USER MOD reduce.3.24.130724 H: found=0, std=0, add=430, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 384 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 3 THR OG1 : rot -133:sc= 1.26 USER MOD Set 1.2: A 82 SER OG : rot -56:sc= 0.833 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 54:sc= 0.439 USER MOD Single : A 32 SER OG : rot 65:sc= 1.26 USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -1.03 K(o=-1,f=-3.7!) USER MOD Single : A 55 ASN : amide:sc= -4.71! C(o=-4.7!,f=-9.5!) USER MOD Single : A 58 ASN : amide:sc= -0.528 K(o=-0.53,f=-3.8!) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 MET CE :methyl -114:sc= -6.55! (180deg=-12.7!) USER MOD Single : A 63 SER OG : rot -60:sc= 1.06 USER MOD Single : A 64 ASN : amide:sc= 0.0251 X(o=0.025,f=-0.31) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.024 X(o=-0.024,f=-0.23) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.0988 USER MOD ----------------------------------------------------------------- ATOM 15 N VAL A 2 6.399 -5.472 -2.578 1.00 0.00 N ATOM 16 CA VAL A 2 5.842 -5.975 -3.822 1.00 0.00 C ATOM 17 C VAL A 2 5.624 -4.808 -4.787 1.00 0.00 C ATOM 18 O VAL A 2 4.895 -3.868 -4.476 1.00 0.00 O ATOM 19 CB VAL A 2 4.563 -6.766 -3.542 1.00 0.00 C ATOM 20 CG1 VAL A 2 4.049 -7.447 -4.813 1.00 0.00 C ATOM 21 CG2 VAL A 2 4.783 -7.788 -2.424 1.00 0.00 C ATOM 0 HA VAL A 2 6.537 -6.666 -4.299 1.00 0.00 H new ATOM 0 HB VAL A 2 3.801 -6.062 -3.207 1.00 0.00 H new ATOM 0 HG11 VAL A 2 3.139 -8.002 -4.586 1.00 0.00 H new ATOM 0 HG12 VAL A 2 3.834 -6.692 -5.569 1.00 0.00 H new ATOM 0 HG13 VAL A 2 4.808 -8.132 -5.191 1.00 0.00 H new ATOM 0 HG21 VAL A 2 3.858 -8.336 -2.245 1.00 0.00 H new ATOM 0 HG22 VAL A 2 5.567 -8.485 -2.718 1.00 0.00 H new ATOM 0 HG23 VAL A 2 5.080 -7.271 -1.512 1.00 0.00 H new ATOM 31 N THR A 3 6.271 -4.906 -5.940 1.00 0.00 N ATOM 32 CA THR A 3 6.156 -3.871 -6.952 1.00 0.00 C ATOM 33 C THR A 3 5.820 -4.487 -8.312 1.00 0.00 C ATOM 34 O THR A 3 6.681 -5.081 -8.959 1.00 0.00 O ATOM 35 CB THR A 3 7.458 -3.067 -6.956 1.00 0.00 C ATOM 36 OG1 THR A 3 7.239 -2.047 -5.985 1.00 0.00 O ATOM 37 CG2 THR A 3 7.668 -2.299 -8.262 1.00 0.00 C ATOM 0 H THR A 3 6.876 -5.686 -6.195 1.00 0.00 H new ATOM 0 HA THR A 3 5.335 -3.190 -6.727 1.00 0.00 H new ATOM 0 HB THR A 3 8.300 -3.739 -6.791 1.00 0.00 H new ATOM 0 HG1 THR A 3 7.514 -1.181 -6.352 1.00 0.00 H new ATOM 0 HG21 THR A 3 8.606 -1.746 -8.212 1.00 0.00 H new ATOM 0 HG22 THR A 3 7.705 -3.001 -9.095 1.00 0.00 H new ATOM 0 HG23 THR A 3 6.843 -1.602 -8.411 1.00 0.00 H new ATOM 201 N ILE A 14 -8.341 0.438 -3.025 1.00 0.00 N ATOM 202 CA ILE A 14 -7.509 0.213 -1.855 1.00 0.00 C ATOM 203 C ILE A 14 -7.758 1.326 -0.835 1.00 0.00 C ATOM 204 O ILE A 14 -8.531 2.248 -1.093 1.00 0.00 O ATOM 205 CB ILE A 14 -6.041 0.069 -2.261 1.00 0.00 C ATOM 206 CG1 ILE A 14 -5.636 1.161 -3.253 1.00 0.00 C ATOM 207 CG2 ILE A 14 -5.757 -1.333 -2.804 1.00 0.00 C ATOM 208 CD1 ILE A 14 -4.742 2.206 -2.583 1.00 0.00 C ATOM 0 HA ILE A 14 -7.777 -0.727 -1.373 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.426 0.200 -1.370 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.110 0.714 -4.096 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -6.528 1.643 -3.653 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.707 -1.408 -3.085 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -5.981 -2.073 -2.036 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.381 -1.518 -3.679 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -4.468 2.971 -3.310 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -5.280 2.668 -1.755 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.840 1.725 -2.206 1.00 0.00 H new ATOM 219 N SER A 15 -7.090 1.204 0.302 1.00 0.00 N ATOM 220 CA SER A 15 -7.229 2.188 1.363 1.00 0.00 C ATOM 221 C SER A 15 -6.205 1.917 2.466 1.00 0.00 C ATOM 222 O SER A 15 -5.682 0.809 2.574 1.00 0.00 O ATOM 223 CB SER A 15 -8.646 2.179 1.939 1.00 0.00 C ATOM 224 OG SER A 15 -9.325 3.410 1.706 1.00 0.00 O ATOM 0 H SER A 15 -6.450 0.438 0.512 1.00 0.00 H new ATOM 0 HA SER A 15 -7.044 3.176 0.940 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.213 1.362 1.493 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.600 1.987 3.011 1.00 0.00 H new ATOM 0 HG SER A 15 -10.227 3.364 2.087 1.00 0.00 H new ATOM 229 N ILE A 16 -5.949 2.948 3.258 1.00 0.00 N ATOM 230 CA ILE A 16 -4.997 2.835 4.349 1.00 0.00 C ATOM 231 C ILE A 16 -5.742 2.931 5.681 1.00 0.00 C ATOM 232 O ILE A 16 -6.942 3.196 5.709 1.00 0.00 O ATOM 233 CB ILE A 16 -3.879 3.869 4.194 1.00 0.00 C ATOM 234 CG1 ILE A 16 -4.444 5.291 4.190 1.00 0.00 C ATOM 235 CG2 ILE A 16 -3.036 3.583 2.950 1.00 0.00 C ATOM 236 CD1 ILE A 16 -3.952 6.081 5.404 1.00 0.00 C ATOM 0 H ILE A 16 -6.385 3.866 3.165 1.00 0.00 H new ATOM 0 HA ILE A 16 -4.506 1.862 4.327 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.217 3.788 5.056 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.146 5.802 3.274 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.533 5.253 4.194 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.249 4.332 2.864 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.587 2.593 3.034 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.670 3.619 2.064 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.369 7.088 5.376 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -4.273 5.581 6.318 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.864 6.138 5.384 1.00 0.00 H new ATOM 247 N VAL A 17 -4.998 2.708 6.756 1.00 0.00 N ATOM 248 CA VAL A 17 -5.573 2.766 8.089 1.00 0.00 C ATOM 249 C VAL A 17 -4.454 2.956 9.114 1.00 0.00 C ATOM 250 O VAL A 17 -3.276 2.837 8.784 1.00 0.00 O ATOM 251 CB VAL A 17 -6.416 1.515 8.349 1.00 0.00 C ATOM 252 CG1 VAL A 17 -5.579 0.245 8.183 1.00 0.00 C ATOM 253 CG2 VAL A 17 -7.061 1.568 9.736 1.00 0.00 C ATOM 0 H VAL A 17 -4.003 2.487 6.730 1.00 0.00 H new ATOM 0 HA VAL A 17 -6.245 3.620 8.179 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.215 1.489 7.608 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.202 -0.629 8.373 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.188 0.197 7.167 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.750 0.261 8.891 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.654 0.668 9.896 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.283 1.630 10.497 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.706 