.059 -1.528 -6.815 1.00 0.00 N ATOM 344 CA GLU A 20 6.456 -2.851 -6.889 1.00 0.00 C ATOM 345 C GLU A 20 5.058 -2.854 -6.279 1.00 0.00 C ATOM 346 O GLU A 20 4.188 -3.608 -6.707 1.00 0.00 O ATOM 347 CB GLU A 20 7.339 -3.876 -6.172 1.00 0.00 C ATOM 348 CG GLU A 20 7.551 -5.155 -6.966 1.00 0.00 C ATOM 349 CD GLU A 20 8.326 -6.202 -6.190 1.00 0.00 C ATOM 350 OE1 GLU A 20 8.954 -5.843 -5.171 1.00 0.00 O ATOM 351 OE2 GLU A 20 8.307 -7.381 -6.601 1.00 0.00 O ATOM 0 H GLU A 20 7.793 -1.441 -6.113 1.00 0.00 H new ATOM 0 HA GLU A 20 6.371 -3.123 -7.941 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.308 -3.424 -5.961 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.887 -4.125 -5.212 1.00 0.00 H new ATOM 0 HG2 GLU A 20 6.583 -5.564 -7.254 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.085 -4.922 -7.887 1.00 0.00 H new ATOM 358 N ALA A 21 4.853 -2.028 -5.258 1.00 0.00 N ATOM 359 CA ALA A 21 3.571 -1.977 -4.560 1.00 0.00 C ATOM 360 C ALA A 21 2.405 -1.768 -5.523 1.00 0.00 C ATOM 361 O ALA A 21 1.424 -2.515 -5.493 1.00 0.00 O ATOM 362 CB ALA A 21 3.587 -0.877 -3.508 1.00 0.00 C ATOM 0 H ALA A 21 5.557 -1.385 -4.895 1.00 0.00 H new ATOM 0 HA ALA A 21 3.426 -2.941 -4.072 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.626 -0.850 -2.995 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.378 -1.076 -2.785 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.769 0.084 -3.989 1.00 0.00 H new ATOM 368 N ARG A 22 2.514 -0.762 -6.384 1.00 0.00 N ATOM 369 CA ARG A 22 1.448 -0.456 -7.332 1.00 0.00 C ATOM 370 C ARG A 22 1.380 -1.497 -8.444 1.00 0.00 C ATOM 371 O ARG A 22 0.310 -2.029 -8.744 1.00 0.00 O ATOM 372 CB ARG A 22 1.653 0.937 -7.936 1.00 0.00 C ATOM 373 CG ARG A 22 1.430 2.071 -6.952 1.00 0.00 C ATOM 374 CD ARG A 22 0.696 3.235 -7.600 1.00 0.00 C ATOM 375 NE ARG A 22 1.388 3.723 -8.788 1.00 0.00 N ATOM 376 CZ ARG A 22 0.843 4.561 -9.665 1.00 0.00 C ATOM 377 NH1 ARG A 22 -0.395 5.001 -9.486 1.00 0.00 N ATOM 378 NH2 ARG A 22 1.539 4.960 -10.722 1.00 0.00 N ATOM 0 H ARG A 22 3.325 -0.147 -6.445 1.00 0.00 H new ATOM 0 HA ARG A 22 0.504 -0.475 -6.787 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.666 1.006 -8.331 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.973 1.061 -8.779 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.856 1.707 -6.100 1.00 0.00 H new ATOM 0 HG3 ARG A 22 2.390 2.414 -6.567 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.313 2.922 -7.870 1.00 0.00 H new ATOM 0 HD3 ARG A 22 0.596 4.047 -6.880 1.00 0.00 H new ATOM 0 HE ARG A 22 2.342 3.404 -8.955 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.932 4.697 -8.674 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -0.810 5.644 -10.160 1.00 0.00 H new ATOM 0 HH21 ARG A 22 2.492 4.624 -10.862 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.121 5.603 -11.395 1.00 0.00 H new ATOM 392 N SER A 23 2.525 -1.788 -9.053 1.00 0.00 N ATOM 393 CA SER A 23 2.586 -2.760 -10.139 1.00 0.00 C ATOM 394 C SER A 23 2.184 -4.149 -9.658 1.00 0.00 C ATOM 395 O SER A 23 1.456 -4.866 -10.344 1.00 0.00 O ATOM 396 CB SER A 23 3.996 -2.801 -10.733 1.00 0.00 C ATOM 397 OG SER A 23 4.099 -1.951 -11.862 1.00 0.00 O ATOM 0 H SER A 23 3.422 -1.365 -8.814 1.00 0.00 H new ATOM 0 HA SER A 23 1.880 -2.448 -10.909 1.00 0.00 H new ATOM 0 HB2 SER A 23 4.721 -2.497 -9.978 1.00 0.00 H new ATOM 0 HB3 SER A 23 4.244 -3.823 -11.020 1.00 0.00 H new ATOM 0 HG SER A 23 5.010 -1.994 -12.222 1.00 0.00 H new ATOM 403 N ARG A 24 2.666 -4.526 -8.479 1.00 0.00 N ATOM 404 CA ARG A 24 2.350 -5.830 -7.911 1.00 0.00 C ATOM 405 C ARG A 24 0.845 -6.012 -7.784 1.00 0.00 C ATOM 406 O ARG A 24 0.289 -7.009 -8.245 1.00 0.00 O ATOM 407 CB ARG A 24 3.009 -5.993 -6.541 1.00 0.00 C ATOM 408 CG ARG A 24 2.699 -7.323 -5.876 1.00 0.00 C ATOM 409 CD ARG A 24 2.309 -7.141 -4.418 1.00 0.00 C ATOM 410 NE ARG A 24 2.092 -8.419 -3.748 1.00 0.00 N ATOM 411 CZ ARG A 24 3.067 -9.274 -3.459 1.00 0.00 C ATOM 412 NH1 ARG A 24 4.322 -8.986 -3.781 1.00 0.00 N ATOM 413 NH2 ARG A 24 2.790 -10.418 -2.849 1.00 0.00 N ATOM 0 H ARG A 24 3.275 -3.948 -7.900 1.00 0.00 H new ATOM 0 HA ARG A 24 2.740 -6.593 -8.584 1.00 0.00 H new ATOM 0 HB2 ARG A 24 4.089 -5.894 -6.652 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.679 -5.184 -5.889 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.889 -7.818 -6.411 1.00 0.00 H new ATOM 0 HG3 ARG A 24 3.570 -7.975 -5.942 1.00 0.00 H new ATOM 0 HD2 ARG A 24 3.092 -6.588 -3.899 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.401 -6.541 -4.357 1.00 0.00 H new ATOM 0 HE ARG A 24 1.138 -8.670 -3.487 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.539 -8.107 -4.251 1.00 0.00 H new ATOM 0 HH12 ARG A 24 5.069 -9.643 -3.558 1.00 0.00 H new ATOM 0 HH21 ARG A 24 1.827 -10.643 -2.601 1.00 0.00 H new ATOM 0 HH22 ARG A 24 3.540 -11.073 -2.628 1.00 0.00 H new ATOM 427 N LEU A 25 0.184 -5.037 -7.164 1.00 0.00 N ATOM 428 CA LEU A 25 -1.262 -5.093 -6.989 1.00 0.00 C ATOM 429 C LEU A 25 -1.950 -5.385 -8.316 1.00 0.00 C ATOM 430 O LEU A 25 -2.787 -6.284 -8.412 1.00 0.00 O ATOM 431 CB LEU A 25 -1.779 -3.774 -6.407 1.00 0.00 C ATOM 432 CG LEU A 25 -2.770 -3.919 -5.250 1.00 0.00 C ATOM 433 CD1 LEU A 25 -2.770 -2.669 -4.387 1.00 0.00 C ATOM 434 CD2 LEU A 25 -4.169 -4.204 -5.775 1.00 0.00 C ATOM 0 H LEU A 25 0.626 -4.203 -6.777 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.493 -5.899 -6.293 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.927 -3.188 -6.064 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.257 -3.205 -7.205 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.456 -4.762 -4.635 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.481 -2.791 -3.570 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.772 -2.509 -3.979 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.057 -1.809 -4.992 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.859 -4.304 -4.937 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.492 -3.383 -6.415 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.160 -5.130 -6.350 1.00 0.00 H new