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) USER MOD Single : A 13 MET CE :methyl 148:sc= -0.2 (180deg=-1.3!) USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.0469 K(o=-0.047,f=-0.72) USER MOD Single : A 18 THR OG1 : rot 151:sc= 1.04 USER MOD Single : A 23 SER OG : rot 84:sc= 0.432 USER MOD Single : A 27 ASN : amide:sc=-0.00449 K(o=-0.0045,f=-0.72) USER MOD Single : A 31 THR OG1 : rot -8:sc= -0.483 USER MOD Single : A 38 GLN : amide:sc= -1.52 K(o=-1.5,f=-2.5!) USER MOD Single : A 42 GLN : amide:sc= -0.871 K(o=-0.87,f=-3.2!) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 GLN : amide:sc= -5.59! C(o=-5.6!,f=-6.2!) USER MOD Single : A 54 SER OG : rot -90:sc= -1.63! USER MOD Single : A 55 LYS NZ :NH3+ 137:sc= -0.748 (180deg=-3.32!) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.0391 USER MOD Single : A 60 GLN : amide:sc= 0.132 X(o=0.13,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 3.468 11.504 -3.423 1.00 0.00 N ATOM 191 CA GLN A 11 3.276 11.775 -2.006 1.00 0.00 C ATOM 192 C GLN A 11 3.249 10.468 -1.226 1.00 0.00 C ATOM 193 O GLN A 11 3.757 10.385 -0.108 1.00 0.00 O ATOM 194 CB GLN A 11 1.973 12.545 -1.782 1.00 0.00 C ATOM 195 CG GLN A 11 1.982 13.941 -2.382 1.00 0.00 C ATOM 196 CD GLN A 11 2.092 15.024 -1.328 1.00 0.00 C ATOM 197 OE1 GLN A 11 1.122 15.724 -1.037 1.00 0.00 O ATOM 198 NE2 GLN A 11 3.277 15.164 -0.746 1.00 0.00 N ATOM 0 HA GLN A 11 4.107 12.385 -1.651 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.147 11.979 -2.213 1.00 0.00 H new ATOM 0 HB3 GLN A 11 1.784 12.620 -0.711 1.00 0.00 H new ATOM 0 HG2 GLN A 11 2.817 14.029 -3.077 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.069 14.091 -2.959 1.00 0.00 H new ATOM 0 HE21 GLN A 11 4.053 14.561 -1.019 1.00 0.00 H new ATOM 0 HE22 GLN A 11 3.411 15.874 -0.026 1.00 0.00 H new ATOM 207 N ILE A 12 2.667 9.445 -1.841 1.00 0.00 N ATOM 208 CA ILE A 12 2.576 8.133 -1.224 1.00 0.00 C ATOM 209 C ILE A 12 3.943 7.464 -1.123 1.00 0.00 C ATOM 210 O ILE A 12 4.300 6.922 -0.078 1.00 0.00 O ATOM 211 CB ILE A 12 1.622 7.203 -2.004 1.00 0.00 C ATOM 212 CG1 ILE A 12 0.419 7.999 -2.548 1.00 0.00 C ATOM 213 CG2 ILE A 12 1.165 6.075 -1.109 1.00 0.00 C ATOM 214 CD1 ILE A 12 -0.786 7.149 -2.921 1.00 0.00 C ATOM 0 H ILE A 12 2.250 9.503 -2.770 1.00 0.00 H new ATOM 0 HA ILE A 12 2.180 8.293 -0.221 1.00 0.00 H new ATOM 0 HB ILE A 12 2.153 6.778 -2.855 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.114 8.729 -1.798 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.738 8.559 -3.427 1.00 0.00 H new ATOM 0 HG21 ILE A 12 0.492 5.421 -1.663 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.030 5.504 -0.772 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.643 6.485 -0.245 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.583 7.792 -3.294 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.503 6.436 -3.695 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.137 6.609 -2.042 1.00 0.00 H new ATOM 226 N MET A 13 4.701 7.483 -2.220 1.00 0.00 N ATOM 227 CA MET A 13 5.996 6.833 -2.261 1.00 0.00 C ATOM 228 C MET A 13 6.898 7.298 -1.132 1.00 0.00 C ATOM 229 O MET A 13 7.732 6.541 -0.637 1.00 0.00 O ATOM 230 CB MET A 13 6.678 7.096 -3.604 1.00 0.00 C ATOM 231 CG MET A 13 7.187 8.517 -3.801 1.00 0.00 C ATOM 232 SD MET A 13 8.913 8.570 -4.318 1.00 0.00 S ATOM 233 CE MET A 13 8.900 7.394 -5.669 1.00 0.00 C ATOM 0 H MET A 13 4.433 7.944 -3.089 1.00 0.00 H new ATOM 0 HA MET A 13 5.827 5.763 -2.138 1.00 0.00 H new ATOM 0 HB2 MET A 13 7.517 6.408 -3.709 1.00 0.00 H new ATOM 0 HB3 MET A 13 5.974 6.864 -4.403 1.00 0.00 H new ATOM 0 HG2 MET A 13 6.572 9.019 -4.548 1.00 0.00 H new ATOM 0 HG3 MET A 13 7.073 9.072 -2.870 1.00 0.00 H new ATOM 0 HE1 MET A 13 9.632 7.694 -6.419 1.00 0.00 H new ATOM 0 HE2 MET A 13 9.152 6.403 -5.291 1.00 0.00 H new ATOM 0 HE3 MET A 13 7.908 7.369 -6.120 1.00 0.00 H new ATOM 243 N MET A 14 6.743 8.550 -0.742 1.00 0.00 N ATOM 244 CA MET A 14 7.582 9.126 0.283 1.00 0.00 C ATOM 245 C MET A 14 7.070 8.783 1.683 1.00 0.00 C ATOM 246 O MET A 14 7.803 8.912 2.664 1.00 0.00 O ATOM 247 CB MET A 14 7.663 10.638 0.070 1.00 0.00 C ATOM 248 CG MET A 14 8.166 11.417 1.275 1.00 0.00 C ATOM 249 SD MET A 14 8.995 12.952 0.817 1.00 0.00 S ATOM 250 CE MET A 14 7.958 14.156 1.645 1.00 0.00 C ATOM 0 H MET A 14 6.042 9.185 -1.123 1.00 0.00 H new ATOM 0 HA MET A 14 8.583 8.701 0.206 1.00 0.00 H new ATOM 0 HB2 MET A 14 8.320 10.839 -0.777 1.00 0.00 H new ATOM 0 HB3 MET A 14 6.674 11.008 -0.199 1.00 0.00 H new ATOM 0 HG2 MET A 14 7.326 11.645 1.931 1.00 0.00 H new ATOM 0 HG3 MET A 14 8.855 10.793 1.844 1.00 0.00 H new ATOM 0 HE1 MET A 14 8.342 15.158 1.456 1.00 0.00 H new ATOM 0 HE2 MET A 14 6.939 14.081 1.265 1.00 0.00 H new ATOM 0 HE3 MET A 14 7.961 13.962 2.718 1.00 0.00 H new ATOM 260 N GLN A 15 5.815 8.348 1.778 1.00 0.00 N ATOM 261 CA GLN A 15 5.237 8.002 3.071 1.00 0.00 C ATOM 262 C GLN A 15 5.275 6.497 3.316 1.00 0.00 C ATOM 263 O GLN A 15 5.672 6.050 4.391 1.00 0.00 O ATOM 264 CB GLN A 15 3.794 8.504 3.155 1.00 0.00 C ATOM 265 CG GLN A 15 3.657 10.004 2.948 1.00 0.00 C ATOM 266 CD GLN A 15 3.906 10.793 4.218 1.00 0.00 C ATOM 267 OE1 GLN A 15 3.469 10.403 5.301 1.00 0.00 O ATOM 268 NE2 GLN A 15 4.612 11.911 4.092 1.00 0.00 N ATOM 0 H GLN A 15 5.186 8.228 0.984 1.00 0.00 H new ATOM 0 HA GLN A 15 5.836 8.486 3.842 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.194 7.986 2.406 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.383 8.241 4.130 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.360 10.327 2.180 1.00 0.00 H new ATOM 0 HG3 GLN A 15 2.656 10.226 2.577 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.955 12.197 3.175 1.00 0.00 H new ATOM 0 HE22 GLN A 15 4.811 12.484 4.912 1.00 0.00 H new ATOM 277 N ILE A 16 4.885 5.714 2.310 1.00 0.00 N ATOM 278 CA ILE A 16 4.899 4.258 2.431 1.00 0.00 C ATOM 279 C ILE A 16 4.361 3.579 1.170 1.00 0.00 C ATOM 280 O ILE A 16 3.424 2.783 1.237 1.00 0.00 O ATOM 281 CB ILE A 16 4.086 3.782 3.652 1.00 0.00 C ATOM 282 CG1 ILE A 16 4.121 2.255 3.760 1.00 0.00 C ATOM 283 CG2 ILE A 16 2.653 4.279 3.561 1.00 0.00 C ATOM 284 CD1 ILE A 16 4.290 1.752 5.177 1.00 0.00 C ATOM 0 H ILE A 16 4.558 6.061 1.409 1.00 0.00 H new ATOM 0 HA ILE A 16 5.942 3.972 2.566 1.00 0.00 H new ATOM 0 HB ILE A 16 4.539 4.198 4.552 1.00 0.00 H new ATOM 0 HG12 ILE A 16 3.198 1.849 3.347 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.939 1.874 3.148 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.093 3.935 4.430 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.647 5.369 3.534 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.190 3.891 2.654 1.00 0.00 H new ATOM 0 HD11 ILE A 16 4.306 0.662 5.177 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.227 2.129 5.587 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.459 2.102 5.789 1.00 0.00 H new ATOM 296 N LEU A 17 4.957 3.885 0.023 1.00 0.00 N ATOM 297 CA LEU A 17 4.540 3.273 -1.237 1.00 0.00 C ATOM 298 C LEU A 17 5.757 2.920 -2.088 1.00 0.00 C ATOM 299 O LEU A 17 6.643 3.749 -2.298 1.00 0.00 O ATOM 300 CB LEU A 17 3.595 4.210 -1.999 1.00 0.00 C ATOM 301 CG LEU A 17 3.371 3.902 -3.487 1.00 0.00 C ATOM 302 CD1 LEU A 17 4.403 4.623 -4.344 1.00 0.00 C ATOM 303 CD2 LEU A 17 3.398 