2.444 9.804 1.00 0.00 H new ATOM 263 N GLY A 18 -4.863 3.253 10.340 1.00 0.00 N ATOM 264 CA GLY A 18 -3.909 3.461 11.417 1.00 0.00 C ATOM 265 C GLY A 18 -4.396 2.812 12.714 1.00 0.00 C ATOM 266 O GLY A 18 -5.313 1.993 12.696 1.00 0.00 O ATOM 0 H GLY A 18 -5.841 3.354 10.611 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -2.942 3.042 11.137 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.760 4.529 11.574 1.00 0.00 H new ATOM 366 N GLY A 27 2.787 3.649 11.831 1.00 0.00 N ATOM 367 CA GLY A 27 3.011 3.033 10.535 1.00 0.00 C ATOM 368 C GLY A 27 1.686 2.631 9.883 1.00 0.00 C ATOM 369 O GLY A 27 1.277 1.475 9.963 1.00 0.00 O ATOM 0 HA2 GLY A 27 3.544 3.727 9.886 1.00 0.00 H new ATOM 0 HA3 GLY A 27 3.645 2.154 10.651 1.00 0.00 H new ATOM 373 N ILE A 28 1.053 3.610 9.253 1.00 0.00 N ATOM 374 CA ILE A 28 -0.217 3.374 8.588 1.00 0.00 C ATOM 375 C ILE A 28 -0.067 2.202 7.615 1.00 0.00 C ATOM 376 O ILE A 28 0.929 2.107 6.901 1.00 0.00 O ATOM 377 CB ILE A 28 -0.724 4.658 7.930 1.00 0.00 C ATOM 378 CG1 ILE A 28 -0.869 5.781 8.959 1.00 0.00 C ATOM 379 CG2 ILE A 28 -2.028 4.407 7.169 1.00 0.00 C ATOM 380 CD1 ILE A 28 -1.758 5.345 10.126 1.00 0.00 C ATOM 0 H ILE A 28 1.396 4.568 9.189 1.00 0.00 H new ATOM 0 HA ILE A 28 -0.981 3.092 9.313 1.00 0.00 H new ATOM 0 HB ILE A 28 0.017 4.983 7.200 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.115 6.065 9.333 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.296 6.663 8.482 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.367 5.336 6.711 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.859 3.661 6.393 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.789 4.045 7.860 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.844 6.162 10.843 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.748 5.085 9.752 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.316 4.478 10.616 1.00 0.00 H new ATOM 391 N TYR A 29 -1.073 1.341 7.617 1.00 0.00 N ATOM 392 CA TYR A 29 -1.066 0.180 6.744 1.00 0.00 C ATOM 393 C TYR A 29 -2.352 0.107 5.917 1.00 0.00 C ATOM 394 O TYR A 29 -3.368 0.694 6.289 1.00 0.00 O ATOM 395 CB TYR A 29 -0.997 -1.041 7.665 1.00 0.00 C ATOM 396 CG TYR A 29 -1.983 -0.994 8.835 1.00 0.00 C ATOM 397 CD1 TYR A 29 -1.694 -0.233 9.950 1.00 0.00 C ATOM 398 CD2 TYR A 29 -3.160 -1.712 8.775 1.00 0.00 C ATOM 399 CE1 TYR A 29 -2.620 -0.189 11.051 1.00 0.00 C ATOM 400 CE2 TYR A 29 -4.086 -1.668 9.877 1.00 0.00 C ATOM 401 CZ TYR A 29 -3.771 -0.909 10.960 1.00 0.00 C ATOM 402 OH TYR A 29 -4.646 -0.867 12.000 1.00 0.00 O ATOM 0 H TYR A 29 -1.899 1.424 8.210 1.00 0.00 H new ATOM 0 HA TYR A 29 -0.227 0.228 6.050 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -1.189 -1.938 7.077 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.015 -1.129 8.059 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -0.773 0.329 9.996 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.386 -2.306 7.902 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -2.406 0.402 11.929 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -5.010 -2.226 9.844 1.00 0.00 H new ATOM 0 HH TYR A 29 -4.865 0.066 12.206 1.00 0.00 H new ATOM 411 N ILE A 30 -2.267 -0.617 4.811 1.00 0.00 N ATOM 412 CA ILE A 30 -3.411 -0.773 3.929 1.00 0.00 C ATOM 413 C ILE A 30 -4.601 -1.301 4.732 1.00 0.00 C ATOM 414 O ILE A 30 -4.491 -2.319 5.415 1.00 0.00 O ATOM 415 CB ILE A 30 -3.045 -1.645 2.726 1.00 0.00 C ATOM 416 CG1 ILE A 30 -3.922 -1.308 1.518 1.00 0.00 C ATOM 417 CG2 ILE A 30 -3.111 -3.131 3.086 1.00 0.00 C ATOM 418 CD1 ILE A 30 -3.476 0.001 0.866 1.00 0.00 C ATOM 0 H ILE A 30 -1.423 -1.102 4.505 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.708 0.191 3.516 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.014 -1.427 2.446 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.871 -2.117 0.790 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -4.963 -1.226 1.831 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.847 -3.729 2.214 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.412 -3.341 3.895 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.122 -3.383 3.406 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.115 0.218 0.010 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.552 0.812 1.590 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.443 -0.092 0.532 1.00 0.00 H new ATOM 429 N GLY A 31 -5.711 -0.586 4.626 1.00 0.00 N ATOM 430 CA GLY A 31 -6.920 -0.970 5.334 1.00 0.00 C ATOM 431 C GLY A 31 -7.436 -2.325 4.843 1.00 0.00 C ATOM 432 O GLY A 31 -7.822 -3.174 5.645 1.00 0.00 O ATOM 0 H GLY A 31 -5.799 0.258 4.060 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.719 -1.019 6.404 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.688 -0.210 5.189 1.00 0.00 H new ATOM 436 N SER A 32 -7.425 -2.485 3.528 1.00 0.00 N ATOM 437 CA SER A 32 -7.887 -3.722 2.921 1.00 0.00 C ATOM 438 C SER A 32 -7.769 -3.634 1.399 1.00 0.00 C ATOM 439 O SER A 32 -7.746 -2.540 0.836 1.00 0.00 O ATOM 440 CB SER A 32 -9.330 -4.028 3.325 1.00 0.00 C ATOM 441 OG SER A 32 -9.398 -4.810 4.515 1.00 0.00 O ATOM 0 H SER A 32 -7.104 -1.779 2.866 1.00 0.00 H new ATOM 0 HA SER A 32 -7.257 -4.536 3.281 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.870 -3.093 3.474 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.829 -4.558 2.514 1.00 0.00 H new ATOM 0 HG SER A 32 -9.045 -4.291 5.268 1.00 0.00 H new ATOM 446 N ILE A 33 -7.698 -4.799 0.774 1.00 0.00 N ATOM 447 CA ILE A 33 -7.583 -4.868 -0.673 1.00 0.00 C ATOM 448 C ILE A 33 -8.703 -5.749 -1.228 1.00 0.00 C ATOM 449 O ILE A 33 -8.904 -6.871 -0.764 1.00 0.00 O ATOM 450 CB ILE A 33 -6.182 -5.327 -1.078 1.00 0.00 C ATOM 451 CG1 ILE A 33 -5.113 -4.383 -0.521 1.00 0.00 C ATOM 452 CG2 ILE A 33 -6.073 -5.483 -2.597 1.00 0.00 C ATOM 453 CD1 ILE A 33 -4.813 -4.700 0.945 1.00 0.00 C ATOM 0 H ILE A 33 -7.718 -5.704 1.243 1.00 0.00 H new ATOM 0 HA ILE A 33 -7.708 -3.878 -1.112 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.005 -6.309 -0.640 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.201 -4.473 -1.110 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -5.451 -3.351 -0.612 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -5.067 -5.810 -2.858 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -6.796 -6.224 -2.939 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -6.279 -4.526 -3.077 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.051 -4.015 1.317 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.722 -4.586 1.535 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.452 -5.725 1.029 1.00 0.00 H new ATOM 464 N MET A 34 -9.404 -5.210 -2.215 1.00 0.00 N ATOM 465 CA MET A 34 -10.499 -5.933 -2.838 1.00 0.00 C ATOM 466 C MET A 34 -10.052 -7.328 -3.282 1.00 0.00 C ATOM 467 O MET A 34 -9.607 -7.511 -4.414 1.00 0.00 O ATOM 468 CB MET A 34 -11.005 -5.150 -4.051 1.00 0.00 C ATOM 469 CG MET A 34 -11.814 -3.926 -3.615 1.00 0.00 C ATOM 470 SD MET A 34 -13.164 -3.651 -4.749 1.00 0.00 S ATOM 471 CE MET A 34 -14.501 -3.422 -3.591 1.00 0.00 C ATOM 0 H MET A 34 -9.234 -4.280 -2.599 1.00 0.00 H new ATOM 0 HA MET A 34 -11.299 -6.043 -2.106 1.00 0.00 H new ATOM 0 HB2 MET A 34 -10.160 -4.833 -4.662 1.00 0.00 H new ATOM 0 HB3 MET A 34 -11.624 -5.796 -4.673 1.00 0.00 H new ATOM 0 HG2 MET A 34 -12.200 -4.075 -2.607 1.00 0.00 H new ATOM 0 HG3 MET A 34 -11.170 -3.047 -3.583 1.00 0.00 H new ATOM 0 HE1 MET A 34 -15.427 -3.238 -4.136 1.00 0.00 H new ATOM 0 HE2 MET A 34 -14.611 -4.318 -2.981 1.00 0.00 H new ATOM 0 HE3 MET A 34 -14.283 -2.570 -2.948 1.00 0.00 H new ATOM 595 N ILE A 45 -3.313 -10.015 -0.948 1.00 0.00 N ATOM 596 CA ILE A 45 -2.692 -8.976 -0.144 1.00 0.00 C ATOM 597 C ILE A 45 -3.365 -8.930 1.229 1.00 0.00 C ATOM 598 O ILE A 45 -4.453 -9.474 1.410 1.00 0.00 O ATOM 599 CB ILE A 45 -2.715 -7.639 -0.887 1.00 0.00 C ATOM 600 CG1 ILE A 45 -1.754 -7.656 -2.077 1.00 0.00 C ATOM 601 CG2 ILE A 45 -2.427 -6.477 0.067 1.00 0.00 C ATOM 602 CD1 ILE A 45 -0.356 -8.105 -1.646 1.00 0.00 C ATOM 0 HA ILE A 45 -1.639 -9.202 0.025 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.718 -7.487 -1.286 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.134 -8.328 -2.847 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.700 -6.661 -2.520 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -2.449 -5.538 -0.486 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.184 -6.454 0.851 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.443 -6.610 0.516 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.308 -8.108 -2.511 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.031 -7.418 -0.894 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.410 -9.109 -1.226 1.00 0.00 H new ATOM 613 N GLU A 46 -2.689 -8.275 2.161 1.00 0.00 N ATOM 614 CA GLU A 46 -3.208 -8.149 3.513 1.00 0.00 C ATOM 615 C GLU A 46 -3.228 -6.680 3.940 1.00 0.00 C ATOM 616 O GLU A 46 -2.558 -5.845 3.335 1.00 0.00 O ATOM 617 CB GLU A 46 -2.393 -8.994 4.494 1.00 0.00 C ATOM 618 CG GLU A 46 -2.692 -10.484 4.314 1.00 0.00 C ATOM 619 CD GLU A 46 -2.966 -11.155 5.661 1.00 0.00 C ATOM 620 OE1 GLU A 46 -2.191 -10.974 6.613 1.00 0.00 O ATOM 621 OE2 GLU A 46 -4.027 -11.886 5.700 1.00 0.00 O ATOM 0 H GLU A 46 -1.786 -7.826 2.007 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.231 -8.524 3.524 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.329 -8.812 4.340 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.623 -8.694 5.516 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.555 -10.609 3.659 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.848 -10.971 3.826 1.00 0.00 H new ATOM 627 N PRO A 47 -4.024 -6.403 5.008 1.00 0.00 N ATOM 628 CA PRO A 47 -4.139 -5.049 5.523 1.00 0.00 C ATOM 629 C PRO A 47 -2.888 -4.652 6.308 1.00 0.00 C ATOM 630 O PRO A 47 -2.441 -3.508 6.235 1.00 0.00 O ATOM 631 CB PRO A 47 -5.398 -5.058 6.375 1.00 0.00 C ATOM 632 CG PRO A 47 -5.682 -6.519 6.683 1.00 0.00 C ATOM 633 CD PRO A 47 -4.831 -7.365 5.749 1.00 0.00 C ATOM 0 HA PRO A 47 -4.215 -4.303 4.732 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -5.253 -4.487 7.292 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.233 -4.601 5.843 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.446 -6.743 7.723 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -6.740 -6.741 6.542 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -4.204 -8.061 6.306 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -5.451 -7.961 5.079 1.00 0.00 H new ATOM 638 N GLY A 48 -2.357 -5.620 7.041 1.00 0.00 N ATOM 639 CA GLY A 48 -1.166 -5.385 7.840 1.00 0.00 C ATOM 640 C GLY A 48 0.100 -5.581 7.005 1.00 0.00 C ATOM 641 O GLY A 48 1.173 -5.843 7.548 1.00 0.00 O ATOM 0 H GLY A 48 -2.729 -6.568 7.098 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.188 -4.372 8.243 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.154 -6.066 8.691 1.00 0.00 H new ATOM 645 N ASP A 49 -0.065 -5.445 5.698 1.00 0.00 N ATOM 646 CA ASP A 49 1.053 -5.603 4.782 1.00 0.00 C ATOM 647 C ASP A 49 2.069 -4.484 5.027 1.00 0.00 C ATOM 648 O ASP A 49 3.266 -4.673 4.819 1.00 0.00 O ATOM 649 CB ASP A 49 0.589 -5.511 3.327 1.00 0.00 C ATOM 650 CG ASP A 49 0.900 -6.739 2.471 1.00 0.00 C ATOM 651 OD1 ASP A 49 1.636 -6.656 1.476 1.00 0.00 O ATOM 652 OD2 ASP A 49 0.343 -7.835 2.865 1.00 0.00 O ATOM 0 H ASP A 49 -0.955 -5.227 5.251 1.00 0.00 H new ATOM 0 HA ASP A 49 1.498 -6.582 4.957 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.488 -5.341 3.315 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.054 -4.639 2.867 1.00 0.00 H new ATOM 657 N MET A 50 1.552 -3.345 5.464 1.00 0.00 N ATOM 658 CA MET A 50 2.400 -2.197 5.738 1.00 0.00 C ATOM 659 C MET A 50 2.690 -1.411 4.458 1.00 0.00 C ATOM 660 O MET A 50 3.840 -1.077 4.178 1.00 0.00 O ATOM 661 CB MET A 50 3.716 -2.670 6.357 1.00 0.00 C ATOM 662 CG MET A 50 4.165 -1.731 7.479 1.00 0.00 C ATOM 663 SD MET A 50 3.984 -2.539 9.060 1.00 0.00 S ATOM 664 CE MET A 50 5.392 -1.856 9.920 1.00 0.00 C ATOM 0 H MET A 50 0.558 -3.193 5.635 1.00 0.00 H new ATOM 0 HA MET A 50 1.877 -1.541 6.434 1.00 0.00 H new ATOM 0 HB2 MET A 50 3.595 -3.679 6.750 1.00 0.00 H new ATOM 0 HB3 MET A 50 4.487 -2.718 5.588 1.00 0.00 H new ATOM 0 HG2 MET A 50 5.204 -1.440 7.327 1.00 0.00 H new ATOM 0 HG3 MET A 50 3.572 -0.817 7.459 1.00 0.00 H new ATOM 0 HE1 MET A 50 5.430 -2.258 10.932 1.00 0.00 H new ATOM 0 HE2 MET A 50 6.306 -2.121 9.389 1.00 0.00 H new ATOM 0 HE3 MET A 50 5.300 -0.771 9.964 1.00 0.00 H new ATOM 672 N LEU A 51 1.627 -1.139 3.716 1.00 0.00 N ATOM 673 CA LEU A 51 1.753 -0.398 2.472 1.00 0.00 C ATOM 674 C LEU A 51 1.732 1.102 2.772 1.00 0.00 C ATOM 675 O LEU A 51 0.697 1.752 2.633 1.00 0.00 O ATOM 676 CB LEU A 51 0.681 -0.840 1.474 1.00 0.00 C ATOM 677 CG LEU A 51 0.655 -0.090 0.141 1.00 0.00 C ATOM 678 CD1 LEU A 51 -0.286 1.115 