ATOM 446 N ALA A 26 -1.570 -4.637 -9.344 1.00 0.00 N ATOM 447 CA ALA A 26 -2.117 -4.835 -10.679 1.00 0.00 C ATOM 448 C ALA A 26 -1.917 -6.275 -11.129 1.00 0.00 C ATOM 449 O ALA A 26 -2.814 -6.896 -11.701 1.00 0.00 O ATOM 450 CB ALA A 26 -1.446 -3.886 -11.660 1.00 0.00 C ATOM 0 H ALA A 26 -0.883 -3.886 -9.278 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.186 -4.625 -10.652 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.860 -4.040 -12.656 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.622 -2.856 -11.349 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.374 -4.081 -11.679 1.00 0.00 H new ATOM 456 N ASN A 27 -0.724 -6.794 -10.866 1.00 0.00 N ATOM 457 CA ASN A 27 -0.367 -8.156 -11.231 1.00 0.00 C ATOM 458 C ASN A 27 -1.128 -9.169 -10.391 1.00 0.00 C ATOM 459 O ASN A 27 -1.593 -10.187 -10.891 1.00 0.00 O ATOM 460 CB ASN A 27 1.128 -8.362 -11.017 1.00 0.00 C ATOM 461 CG ASN A 27 1.624 -9.677 -11.584 1.00 0.00 C ATOM 462 OD1 ASN A 27 1.494 -9.940 -12.780 1.00 0.00 O ATOM 463 ND2 ASN A 27 2.202 -10.511 -10.726 1.00 0.00 N ATOM 0 H ASN A 27 0.021 -6.282 -10.394 1.00 0.00 H new ATOM 0 HA ASN A 27 -0.628 -8.306 -12.279 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.674 -7.541 -11.482 1.00 0.00 H new ATOM 0 HB3 ASN A 27 1.347 -8.326 -9.950 1.00 0.00 H new ATOM 0 HD21 ASN A 27 2.559 -11.410 -11.050 1.00 0.00 H new ATOM 0 HD22 ASN A 27 2.289 -10.252 -9.743 1.00 0.00 H new ATOM 470 N LEU A 28 -1.241 -8.879 -9.105 1.00 0.00 N ATOM 471 CA LEU A 28 -1.910 -9.769 -8.171 1.00 0.00 C ATOM 472 C LEU A 28 -3.295 -10.172 -8.673 1.00 0.00 C ATOM 473 O LEU A 28 -3.831 -11.207 -8.283 1.00 0.00 O ATOM 474 CB LEU A 28 -2.012 -9.099 -6.808 1.00 0.00 C ATOM 475 CG LEU A 28 -1.083 -9.674 -5.738 1.00 0.00 C ATOM 476 CD1 LEU A 28 -1.603 -11.016 -5.247 1.00 0.00 C ATOM 477 CD2 LEU A 28 0.331 -9.814 -6.281 1.00 0.00 C ATOM 0 H LEU A 28 -0.874 -8.026 -8.682 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.317 -10.679 -8.083 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.796 -8.037 -6.924 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.041 -9.178 -6.456 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.060 -8.985 -4.894 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.930 -11.411 -4.486 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.597 -10.887 -4.820 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.655 -11.714 -6.083 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.979 -10.225 -5.507 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.326 -10.483 -7.142 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.703 -8.835 -6.584 1.00 0.00 H new ATOM 489 N ARG A 29 -3.877 -9.339 -9.524 1.00 0.00 N ATOM 490 CA ARG A 29 -5.211 -9.594 -10.058 1.00 0.00 C ATOM 491 C ARG A 29 -5.326 -11.009 -10.629 1.00 0.00 C ATOM 492 O ARG A 29 -6.358 -11.662 -10.474 1.00 0.00 O ATOM 493 CB ARG A 29 -5.533 -8.576 -11.155 1.00 0.00 C ATOM 494 CG ARG A 29 -6.818 -7.803 -10.919 1.00 0.00 C ATOM 495 CD ARG A 29 -6.536 -6.339 -10.619 1.00 0.00 C ATOM 496 NE ARG A 29 -6.559 -5.517 -11.825 1.00 0.00 N ATOM 497 CZ ARG A 29 -6.492 -4.191 -11.811 1.00 0.00 C ATOM 498 NH1 ARG A 29 -6.397 -3.542 -10.658 1.00 0.00 N ATOM 499 NH2 ARG A 29 -6.519 -3.511 -12.949 1.00 0.00 N ATOM 0 H ARG A 29 -3.446 -8.478 -9.861 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.923 -9.498 -9.238 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.706 -7.871 -11.237 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.604 -9.096 -12.110 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.457 -7.879 -11.798 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.365 -8.248 -10.088 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.276 -5.965 -9.912 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.562 -6.249 -10.138 1.00 0.00 H new ATOM 0 HE ARG A 29 -6.630 -5.987 -12.728 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.375 -4.062 -9.781 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.346 -2.523 -10.649 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -6.591 -4.007 -13.838 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -6.467 -2.492 -12.936 1.00 0.00 H new ATOM 513 N LEU A 30 -4.268 -11.484 -11.285 1.00 0.00 N ATOM 514 CA LEU A 30 -4.285 -12.806 -11.892 1.00 0.00 C ATOM 515 C LEU A 30 -3.911 -13.906 -10.894 1.00 0.00 C ATOM 516 O LEU A 30 -3.701 -15.054 -11.285 1.00 0.00 O ATOM 517 CB LEU A 30 -3.341 -12.850 -13.095 1.00 0.00 C ATOM 518 CG LEU A 30 -1.981 -12.179 -12.895 1.00 0.00 C ATOM 519 CD1 LEU A 30 -1.293 -12.723 -11.652 1.00 0.00 C ATOM 520 CD2 LEU A 30 -1.105 -12.383 -14.122 1.00 0.00 C ATOM 0 H LEU A 30 -3.394 -10.973 -11.407 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.306 -12.995 -12.222 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.175 -13.893 -13.365 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.838 -12.376 -13.941 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.141 -11.110 -12.757 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.327 -12.233 -11.527 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.914 -12.529 -10.778 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.144 -13.797 -11.759 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.141 -11.900 -13.965 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.954 -13.450 -14.288 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.592 -11.946 -14.994 1.00 0.00 H new ATOM 532 N THR A 31 -3.844 -13.563 -9.609 1.00 0.00 N ATOM 533 CA THR A 31 -3.537 -14.551 -8.578 1.00 0.00 C ATOM 534 C THR A 31 -4.779 -14.853 -7.745 1.00 0.00 C ATOM 535 O THR A 31 -5.465 -15.848 -7.978 1.00 0.00 O ATOM 536 CB THR A 31 -2.399 -14.064 -7.673 1.00 0.00 C ATOM 537 OG1 THR A 31 -2.790 -12.920 -6.936 1.00 0.00 O ATOM 538 CG2 THR A 31 -1.137 -13.715 -8.432 1.00 0.00 C ATOM 0 H THR A 31 -3.997 -12.617 -9.259 1.00 0.00 H new ATOM 0 HA THR A 31 -3.213 -15.466 -9.073 1.00 0.00 H new ATOM 0 HB THR A 31 -2.185 -14.902 -7.009 1.00 0.00 H new ATOM 0 HG1 THR A 31 -3.144 -12.242 -7.548 