2.403 -3.755 1.00 0.00 C ATOM 0 H LEU A 17 5.726 4.549 -0.062 1.00 0.00 H new ATOM 0 HA LEU A 17 4.002 2.352 -1.015 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.626 4.197 -1.499 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.983 5.225 -1.916 1.00 0.00 H new ATOM 0 HG LEU A 17 2.380 4.267 -3.758 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.228 4.393 -5.395 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.317 5.699 -4.189 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.403 4.295 -4.062 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.236 2.220 -4.817 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.366 1.998 -3.460 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.611 1.916 -3.179 1.00 0.00 H new ATOM 315 N THR A 18 5.797 1.681 -2.568 1.00 0.00 N ATOM 316 CA THR A 18 6.906 1.215 -3.392 1.00 0.00 C ATOM 317 C THR A 18 6.435 0.903 -4.809 1.00 0.00 C ATOM 318 O THR A 18 5.340 0.373 -5.007 1.00 0.00 O ATOM 319 CB THR A 18 7.542 -0.030 -2.770 1.00 0.00 C ATOM 320 OG1 THR A 18 6.545 -0.912 -2.283 1.00 0.00 O ATOM 321 CG2 THR A 18 8.478 0.284 -1.623 1.00 0.00 C ATOM 0 H THR A 18 5.074 0.982 -2.400 1.00 0.00 H new ATOM 0 HA THR A 18 7.650 2.010 -3.441 1.00 0.00 H new ATOM 0 HB THR A 18 8.119 -0.490 -3.572 1.00 0.00 H new ATOM 0 HG1 THR A 18 6.873 -1.834 -2.329 1.00 0.00 H new ATOM 0 HG21 THR A 18 8.894 -0.643 -1.228 1.00 0.00 H new ATOM 0 HG22 THR A 18 9.287 0.922 -1.978 1.00 0.00 H new ATOM 0 HG23 THR A 18 7.928 0.799 -0.835 1.00 0.00 H new ATOM 329 N PRO A 19 7.259 1.221 -5.820 1.00 0.00 N ATOM 330 CA PRO A 19 6.917 0.974 -7.224 1.00 0.00 C ATOM 331 C PRO A 19 6.394 -0.440 -7.447 1.00 0.00 C ATOM 332 O PRO A 19 5.555 -0.675 -8.318 1.00 0.00 O ATOM 333 CB PRO A 19 8.247 1.180 -7.949 1.00 0.00 C ATOM 334 CG PRO A 19 8.993 2.146 -7.097 1.00 0.00 C ATOM 335 CD PRO A 19 8.585 1.853 -5.676 1.00 0.00 C ATOM 0 HA PRO A 19 6.120 1.629 -7.577 1.00 0.00 H new ATOM 0 HB2 PRO A 19 8.791 0.241 -8.054 1.00 0.00 H new ATOM 0 HB3 PRO A 19 8.094 1.574 -8.954 1.00 0.00 H new ATOM 0 HG2 PRO A 19 10.069 2.029 -7.225 1.00 0.00 H new ATOM 0 HG3 PRO A 19 8.750 3.173 -7.368 1.00 0.00 H new ATOM 0 HD2 PRO A 19 9.295 1.188 -5.184 1.00 0.00 H new ATOM 0 HD3 PRO A 19 8.533 2.763 -5.078 1.00 0.00 H new ATOM 343 N GLU A 20 6.892 -1.381 -6.650 1.00 0.00 N ATOM 344 CA GLU A 20 6.467 -2.771 -6.749 1.00 0.00 C ATOM 345 C GLU A 20 5.058 -2.948 -6.194 1.00 0.00 C ATOM 346 O GLU A 20 4.291 -3.784 -6.671 1.00 0.00 O ATOM 347 CB GLU A 20 7.443 -3.677 -5.997 1.00 0.00 C ATOM 348 CG GLU A 20 8.892 -3.233 -6.109 1.00 0.00 C ATOM 349 CD GLU A 20 9.868 -4.308 -5.675 1.00 0.00 C ATOM 350 OE1 GLU A 20 9.481 -5.496 -5.673 1.00 0.00 O ATOM 351 OE2 GLU A 20 11.020 -3.964 -5.339 1.00 0.00 O ATOM 0 H GLU A 20 7.591 -1.205 -5.928 1.00 0.00 H new ATOM 0 HA GLU A 20 6.460 -3.051 -7.802 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.161 -3.707 -4.945 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.352 -4.693 -6.381 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.103 -2.952 -7.141 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.043 -2.343 -5.499 1.00 0.00 H new ATOM 358 N ALA A 21 4.727 -2.161 -5.176 1.00 0.00 N ATOM 359 CA ALA A 21 3.414 -2.236 -4.545 1.00 0.00 C ATOM 360 C ALA A 21 2.296 -2.013 -5.559 1.00 0.00 C ATOM 361 O ALA A 21 1.325 -2.769 -5.601 1.00 0.00 O ATOM 362 CB ALA A 21 3.313 -1.225 -3.413 1.00 0.00 C ATOM 0 H ALA A 21 5.350 -1.463 -4.770 1.00 0.00 H new ATOM 0 HA ALA A 21 3.297 -3.239 -4.134 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.328 -1.293 -2.952 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.079 -1.437 -2.667 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.460 -0.220 -3.809 1.00 0.00 H new ATOM 368 N ARG A 22 2.432 -0.969 -6.372 1.00 0.00 N ATOM 369 CA ARG A 22 1.423 -0.652 -7.378 1.00 0.00 C ATOM 370 C ARG A 22 1.405 -1.704 -8.483 1.00 0.00 C ATOM 371 O ARG A 22 0.348 -2.234 -8.834 1.00 0.00 O ATOM 372 CB ARG A 22 1.685 0.731 -7.980 1.00 0.00 C ATOM 373 CG ARG A 22 1.977 1.805 -6.950 1.00 0.00 C ATOM 374 CD ARG A 22 1.236 3.094 -7.267 1.00 0.00 C ATOM 375 NE ARG A 22 1.520 4.145 -6.294 1.00 0.00 N ATOM 376 CZ ARG A 22 0.721 5.187 -6.081 1.00 0.00 C ATOM 377 NH1 ARG A 22 -0.406 5.316 -6.768 1.00 0.00 N ATOM 378 NH2 ARG A 22 1.050 6.100 -5.177 1.00 0.00 N ATOM 0 H ARG A 22 3.227 -0.331 -6.354 1.00 0.00 H new ATOM 0 HA ARG A 22 0.449 -0.648 -6.888 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.527 0.663 -8.668 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.817 1.031 -8.567 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.687 1.451 -5.961 1.00 0.00 H new ATOM 0 HG3 ARG A 22 3.049 1.998 -6.918 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.516 3.437 -8.263 1.00 0.00 H new ATOM 0 HD3 ARG A 22 0.164 2.900 -7.287 1.00 0.00 H new ATOM 0 HE ARG A 22 2.378 4.076 -5.747 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.663 4.615 -7.463 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.016 6.116 -6.602 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.915 6.003 -4.646 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.438 6.899 -5.013 1.00 0.00 H new ATOM 392 N SER A 23 2.582 -2.012 -9.020 1.00 0.00 N ATOM 393 CA SER A 23 2.700 -3.007 -10.080 1.00 0.00 C ATOM 394 C SER A 23 2.290 -4.384 -9.570 1.00 0.00 C ATOM 395 O SER A 23 1.746 -5.197 -10.317 1.00 0.00 O ATOM 396 CB SER A 23 4.134 -3.051 -10.611 1.00 0.00 C ATOM 397 OG SER A 23 4.591 -1.755 -10.955 1.00 0.00 O ATOM 0 H SER A 23 3.466 -1.588 -8.739 1.00 0.00 H new ATOM 0 HA SER A 23 2.031 -2.723 -10.893 1.00 0.00 H new ATOM 0 HB2 SER A 23 4.791 -3.483 -9.856 1.00 0.00 H new ATOM 0 HB3 SER A 23 4.182 -3.701 -11.485 1.00 0.00 H new ATOM 0 HG SER A 23 4.931 -1.305 -10.154 1.00 0.00 H new ATOM 403 N ARG A 24 2.549 -4.633 -8.292 1.00 0.00 N ATOM 404 CA ARG A 24 2.193 -5.901 -7.673 1.00 0.00 C ATOM 405 C ARG A 24 0.684 -6.109 -7.711 1.00 0.00 C ATOM 406 O ARG A 24 0.200 -7.157 -8.136 1.00 0.00 O ATOM 407 CB ARG A 24 2.690 -5.942 -6.231 1.00 0.00 C ATOM 408 CG ARG A 24 2.299 -7.208 -5.494 1.00 0.00 C ATOM 409 CD ARG A 24 2.231 -6.974 -3.995 1.00 0.00 C ATOM 410 NE ARG A 24 3.362 -7.577 -3.295 1.00 0.00 N ATOM 411 CZ ARG A 24 3.405 -8.850 -2.910 1.00 0.00 C ATOM 412 NH1 ARG A 24 2.382 -9.658 -3.154 1.00 0.00 N ATOM 413 NH2 ARG A 24 4.475 -9.315 -2.279 1.00 0.00 N ATOM 0 H ARG A 24 3.005 -3.971 -7.664 1.00 0.00 H new ATOM 0 HA ARG A 24 2.670 -6.704 -8.235 1.00 0.00 H new ATOM 0 HB2 ARG A 24 3.776 -5.849 -6.226 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.294 -5.081 -5.693 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.331 -7.557 -5.854 1.00 0.00 H new ATOM 0 HG3 ARG A 24 3.022 -7.995 -5.709 1.00 0.00 H new ATOM 0 HD2 ARG A 24 2.211 -5.903 -3.796 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.301 -7.388 -3.605 1.00 0.00 H new ATOM 0 HE ARG A 24 4.168 -6.987 -3.089 1.00 0.00 H new ATOM 0 HH11 ARG A 24 1.557 -9.304 -3.639 1.00 0.00 H new ATOM 0 HH12 ARG A 24 2.420 -10.633 -2.857 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.264 -8.697 -2.089 1.00 0.00 H new ATOM 0 HH22 ARG A 24 4.509 -10.291 -1.983 1.00 0.00 H new ATOM 427 N LEU A 25 -0.055 -5.094 -7.272 1.00 0.00 N ATOM 428 CA LEU A 25 -1.511 -5.151 -7.278 1.00 0.00 C ATOM 429 C LEU A 25 -2.020 -5.531 -8.657 1.00 0.00 C ATOM 430 O LEU A 25 -2.781 -6.486 -8.812 1.00 0.00 O ATOM 431 CB LEU A 25 -2.087 -3.792 -6.879 1.00 0.00 C ATOM 432 CG LEU A 25 -3.460 -3.831 -6.209 1.00 0.00 C ATOM 433 CD1 LEU A 25 -3.317 -4.008 -4.706 1.00 0.00 C ATOM 434 CD2 LEU A 25 -4.228 -2.561 -6.527 1.00 0.00 C ATOM 0 H LEU A 25 0.332 -4.223 -6.908 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.831 -5.907 -6.561 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.385 -3.304 -6.202 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.155 -3.169 -7.771 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.016 -4.684 -6.599 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.305 -4.033 -4.247 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.796 -4.942 -4.498 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.747 -3.175 -4.294 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.205 -2.597 -6.046 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.673 -1.698 -6.158 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.358 -2.475 -7.606 1.00 0.00 H new ATOM 446 N ALA A 26 -1.565 -4.793 -9.657 1.00 0.00 N ATOM 447 CA ALA A 26 -1.954 -5.057 -11.036 1.00 0.00 C ATOM 448 C ALA A 26 -1.701 -6.517 -11.388 1.00 0.00 C ATOM 449 O ALA A 26 -2.461 -7.132 -12.136 1.00 0.00 O ATOM 450 CB ALA A 26 -1.185 -4.149 -11.981 1.00 0.00 C ATOM 0 H ALA A 26 -0.926 -4.006 -9.541 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.019 -4.853 -11.142 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.484 -4.356 -13.008 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.402 -3.108 -11.742 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.116 -4.331 -11.871 1.00 0.00 H new ATOM 456 N ASN A 27 -0.613 -7.056 -10.852 1.00 0.00 N ATOM 457 CA ASN A 27 -0.240 -8.442 -11.090 1.00 0.00 C ATOM 458 C ASN A 27 -1.153 -9.402 -10.337 1.00 0.00 C ATOM 459 O ASN A 27 -1.672 -10.357 -10.906 1.00 0.00 O ATOM 460 CB ASN A 27 1.206 -8.667 -10.651 1.00 0.00 C ATOM 461 CG ASN A 27 1.660 -10.097 -10.862 1.00 0.00 C ATOM 462 OD1 ASN A 27 1.151 -10.801 -11.735 1.00 0.00 O ATOM 463 ND2 ASN A 27 2.627 -10.535 -10.063 1.00 0.00 N ATOM 0 H ASN A 27 0.030 -6.548 -10.245 1.00 0.00 H new ATOM 0 HA ASN A 27 -0.343 -8.640 -12.157 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.860 -7.996 -11.207 1.00 0.00 H new ATOM 0 HB3 ASN A 27 1.307 -8.409 -9.597 1.00 0.00 H new ATOM 0 HD21 ASN A 27 2.976 -11.489 -10.160 1.00 0.00 H new ATOM 0 HD22 ASN A 27 3.020 -9.918 -9.353 1.00 0.00 H new ATOM 470 N LEU A 28 -1.308 -9.160 -9.044 1.00 0.00 N ATOM 471 CA LEU A 28 -2.124 -10.013 -8.188 1.00 0.00 C ATOM 472 C LEU A 28 -3.542 -10.195 -8.733 1.00 0.00 C ATOM 473 O LEU A 28 -4.221 -11.166 -8.404 1.00 0.00 O ATOM 474 CB LEU A 28 -2.176 -9.429 -6.783 1.00 0.00 C ATOM 475 CG LEU A 28 -1.355 -10.185 -5.737 1.00 0.00 C ATOM 476 CD1 LEU A 28 -0.440 -9.230 -4.989 1.00 0.00 C ATOM 477 CD2 LEU A 28 -2.270 -10.923 -4.771 1.00 0.00 C ATOM 0 H LEU A 28 -0.876 -8.373 -8.560 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.659 -10.998 -8.164 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.826 -8.398 -6.822 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.215 -9.401 -6.456 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.736 -10.922 -6.249 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.137 -9.784 -4.249 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.239 -8.750 -5.694 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.039 -8.470 -4.488 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.668 -11.455 -4.034 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.916 -10.207 -4.263 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.882 -11.636 -5.323 1.00 0.00 H new ATOM 489 N ARG A 29 -4.000 -9.239 -9.524 1.00 0.00 N ATOM 490 CA ARG A 29 -5.362 -9.270 -10.050 1.00 0.00 C ATOM 491 C ARG A 29 -5.691 -10.616 -10.692 1.00 0.00 C ATOM 492 O ARG A 29 -6.846 -11.043 -10.684 1.00 0.00 O ATOM 493 CB ARG A 29 -5.552 -8.149 -11.074 1.00 0.00 C ATOM 494 CG ARG A 29 -6.763 -7.273 -10.804 1.00 0.00 C ATOM 495 CD ARG A 29 -6.356 -5.914 -10.256 1.00 0.00 C ATOM 496 NE ARG A 29 -6.018 -4.971 -11.319 1.00 0.00 N ATOM 497 CZ ARG A 29 -5.427 -3.801 -11.102 1.00 0.00 C ATOM 498 NH1 ARG A 29 -5.107 -3.435 -9.867 1.00 0.00 N ATOM 499 NH2 ARG A 29 -5.153 -2.996 -12.119 1.00 0.00 N ATOM 0 H ARG A 29 -3.452 -8.431 -9.818 1.00 0.00 H new ATOM 0 HA ARG A 29 -6.043 -9.123 -9.212 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.659 -7.525 -11.086 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.647 -8.588 -12.067 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.330 -7.140 -11.725 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.422 -7.771 -10.093 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.170 -5.507 -9.656 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.500 -6.033 -9.592 1.00 0.00 H new ATOM 0 HE ARG A 29 -6.248 -5.224 -12.280 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.315 -4.052 -9.082 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.653 -2.536 -9.703 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -5.396 -3.275 -13.070 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.699 -2.098 -11.951 1.00 0.00 H new ATOM 513 N LEU A 30 -4.685 -11.293 -11.237 1.00 0.00 N ATOM 514 CA LEU A 30 -4.903 -12.582 -11.874 1.00 0.00 C ATOM 515 C LEU A 30 -4.725 -13.737 -10.890 1.00 0.00 C ATOM 516 O LEU A 30 -5.126 -14.866 -11.175 1.00 0.00 O ATOM 517 CB LEU A 30 -3.959 -12.758 -13.063 1.00 0.00 C ATOM 518 CG LEU A 30 -2.533 -12.248 -12.861 1.00 0.00 C ATOM 519 CD1 LEU A 30 -1.898 -12.906 -11.645 1.00 0.00 C ATOM 520 CD2 LEU A 30 -1.698 -12.504 -14.105 1.00 0.00 C ATOM 0 H LEU A 30 -3.717 -10.971 -11.249 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.934 -12.600 -12.229 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.914 -13.818 -13.313 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.389 -12.246 -13.923 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.571 -11.173 -12.687 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.883 -12.531 -11.517 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.486 -12.673 -10.757 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.870 -13.986 -11.789 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.685 -12.135 -13.945 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.667 -13.574 -14.308 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.143 -11.986 -14.955 1.00 0.00 H new ATOM 532 N THR A 31 -4.131 -13.461 -9.728 1.00 0.00 N ATOM 533 CA THR A 31 -3.929 -14.496 -8.717 1.00 0.00 C ATOM 534 C THR A 31 -5.194 -14.689 -7.885 1.00 0.00 C ATOM 535 O THR A 31 -5.987 -15.594 -8.149 1.00 0.00 O ATOM 536 CB THR A 31 -2.749 -14.149 -7.806 1.00 0.00 C ATOM 537 OG1 THR A 31 -2.871 -12.832 -7.303 1.00 0.00 O ATOM 538 CG2 THR A 31 -1.406 -14.258 -8.496 1.00 0.00 C ATOM 0 H THR A 31 -3.785 -12.538 -9.466 1.00 0.00 H new ATOM 0 HA THR A 31 -3.703 -15.429 -9.234 1.00 0.00 H new ATOM 0 HB THR A 31 -2.784 -14.882 -7.000 1.00 0.00 H new ATOM 0 HG1 THR A 31 -3.619 -12.380 -7.747 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.614 -13.999 -7.794 1.00 0.00 H new ATOM 0 HG22 