0.209 1.00 0.00 C ATOM 679 CD2 LEU A 51 2.067 0.310 -0.292 1.00 0.00 C ATOM 0 H LEU A 51 0.675 -1.418 3.952 1.00 0.00 H new ATOM 0 HA LEU A 51 2.709 -0.615 1.995 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.820 -1.901 1.268 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.295 -0.732 1.948 1.00 0.00 H new ATOM 0 HG LEU A 51 0.263 -0.763 -0.622 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.286 1.631 -0.751 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.296 0.775 0.439 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.053 1.798 0.988 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.019 0.842 -1.242 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.510 0.958 0.464 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.679 -0.584 -0.407 1.00 0.00 H new ATOM 690 N LEU A 52 2.887 1.608 3.179 1.00 0.00 N ATOM 691 CA LEU A 52 3.015 3.019 3.499 1.00 0.00 C ATOM 692 C LEU A 52 4.081 3.649 2.600 1.00 0.00 C ATOM 693 O LEU A 52 4.456 4.804 2.792 1.00 0.00 O ATOM 694 CB LEU A 52 3.282 3.207 4.994 1.00 0.00 C ATOM 695 CG LEU A 52 4.737 3.043 5.440 1.00 0.00 C ATOM 696 CD1 LEU A 52 5.344 1.758 4.874 1.00 0.00 C ATOM 697 CD2 LEU A 52 5.565 4.277 5.075 1.00 0.00 C ATOM 0 H LEU A 52 3.743 1.065 3.294 1.00 0.00 H new ATOM 0 HA LEU A 52 2.080 3.541 3.297 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.945 4.203 5.281 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.671 2.492 5.545 1.00 0.00 H new ATOM 0 HG LEU A 52 4.752 2.954 6.526 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.378 1.667 5.207 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.772 0.900 5.227 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.315 1.791 3.785 1.00 0.00 H new ATOM 0 HD21 LEU A 52 6.595 4.134 5.403 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.545 4.422 3.995 1.00 0.00 H new ATOM 0 HD23 LEU A 52 5.146 5.155 5.567 1.00 0.00 H new ATOM 708 N GLN A 53 4.537 2.861 1.638 1.00 0.00 N ATOM 709 CA GLN A 53 5.552 3.326 0.708 1.00 0.00 C ATOM 710 C GLN A 53 5.198 2.904 -0.719 1.00 0.00 C ATOM 711 O GLN A 53 4.581 1.861 -0.927 1.00 0.00 O ATOM 712 CB GLN A 53 6.937 2.811 1.105 1.00 0.00 C ATOM 713 CG GLN A 53 6.866 1.357 1.575 1.00 0.00 C ATOM 714 CD GLN A 53 7.948 1.065 2.618 1.00 0.00 C ATOM 715 OE1 GLN A 53 7.726 0.388 3.608 1.00 0.00 O ATOM 716 NE2 GLN A 53 9.128 1.612 2.341 1.00 0.00 N ATOM 0 H GLN A 53 4.222 1.903 1.482 1.00 0.00 H new ATOM 0 HA GLN A 53 5.581 4.415 0.747 1.00 0.00 H new ATOM 0 HB2 GLN A 53 7.616 2.890 0.256 1.00 0.00 H new ATOM 0 HB3 GLN A 53 7.347 3.434 1.900 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.883 1.156 2.000 1.00 0.00 H new ATOM 0 HG3 GLN A 53 6.988 0.689 0.722 1.00 0.00 H new ATOM 0 HE21 GLN A 53 9.246 2.168 1.494 1.00 0.00 H new ATOM 0 HE22 GLN A 53 9.915 1.475 2.975 1.00 0.00 H new ATOM 723 N VAL A 54 5.605 3.737 -1.667 1.00 0.00 N ATOM 724 CA VAL A 54 5.338 3.463 -3.069 1.00 0.00 C ATOM 725 C VAL A 54 6.562 3.852 -3.901 1.00 0.00 C ATOM 726 O VAL A 54 7.312 4.751 -3.527 1.00 0.00 O ATOM 727 CB VAL A 54 4.062 4.182 -3.509 1.00 0.00 C ATOM 728 CG1 VAL A 54 3.972 4.255 -5.035 1.00 0.00 C ATOM 729 CG2 VAL A 54 2.821 3.510 -2.918 1.00 0.00 C ATOM 0 H VAL A 54 6.117 4.601 -1.491 1.00 0.00 H new ATOM 0 HA VAL A 54 5.164 2.398 -3.224 1.00 0.00 H new ATOM 0 HB VAL A 54 4.104 5.202 -3.127 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.055 4.771 -5.321 1.00 0.00 H new ATOM 0 HG12 VAL A 54 4.832 4.800 -5.425 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.964 3.246 -5.448 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.928 4.041 -3.247 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.772 2.475 -3.256 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.877 3.534 -1.830 1.00 0.00 H new ATOM 739 N ASN A 55 6.726 3.153 -5.015 1.00 0.00 N ATOM 740 CA ASN A 55 7.845 3.413 -5.903 1.00 0.00 C ATOM 741 C ASN A 55 9.072 3.794 -5.073 1.00 0.00 C ATOM 742 O ASN A 55 9.325 3.201 -4.025 1.00 0.00 O ATOM 743 CB ASN A 55 7.538 4.576 -6.850 1.00 0.00 C ATOM 744 CG ASN A 55 8.351 4.461 -8.142 1.00 0.00 C ATOM 745 OD1 ASN A 55 9.497 4.870 -8.222 1.00 0.00 O ATOM 746 ND2 ASN A 55 7.696 3.882 -9.144 1.00 0.00 N ATOM 0 H ASN A 55 6.102 2.407 -5.322 1.00 0.00 H new ATOM 0 HA ASN A 55 8.029 2.510 -6.486 1.00 0.00 H new ATOM 0 HB2 ASN A 55 6.474 4.587 -7.086 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.765 5.521 -6.356 1.00 0.00 H new ATOM 0 HD21 ASN A 55 8.153 3.758 -10.048 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.737 3.562 -9.009 1.00 0.00 H new ATOM 752 N ASP A 56 9.804 4.779 -5.572 1.00 0.00 N ATOM 753 CA ASP A 56 10.999 5.243 -4.889 1.00 0.00 C ATOM 754 C ASP A 56 10.597 6.174 -3.743 1.00 0.00 C ATOM 755 O ASP A 56 11.455 6.757 -3.082 1.00 0.00 O ATOM 756 CB ASP A 56 11.907 6.028 -5.840 1.00 0.00 C ATOM 757 CG ASP A 56 13.322 5.467 -5.993 1.00 0.00 C ATOM 758 OD1 ASP A 56 13.563 4.552 -6.795 1.00 0.00 O ATOM 759 OD2 ASP A 56 14.211 6.015 -5.236 1.00 0.00 O ATOM 0 H ASP A 56 9.592 5.269 -6.441 1.00 0.00 H new ATOM 0 HA ASP A 56 11.535 4.370 -4.516 1.00 0.00 H new ATOM 0 HB2 ASP A 56 11.437 6.060 -6.823 1.00 0.00 H new ATOM 0 HB3 ASP A 56 11.976 7.056 -5.486 1.00 0.00 H new ATOM 764 N VAL A 57 9.292 6.284 -3.543 1.00 0.00 N ATOM 765 CA VAL A 57 8.765 7.133 -2.489 1.00 0.00 C ATOM 766 C VAL A 57 8.789 6.369 -1.165 1.00 0.00 C ATOM 767 O VAL A 57 8.810 5.139 -1.154 1.00 0.00 O ATOM 768 CB VAL A 57 7.369 7.632 -2.867 1.00 0.00 C ATOM 769 CG1 VAL A 57 6.508 7.849 -1.621 1.00 0.00 C ATOM 770 CG2 VAL A 57 7.451 8.910 -3.706 1.00 0.00 C ATOM 0 H VAL A 57 8.584 5.799 -4.094 1.00 0.00 H new ATOM 0 HA VAL A 57 9.388 8.018 -2.364 1.00 0.00 H new ATOM 0 HB VAL A 57 6.892 6.863 -3.474 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.521 8.204 -1.918 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.408 6.908 -1.080 1.00 0.00 H new ATOM 0 HG13 VAL A 57 6.981 8.590 -0.976 1.00 0.00 H new ATOM 0 HG21 VAL A 57 6.445 9.243 -3.961 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.957 9.688 -3.135 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.009 8.710 -4.620 1.00 0.00 H new ATOM 780 N ASN A 58 8.784 7.129 -0.079 1.00 0.00 N ATOM 781 CA ASN A 58 8.805 6.538 1.248 1.00 0.00 C ATOM 782 C ASN A 58 8.103 7.478 2.231 1.00 0.00 C ATOM 783 O ASN A 58 8.740 8.339 2.834 1.00 0.00 O ATOM 784 CB ASN A 58 10.239 6.330 1.736 1.00 0.00 C ATOM 785 CG