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.373 -13.378 -7.732 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.778 -14.595 -8.965 1.00 0.00 H new ATOM 0 HG23 THR A 31 -1.350 -12.920 -9.147 1.00 0.00 H new ATOM 546 N ARG A 32 -5.073 -13.978 -6.790 1.00 0.00 N ATOM 547 CA ARG A 32 -6.257 -14.135 -5.953 1.00 0.00 C ATOM 548 C ARG A 32 -7.130 -12.886 -6.028 1.00 0.00 C ATOM 549 O ARG A 32 -6.637 -11.770 -5.872 1.00 0.00 O ATOM 550 CB ARG A 32 -5.859 -14.391 -4.497 1.00 0.00 C ATOM 551 CG ARG A 32 -4.631 -15.274 -4.341 1.00 0.00 C ATOM 552 CD ARG A 32 -4.410 -15.662 -2.888 1.00 0.00 C ATOM 553 NE ARG A 32 -4.260 -17.104 -2.721 1.00 0.00 N ATOM 554 CZ ARG A 32 -3.690 -17.667 -1.660 1.00 0.00 C ATOM 555 NH1 ARG A 32 -3.218 -16.911 -0.679 1.00 0.00 N ATOM 556 NH2 ARG A 32 -3.590 -18.987 -1.580 1.00 0.00 N ATOM 0 H ARG A 32 -4.510 -13.155 -6.576 1.00 0.00 H new ATOM 0 HA ARG A 32 -6.821 -14.991 -6.323 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -5.672 -13.435 -4.008 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.697 -14.856 -3.978 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -4.748 -16.173 -4.946 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.753 -14.749 -4.717 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -3.520 -15.159 -2.511 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.251 -15.314 -2.288 1.00 0.00 H new ATOM 0 HE ARG A 32 -4.612 -17.714 -3.459 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -3.292 -15.895 -0.737 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -2.781 -17.345 0.134 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -3.951 -19.572 -2.333 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -3.152 -19.417 -0.765 1.00 0.00 H new ATOM 570 N PRO A 33 -8.441 -13.051 -6.265 1.00 0.00 N ATOM 571 CA PRO A 33 -9.369 -11.921 -6.331 1.00 0.00 C ATOM 572 C PRO A 33 -9.586 -11.288 -4.961 1.00 0.00 C ATOM 573 O PRO A 33 -9.998 -10.133 -4.857 1.00 0.00 O ATOM 574 CB PRO A 33 -10.664 -12.552 -6.841 1.00 0.00 C ATOM 575 CG PRO A 33 -10.587 -13.973 -6.402 1.00 0.00 C ATOM 576 CD PRO A 33 -9.129 -14.343 -6.451 1.00 0.00 C ATOM 0 HA PRO A 33 -8.998 -11.118 -6.967 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -11.539 -12.055 -6.423 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -10.742 -12.476 -7.926 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -10.986 -14.093 -5.395 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -11.175 -14.616 -7.057 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -8.868 -15.053 -5.667 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -8.864 -14.806 -7.401 1.00 0.00 H new ATOM 584 N ASP A 34 -9.318 -12.060 -3.909 1.00 0.00 N ATOM 585 CA ASP A 34 -9.463 -11.570 -2.545 1.00 0.00 C ATOM 586 C ASP A 34 -8.469 -10.453 -2.282 1.00 0.00 C ATOM 587 O ASP A 34 -8.816 -9.415 -1.716 1.00 0.00 O ATOM 588 CB ASP A 34 -9.250 -12.710 -1.546 1.00 0.00 C ATOM 589 CG ASP A 34 -10.442 -12.904 -0.629 1.00 0.00 C ATOM 590 OD1 ASP A 34 -11.172 -11.919 -0.387 1.00 0.00 O ATOM 591 OD2 ASP A 34 -10.644 -14.040 -0.151 1.00 0.00 O ATOM 0 H ASP A 34 -9.000 -13.027 -3.978 1.00 0.00 H new ATOM 0 HA ASP A 34 -10.473 -11.180 -2.420 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -9.059 -13.635 -2.090 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.363 -12.503 -0.946 1.00 0.00 H new ATOM 596 N PHE A 35 -7.245 -10.650 -2.748 1.00 0.00 N ATOM 597 CA PHE A 35 -6.194 -9.662 -2.576 1.00 0.00 C ATOM 598 C PHE A 35 -6.653 -8.298 -3.079 1.00 0.00 C ATOM 599 O PHE A 35 -6.649 -7.319 -2.340 1.00 0.00 O ATOM 600 CB PHE A 35 -4.943 -10.104 -3.350 1.00 0.00 C ATOM 601 CG PHE A 35 -3.896 -9.035 -3.494 1.00 0.00 C ATOM 602 CD1 PHE A 35 -3.994 -8.097 -4.505 1.00 0.00 C ATOM 603 CD2 PHE A 35 -2.820 -8.969 -2.625 1.00 0.00 C ATOM 604 CE1 PHE A 35 -3.041 -7.111 -4.652 1.00 0.00 C ATOM 605 CE2 PHE A 35 -1.859 -7.985 -2.765 1.00 0.00 C ATOM 606 CZ PHE A 35 -1.972 -7.052 -3.779 1.00 0.00 C ATOM 0 H PHE A 35 -6.956 -11.489 -3.250 1.00 0.00 H new ATOM 0 HA PHE A 35 -5.960 -9.580 -1.515 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.502 -10.963 -2.844 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -5.243 -10.438 -4.343 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -4.829 -8.137 -5.189 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -2.731 -9.694 -1.829 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -3.130 -6.387 -5.448 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -1.022 -7.945 -2.084 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.226 -6.279 -3.888 1.00 0.00 H new ATOM 616 N VAL A 36 -7.079 -8.251 -4.329 1.00 0.00 N ATOM 617 CA VAL A 36 -7.483 -6.998 -4.940 1.00 0.00 C ATOM 618 C VAL A 36 -8.689 -6.375 -4.247 1.00 0.00 C ATOM 619 O VAL A 36 -8.688 -5.184 -3.945 1.00 0.00 O ATOM 620 CB VAL A 36 -7.812 -7.181 -6.433 1.00 0.00 C ATOM 621 CG1 VAL A 36 -8.125 -5.839 -7.073 1.00 0.00 C ATOM 622 CG2 VAL A 36 -6.668 -7.872 -7.160 1.00 0.00 C ATOM 0 H VAL A 36 -7.154 -9.065 -4.939 1.00 0.00 H new ATOM 0 HA VAL A 36 -6.632 -6.326 -4.830 1.00 0.00 H new ATOM 0 HB VAL A 36 -8.694 -7.817 -6.515 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -8.356 -5.984 -8.128 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -8.982 -5.388 -6.573 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -7.262 -5.180 -6.978 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -6.924 -7.990 -8.213 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.764 -7.269 -7.072 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.495 -8.853 -6.717 1.00 0.00 H new ATOM 632 N GLU A 37 -9.726 -7.170 -4.023 1.00 0.00 N ATOM 633 CA GLU A 37 -10.958 -6.661 -3.429 1.00 0.00 C ATOM 634 C GLU A 37 -10.703 -5.947 -2.104 1.00 0.00 C ATOM 635 O GLU A 37 -11.108 -4.797 -1.926 1.00 0.00 O ATOM 636 CB GLU A 37 -11.955 -7.799 -3.215 1.00 0.00 C ATOM 637 CG GLU A 37 -13.267 -7.340 -2.602 1.00 0.00 C ATOM 638 CD GLU A 37 -14.343 -7.091 -3.641 1.00 0.00 C ATOM 639 OE1 GLU A 37 -14.481 -7.921 -4.564 1.00 0.00 O ATOM 640 OE2 GLU A 37 -15.049 -6.065 -3.531 