THR A 31 -1.259 -15.279 -8.847 1.00 0.00 H new ATOM 0 HG23 THR A 31 -1.376 -13.575 -9.345 1.00 0.00 H new ATOM 546 N ARG A 32 -5.385 -13.834 -6.884 1.00 0.00 N ATOM 547 CA ARG A 32 -6.574 -13.912 -6.039 1.00 0.00 C ATOM 548 C ARG A 32 -7.366 -12.607 -6.091 1.00 0.00 C ATOM 549 O ARG A 32 -6.808 -11.529 -5.889 1.00 0.00 O ATOM 550 CB ARG A 32 -6.186 -14.207 -4.585 1.00 0.00 C ATOM 551 CG ARG A 32 -4.935 -15.059 -4.439 1.00 0.00 C ATOM 552 CD ARG A 32 -4.889 -15.759 -3.090 1.00 0.00 C ATOM 553 NE ARG A 32 -4.269 -17.077 -3.177 1.00 0.00 N ATOM 554 CZ ARG A 32 -3.740 -17.713 -2.135 1.00 0.00 C ATOM 555 NH1 ARG A 32 -3.758 -17.152 -0.934 1.00 0.00 N ATOM 556 NH2 ARG A 32 -3.194 -18.910 -2.294 1.00 0.00 N ATOM 0 H ARG A 32 -4.738 -13.085 -6.639 1.00 0.00 H new ATOM 0 HA ARG A 32 -7.195 -14.723 -6.419 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.033 -13.263 -4.062 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -7.017 -14.713 -4.094 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -4.905 -15.802 -5.236 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.051 -14.432 -4.554 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -4.334 -15.144 -2.381 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.902 -15.860 -2.700 1.00 0.00 H new ATOM 0 HE ARG A 32 -4.240 -17.536 -4.087 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -4.178 -16.231 -0.808 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -3.352 -17.641 -0.136 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -3.179 -19.345 -3.216 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -2.789 -19.396 -1.494 1.00 0.00 H new ATOM 570 N PRO A 33 -8.684 -12.685 -6.343 1.00 0.00 N ATOM 571 CA PRO A 33 -9.549 -11.505 -6.364 1.00 0.00 C ATOM 572 C PRO A 33 -9.784 -10.949 -4.964 1.00 0.00 C ATOM 573 O PRO A 33 -10.137 -9.781 -4.797 1.00 0.00 O ATOM 574 CB PRO A 33 -10.855 -12.037 -6.954 1.00 0.00 C ATOM 575 CG PRO A 33 -10.880 -13.472 -6.557 1.00 0.00 C ATOM 576 CD PRO A 33 -9.446 -13.929 -6.567 1.00 0.00 C ATOM 0 HA PRO A 33 -9.115 -10.683 -6.933 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -11.718 -11.500 -6.560 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -10.877 -11.924 -8.038 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -11.322 -13.596 -5.569 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -11.482 -14.059 -7.251 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -9.254 -14.663 -5.785 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -9.181 -14.396 -7.515 1.00 0.00 H new ATOM 584 N ASP A 34 -9.618 -11.809 -3.962 1.00 0.00 N ATOM 585 CA ASP A 34 -9.824 -11.421 -2.572 1.00 0.00 C ATOM 586 C ASP A 34 -8.908 -10.269 -2.188 1.00 0.00 C ATOM 587 O ASP A 34 -9.356 -9.253 -1.653 1.00 0.00 O ATOM 588 CB ASP A 34 -9.574 -12.618 -1.653 1.00 0.00 C ATOM 589 CG ASP A 34 -10.858 -13.323 -1.259 1.00 0.00 C ATOM 590 OD1 ASP A 34 -11.588 -13.777 -2.166 1.00 0.00 O ATOM 591 OD2 ASP A 34 -11.133 -13.420 -0.046 1.00 0.00 O ATOM 0 H ASP A 34 -9.340 -12.782 -4.089 1.00 0.00 H new ATOM 0 HA ASP A 34 -10.856 -11.089 -2.458 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.913 -13.325 -2.154 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -9.057 -12.281 -0.754 1.00 0.00 H new ATOM 596 N PHE A 35 -7.626 -10.432 -2.475 1.00 0.00 N ATOM 597 CA PHE A 35 -6.635 -9.415 -2.164 1.00 0.00 C ATOM 598 C PHE A 35 -7.025 -8.078 -2.792 1.00 0.00 C ATOM 599 O PHE A 35 -7.078 -7.055 -2.114 1.00 0.00 O ATOM 600 CB PHE A 35 -5.254 -9.894 -2.643 1.00 0.00 C ATOM 601 CG PHE A 35 -4.302 -8.811 -3.077 1.00 0.00 C ATOM 602 CD1 PHE A 35 -3.590 -8.080 -2.144 1.00 0.00 C ATOM 603 CD2 PHE A 35 -4.123 -8.529 -4.419 1.00 0.00 C ATOM 604 CE1 PHE A 35 -2.714 -7.088 -2.542 1.00 0.00 C ATOM 605 CE2 PHE A 35 -3.247 -7.541 -4.825 1.00 0.00 C ATOM 606 CZ PHE A 35 -2.542 -6.819 -3.885 1.00 0.00 C ATOM 0 H PHE A 35 -7.246 -11.265 -2.926 1.00 0.00 H new ATOM 0 HA PHE A 35 -6.590 -9.259 -1.086 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.787 -10.461 -1.838 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -5.397 -10.582 -3.476 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -3.720 -8.287 -1.092 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -4.675 -9.089 -5.159 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.165 -6.524 -1.803 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -3.114 -7.334 -5.877 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.857 -6.045 -4.199 1.00 0.00 H new ATOM 616 N VAL A 36 -7.307 -8.105 -4.087 1.00 0.00 N ATOM 617 CA VAL A 36 -7.654 -6.898 -4.823 1.00 0.00 C ATOM 618 C VAL A 36 -8.918 -6.228 -4.283 1.00 0.00 C ATOM 619 O VAL A 36 -9.008 -5.003 -4.257 1.00 0.00 O ATOM 620 CB VAL A 36 -7.841 -7.201 -6.327 1.00 0.00 C ATOM 621 CG1 VAL A 36 -8.278 -5.959 -7.088 1.00 0.00 C ATOM 622 CG2 VAL A 36 -6.561 -7.768 -6.919 1.00 0.00 C ATOM 0 H VAL A 36 -7.302 -8.954 -4.652 1.00 0.00 H new ATOM 0 HA VAL A 36 -6.821 -6.208 -4.689 1.00 0.00 H new ATOM 0 HB VAL A 36 -8.629 -7.947 -6.424 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -8.401 -6.203 -8.143 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -9.225 -5.600 -6.685 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -7.521 -5.182 -6.982 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -6.711 -7.975 -7.979 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.754 -7.045 -6.801 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.299 -8.691 -6.402 1.00 0.00 H new ATOM 632 N GLU A 37 -9.906 -7.024 -3.887 1.00 0.00 N ATOM 633 CA GLU A 37 -11.181 -6.473 -3.429 1.00 0.00 C ATOM 634 C GLU A 37 -11.020 -5.622 -2.171 1.00 0.00 C ATOM 635 O GLU A 37 -11.390 -4.444 -2.160 1.00 0.00 O ATOM 636 CB GLU A 37 -12.173 -7.605 -3.160 1.00 0.00 C ATOM 637 CG GLU A 37 -12.441 -8.479 -4.375 1.00 0.00 C ATOM 638 CD GLU A 37 -13.841 -8.295 -4.928 1.00 0.00 C ATOM 639 OE1 GLU A 37 -14.802 -8.739 -4.266 1.00 0.00 O ATOM 640 OE2 GLU A 37 -13.974 -7.707 -6.021 1.00 0.00 O ATOM 0 H GLU A 37 -9.852 -8.042 -3.873 1.00 0.00 H new ATOM 0 HA GLU A 37 -11.560 -5.827 -4.221 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.790 -8.228 -2.352 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -13.115 -7.178 -2.815 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -11.714 -8.247 -5.153 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.296 -9.525 -4.105 1.00 0.00 H new ATOM 647 N GLN A 38 -10.415 -6.191 -1.134 1.00 0.00 N ATOM 648 CA GLN A 38 -10.218 -5.466 0.109 1.00 0.00 C ATOM 649 C GLN A 38 -9.152 -4.398 -0.060 1.00 0.00 C ATOM 650 O GLN A 38 -9.363 -3.232 0.270 1.00 0.00 O ATOM 651 CB GLN A 38 -9.813 -6.431 1.224 1.00 0.00 C ATOM 652 CG GLN A 38 -9.351 -5.741 2.493 1.00 0.00 C ATOM 653 CD GLN A 38 -10.225 -4.563 2.879 1.00 0.00 C ATOM 654 OE1 GLN A 38 -9.727 -3.479 3.181 1.00 0.00 O ATOM 655 NE2 GLN A 38 -11.537 -4.772 2.868 1.00 0.00 N ATOM 0 H GLN A 38 -10.056 -7.146 -1.132 1.00 0.00 H new ATOM 0 HA GLN A 38 -11.158 -4.984 0.378 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.660 -7.075 1.460 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -9.013 -7.076 0.861 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -9.342 -6.463 3.310 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -8.325 -5.397 