ASN A 58 10.960 5.280 0.888 1.00 0.00 C ATOM 786 OD1 ASN A 58 11.253 5.482 -0.280 1.00 0.00 O ATOM 787 ND2 ASN A 58 11.230 4.151 1.537 1.00 0.00 N ATOM 0 H ASN A 58 8.766 8.149 -0.091 1.00 0.00 H new ATOM 0 HA ASN A 58 8.299 5.574 1.196 1.00 0.00 H new ATOM 0 HB2 ASN A 58 10.782 7.274 1.692 1.00 0.00 H new ATOM 0 HB3 ASN A 58 10.230 6.016 2.780 1.00 0.00 H new ATOM 0 HD21 ASN A 58 11.710 3.389 1.057 1.00 0.00 H new ATOM 0 HD22 ASN A 58 10.957 4.047 2.514 1.00 0.00 H new ATOM 793 N PHE A 59 6.799 7.279 2.363 1.00 0.00 N ATOM 794 CA PHE A 59 6.005 8.098 3.261 1.00 0.00 C ATOM 795 C PHE A 59 6.095 7.580 4.699 1.00 0.00 C ATOM 796 O PHE A 59 5.075 7.313 5.331 1.00 0.00 O ATOM 797 CB PHE A 59 4.553 8.002 2.788 1.00 0.00 C ATOM 798 CG PHE A 59 4.309 8.604 1.403 1.00 0.00 C ATOM 799 CD1 PHE A 59 4.965 9.736 1.028 1.00 0.00 C ATOM 800 CD2 PHE A 59 3.437 8.009 0.546 1.00 0.00 C ATOM 801 CE1 PHE A 59 4.738 10.295 -0.257 1.00 0.00 C ATOM 802 CE2 PHE A 59 3.210 8.568 -0.739 1.00 0.00 C ATOM 803 CZ PHE A 59 3.866 9.699 -1.114 1.00 0.00 C ATOM 0 H PHE A 59 6.274 6.562 1.863 1.00 0.00 H new ATOM 0 HA PHE A 59 6.370 9.125 3.249 1.00 0.00 H new ATOM 0 HB2 PHE A 59 4.254 6.954 2.775 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.912 8.507 3.511 1.00 0.00 H new ATOM 0 HD1 PHE A 59 5.658 10.209 1.708 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.917 7.110 0.843 1.00 0.00 H new ATOM 0 HE1 PHE A 59 5.258 11.194 -0.554 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.517 8.095 -1.419 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.695 10.124 -2.092 1.00 0.00 H new ATOM 812 N GLU A 60 7.326 7.456 5.172 1.00 0.00 N ATOM 813 CA GLU A 60 7.563 6.975 6.523 1.00 0.00 C ATOM 814 C GLU A 60 7.253 8.075 7.540 1.00 0.00 C ATOM 815 O GLU A 60 6.489 7.858 8.480 1.00 0.00 O ATOM 816 CB GLU A 60 8.999 6.472 6.681 1.00 0.00 C ATOM 817 CG GLU A 60 9.174 5.097 6.032 1.00 0.00 C ATOM 818 CD GLU A 60 10.301 5.117 4.999 1.00 0.00 C ATOM 819 OE1 GLU A 60 11.158 6.013 5.034 1.00 0.00 O ATOM 820 OE2 GLU A 60 10.268 4.159 4.136 1.00 0.00 O ATOM 0 H GLU A 60 8.170 7.680 4.645 1.00 0.00 H new ATOM 0 HA GLU A 60 6.895 6.134 6.711 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.689 7.183 6.226 1.00 0.00 H new ATOM 0 HB3 GLU A 60 9.253 6.413 7.739 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.392 4.354 6.799 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.242 4.796 5.553 1.00 0.00 H new ATOM 826 N ASN A 61 7.859 9.232 7.316 1.00 0.00 N ATOM 827 CA ASN A 61 7.656 10.366 8.202 1.00 0.00 C ATOM 828 C ASN A 61 6.201 10.828 8.107 1.00 0.00 C ATOM 829 O ASN A 61 5.749 11.638 8.915 1.00 0.00 O ATOM 830 CB ASN A 61 8.552 11.541 7.805 1.00 0.00 C ATOM 831 CG ASN A 61 9.568 11.852 8.906 1.00 0.00 C ATOM 832 OD1 ASN A 61 10.539 11.142 9.109 1.00 0.00 O ATOM 833 ND2 ASN A 61 9.290 12.949 9.604 1.00 0.00 N ATOM 0 H ASN A 61 8.490 9.409 6.534 1.00 0.00 H new ATOM 0 HA ASN A 61 7.902 10.051 9.216 1.00 0.00 H new ATOM 0 HB2 ASN A 61 9.075 11.307 6.878 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.939 12.421 7.612 1.00 0.00 H new ATOM 0 HD21 ASN A 61 9.907 13.241 10.362 1.00 0.00 H new ATOM 0 HD22 ASN A 61 8.460 13.498 9.382 1.00 0.00 H new ATOM 839 N MET A 62 5.508 10.293 7.112 1.00 0.00 N ATOM 840 CA MET A 62 4.113 10.641 6.901 1.00 0.00 C ATOM 841 C MET A 62 3.220 10.000 7.966 1.00 0.00 C ATOM 842 O MET A 62 2.887 10.636 8.965 1.00 0.00 O ATOM 843 CB MET A 62 3.673 10.167 5.514 1.00 0.00 C ATOM 844 CG MET A 62 2.175 10.396 5.306 1.00 0.00 C ATOM 845 SD MET A 62 1.912 11.505 3.932 1.00 0.00 S ATOM 846 CE MET A 62 2.107 10.365 2.573 1.00 0.00 C ATOM 0 H MET A 62 5.886 9.622 6.444 1.00 0.00 H new ATOM 0 HA MET A 62 4.013 11.724 6.974 1.00 0.00 H new ATOM 0 HB2 MET A 62 4.236 10.700 4.748 1.00 0.00 H new ATOM 0 HB3 MET A 62 3.902 9.108 5.398 1.00 0.00 H new ATOM 0 HG2 MET A 62 1.676 9.445 5.117 1.00 0.00 H new ATOM 0 HG3 MET A 62 1.733 10.814 6.211 1.00 0.00 H new ATOM 0 HE1 MET A 62 2.996 10.630 2.000 1.00 0.00 H new ATOM 0 HE2 MET A 62 2.214 9.352 2.960 1.00 0.00 H new ATOM 0 HE3 MET A 62 1.231 10.416 1.927 1.00 0.00 H new ATOM 854 N SER A 63 2.861 8.750 7.717 1.00 0.00 N ATOM 855 CA SER A 63 2.014 8.016 8.643 1.00 0.00 C ATOM 856 C SER A 63 1.080 8.982 9.375 1.00 0.00 C ATOM 857 O SER A 63 0.882 8.863 10.584 1.00 0.00 O ATOM 858 CB SER A 63 2.853 7.223 9.647 1.00 0.00 C ATOM 859 OG SER A 63 2.107 6.881 10.813 1.00 0.00 O ATOM 0 H SER A 63 3.141 8.226 6.888 1.00 0.00 H new ATOM 0 HA SER A 63 1.416 7.306 8.071 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.222 6.314 9.173 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.726 7.810 9.934 1.00 0.00 H new ATOM 0 HG SER A 63 1.796 7.699 11.254 1.00 0.00 H new ATOM 864 N ASN A 64 0.532 9.917 8.614 1.00 0.00 N ATOM 865 CA ASN A 64 -0.376 10.902 9.176 1.00 0.00 C ATOM 866 C ASN A 64 -1.649 10.201 9.655 1.00 0.00 C ATOM 867 O ASN A 64 -1.925 10.161 10.854 1.00 0.00 O ATOM 868 CB ASN A 64 -0.776 11.943 8.128 1.00 0.00 C ATOM 869 CG ASN A 64 -1.255 13.235 8.794 1.00 0.00 C ATOM 870 OD1 ASN A 64 -0.623 13.775 9.687 1.00 0.00 O ATOM 871 ND2 ASN A 64 -2.404 13.699 8.311 1.00 0.00 N ATOM 0 H ASN A 64 0.699 10.014 7.612 1.00 0.00 H new ATOM 0 HA ASN A 64 0.134 11.398 10.002 1.00 0.00 H new ATOM 0 HB2 ASN A 64 0.074 12.157 7.480 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.567 11.541 7.494 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -2.807 14.556 8.689 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -2.882 13.198 7.562 1.00 0.00 H new ATOM 877 N ASP A 65 -2.389 9.667 8.696 1.00 0.00 N ATOM 878 CA ASP A 65 -3.626 8.970 9.006 1.00 0.00 C ATOM 879 C ASP A 65 -4.429 8.770 7.718 1.00 0.00 C ATOM 880 O ASP A 65 -5.067 7.734 7.536 1.00 0.00 O ATOM 881 CB ASP A 65 -4.487 9.780 9.978 1.00 0.00 C ATOM 882 CG ASP A 65 -5.944 9.326 10.084 1.00 0.00 C ATOM 883 OD1 ASP A 65 -6.371 8.383 9.403 1.00 0.00 O ATOM 884 OD2 ASP A 65 -6.664 9.996 10.920 1.00 0.00 O ATOM 0 H ASP A 65 -2.156 9.702 7.703 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.369 8.014 9.463 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -4.034 9.731 10.968 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -4.469 10.826 9.671 1.00 0.00 H new ATOM 889 N ASP A 66 -4.373 9.777 6.860 1.00 0.00 N ATOM 890 CA ASP A 66 -5.087 9.724 5.596 1.00 0.00 C ATOM 891 C ASP A 66 -4.115 10.026 4.453 1.00 0.00 C ATOM 892 O