1.00 0.00 O ATOM 0 H GLU A 37 -9.741 -8.166 -4.242 1.00 0.00 H new ATOM 0 HA GLU A 37 -11.375 -5.934 -4.127 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -12.158 -8.280 -4.172 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -11.504 -8.552 -2.569 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -13.617 -8.093 -1.896 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -13.098 -6.425 -2.034 1.00 0.00 H new ATOM 647 N GLN A 38 -10.018 -6.616 -1.183 1.00 0.00 N ATOM 648 CA GLN A 38 -9.739 -6.035 0.119 1.00 0.00 C ATOM 649 C GLN A 38 -8.686 -4.941 0.014 1.00 0.00 C ATOM 650 O GLN A 38 -8.879 -3.830 0.508 1.00 0.00 O ATOM 651 CB GLN A 38 -9.276 -7.118 1.088 1.00 0.00 C ATOM 652 CG GLN A 38 -9.387 -6.710 2.543 1.00 0.00 C ATOM 653 CD GLN A 38 -10.597 -7.314 3.229 1.00 0.00 C ATOM 654 OE1 GLN A 38 -11.706 -7.286 2.695 1.00 0.00 O ATOM 655 NE2 GLN A 38 -10.389 -7.866 4.419 1.00 0.00 N ATOM 0 H GLN A 38 -9.648 -7.557 -1.316 1.00 0.00 H new ATOM 0 HA GLN A 38 -10.658 -5.587 0.496 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -9.868 -8.019 0.925 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.239 -7.373 0.868 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -8.484 -7.016 3.072 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -9.442 -5.623 2.608 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -9.453 -7.867 4.824 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -11.165 -8.289 4.928 1.00 0.00 H new ATOM 664 N ILE A 39 -7.572 -5.260 -0.633 1.00 0.00 N ATOM 665 CA ILE A 39 -6.491 -4.301 -0.803 1.00 0.00 C ATOM 666 C ILE A 39 -6.991 -3.047 -1.523 1.00 0.00 C ATOM 667 O ILE A 39 -6.696 -1.928 -1.106 1.00 0.00 O ATOM 668 CB ILE A 39 -5.297 -4.928 -1.562 1.00 0.00 C ATOM 669 CG1 ILE A 39 -4.656 -6.020 -0.676 1.00 0.00 C ATOM 670 CG2 ILE A 39 -4.285 -3.853 -1.968 1.00 0.00 C ATOM 671 CD1 ILE A 39 -3.161 -6.199 -0.846 1.00 0.00 C ATOM 0 H ILE A 39 -7.395 -6.175 -1.048 1.00 0.00 H new ATOM 0 HA ILE A 39 -6.141 -4.014 0.188 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.648 -5.391 -2.484 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.860 -5.783 0.368 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.145 -6.970 -0.889 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.455 -4.317 -2.500 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.770 -3.124 -2.617 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.909 -3.352 -1.076 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.811 -6.988 -0.180 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.942 -6.472 -1.878 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.653 -5.266 -0.602 1.00 0.00 H new ATOM 683 N GLU A 40 -7.750 -3.235 -2.599 1.00 0.00 N ATOM 684 CA GLU A 40 -8.277 -2.103 -3.355 1.00 0.00 C ATOM 685 C GLU A 40 -9.054 -1.162 -2.444 1.00 0.00 C ATOM 686 O GLU A 40 -8.794 0.040 -2.415 1.00 0.00 O ATOM 687 CB GLU A 40 -9.179 -2.577 -4.496 1.00 0.00 C ATOM 688 CG GLU A 40 -8.415 -3.112 -5.696 1.00 0.00 C ATOM 689 CD GLU A 40 -7.679 -2.021 -6.450 1.00 0.00 C ATOM 690 OE1 GLU A 40 -7.903 -0.832 -6.143 1.00 0.00 O ATOM 691 OE2 GLU A 40 -6.881 -2.357 -7.350 1.00 0.00 O ATOM 0 H GLU A 40 -8.012 -4.151 -2.964 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.429 -1.566 -3.780 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.843 -3.356 -4.122 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.809 -1.748 -4.818 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.700 -3.864 -5.362 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.110 -3.611 -6.372 1.00 0.00 H new ATOM 698 N LEU A 41 -10.002 -1.715 -1.690 1.00 0.00 N ATOM 699 CA LEU A 41 -10.806 -0.914 -0.775 1.00 0.00 C ATOM 700 C LEU A 41 -9.914 -0.049 0.110 1.00 0.00 C ATOM 701 O LEU A 41 -10.143 1.154 0.260 1.00 0.00 O ATOM 702 CB LEU A 41 -11.685 -1.820 0.092 1.00 0.00 C ATOM 703 CG LEU A 41 -12.718 -1.088 0.952 1.00 0.00 C ATOM 704 CD1 LEU A 41 -12.049 -0.446 2.158 1.00 0.00 C ATOM 705 CD2 LEU A 41 -13.452 -0.043 0.126 1.00 0.00 C ATOM 0 H LEU A 41 -10.230 -2.709 -1.696 1.00 0.00 H new ATOM 0 HA LEU A 41 -11.447 -0.260 -1.366 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -12.207 -2.523 -0.557 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -11.041 -2.408 0.746 1.00 0.00 H new ATOM 0 HG LEU A 41 -13.446 -1.815 1.312 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -12.799 0.070 2.758 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -11.569 -1.217 2.761 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -11.299 0.269 1.820 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -14.183 0.468 0.752 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -12.737 0.682 -0.262 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -13.963 -0.529 -0.705 1.00 0.00 H new ATOM 717 N GLN A 42 -8.878 -0.664 0.670 1.00 0.00 N ATOM 718 CA GLN A 42 -7.939 0.047 1.529 1.00 0.00 C ATOM 719 C GLN A 42 -7.040 0.966 0.708 1.00 0.00 C ATOM 720 O GLN A 42 -6.690 2.061 1.147 1.00 0.00 O ATOM 721 CB GLN A 42 -7.085 -0.947 2.317 1.00 0.00 C ATOM 722 CG GLN A 42 -7.546 -1.140 3.753 1.00 0.00 C ATOM 723 CD GLN A 42 -6.408 -1.508 4.686 1.00 0.00 C ATOM 724 OE1 GLN A 42 -6.109 -0.783 5.636 1.00 0.00 O ATOM 725 NE2 GLN A 42 -5.767 -2.641 4.422 1.00 0.00 N ATOM 0 H GLN A 42 -8.667 -1.654 0.544 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.513 0.657 2.227 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.099 -1.910 1.807 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.051 -0.603 2.319 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.018 -0.223 4.106 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -8.305 -1.922 3.785 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.047 -3.212 3.625 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -4.994 -2.940 5.017 1.00 0.00 H new ATOM 734 N LEU A 43 -6.674 0.517 -0.490 1.00 0.00 N ATOM 735 CA LEU A 43 -5.810 1.300 -1.365 1.00 0.00 C ATOM 736 C LEU A 43 -6.533 2.533 -1.891 1.00 0.00 C ATOM 737 O LEU A 43 -6.037 3.652 -1.772 1.00 0.00 O ATOM 738 CB LEU A 43 -5.335 0.444 -2.546 1.00 0.00 C ATOM 739 CG LEU A 43 -4.052 0.921 -3.246 1.00 0.00 C ATOM 740 CD1 LEU A 43 -4.009 0.405 -4.675 1.00 0.00 C ATOM 741 CD2 LEU A 43 -3.941 2.444 -3.228 1.00 0.00 C ATOM 0 H LEU A 43 -6.962 -0.383 -0.875 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.949 1.624 -0.780 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.175 -0.574 -2.191 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -6.135 0.402 -3.285 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.201 0.518 -2.697 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.095 0.750 -5.159 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.027 -0.685 -4.669 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.874 0.779 -5.223 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.023 2.748 -3.731 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.798 2.877 -3.744 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.923 2.795 -2.196 1.00 0.00 H new ATOM 753 N ILE A 44 -7.712 2.322 -2.464 1.00 0.00 N ATOM 754 CA ILE A 44 -8.498 3.419 -3.013 1.00 0.00 C ATOM 755 C ILE A 44 -8.766 4.479 -1.955 1.00 0.00 C ATOM 756 O ILE A 44 -8.690 5.676 -2.229 1.00 0.00 O ATOM 757 CB ILE A 44 -9.840 2.924 -3.585 1.00 0.00 C ATOM 758 CG1 ILE A 44 -10.574 4.067 -4.287 1.00 0.00 C ATOM 759 CG2 ILE A 44 -10.702 2.335 -2.479 1.00 0.00 C ATOM 760 CD1 ILE A 44 -11.417 3.615 -5.459 1.00 0.00 C ATOM 0 H ILE A 44 -8.144 1.403 -2.560 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.912 3.855 -3.822 1.00 0.00 H new ATOM 0 HB ILE A 44 -9.639 2.143 -4.318 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -11.213 4.575 -3.565 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -9.844 4.797 -4.636 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -11.647 1.990 -2.899 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -10.181 1.495 -2.020 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -10.897 3.097 -1.725 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -11.908 4.478 -5.908 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -10.780 3.133 -6.201 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -12.171 2.908 -5.114 1.00 0.00 H new ATOM 772 N GLN A 45 -9.064 4.034 -0.739 1.00 0.00 N ATOM 773 CA GLN A 45 -9.344 4.952 0.356 1.00 0.00 C ATOM 774 C GLN A 45 -8.073 5.651 0.832 1.00 0.00 C ATOM 775 O GLN A 45 -8.053 6.869 1.000 1.00 0.00 O ATOM 776 CB GLN A 45 -9.992 4.201 1.521 1.00 0.00 C ATOM 777 CG GLN A 45 -11.142 4.957 2.166 1.00 0.00 C ATOM 778 CD GLN A 45 -11.772 4.193 3.313 1.00 0.00 C ATOM 779 OE1 GLN A 45 -11.742 2.963 3.346 1.00 0.00 O ATOM 780 NE2 GLN A 45 -12.347 4.920 4.263 1.00 0.00 N ATOM 0 H GLN A 45 -9.117 3.047 -0.489 1.00 0.00 H new ATOM 0 HA GLN A 45 -10.033 5.712 -0.012 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -10.356 3.238 1.164 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -9.234 3.995 2.277 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -10.781 5.919 2.530 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -11.902 5.166 1.413 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -12.349 5.938 4.196 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -12.787 4.461 5.060 1.00 0.00 H new ATOM 789 N LEU A 46 -7.021 4.872 1.064 1.00 0.00 N ATOM 790 CA LEU A 46 -5.761 5.420 1.554 1.00 0.00 C ATOM 791 C LEU A 46 -5.042 6.248 0.490 1.00 0.00 C ATOM 792 O LEU A 46 -4.685 7.399 0.726 1.00 0.00 O ATOM 793 CB LEU A 46 -4.841 4.292 2.032 1.00 0.00 C ATOM 794 CG LEU A 46 -5.397 3.449 3.183 1.00 0.00 C ATOM 795 CD1 LEU A 46 -4.696 2.099 3.239 1.00 0.00 C ATOM 796 CD2 LEU A 46 -5.248 4.185 4.505 1.00 0.00 C ATOM 0 H LEU A 46 -7.016 3.862 0.921 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.001 6.080 2.388 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.629 3.634 1.189 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.891 4.726 2.345 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.459 3.279 3.005 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.103 1.512 4.062 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.855 1.567 2.301 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.628 2.250 3.394 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.649 3.570 5.311 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.193 4.387 4.692 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.795 5.127 4.461 1.00 0.00 H new ATOM 808 N ALA A 47 -4.830 5.659 -0.681 1.00 0.00 N ATOM 809 CA ALA A 47 -4.110 6.342 -1.753 1.00 0.00 C ATOM 810 C ALA A 47 -4.785 7.655 -2.140 1.00 0.00 C ATOM 811 O ALA A 47 -4.133 8.694 -2.229 1.00 0.00 O ATOM 812 CB ALA A 47 -3.969 5.433 -2.965 1.00 0.00 C ATOM 0 H ALA A 47 -5.143 4.716 -0.913 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.115 6.584 -1.379 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.430 5.959 -3.753 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.417 4.536 -2.685 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.958 5.153 -3.327 1.00 0.00 H new ATOM 818 N GLN A 48 -6.090 7.603 -2.376 1.00 0.00 N ATOM 819 CA GLN A 48 -6.840 8.790 -2.771 1.00 0.00 C ATOM 820 C GLN A 48 -6.718 9.898 -1.728 1.00 0.00 C ATOM 821 O GLN A 48 -6.665 11.079 -2.070 1.00 0.00 O ATOM 822 CB GLN A 48 -8.311 8.437 -2.988 1.00 0.00 C ATOM 823 CG GLN A 48 -8.544 7.548 -4.196 1.00 0.00 C ATOM 824 CD GLN A 48 -10.006 7.198 -4.393 1.00 0.00 C ATOM 825 OE1 GLN A 48 -10.673 6.806 -3.313 1.00 0.00 O flip ATOM 826 NE2 GLN A 48 -10.533 7.285 -5.502 1.00 0.00 N flip ATOM 0 H GLN A 48 -6.650 6.754 -2.301 1.00 0.00 H new ATOM 0 HA GLN A 48 -6.416 9.157 -3.706 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -8.692 7.936 -2.098 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -8.884 9.356 -3.106 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -8.172 8.051 -5.089 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -7.967 6.630 -4.083 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -9.984 7.590 -6.305 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -11.519 7.052 -5.618 1.00 0.00 H new ATOM 899 N ARG A 53 -2.724 9.281 