2.360 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -11.905 -5.688 2.611 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -12.176 -4.017 3.117 1.00 0.00 H new ATOM 664 N ILE A 39 -8.002 -4.810 -0.569 1.00 0.00 N ATOM 665 CA ILE A 39 -6.900 -3.891 -0.771 1.00 0.00 C ATOM 666 C ILE A 39 -7.349 -2.692 -1.603 1.00 0.00 C ATOM 667 O ILE A 39 -7.092 -1.559 -1.233 1.00 0.00 O ATOM 668 CB ILE A 39 -5.687 -4.594 -1.423 1.00 0.00 C ATOM 669 CG1 ILE A 39 -5.038 -5.542 -0.404 1.00 0.00 C ATOM 670 CG2 ILE A 39 -4.662 -3.586 -1.935 1.00 0.00 C ATOM 671 CD1 ILE A 39 -4.329 -4.824 0.720 1.00 0.00 C ATOM 0 H ILE A 39 -7.810 -5.772 -0.848 1.00 0.00 H new ATOM 0 HA ILE A 39 -6.581 -3.532 0.207 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.042 -5.164 -2.282 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.806 -6.191 0.017 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.325 -6.185 -0.920 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.824 -4.117 -2.387 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.127 -2.941 -2.680 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.302 -2.979 -1.104 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.894 -5.555 1.402 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.538 -4.196 0.309 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.042 -4.202 1.261 1.00 0.00 H new ATOM 683 N GLU A 40 -8.052 -2.934 -2.702 1.00 0.00 N ATOM 684 CA GLU A 40 -8.520 -1.832 -3.535 1.00 0.00 C ATOM 685 C GLU A 40 -9.312 -0.828 -2.705 1.00 0.00 C ATOM 686 O GLU A 40 -9.015 0.365 -2.715 1.00 0.00 O ATOM 687 CB GLU A 40 -9.385 -2.333 -4.686 1.00 0.00 C ATOM 688 CG GLU A 40 -8.588 -2.903 -5.845 1.00 0.00 C ATOM 689 CD GLU A 40 -8.592 -1.993 -7.057 1.00 0.00 C ATOM 690 OE1 GLU A 40 -9.545 -2.076 -7.860 1.00 0.00 O ATOM 691 OE2 GLU A 40 -7.644 -1.192 -7.200 1.00 0.00 O ATOM 0 H GLU A 40 -8.307 -3.864 -3.034 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.639 -1.342 -3.950 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.064 -3.099 -4.312 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.002 -1.511 -5.050 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.560 -3.073 -5.526 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.000 -3.873 -6.122 1.00 0.00 H new ATOM 698 N LEU A 41 -10.317 -1.317 -1.984 1.00 0.00 N ATOM 699 CA LEU A 41 -11.140 -0.448 -1.147 1.00 0.00 C ATOM 700 C LEU A 41 -10.279 0.301 -0.133 1.00 0.00 C ATOM 701 O LEU A 41 -10.343 1.527 -0.028 1.00 0.00 O ATOM 702 CB LEU A 41 -12.207 -1.266 -0.417 1.00 0.00 C ATOM 703 CG LEU A 41 -13.305 -1.845 -1.311 1.00 0.00 C ATOM 704 CD1 LEU A 41 -14.169 -2.821 -0.525 1.00 0.00 C ATOM 705 CD2 LEU A 41 -14.156 -0.731 -1.900 1.00 0.00 C ATOM 0 H LEU A 41 -10.580 -2.302 -1.962 1.00 0.00 H new ATOM 0 HA LEU A 41 -11.630 0.280 -1.794 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -11.718 -2.086 0.108 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -12.672 -0.635 0.340 1.00 0.00 H new ATOM 0 HG LEU A 41 -12.834 -2.386 -2.132 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -14.946 -3.224 -1.175 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -13.549 -3.636 -0.151 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -14.632 -2.303 0.315 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -14.932 -1.162 -2.533 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -14.620 -0.162 -1.094 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -13.527 -0.069 -2.496 1.00 0.00 H new ATOM 717 N GLN A 42 -9.471 -0.448 0.607 1.00 0.00 N ATOM 718 CA GLN A 42 -8.597 0.132 1.617 1.00 0.00 C ATOM 719 C GLN A 42 -7.561 1.063 0.983 1.00 0.00 C ATOM 720 O GLN A 42 -7.238 2.116 1.533 1.00 0.00 O ATOM 721 CB GLN A 42 -7.898 -0.986 2.399 1.00 0.00 C ATOM 722 CG GLN A 42 -7.893 -0.764 3.901 1.00 0.00 C ATOM 723 CD GLN A 42 -6.518 -0.409 4.432 1.00 0.00 C ATOM 724 OE1 GLN A 42 -5.630 -0.022 3.675 1.00 0.00 O ATOM 725 NE2 GLN A 42 -6.337 -0.544 5.741 1.00 0.00 N ATOM 0 H GLN A 42 -9.403 -1.462 0.525 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.205 0.725 2.300 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -8.391 -1.933 2.182 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.869 -1.074 2.050 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.592 0.035 4.149 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -8.250 -1.666 4.399 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.103 -0.869 6.331 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -5.432 -0.323 6.156 1.00 0.00 H new ATOM 734 N LEU A 43 -7.048 0.663 -0.176 1.00 0.00 N ATOM 735 CA LEU A 43 -6.032 1.433 -0.886 1.00 0.00 C ATOM 736 C LEU A 43 -6.617 2.664 -1.565 1.00 0.00 C ATOM 737 O LEU A 43 -6.117 3.775 -1.391 1.00 0.00 O ATOM 738 CB LEU A 43 -5.355 0.550 -1.938 1.00 0.00 C ATOM 739 CG LEU A 43 -3.949 0.988 -2.340 1.00 0.00 C ATOM 740 CD1 LEU A 43 -3.466 0.191 -3.542 1.00 0.00 C ATOM 741 CD2 LEU A 43 -3.906 2.481 -2.635 1.00 0.00 C ATOM 0 H LEU A 43 -7.323 -0.199 -0.648 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.304 1.771 -0.149 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.307 -0.470 -1.557 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.981 0.528 -2.830 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.280 0.791 -1.502 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.462 0.516 -3.815 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.448 -0.870 -3.292 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.141 0.354 -4.382 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.893 2.767 -2.919 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.590 2.710 -3.452 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.204 3.036 -1.746 1.00 0.00 H new ATOM 753 N ILE A 44 -7.666 2.462 -2.355 1.00 0.00 N ATOM 754 CA ILE A 44 -8.291 3.558 -3.083 1.00 0.00 C ATOM 755 C ILE A 44 -8.609 4.714 -2.147 1.00 0.00 C ATOM 756 O ILE A 44 -8.434 5.881 -2.495 1.00 0.00 O ATOM 757 CB ILE A 44 -9.588 3.109 -3.792 1.00 0.00 C ATOM 758 CG1 ILE A 44 -10.055 4.192 -4.766 1.00 0.00 C ATOM 759 CG2 ILE A 44 -10.682 2.796 -2.780 1.00 0.00 C ATOM 760 CD1 ILE A 44 -11.160 3.739 -5.695 1.00 0.00 C ATOM 0 H ILE A 44 -8.100 1.551 -2.507 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.577 3.884 -3.839 1.00 0.00 H new ATOM 0 HB ILE A 44 -9.376 2.198 -4.351 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -10.402 5.055 -4.197 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -9.205 4.524 -5.362 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -11.584 2.482 -3.305 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -10.349 1.995 -2.120 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -10.897 3.687 -2.189 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -11.439 4.560 -6.356 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -10.811 2.896 -6.291 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -12.027 3.435 -5.108 1.00 0.00 H new ATOM 772 N GLN A 45 -9.086 4.375 -0.959 1.00 0.00 N ATOM 773 CA GLN A 45 -9.450 5.360 0.022 1.00 0.00 C ATOM 774 C GLN A 45 -8.219 6.011 0.647 1.00 0.00 C ATOM 775 O GLN A 45 -8.183 7.224 0.846 1.00 0.00 O ATOM 776 CB GLN A 45 -10.294 4.683 1.086 1.00 0.00 C ATOM 777 CG GLN A 45 -11.754 5.078 1.010 1.00 0.00 C ATOM 