ASP A 66 -4.421 10.823 3.568 1.00 0.00 O ATOM 893 CB ASP A 66 -6.207 10.765 5.552 1.00 0.00 C ATOM 894 CG ASP A 66 -5.867 12.108 6.200 1.00 0.00 C ATOM 895 OD1 ASP A 66 -4.689 12.438 6.407 1.00 0.00 O ATOM 896 OD2 ASP A 66 -6.884 12.841 6.502 1.00 0.00 O ATOM 0 H ASP A 66 -3.844 10.635 7.015 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.517 8.728 5.493 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.480 10.940 4.511 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -7.086 10.352 6.047 1.00 0.00 H new ATOM 901 N ALA A 67 -2.964 9.372 4.510 1.00 0.00 N ATOM 902 CA ALA A 67 -1.946 9.561 3.490 1.00 0.00 C ATOM 903 C ALA A 67 -2.557 9.305 2.112 1.00 0.00 C ATOM 904 O ALA A 67 -2.009 9.731 1.096 1.00 0.00 O ATOM 905 CB ALA A 67 -0.756 8.643 3.781 1.00 0.00 C ATOM 0 H ALA A 67 -2.714 8.711 5.246 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.577 10.587 3.501 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.008 8.784 3.016 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.340 8.886 4.759 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.088 7.605 3.775 1.00 0.00 H new ATOM 911 N VAL A 68 -3.684 8.609 2.119 1.00 0.00 N ATOM 912 CA VAL A 68 -4.376 8.290 0.881 1.00 0.00 C ATOM 913 C VAL A 68 -4.567 9.571 0.065 1.00 0.00 C ATOM 914 O VAL A 68 -4.397 9.565 -1.153 1.00 0.00 O ATOM 915 CB VAL A 68 -5.693 7.575 1.187 1.00 0.00 C ATOM 916 CG1 VAL A 68 -6.750 7.895 0.128 1.00 0.00 C ATOM 917 CG2 VAL A 68 -5.481 6.065 1.311 1.00 0.00 C ATOM 0 H VAL A 68 -4.136 8.257 2.963 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.782 7.604 0.277 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.058 7.942 2.146 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.676 7.374 0.370 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.932 8.969 0.109 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.395 7.570 -0.850 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.433 5.581 1.529 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.081 5.676 0.375 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.777 5.861 2.118 1.00 0.00 H new ATOM 927 N ARG A 69 -4.915 10.638 0.769 1.00 0.00 N ATOM 928 CA ARG A 69 -5.130 11.922 0.125 1.00 0.00 C ATOM 929 C ARG A 69 -4.030 12.192 -0.903 1.00 0.00 C ATOM 930 O ARG A 69 -4.232 12.949 -1.849 1.00 0.00 O ATOM 931 CB ARG A 69 -5.150 13.056 1.151 1.00 0.00 C ATOM 932 CG ARG A 69 -5.224 14.420 0.461 1.00 0.00 C ATOM 933 CD ARG A 69 -6.236 15.333 1.156 1.00 0.00 C ATOM 934 NE ARG A 69 -7.462 15.448 0.334 1.00 0.00 N ATOM 935 CZ ARG A 69 -8.440 16.351 0.557 1.00 0.00 C ATOM 936 NH1 ARG A 69 -8.344 17.227 1.579 1.00 0.00 N ATOM 937 NH2 ARG A 69 -9.492 16.365 -0.239 1.00 0.00 N ATOM 0 H ARG A 69 -5.053 10.639 1.780 1.00 0.00 H new ATOM 0 HA ARG A 69 -6.097 11.884 -0.376 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.005 12.934 1.816 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -4.255 13.006 1.771 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -4.240 14.889 0.469 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -5.506 14.288 -0.584 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -6.484 14.933 2.139 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -5.800 16.319 1.314 1.00 0.00 H new ATOM 0 HE ARG A 69 -7.575 14.805 -0.450 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -7.528 17.210 2.190 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -9.088 17.906 1.740 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -9.558 15.700 -1.009 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -10.240 17.041 -0.084 1.00 0.00 H new ATOM 947 N VAL A 70 -2.888 11.556 -0.679 1.00 0.00 N ATOM 948 CA VAL A 70 -1.755 11.719 -1.574 1.00 0.00 C ATOM 949 C VAL A 70 -1.585 10.449 -2.411 1.00 0.00 C ATOM 950 O VAL A 70 -1.453 10.518 -3.631 1.00 0.00 O ATOM 951 CB VAL A 70 -0.502 12.077 -0.772 1.00 0.00 C ATOM 952 CG1 VAL A 70 0.576 11.003 -0.929 1.00 0.00 C ATOM 953 CG2 VAL A 70 0.032 13.454 -1.176 1.00 0.00 C ATOM 0 H VAL A 70 -2.724 10.928 0.108 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.930 12.544 -2.265 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.779 12.120 0.281 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.455 11.283 -0.349 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.193 10.048 -0.570 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.849 10.912 -1.980 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.923 13.685 -0.591 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.285 13.449 -2.236 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.731 14.210 -0.988 1.00 0.00 H new ATOM 963 N LEU A 71 -1.594 9.317 -1.720 1.00 0.00 N ATOM 964 CA LEU A 71 -1.442 8.034 -2.384 1.00 0.00 C ATOM 965 C LEU A 71 -2.421 7.953 -3.557 1.00 0.00 C ATOM 966 O LEU A 71 -2.069 7.471 -4.632 1.00 0.00 O ATOM 967 CB LEU A 71 -1.591 6.890 -1.379 1.00 0.00 C ATOM 968 CG LEU A 71 -0.631 5.713 -1.557 1.00 0.00 C ATOM 969 CD1 LEU A 71 0.475 5.743 -0.500 1.00 0.00 C ATOM 970 CD2 LEU A 71 -1.388 4.383 -1.557 1.00 0.00 C ATOM 0 H LEU A 71 -1.704 9.263 -0.707 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.438 7.936 -2.798 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.457 7.294 -0.376 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.612 6.513 -1.437 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.149 5.809 -2.530 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.144 4.895 -0.649 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.040 6.671 -0.590 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.030 5.684 0.493 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.682 3.563 -1.685 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.915 4.264 -0.610 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.107 4.374 -2.376 1.00 0.00 H new ATOM 981 N ARG A 72 -3.632 8.434 -3.311 1.00 0.00 N ATOM 982 CA ARG A 72 -4.664 8.422 -4.334 1.00 0.00 C ATOM 983 C ARG A 72 -4.265 9.327 -5.501 1.00 0.00 C ATOM 984 O ARG A 72 -4.802 9.202 -6.600 1.00 0.00 O ATOM 985 CB ARG A 72 -6.005 8.893 -3.767 1.00 0.00 C ATOM 986 CG ARG A 72 -7.140 8.631 -4.758 1.00 0.00 C ATOM 987 CD ARG A 72 -8.042 7.494 -4.270 1.00 0.00 C ATOM 988 NE ARG A 72 -9.210 7.354 -5.169 1.00 0.00 N ATOM 989 CZ ARG A 72 -9.900 6.205 -5.339 1.00 0.00 C ATOM 990 NH1 ARG A 72 -9.544 5.088 -4.672 1.00 0.00 N ATOM 991 NH2 ARG A 72 -10.928 6.194 -6.168 1.00 0.00 