4.717 1.00 0.00 N ATOM 900 CA ARG A 53 -3.040 7.896 4.396 1.00 0.00 C ATOM 901 C ARG A 53 -2.462 7.506 3.040 1.00 0.00 C ATOM 902 O ARG A 53 -2.783 8.113 2.019 1.00 0.00 O ATOM 903 CB ARG A 53 -4.555 7.689 4.399 1.00 0.00 C ATOM 904 CG ARG A 53 -5.086 7.107 5.699 1.00 0.00 C ATOM 905 CD ARG A 53 -4.997 8.110 6.836 1.00 0.00 C ATOM 906 NE ARG A 53 -6.206 8.121 7.654 1.00 0.00 N ATOM 907 CZ ARG A 53 -6.595 7.096 8.405 1.00 0.00 C ATOM 908 NH1 ARG A 53 -5.874 5.985 8.439 1.00 0.00 N ATOM 909 NH2 ARG A 53 -7.707 7.183 9.123 1.00 0.00 N ATOM 0 HA ARG A 53 -2.590 7.258 5.156 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -5.044 8.645 4.212 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -4.825 7.026 3.577 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -6.123 6.799 5.564 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.519 6.212 5.957 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.138 7.872 7.463 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.827 9.106 6.428 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.784 8.962 7.649 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.018 5.915 7.888 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.174 5.200 9.016 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -8.264 8.037 9.099 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -8.005 6.396 9.699 1.00 0.00 H new ATOM 923 N SER A 54 -1.575 6.518 3.045 1.00 0.00 N ATOM 924 CA SER A 54 -0.939 6.047 1.820 1.00 0.00 C ATOM 925 C SER A 54 -1.211 4.561 1.595 1.00 0.00 C ATOM 926 O SER A 54 -1.362 3.801 2.552 1.00 0.00 O ATOM 927 CB SER A 54 0.569 6.294 1.886 1.00 0.00 C ATOM 928 OG SER A 54 1.073 5.975 3.169 1.00 0.00 O ATOM 0 H SER A 54 -1.279 6.025 3.888 1.00 0.00 H new ATOM 0 HA SER A 54 -1.362 6.603 0.983 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.074 5.691 1.131 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.782 7.338 1.656 1.00 0.00 H new ATOM 0 HG SER A 54 0.809 6.671 3.807 1.00 0.00 H new ATOM 934 N LYS A 55 -1.242 4.141 0.331 1.00 0.00 N ATOM 935 CA LYS A 55 -1.472 2.743 0.003 1.00 0.00 C ATOM 936 C LYS A 55 -0.400 1.858 0.633 1.00 0.00 C ATOM 937 O LYS A 55 0.757 2.255 0.758 1.00 0.00 O ATOM 938 CB LYS A 55 -1.501 2.543 -1.515 1.00 0.00 C ATOM 939 CG LYS A 55 -0.128 2.552 -2.164 1.00 0.00 C ATOM 940 CD LYS A 55 -0.177 2.083 -3.608 1.00 0.00 C ATOM 941 CE LYS A 55 0.446 0.705 -3.769 1.00 0.00 C ATOM 942 NZ LYS A 55 -0.535 -0.296 -4.270 1.00 0.00 N ATOM 0 H LYS A 55 -1.111 4.750 -0.477 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.441 2.454 0.409 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.991 1.595 -1.737 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.109 3.329 -1.963 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.285 3.560 -2.124 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.545 1.909 -1.597 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.212 2.057 -3.948 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.349 2.797 -4.241 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.287 0.766 -4.460 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.845 0.373 -2.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.035 -1.166 -4.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.224 -0.512 -3.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.033 0.090 -5.098 1.00 0.00 H new ATOM 956 N ILE A 56 -0.808 0.668 1.047 1.00 0.00 N ATOM 957 CA ILE A 56 0.091 -0.277 1.696 1.00 0.00 C ATOM 958 C ILE A 56 1.198 -0.752 0.754 1.00 0.00 C ATOM 959 O ILE A 56 0.986 -0.898 -0.450 1.00 0.00 O ATOM 960 CB ILE A 56 -0.684 -1.500 2.221 1.00 0.00 C ATOM 961 CG1 ILE A 56 -2.024 -1.072 2.822 1.00 0.00 C ATOM 962 CG2 ILE A 56 0.142 -2.243 3.251 1.00 0.00 C ATOM 963 CD1 ILE A 56 -3.222 -1.566 2.041 1.00 0.00 C ATOM 0 H ILE A 56 -1.765 0.331 0.944 1.00 0.00 H new ATOM 0 HA ILE A 56 0.550 0.252 2.531 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.881 -2.168 1.383 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.089 -1.443 3.845 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.058 0.016 2.875 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.418 -3.105 3.613 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.073 -2.581 2.796 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.366 -1.579 4.086 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.137 -1.225 2.525 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -3.181 -1.174 1.025 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.212 -2.656 2.010 1.00 0.00 H new ATOM 975 N THR A 57 2.389 -0.973 1.315 1.00 0.00 N ATOM 976 CA THR A 57 3.549 -1.399 0.531 1.00 0.00 C ATOM 977 C THR A 57 3.454 -2.869 0.138 1.00 0.00 C ATOM 978 O THR A 57 2.705 -3.637 0.739 1.00 0.00 O ATOM 979 CB THR A 57 4.840 -1.168 1.323 1.00 0.00 C ATOM 980 OG1 THR A 57 5.124 -2.284 2.149 1.00 0.00 O ATOM 981 CG2 THR A 57 4.798 0.059 2.206 1.00 0.00 C ATOM 0 H THR A 57 2.575 -0.863 2.312 1.00 0.00 H new ATOM 0 HA THR A 57 3.563 -0.800 -0.380 1.00 0.00 H new ATOM 0 HB THR A 57 5.615 -1.021 0.571 1.00 0.00 H new ATOM 0 HG1 THR A 57 5.952 -2.120 2.646 1.00 0.00 H new ATOM 0 HG21 THR A 57 5.745 0.159 2.736 1.00 0.00 H new ATOM 0 HG22 THR A 57 4.631 0.944 1.592 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.987 -0.040 2.928 1.00 0.00 H new ATOM 989 N ASP A 58 4.226 -3.249 -0.878 1.00 0.00 N ATOM 990 CA ASP A 58 4.236 -4.623 -1.371 1.00 0.00 C ATOM 991 C ASP A 58 4.467 -5.616 -0.239 1.00 0.00 C ATOM 992 O ASP A 58 4.040 -6.767 -0.315 1.00 0.00 O ATOM 993 CB ASP A 58 5.323 -4.790 -2.435 1.00 0.00 C ATOM 994 CG ASP A 58 5.369 -6.196 -2.998 1.00 0.00 C ATOM 995 OD1 ASP A 58 5.528 -7.149 -2.206 1.00 0.00 O ATOM 996 OD2 ASP A 58 5.250 -6.346 -4.232 1.00 0.00 O ATOM 0 H ASP A 58 4.855 -2.621 -1.377 1.00 0.00 H new ATOM 0 HA ASP A 58 3.260 -4.829 -1.811 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.146 -4.083 -3.245 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.292 -4.543 -2.002 1.00 0.00 H new ATOM 1001 N GLU A 59 5.157 -5.170 0.805 1.00 0.00 N ATOM 1002 