778 CD GLN A 45 -12.497 4.850 2.313 1.00 0.00 C ATOM 779 OE1 GLN A 45 -12.505 3.743 2.851 1.00 0.00 O ATOM 780 NE2 GLN A 45 -13.130 5.900 2.825 1.00 0.00 N ATOM 0 H GLN A 45 -9.228 3.411 -0.658 1.00 0.00 H new ATOM 0 HA GLN A 45 -10.018 6.155 -0.461 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -10.208 3.602 0.979 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -9.903 4.938 2.071 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -11.826 6.130 0.736 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -12.238 4.508 0.217 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -13.097 6.799 2.345 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -13.649 5.807 3.698 1.00 0.00 H new ATOM 789 N LEU A 46 -7.219 5.194 0.968 1.00 0.00 N ATOM 790 CA LEU A 46 -6.002 5.684 1.607 1.00 0.00 C ATOM 791 C LEU A 46 -5.132 6.509 0.658 1.00 0.00 C ATOM 792 O LEU A 46 -4.766 7.638 0.970 1.00 0.00 O ATOM 793 CB LEU A 46 -5.190 4.507 2.153 1.00 0.00 C ATOM 794 CG LEU A 46 -5.422 4.192 3.632 1.00 0.00 C ATOM 795 CD1 LEU A 46 -6.896 3.919 3.893 1.00 0.00 C ATOM 796 CD2 LEU A 46 -4.572 3.007 4.061 1.00 0.00 C ATOM 0 H LEU A 46 -7.228 4.189 0.796 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.310 6.340 2.421 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -5.426 3.619 1.567 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.131 4.715 2.003 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.125 5.059 4.222 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -7.043 3.697 4.950 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -7.482 4.797 3.622 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.220 3.067 3.295 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.748 2.796 5.116 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.839 2.133 3.466 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.518 3.241 3.909 1.00 0.00 H new ATOM 808 N ALA A 47 -4.799 5.940 -0.497 1.00 0.00 N ATOM 809 CA ALA A 47 -3.926 6.613 -1.455 1.00 0.00 C ATOM 810 C ALA A 47 -4.566 7.876 -2.024 1.00 0.00 C ATOM 811 O ALA A 47 -3.955 8.945 -2.021 1.00 0.00 O ATOM 812 CB ALA A 47 -3.542 5.658 -2.576 1.00 0.00 C ATOM 0 H ALA A 47 -5.119 5.018 -0.792 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.026 6.920 -0.922 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.891 6.171 -3.284 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.018 4.799 -2.158 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.442 5.320 -3.090 1.00 0.00 H new ATOM 818 N GLN A 48 -5.787 7.748 -2.530 1.00 0.00 N ATOM 819 CA GLN A 48 -6.488 8.878 -3.133 1.00 0.00 C ATOM 820 C GLN A 48 -6.591 10.057 -2.169 1.00 0.00 C ATOM 821 O GLN A 48 -6.696 11.207 -2.598 1.00 0.00 O ATOM 822 CB GLN A 48 -7.882 8.452 -3.588 1.00 0.00 C ATOM 823 CG GLN A 48 -7.865 7.401 -4.683 1.00 0.00 C ATOM 824 CD GLN A 48 -9.256 7.032 -5.155 1.00 0.00 C ATOM 825 OE1 GLN A 48 -10.235 7.195 -4.426 1.00 0.00 O ATOM 826 NE2 GLN A 48 -9.352 6.542 -6.386 1.00 0.00 N ATOM 0 H GLN A 48 -6.313 6.874 -2.535 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.909 9.203 -3.997 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -8.433 8.064 -2.731 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -8.423 9.328 -3.945 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -7.284 7.771 -5.528 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -7.360 6.507 -4.316 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -8.514 6.424 -6.955 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -10.264 6.284 -6.762 1.00 0.00 H new ATOM 899 N ARG A 53 -2.587 9.398 4.345 1.00 0.00 N ATOM 900 CA ARG A 53 -2.934 8.019 4.023 1.00 0.00 C ATOM 901 C ARG A 53 -2.268 7.582 2.724 1.00 0.00 C ATOM 902 O ARG A 53 -2.516 8.158 1.666 1.00 0.00 O ATOM 903 CB ARG A 53 -4.453 7.868 3.911 1.00 0.00 C ATOM 904 CG ARG A 53 -5.185 8.118 5.218 1.00 0.00 C ATOM 905 CD ARG A 53 -6.538 7.425 5.242 1.00 0.00 C ATOM 906 NE ARG A 53 -6.781 6.746 6.510 1.00 0.00 N ATOM 907 CZ ARG A 53 -7.868 6.021 6.760 1.00 0.00 C ATOM 908 NH1 ARG A 53 -8.802 5.883 5.831 1.00 0.00 N ATOM 909 NH2 ARG A 53 -8.018 5.433 7.938 1.00 0.00 N ATOM 0 HA ARG A 53 -2.572 7.379 4.828 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -4.824 8.562 3.157 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -4.685 6.862 3.560 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -4.578 7.761 6.050 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -5.322 9.190 5.360 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.325 8.159 5.067 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -6.590 6.702 4.428 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.079 6.832 7.245 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -8.688 6.333 4.923 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -9.635 5.327 6.024 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -7.299 5.536 8.655 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -8.852 4.877 8.128 1.00 0.00 H new ATOM 923 N SER A 54 -1.392 6.589 2.816 1.00 0.00 N ATOM 924 CA SER A 54 -0.681 6.093 1.645 1.00 0.00 C ATOM 925 C SER A 54 -0.946 4.602 1.421 1.00 0.00 C ATOM 926 O SER A 54 -1.157 3.852 2.374 1.00 0.00 O ATOM 927 CB SER A 54 0.820 6.351 1.801 1.00 0.00 C ATOM 928 OG SER A 54 1.125 6.810 3.106 1.00 0.00 O ATOM 0 H SER A 54 -1.158 6.113 3.687 1.00 0.00 H new ATOM 0 HA SER A 54 -1.049 6.629 0.770 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.373 5.434 1.596 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.144 7.089 1.067 1.00 0.00 H new ATOM 0 HG SER A 54 1.076 7.789 3.128 1.00 0.00 H new ATOM 934 N LYS A 55 -0.912 4.175 0.156 1.00 0.00 N ATOM 935 CA LYS A 55 -1.156 2.783 -0.193 1.00 0.00 C ATOM 936 C LYS A 55 -0.151 1.850 0.476 1.00 0.00 C ATOM 937 O LYS A 55 1.007 2.210 0.694 1.00 0.00 O ATOM 938 CB LYS A 55 -1.137 2.609 -1.714 1.00 0.00 C ATOM 939 CG LYS A 55 0.244 2.471 -2.322 1.00 0.00 C ATOM 940 CD LYS A 55 0.148 2.047 -3.773 1.00 0.00 C ATOM 941 CE LYS A 55 0.613 0.611 -3.965 1.00 0.00 C ATOM 942 NZ LYS A 55 -0.108 -0.331 -3.064 1.00 0.00 N ATOM 0 H LYS A 55 -0.717 4.780 -0.642 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.144 2.511 0.178 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.722 1.726 -1.972 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.635 3.465 -2.169 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.776 3.420 -2.249 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.823 1.737 -1.761 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -0.882 2.146 -4.115 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.753 2.712 -4.389 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.456 0.314 -5.002 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.684 0.548 -3.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.369 -1.187 -3.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.509 -0.591 -2.