N ATOM 0 H ARG A 72 -3.921 8.834 -2.418 1.00 0.00 H new ATOM 0 HA ARG A 72 -4.771 7.396 -4.686 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -6.209 8.376 -2.829 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -5.954 9.958 -3.540 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.730 9.538 -4.889 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -6.725 8.378 -5.733 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -7.481 6.560 -4.241 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -8.378 7.696 -3.253 1.00 0.00 H new ATOM 0 HE ARG A 72 -9.512 8.176 -5.692 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -8.749 5.107 -4.034 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -10.070 4.225 -4.806 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -11.189 7.044 -6.668 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -11.460 5.335 -6.309 1.00 0.00 H new ATOM 1001 N GLU A 73 -3.325 10.219 -5.222 1.00 0.00 N ATOM 1002 CA GLU A 73 -2.849 11.144 -6.236 1.00 0.00 C ATOM 1003 C GLU A 73 -1.855 10.446 -7.167 1.00 0.00 C ATOM 1004 O GLU A 73 -1.631 10.894 -8.290 1.00 0.00 O ATOM 1005 CB GLU A 73 -2.221 12.384 -5.595 1.00 0.00 C ATOM 1006 CG GLU A 73 -0.694 12.336 -5.688 1.00 0.00 C ATOM 1007 CD GLU A 73 -0.071 13.624 -5.145 1.00 0.00 C ATOM 1008 OE1 GLU A 73 -0.477 14.725 -5.546 1.00 0.00 O ATOM 1009 OE2 GLU A 73 0.866 13.453 -4.276 1.00 0.00 O ATOM 0 H GLU A 73 -2.881 10.320 -4.309 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.702 11.474 -6.829 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.591 13.281 -6.091 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -2.523 12.450 -4.550 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.319 11.481 -5.126 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.394 12.192 -6.726 1.00 0.00 H new ATOM 1015 N ILE A 74 -1.285 9.361 -6.665 1.00 0.00 N ATOM 1016 CA ILE A 74 -0.320 8.596 -7.437 1.00 0.00 C ATOM 1017 C ILE A 74 -1.007 8.021 -8.677 1.00 0.00 C ATOM 1018 O ILE A 74 -1.072 8.676 -9.716 1.00 0.00 O ATOM 1019 CB ILE A 74 0.351 7.538 -6.560 1.00 0.00 C ATOM 1020 CG1 ILE A 74 0.937 8.166 -5.294 1.00 0.00 C ATOM 1021 CG2 ILE A 74 1.402 6.755 -7.350 1.00 0.00 C ATOM 1022 CD1 ILE A 74 2.368 8.651 -5.534 1.00 0.00 C ATOM 0 H ILE A 74 -1.473 8.993 -5.732 1.00 0.00 H new ATOM 0 HA ILE A 74 0.485 9.242 -7.788 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.411 6.825 -6.244 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.314 9.002 -4.977 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.928 7.437 -4.484 1.00 0.00 H new ATOM 0 HG21 ILE A 74 1.863 6.010 -6.702 1.00 0.00 H new ATOM 0 HG22 ILE A 74 0.926 6.257 -8.195 1.00 0.00 H new ATOM 0 HG23 ILE A 74 2.167 7.440 -7.717 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.761 9.093 -4.618 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.994 7.808 -5.827 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.371 9.398 -6.328 1.00 0.00 H new ATOM 1033 N VAL A 75 -1.504 6.802 -8.528 1.00 0.00 N ATOM 1034 CA VAL A 75 -2.184 6.131 -9.622 1.00 0.00 C ATOM 1035 C VAL A 75 -3.051 7.142 -10.375 1.00 0.00 C ATOM 1036 O VAL A 75 -3.128 7.109 -11.602 1.00 0.00 O ATOM 1037 CB VAL A 75 -2.981 4.938 -9.091 1.00 0.00 C ATOM 1038 CG1 VAL A 75 -2.148 3.656 -9.142 1.00 0.00 C ATOM 1039 CG2 VAL A 75 -3.490 5.206 -7.673 1.00 0.00 C ATOM 0 H VAL A 75 -1.449 6.261 -7.665 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.461 5.730 -10.332 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.848 4.800 -9.737 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.738 2.823 -8.759 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.858 3.451 -10.173 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.254 3.779 -8.531 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.053 4.342 -7.319 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -2.643 5.383 -7.010 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -4.137 6.083 -7.678 1.00 0.00 H new ATOM 1049 N SER A 76 -3.682 8.019 -9.607 1.00 0.00 N ATOM 1050 CA SER A 76 -4.541 9.039 -10.186 1.00 0.00 C ATOM 1051 C SER A 76 -3.792 9.791 -11.287 1.00 0.00 C ATOM 1052 O SER A 76 -4.137 9.682 -12.463 1.00 0.00 O ATOM 1053 CB SER A 76 -5.034 10.015 -9.116 1.00 0.00 C ATOM 1054 OG SER A 76 -5.540 11.219 -9.685 1.00 0.00 O ATOM 0 H SER A 76 -3.616 8.044 -8.589 1.00 0.00 H new ATOM 0 HA SER A 76 -5.412 8.547 -10.620 1.00 0.00 H new ATOM 0 HB2 SER A 76 -5.814 9.539 -8.522 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.216 10.251 -8.436 1.00 0.00 H new ATOM 0 HG SER A 76 -5.846 11.815 -8.970 1.00 0.00 H new ATOM 1059 N GLN A 77 -2.781 10.537 -10.868 1.00 0.00 N ATOM 1060 CA GLN A 77 -1.979 11.307 -11.803 1.00 0.00 C ATOM 1061 C GLN A 77 -0.496 10.979 -11.628 1.00 0.00 C ATOM 1062 O GLN A 77 -0.078 9.844 -11.852 1.00 0.00 O ATOM 1063 CB GLN A 77 -2.232 12.807 -11.636 1.00 0.00 C ATOM 1064 CG GLN A 77 -3.699 13.150 -11.910 1.00 0.00 C ATOM 1065 CD GLN A 77 -3.815 14.382 -12.810 1.00 0.00 C ATOM 1066 OE1 GLN A 77 -3.041 15.322 -12.721 1.00 0.00 O ATOM 1067 NE2 GLN A 77 -4.821 14.326 -13.678 1.00 0.00 N ATOM 0 H GLN A 77 -2.498 10.625 -9.892 1.00 0.00 H new ATOM 0 HA GLN A 77 -2.274 11.032 -12.816 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -1.966 13.114 -10.625 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -1.591 13.366 -12.318 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -4.192 12.301 -12.384 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -4.215 13.334 -10.968 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -5.431 13.509 -13.699 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -4.982 15.100 -14.322 1.00 0.00 H new ATOM 1074 N THR A 78 0.258 11.992 -11.230 1.00 0.00 N ATOM 1075 CA THR A 78 1.687 11.825 -11.021 1.00 0.00 C ATOM 1076 C THR A 78 1.957 10.613 -10.128 1.00 0.00 C ATOM 1077 O THR A 78 1.036 9.881 -9.773 1.00 0.00 O ATOM 1078 CB THR A 78 2.238 13.134 -10.454 1.00 0.00 C ATOM 1079 OG1 THR A 78 1.488 13.338 -9.260 1.00 0.00 O ATOM 1080 CG2 THR A 78 1.890 14.342 -11.325 1.00 0.00 C ATOM 0 H THR A 78 -0.093 12.932 -11.046 1.00 0.00 H new ATOM 0 HA THR A 78 2.203 11.619 -11.959 1.00 0.00 H new ATOM 0 HB THR A 78 3.321 13.059 -10.355 1.00 0.00 H new ATOM 0 HG1 THR A 78 1.782 14.166 -8.826 1.00 0.00 H new ATOM 0 HG21 THR A 78 2.305 15.245 -10.877 1.00 0.00 H new ATOM 0 HG22 THR A 78 2.310 14.205 -12.321 1.00 0.00 