CA GLU A 59 5.444 -6.027 1.946 1.00 0.00 C ATOM 1003 C GLU A 59 4.174 -6.328 2.727 1.00 0.00 C ATOM 1004 O GLU A 59 3.845 -7.488 2.974 1.00 0.00 O ATOM 1005 CB GLU A 59 6.467 -5.351 2.863 1.00 0.00 C ATOM 1006 CG GLU A 59 6.712 -6.094 4.171 1.00 0.00 C ATOM 1007 CD GLU A 59 7.888 -7.047 4.088 1.00 0.00 C ATOM 1008 OE1 GLU A 59 8.545 -7.086 3.026 1.00 0.00 O ATOM 1009 OE2 GLU A 59 8.152 -7.754 5.083 1.00 0.00 O ATOM 0 H GLU A 59 5.526 -4.222 0.883 1.00 0.00 H new ATOM 0 HA GLU A 59 5.855 -6.966 1.575 1.00 0.00 H new ATOM 0 HB2 GLU A 59 7.412 -5.256 2.328 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.126 -4.341 3.089 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.890 -5.371 4.967 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.815 -6.652 4.441 1.00 0.00 H new ATOM 1016 N GLN A 60 3.465 -5.277 3.113 1.00 0.00 N ATOM 1017 CA GLN A 60 2.224 -5.435 3.855 1.00 0.00 C ATOM 1018 C GLN A 60 1.102 -5.855 2.915 1.00 0.00 C ATOM 1019 O GLN A 60 0.190 -6.584 3.304 1.00 0.00 O ATOM 1020 CB GLN A 60 1.872 -4.140 4.581 1.00 0.00 C ATOM 1021 CG GLN A 60 2.512 -4.018 5.955 1.00 0.00 C ATOM 1022 CD GLN A 60 1.490 -3.919 7.070 1.00 0.00 C ATOM 1023 OE1 GLN A 60 0.782 -4.882 7.366 1.00 0.00 O ATOM 1024 NE2 GLN A 60 1.410 -2.751 7.698 1.00 0.00 N ATOM 0 H GLN A 60 3.727 -4.309 2.925 1.00 0.00 H new ATOM 0 HA GLN A 60 2.355 -6.217 4.603 1.00 0.00 H new ATOM 0 HB2 GLN A 60 2.183 -3.294 3.968 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.789 -4.076 4.687 1.00 0.00 H new ATOM 0 HG2 GLN A 60 3.153 -4.882 6.131 1.00 0.00 H new ATOM 0 HG3 GLN A 60 3.153 -3.136 5.976 1.00 0.00 H new ATOM 0 HE21 GLN A 60 2.017 -1.980 7.420 1.00 0.00 H new ATOM 0 HE22 GLN A 60 0.742 -2.626 8.459 1.00 0.00 H new ATOM 1033 N LEU A 61 1.199 -5.422 1.659 1.00 0.00 N ATOM 1034 CA LEU A 61 0.231 -5.812 0.643 1.00 0.00 C ATOM 1035 C LEU A 61 0.184 -7.330 0.553 1.00 0.00 C ATOM 1036 O LEU A 61 -0.889 -7.933 0.528 1.00 0.00 O ATOM 1037 CB LEU A 61 0.607 -5.208 -0.713 1.00 0.00 C ATOM 1038 CG LEU A 61 0.180 -3.753 -0.919 1.00 0.00 C ATOM 1039 CD1 LEU A 61 0.760 -3.209 -2.217 1.00 0.00 C ATOM 1040 CD2 LEU A 61 -1.336 -3.638 -0.919 1.00 0.00 C ATOM 0 H LEU A 61 1.937 -4.803 1.324 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.754 -5.436 0.920 1.00 0.00 H new ATOM 0 HB2 LEU A 61 1.688 -5.273 -0.835 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.160 -5.816 -1.500 1.00 0.00 H new ATOM 0 HG LEU A 61 0.568 -3.157 -0.093 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.447 -2.173 -2.349 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.848 -3.257 -2.178 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.400 -3.806 -3.055 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.622 -2.597 -1.067 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.747 -4.245 -1.726 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.728 -3.990 0.035 1.00 0.00 H new ATOM 1052 N LYS A 62 1.365 -7.941 0.554 1.00 0.00 N ATOM 1053 CA LYS A 62 1.476 -9.393 0.559 1.00 0.00 C ATOM 1054 C LYS A 62 0.861 -9.931 1.843 1.00 0.00 C ATOM 1055 O LYS A 62 0.031 -10.840 1.822 1.00 0.00 O ATOM 1056 CB LYS A 62 2.946 -9.805 0.454 1.00 0.00 C ATOM 1057 CG LYS A 62 3.173 -11.304 0.557 1.00 0.00 C ATOM 1058 CD LYS A 62 3.862 -11.675 1.859 1.00 0.00 C ATOM 1059 CE LYS A 62 4.663 -12.959 1.719 1.00 0.00 C ATOM 1060 NZ LYS A 62 4.825 -13.658 3.024 1.00 0.00 N ATOM 0 H LYS A 62 2.259 -7.451 0.551 1.00 0.00 H new ATOM 0 HA LYS A 62 0.943 -9.808 -0.297 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.346 -9.451 -0.496 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.510 -9.307 1.242 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.217 -11.823 0.489 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.778 -11.640 -0.285 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.523 -10.864 2.166 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.117 -11.794 2.645 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.165 -13.622 1.011 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.645 -12.731 1.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.377 -14.529 2.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.323 -13.035 3.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.889 -13.899 3.407 1.00 0.00 H new ATOM 1074 N GLU A 63 1.240 -9.311 2.955 1.00 0.00 N ATOM 1075 CA GLU A 63 0.675 -9.630 4.258 1.00 0.00 C ATOM 1076 C GLU A 63 -0.844 -9.515 4.222 1.00 0.00 C ATOM 1077 O GLU A 63 -1.536 -10.076 5.072 1.00 0.00 O ATOM 1078 CB GLU A 63 1.250 -8.719 5.333 1.00 0.00 C ATOM 1079 CG GLU A 63 2.770 -8.703 5.373 1.00 0.00 C ATOM 1080 CD GLU A 63 3.332 -9.640 6.424 1.00 0.00 C ATOM 1081 OE1 GLU A 63 2.711 -10.695 6.673 1.00 0.00 O ATOM 1082 OE2 GLU A 63 4.392 -9.319 7.000 1.00 0.00 O ATOM 0 H GLU A 63 1.946 -8.575 2.977 1.00 0.00 H new ATOM 0 HA GLU A 63 0.941 -10.658 4.503 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.889 -7.704 5.167 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.873 -9.037 6.305 1.00 0.00 H new ATOM 0 HG2 GLU A 63 3.159 -8.984 4.394 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.115 -7.688 5.573 1.00 0.00 H new ATOM 1089 N LEU A 64 -1.342 -8.630 3.360 1.00 0.00 N ATOM 1090 CA LEU A 64 -2.770 -8.477 3.193 1.00 0.00 C ATOM 1091 C LEU A 64 -3.292 -9.701 2.484 1.00 0.00 C ATOM 1092 O LEU A 64 -4.409 -10.156 2.721 1.00 0.00 O ATOM 1093 CB LEU A 64 -3.084 -7.215 2.384 1.00 0.00 C ATOM 1094 CG LEU A 64 -3.708 -6.071 3.184 1.00 0.00 C ATOM 1095 CD1 LEU A 64 -3.209 -4.728 2.673 1.00 0.00 C ATOM 1096 CD2 LEU A 64 -5.226 -6.140 3.117 1.00 0.00 C ATOM 0 H LEU A 64 -0.776 -8.016 2.774 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.251 -8.374 4.166 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.162 -6.857 1.926 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.761 -7.481 1.572 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.406 -6.174 4.226 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.664 -3.926 3.254 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.125 -4.680 2.775 