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.968 0.127 -2.700 1.00 0.00 H new ATOM 956 N ILE A 56 -0.625 0.665 0.834 1.00 0.00 N ATOM 957 CA ILE A 56 0.192 -0.331 1.516 1.00 0.00 C ATOM 958 C ILE A 56 1.342 -0.825 0.641 1.00 0.00 C ATOM 959 O ILE A 56 1.193 -0.984 -0.571 1.00 0.00 O ATOM 960 CB ILE A 56 -0.660 -1.539 1.945 1.00 0.00 C ATOM 961 CG1 ILE A 56 -1.842 -1.081 2.801 1.00 0.00 C ATOM 962 CG2 ILE A 56 0.190 -2.539 2.705 1.00 0.00 C ATOM 963 CD1 ILE A 56 -2.790 -2.202 3.170 1.00 0.00 C ATOM 0 H ILE A 56 -1.585 0.366 0.661 1.00 0.00 H new ATOM 0 HA ILE A 56 0.609 0.160 2.396 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.050 -2.025 1.051 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.463 -0.621 3.714 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.394 -0.311 2.262 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.425 -3.388 3.002 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.002 -2.886 2.066 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.605 -2.063 3.593 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.604 -1.805 3.777 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -3.198 -2.647 2.262 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.252 -2.962 3.737 1.00 0.00 H new ATOM 975 N THR A 57 2.488 -1.073 1.273 1.00 0.00 N ATOM 976 CA THR A 57 3.670 -1.562 0.570 1.00 0.00 C ATOM 977 C THR A 57 3.538 -3.045 0.244 1.00 0.00 C ATOM 978 O THR A 57 2.674 -3.733 0.785 1.00 0.00 O ATOM 979 CB THR A 57 4.921 -1.329 1.422 1.00 0.00 C ATOM 980 OG1 THR A 57 4.660 -1.624 2.784 1.00 0.00 O ATOM 981 CG2 THR A 57 5.440 0.089 1.350 1.00 0.00 C ATOM 0 H THR A 57 2.622 -0.942 2.276 1.00 0.00 H new ATOM 0 HA THR A 57 3.760 -1.010 -0.366 1.00 0.00 H new ATOM 0 HB THR A 57 5.679 -1.995 1.011 1.00 0.00 H new ATOM 0 HG1 THR A 57 5.471 -1.471 3.313 1.00 0.00 H new ATOM 0 HG21 THR A 57 6.327 0.184 1.977 1.00 0.00 H new ATOM 0 HG22 THR A 57 5.697 0.331 0.319 1.00 0.00 H new ATOM 0 HG23 THR A 57 4.671 0.776 1.703 1.00 0.00 H new ATOM 989 N ASP A 58 4.399 -3.534 -0.644 1.00 0.00 N ATOM 990 CA ASP A 58 4.379 -4.939 -1.035 1.00 0.00 C ATOM 991 C ASP A 58 4.541 -5.843 0.180 1.00 0.00 C ATOM 992 O ASP A 58 4.059 -6.975 0.195 1.00 0.00 O ATOM 993 CB ASP A 58 5.493 -5.224 -2.044 1.00 0.00 C ATOM 994 CG ASP A 58 6.807 -4.577 -1.651 1.00 0.00 C ATOM 995 OD1 ASP A 58 7.406 -5.014 -0.646 1.00 0.00 O ATOM 996 OD2 ASP A 58 7.236 -3.634 -2.348 1.00 0.00 O ATOM 0 H ASP A 58 5.119 -2.978 -1.106 1.00 0.00 H new ATOM 0 HA ASP A 58 3.414 -5.148 -1.497 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.633 -6.301 -2.132 1.00 0.00 H new ATOM 0 HB3 ASP A 58 5.192 -4.861 -3.026 1.00 0.00 H new ATOM 1001 N GLU A 59 5.229 -5.336 1.197 1.00 0.00 N ATOM 1002 CA GLU A 59 5.459 -6.095 2.420 1.00 0.00 C ATOM 1003 C GLU A 59 4.168 -6.237 3.218 1.00 0.00 C ATOM 1004 O GLU A 59 3.750 -7.347 3.554 1.00 0.00 O ATOM 1005 CB GLU A 59 6.525 -5.394 3.265 1.00 0.00 C ATOM 1006 CG GLU A 59 6.671 -5.963 4.670 1.00 0.00 C ATOM 1007 CD GLU A 59 8.054 -6.528 4.928 1.00 0.00 C ATOM 1008 OE1 GLU A 59 8.450 -7.476 4.218 1.00 0.00 O ATOM 1009 OE2 GLU A 59 8.740 -6.021 5.841 1.00 0.00 O ATOM 0 H GLU A 59 5.637 -4.401 1.198 1.00 0.00 H new ATOM 0 HA GLU A 59 5.806 -7.093 2.153 1.00 0.00 H new ATOM 0 HB2 GLU A 59 7.485 -5.465 2.753 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.279 -4.334 3.336 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.460 -5.180 5.399 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.928 -6.747 4.820 1.00 0.00 H new ATOM 1016 N GLN A 60 3.523 -5.110 3.496 1.00 0.00 N ATOM 1017 CA GLN A 60 2.266 -5.125 4.227 1.00 0.00 C ATOM 1018 C GLN A 60 1.157 -5.667 3.334 1.00 0.00 C ATOM 1019 O GLN A 60 0.230 -6.324 3.805 1.00 0.00 O ATOM 1020 CB GLN A 60 1.919 -3.726 4.733 1.00 0.00 C ATOM 1021 CG GLN A 60 2.480 -3.424 6.114 1.00 0.00 C ATOM 1022 CD GLN A 60 1.404 -3.367 7.181 1.00 0.00 C ATOM 1023 OE1 GLN A 60 0.720 -2.355 7.336 1.00 0.00 O ATOM 1024 NE2 GLN A 60 1.250 -4.457 7.924 1.00 0.00 N ATOM 0 H GLN A 60 3.848 -4.181 3.228 1.00 0.00 H new ATOM 0 HA GLN A 60 2.370 -5.778 5.094 1.00 0.00 H new ATOM 0 HB2 GLN A 60 2.298 -2.988 4.026 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.835 -3.616 4.758 1.00 0.00 H new ATOM 0 HG2 GLN A 60 3.210 -4.188 6.380 1.00 0.00 H new ATOM 0 HG3 GLN A 60 3.010 -2.472 6.087 1.00 0.00 H new ATOM 0 HE21 GLN A 60 1.839 -5.273 7.760 1.00 0.00 H new ATOM 0 HE22 GLN A 60 0.542 -4.478 8.658 1.00 0.00 H new ATOM 1033 N LEU A 61 1.289 -5.422 2.032 1.00 0.00 N ATOM 1034 CA LEU A 61 0.337 -5.942 1.061 1.00 0.00 C ATOM 1035 C LEU A 61 0.397 -7.463 1.056 1.00 0.00 C ATOM 1036 O LEU A 61 -0.622 -8.141 0.922 1.00 0.00 O ATOM 1037 CB LEU A 61 0.641 -5.401 -0.341 1.00 0.00 C ATOM 1038 CG LEU A 61 -0.012 -4.058 -0.680 1.00 0.00 C ATOM 1039 CD1 LEU A 61 0.154 -3.743 -2.160 1.00 0.00 C ATOM 1040 CD2 LEU A 61 -1.486 -4.068 -0.299 1.00 0.00 C ATOM 0 H LEU A 61 2.045 -4.868 1.629 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.665 -5.617 1.343 1.00 0.00 H new ATOM 0 HB2 LEU A 61 1.721 -5.298 -0.446 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.318 -6.139 -1.075 1.00 0.00 H new ATOM 0 HG LEU A 61 0.486 -3.279 -0.103 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.316 -2.785 -2.383 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.215 -3.692 -2.404 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.318 -4.526 -2.754 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.933 -3.105 -0.548 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.998 -4.858 -0.848 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.584 -4.248 0.772 1.00 0.00 H new ATOM 1052 N LYS A 62 1.605 -7.988 1.235 1.00 0.00 N ATOM 1053 CA LYS A 62 1.818 -9.427 1.305 1.00 0.00 C ATOM 1054 C LYS A 62 1.032 -10.007 2.477 1.00 0.00 C ATOM 1055 O LYS A 62 0.262 -10.960 2.321 1.00 0.00 O ATOM 1056 CB LYS A 62 3.318 -9.718 1.453 1.00 0.00 C ATOM 1057 CG LYS A 62 3.648 -11.125 1.934 1.00 0.00 C ATOM 1058 CD LYS A 62 3.490 -12.147 0.824 1.00 0.00 C ATOM 1059 CE LYS A 62 4.530 -13.245 0.944 1.00 0.00 C ATOM 1060 NZ LYS A 62 4.304 -14.338 -0.040 1.00 0.00 N ATOM 0 H LYS A 62 2.455 -7.433 1.335 1.00 0.00 H new ATOM 0 HA LYS A 62 1.463 -9.897 0.388 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.803 -9.554 0.491 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.747 -9.000 2.152 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.671 -11.151 2.310 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.995 -11.388 2.767 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.491 -12.581 0.864 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.585 -11.655 -0.144 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.523 -12.822 0.793 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.508 -13.656 1.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.037 -15.067 0.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.367 -14.760 0.