H new ATOM 0 HG23 THR A 78 0.807 14.438 -11.398 1.00 0.00 H new ATOM 1088 N GLY A 79 3.226 10.439 -9.789 1.00 0.00 N ATOM 1089 CA GLY A 79 3.630 9.328 -8.944 1.00 0.00 C ATOM 1090 C GLY A 79 3.544 8.003 -9.702 1.00 0.00 C ATOM 1091 O GLY A 79 2.458 7.574 -10.090 1.00 0.00 O ATOM 0 H GLY A 79 3.988 11.049 -10.084 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.650 9.485 -8.594 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.993 9.288 -8.061 1.00 0.00 H new ATOM 1095 N PRO A 80 4.735 7.373 -9.896 1.00 0.00 N ATOM 1096 CA PRO A 80 4.804 6.105 -10.600 1.00 0.00 C ATOM 1097 C PRO A 80 4.303 4.959 -9.719 1.00 0.00 C ATOM 1098 O PRO A 80 4.465 4.991 -8.500 1.00 0.00 O ATOM 1099 CB PRO A 80 6.264 5.954 -10.996 1.00 0.00 C ATOM 1100 CG PRO A 80 7.039 6.908 -10.101 1.00 0.00 C ATOM 1101 CD PRO A 80 6.040 7.851 -9.450 1.00 0.00 C ATOM 0 HA PRO A 80 4.161 6.078 -11.479 1.00 0.00 H new ATOM 0 HB2 PRO A 80 6.602 4.927 -10.858 1.00 0.00 H new ATOM 0 HB3 PRO A 80 6.411 6.199 -12.048 1.00 0.00 H new ATOM 0 HG2 PRO A 80 7.592 6.355 -9.342 1.00 0.00 H new ATOM 0 HG3 PRO A 80 7.770 7.469 -10.683 1.00 0.00 H new ATOM 0 HD2 PRO A 80 6.121 7.825 -8.363 1.00 0.00 H new ATOM 0 HD3 PRO A 80 6.210 8.883 -9.758 1.00 0.00 H new ATOM 1106 N ILE A 81 3.703 3.972 -10.369 1.00 0.00 N ATOM 1107 CA ILE A 81 3.176 2.819 -9.660 1.00 0.00 C ATOM 1108 C ILE A 81 4.337 1.934 -9.202 1.00 0.00 C ATOM 1109 O ILE A 81 5.341 1.809 -9.902 1.00 0.00 O ATOM 1110 CB ILE A 81 2.146 2.086 -10.521 1.00 0.00 C ATOM 1111 CG1 ILE A 81 0.744 2.659 -10.304 1.00 0.00 C ATOM 1112 CG2 ILE A 81 2.194 0.578 -10.267 1.00 0.00 C ATOM 1113 CD1 ILE A 81 -0.225 2.158 -11.378 1.00 0.00 C ATOM 0 H ILE A 81 3.570 3.948 -11.380 1.00 0.00 H new ATOM 0 HA ILE A 81 2.642 3.134 -8.764 1.00 0.00 H new ATOM 0 HB ILE A 81 2.401 2.245 -11.569 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.379 2.373 -9.318 1.00 0.00 H new ATOM 0 HG13 ILE A 81 0.785 3.748 -10.325 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.452 0.080 -10.891 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.187 0.199 -10.511 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.978 0.379 -9.217 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.214 2.580 -11.201 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.130 2.467 -12.361 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.282 1.070 -11.338 1.00 0.00 H new ATOM 1124 N SER A 82 4.161 1.341 -8.030 1.00 0.00 N ATOM 1125 CA SER A 82 5.181 0.471 -7.471 1.00 0.00 C ATOM 1126 C SER A 82 5.040 0.409 -5.949 1.00 0.00 C ATOM 1127 O SER A 82 6.032 0.485 -5.226 1.00 0.00 O ATOM 1128 CB SER A 82 6.584 0.949 -7.854 1.00 0.00 C ATOM 1129 OG SER A 82 7.583 0.424 -6.984 1.00 0.00 O ATOM 0 H SER A 82 3.327 1.446 -7.452 1.00 0.00 H new ATOM 0 HA SER A 82 5.041 -0.528 -7.884 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.802 0.649 -8.879 1.00 0.00 H new ATOM 0 HB3 SER A 82 6.616 2.038 -7.827 1.00 0.00 H new ATOM 0 HG SER A 82 7.365 0.657 -6.057 1.00 0.00 H new ATOM 1134 N LEU A 83 3.797 0.272 -5.507 1.00 0.00 N ATOM 1135 CA LEU A 83 3.514 0.199 -4.085 1.00 0.00 C ATOM 1136 C LEU A 83 4.620 -0.594 -3.387 1.00 0.00 C ATOM 1137 O LEU A 83 5.184 -1.521 -3.968 1.00 0.00 O ATOM 1138 CB LEU A 83 2.111 -0.365 -3.847 1.00 0.00 C ATOM 1139 CG LEU A 83 1.049 0.022 -4.879 1.00 0.00 C ATOM 1140 CD1 LEU A 83 1.031 -0.970 -6.044 1.00 0.00 C ATOM 1141 CD2 LEU A 83 -0.326 0.161 -4.225 1.00 0.00 C ATOM 0 H LEU A 83 2.976 0.210 -6.109 1.00 0.00 H new ATOM 0 HA LEU A 83 3.512 1.197 -3.646 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.179 -1.452 -3.815 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.771 -0.037 -2.865 1.00 0.00 H new ATOM 0 HG LEU A 83 1.311 0.997 -5.289 1.00 0.00 H new ATOM 0 HD11 LEU A 83 0.268 -0.673 -6.763 1.00 0.00 H new ATOM 0 HD12 LEU A 83 2.006 -0.977 -6.531 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.806 -1.968 -5.668 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -1.062 0.437 -4.980 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.610 -0.788 -3.770 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.287 0.934 -3.457 1.00 0.00 H new ATOM 1152 N THR A 84 4.898 -0.202 -2.153 1.00 0.00 N ATOM 1153 CA THR A 84 5.928 -0.864 -1.371 1.00 0.00 C ATOM 1154 C THR A 84 5.487 -0.996 0.088 1.00 0.00 C ATOM 1155 O THR A 84 4.780 -0.134 0.608 1.00 0.00 O ATOM 1156 CB THR A 84 7.230 -0.080 -1.543 1.00 0.00 C ATOM 1157 OG1 THR A 84 7.551 -0.240 -2.922 1.00 0.00 O ATOM 1158 CG2 THR A 84 8.406 -0.730 -0.809 1.00 0.00 C ATOM 0 H THR A 84 4.428 0.566 -1.675 1.00 0.00 H new ATOM 0 HA THR A 84 6.097 -1.882 -1.721 1.00 0.00 H new ATOM 0 HB THR A 84 7.092 0.938 -1.178 1.00 0.00 H new ATOM 0 HG1 THR A 84 8.382 0.239 -3.122 1.00 0.00 H new ATOM 0 HG21 THR A 84 9.305 -0.134 -0.963 1.00 0.00 H new ATOM 0 HG22 THR A 84 8.185 -0.784 0.257 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.566 -1.736 -1.197 1.00 0.00 H new ATOM 1166 N VAL A 85 5.923 -2.082 0.709 1.00 0.00 N ATOM 1167 CA VAL A 85 5.581 -2.339 2.097 1.00 0.00 C ATOM 1168 C VAL A 85 6.842 -2.754 2.860 1.00 0.00 C ATOM 1169 O VAL A 85 7.780 -3.290 2.271 1.00 0.00 O ATOM 1170 CB VAL A 85 4.464 -3.380 2.179 1.00 0.00 C ATOM 1171 CG1 VAL A 85 3.243 -2.938 1.371 1.00 0.00 C ATOM 1172 CG2 VAL A 85 4.960 -4.753 1.717 1.00 0.00 C ATOM 0 H VAL A 85 6.511 -2.794 0.276 1.00 0.00 H new ATOM 0 HA VAL A 85 5.197 -1.434 2.568 1.00 0.00 H new ATOM 0 HB VAL A 85 4.162 -3.466 3.223 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.463 -3.696 1.446 1.00 0.00 H new ATOM 0 HG12 VAL A 85 2.869 -1.993 1.764 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.525 -2.810 0.326 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.147 -5.475 1.785 1.00 0.00 H new ATOM 0 HG22 VAL A 85 5.302 -4.688 0.684 1.00 0.00 H new ATOM 0 HG23 VAL A 85 5.785 -5.075 2.353 1.00 0.00 H new ATOM 1182 N ALA A 86 6.824 -2.490 4.158 1.00 0.00 N ATOM 1183 CA ALA A 86 7.953 -2.828 5.007 1.00 0.00 C ATOM 1184 C ALA A 86 7.708 -4.194 5.654 1.00 0.00 C ATOM 1185 O ALA A 86 7.988 -4.383 6.836 1.00 0.00 O ATOM 1186 CB ALA A 86 8.165 -1.722 6.042 1.00 0.00 C ATOM 0 H ALA A 86 6.044 -2.045 4.643 1.00 0.00 H new ATOM 0 HA ALA A 86 8.867 -2.901 4.418 1.00 0.00 H new ATOM 0 HB1 ALA A 86 9.012 -1.977 6.678 1.00 0.00 H new ATOM 0 HB2 ALA A 86 8.365 -0.780 5.532 1.00 0.00 H new ATOM 0 HB3 ALA A 86 7.269 -1.620 6.654 1.00 0.00 H new