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.480 -4.614 1.623 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.653 -5.318 3.692 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.548 -6.063 2.079 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.566 -7.089 3.532 1.00 0.00 H new ATOM 1108 N LEU A 65 -2.428 -10.272 1.659 1.00 0.00 N ATOM 1109 CA LEU A 65 -2.760 -11.452 0.918 1.00 0.00 C ATOM 1110 C LEU A 65 -2.974 -12.639 1.844 1.00 0.00 C ATOM 1111 O LEU A 65 -3.944 -13.384 1.705 1.00 0.00 O ATOM 1112 CB LEU A 65 -1.638 -11.765 -0.090 1.00 0.00 C ATOM 1113 CG LEU A 65 -2.069 -12.263 -1.478 1.00 0.00 C ATOM 1114 CD1 LEU A 65 -1.163 -13.395 -1.936 1.00 0.00 C ATOM 1115 CD2 LEU A 65 -3.511 -12.710 -1.461 1.00 0.00 C ATOM 0 H LEU A 65 -1.484 -9.923 1.493 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.691 -11.270 0.382 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.041 -10.863 -0.224 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.985 -12.517 0.352 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.978 -11.438 -2.185 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.479 -13.739 -2.921 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.134 -13.039 -1.989 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.225 -14.220 -1.227 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.796 -13.059 -2.454 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.632 -13.521 -0.743 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.148 -11.873 -1.174 1.00 0.00 H new ATOM 1127 N LYS A 66 -2.060 -12.810 2.788 1.00 0.00 N ATOM 1128 CA LYS A 66 -2.142 -13.910 3.735 1.00 0.00 C ATOM 1129 C LYS A 66 -3.372 -13.776 4.626 1.00 0.00 C ATOM 1130 O LYS A 66 -4.061 -14.759 4.896 1.00 0.00 O ATOM 1131 CB LYS A 66 -0.877 -13.965 4.591 1.00 0.00 C ATOM 1132 CG LYS A 66 -0.651 -15.311 5.257 1.00 0.00 C ATOM 1133 CD LYS A 66 -0.477 -15.166 6.761 1.00 0.00 C ATOM 1134 CE LYS A 66 0.989 -15.209 7.159 1.00 0.00 C ATOM 1135 NZ LYS A 66 1.164 -15.194 8.638 1.00 0.00 N ATOM 0 H LYS A 66 -1.253 -12.200 2.918 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.231 -14.838 3.169 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -0.015 -13.729 3.967 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.935 -13.194 5.359 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.496 -15.968 5.049 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.233 -15.785 4.831 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -0.917 -14.225 7.090 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.017 -15.965 7.269 1.00 0.00 H new ATOM 0 HE2 LYS A 66 1.450 -16.107 6.748 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.509 -14.356 6.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 2.178 -15.224 8.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.746 -14.325 9.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.690 -16.022 9.052 1.00 0.00 H new ATOM 1149 N ARG A 67 -3.647 -12.556 5.082 1.00 0.00 N ATOM 1150 CA ARG A 67 -4.792 -12.318 5.954 1.00 0.00 C ATOM 1151 C ARG A 67 -6.107 -12.332 5.172 1.00 0.00 C ATOM 1152 O ARG A 67 -7.114 -12.846 5.657 1.00 0.00 O ATOM 1153 CB ARG A 67 -4.633 -11.003 6.715 1.00 0.00 C ATOM 1154 CG ARG A 67 -4.564 -9.795 5.817 1.00 0.00 C ATOM 1155 CD ARG A 67 -3.823 -8.650 6.487 1.00 0.00 C ATOM 1156 NE ARG A 67 -4.211 -8.491 7.885 1.00 0.00 N ATOM 1157 CZ ARG A 67 -3.485 -7.826 8.779 1.00 0.00 C ATOM 1158 NH1 ARG A 67 -2.341 -7.262 8.420 1.00 0.00 N ATOM 1159 NH2 ARG A 67 -3.906 -7.725 10.034 1.00 0.00 N ATOM 0 H ARG A 67 -3.098 -11.725 4.864 1.00 0.00 H new ATOM 0 HA ARG A 67 -4.827 -13.133 6.677 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -5.470 -10.887 7.403 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -3.727 -11.049 7.319 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -4.063 -10.060 4.886 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -5.573 -9.475 5.556 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -2.749 -8.829 6.427 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -4.023 -7.724 5.948 1.00 0.00 H new ATOM 0 HE ARG A 67 -5.087 -8.913 8.193 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -2.016 -7.337 7.456 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -1.786 -6.752 9.107 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -4.787 -8.158 10.313 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -3.349 -7.215 10.719 1.00 0.00 H new ATOM 1173 N VAL A 68 -6.095 -11.777 3.960 1.00 0.00 N ATOM 1174 CA VAL A 68 -7.298 -11.759 3.127 1.00 0.00 C ATOM 1175 C VAL A 68 -7.565 -13.140 2.535 1.00 0.00 C ATOM 1176 O VAL A 68 -8.708 -13.591 2.479 1.00 0.00 O ATOM 1177 CB VAL A 68 -7.198 -10.731 1.979 1.00 0.00 C ATOM 1178 CG1 VAL A 68 -8.467 -10.736 1.143 1.00 0.00 C ATOM 1179 CG2 VAL A 68 -6.927 -9.337 2.522 1.00 0.00 C ATOM 0 H VAL A 68 -5.277 -11.339 3.537 1.00 0.00 H new ATOM 0 HA VAL A 68 -8.122 -11.468 3.778 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.362 -11.018 1.341 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.376 -10.005 0.340 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.618 -11.728 0.716 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.319 -10.479 1.773 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.861 -8.631 1.694 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -7.738 -9.042 3.187 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.987 -9.338 3.074 1.00 0.00 H new ATOM 1189 N ALA A 69 -6.500 -13.805 2.100 1.00 0.00 N ATOM 1190 CA ALA A 69 -6.615 -15.137 1.515 1.00 0.00 C ATOM 1191 C ALA A 69 -6.871 -16.187 2.593 1.00 0.00 C ATOM 1192 O ALA A 69 -6.136 -16.271 3.576 1.00 0.00 O ATOM 1193 CB ALA A 69 -5.356 -15.478 0.732 1.00 0.00 C ATOM 0 H ALA A 69 -5.547 -13.444 2.141 1.00 0.00 H new ATOM 0 HA ALA A 69 -7.465 -15.138 0.833 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.454 -16.474 0.301 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.215 -14.749 -0.066 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.495 -15.455 1.400 1.00 0.00 H new