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.350 -13.952 -1.005 1.00 0.00 H new ATOM 1074 N GLU A 63 1.220 -9.416 3.652 1.00 0.00 N ATOM 1075 CA GLU A 63 0.482 -9.839 4.826 1.00 0.00 C ATOM 1076 C GLU A 63 -1.006 -9.709 4.547 1.00 0.00 C ATOM 1077 O GLU A 63 -1.813 -10.514 5.009 1.00 0.00 O ATOM 1078 CB GLU A 63 0.868 -9.003 6.041 1.00 0.00 C ATOM 1079 CG GLU A 63 2.338 -8.616 6.079 1.00 0.00 C ATOM 1080 CD GLU A 63 2.797 -8.205 7.464 1.00 0.00 C ATOM 1081 OE1 GLU A 63 2.785 -9.063 8.373 1.00 0.00 O ATOM 1082 OE2 GLU A 63 3.167 -7.026 7.641 1.00 0.00 O ATOM 0 H GLU A 63 1.873 -8.649 3.812 1.00 0.00 H new ATOM 0 HA GLU A 63 0.726 -10.878 5.047 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.263 -8.096 6.053 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.625 -9.560 6.946 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.940 -9.457 5.735 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.512 -7.794 5.384 1.00 0.00 H new ATOM 1089 N LEU A 64 -1.348 -8.693 3.758 1.00 0.00 N ATOM 1090 CA LEU A 64 -2.730 -8.445 3.372 1.00 0.00 C ATOM 1091 C LEU A 64 -3.273 -9.600 2.533 1.00 0.00 C ATOM 1092 O LEU A 64 -4.439 -9.975 2.662 1.00 0.00 O ATOM 1093 CB LEU A 64 -2.839 -7.131 2.600 1.00 0.00 C ATOM 1094 CG LEU A 64 -3.387 -5.954 3.414 1.00 0.00 C ATOM 1095 CD1 LEU A 64 -4.887 -6.103 3.622 1.00 0.00 C ATOM 1096 CD2 LEU A 64 -2.673 -5.847 4.753 1.00 0.00 C ATOM 0 H LEU A 64 -0.680 -8.025 3.373 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.330 -8.369 4.279 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.852 -6.865 2.221 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.482 -7.287 1.734 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.204 -5.037 2.854 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.260 -5.259 4.202 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.388 -6.128 2.654 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.090 -7.030 4.159 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.077 -5.005 5.315 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.822 -6.766 5.319 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.607 -5.693 4.586 1.00 0.00 H new ATOM 1108 N LEU A 65 -2.420 -10.175 1.684 1.00 0.00 N ATOM 1109 CA LEU A 65 -2.825 -11.303 0.852 1.00 0.00 C ATOM 1110 C LEU A 65 -3.283 -12.459 1.725 1.00 0.00 C ATOM 1111 O LEU A 65 -4.375 -12.998 1.545 1.00 0.00 O ATOM 1112 CB LEU A 65 -1.668 -11.772 -0.030 1.00 0.00 C ATOM 1113 CG LEU A 65 -1.598 -11.127 -1.405 1.00 0.00 C ATOM 1114 CD1 LEU A 65 -1.323 -9.648 -1.255 1.00 0.00 C ATOM 1115 CD2 LEU A 65 -0.521 -11.793 -2.247 1.00 0.00 C ATOM 0 H LEU A 65 -1.452 -9.879 1.557 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.646 -10.973 0.216 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.732 -11.577 0.493 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.744 -12.852 -0.157 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.553 -11.258 -1.914 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.273 -9.185 -2.241 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.124 -9.186 -0.678 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.374 -9.505 -0.738 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.483 -11.321 -3.229 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.445 -11.685 -1.754 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.752 -12.852 -2.363 1.00 0.00 H new ATOM 1127 N LYS A 66 -2.441 -12.827 2.683 1.00 0.00 N ATOM 1128 CA LYS A 66 -2.776 -13.891 3.620 1.00 0.00 C ATOM 1129 C LYS A 66 -3.945 -13.454 4.493 1.00 0.00 C ATOM 1130 O LYS A 66 -4.780 -14.263 4.898 1.00 0.00 O ATOM 1131 CB LYS A 66 -1.563 -14.229 4.484 1.00 0.00 C ATOM 1132 CG LYS A 66 -1.466 -15.700 4.850 1.00 0.00 C ATOM 1133 CD LYS A 66 -0.478 -16.429 3.954 1.00 0.00 C ATOM 1134 CE LYS A 66 0.958 -16.145 4.363 1.00 0.00 C ATOM 1135 NZ LYS A 66 1.934 -16.900 3.529 1.00 0.00 N ATOM 0 H LYS A 66 -1.524 -12.406 2.831 1.00 0.00 H new ATOM 0 HA LYS A 66 -3.064 -14.783 3.064 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -0.657 -13.935 3.954 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -1.603 -13.638 5.399 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.157 -15.798 5.891 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.449 -16.164 4.764 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -0.666 -17.502 4.001 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.630 -16.124 2.919 1.00 0.00 H new ATOM 0 HE2 LYS A 66 1.156 -15.077 4.275 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.096 -16.409 5.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 2.901 -16.678 3.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.762 -17.921 3.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 1.821 -16.629 2.531 1.00 0.00 H new ATOM 1149 N ARG A 67 -4.001 -12.154 4.745 1.00 0.00 N ATOM 1150 CA ARG A 67 -5.065 -11.551 5.531 1.00 0.00 C ATOM 1151 C ARG A 67 -6.433 -11.872 4.941 1.00 0.00 C ATOM 1152 O ARG A 67 -7.341 -12.314 5.644 1.00 0.00 O ATOM 1153 CB ARG A 67 -4.859 -10.048 5.545 1.00 0.00 C ATOM 1154 CG ARG A 67 -5.006 -9.391 6.901 1.00 0.00 C ATOM 1155 CD ARG A 67 -4.234 -8.081 6.944 1.00 0.00 C ATOM 1156 NE ARG A 67 -4.491 -7.332 8.170 1.00 0.00 N ATOM 1157 CZ ARG A 67 -3.681 -6.390 8.642 1.00 0.00 C ATOM 1158 NH1 ARG A 67 -2.566 -6.084 7.992 1.00 0.00 N ATOM 1159 NH2 ARG A 67 -3.984 -5.754 9.766 1.00 0.00 N ATOM 0 H ARG A 67 -3.307 -11.487 4.408 1.00 0.00 H new ATOM 0 HA ARG A 67 -5.032 -11.954 6.543 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -3.863 -9.830 5.159 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -5.573 -9.593 4.859 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -6.060 -9.206 7.110 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -4.640 -10.062 7.678 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -3.167 -8.287 6.863 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -4.508 -7.471 6.083 1.00 0.00 H new ATOM 0 HE ARG A 67 -5.340 -7.543 8.694 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -2.329 -6.572 7.128 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -1.946 -5.361 8.356 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -4.840 -5.988 10.269 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -3.361 -5.031 10.127 1.00 0.00 H new ATOM 1173 N VAL A 68 -6.571 -11.622 3.642 1.00 0.00 N ATOM 1174 CA VAL A 68 -7.827 -11.855 2.942 1.00 0.00 C ATOM 1175 C VAL A 68 -8.033 -13.341 2.651 1.00 0.00 C ATOM 1176 O VAL A 68 -9.104 -13.892 2.906 1.00 0.00 O ATOM 1177 CB VAL A 68 -7.891 -11.041 1.623 1.00 0.00 C ATOM 1178 CG1 VAL A 68 -7.076 -11.700 0.515 1.00 0.00 C ATOM 1179 CG2 VAL A 68 -9.335 -10.843 1.190 1.00 0.00 C ATOM 0 H VAL A 68 -5.824 -11.256 3.052 1.00 0.00 H new ATOM 0 HA VAL A 68 -8.630 -11.518 3.598 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.448 -10.063 1.813 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.145 -11.101 -0.393 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.033 -11.772 0.824 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.466 -12.699 0.321 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.362 -10.270 0.263 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.803 -11.814 1.030 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.877 -10.303 1.966 1.00 0.00 H new ATOM 1189 N ALA A 69 -7.002 -13.977 2.103 1.00 0.00 N ATOM 1190 CA ALA A 69 -7.074 -15.390 1.757 1.00 0.00 C ATOM 1191 C ALA A 69 -7.024 -16.265 3.005 1.00 0.00 C ATOM 1192 O ALA A 69 -6.232 -16.022 3.915 1.00 0.00 O ATOM 1193 CB ALA A 69 -5.948 -15.759 0.800 1.00 0.00 C ATOM 0 H ALA A 69 -6.108 -13.535 1.890 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.028 -15.569 1.261 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -6.015 -16.818 0.551 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -6.035 -15.166 -0.110 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.987 -15.558 1.274 1.00 0.00 H new