USER MOD reduce.3.24.130724 H: found=0, std=0, add=430, rem=0, adj=11 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 Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 26:sc= 0.882 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 128:sc= -0.254 (180deg=-1.25) USER MOD Single : A 53 GLN : amide:sc= -3.93! C(o=-3.9!,f=-5.9!) USER MOD Single : A 55 ASN : amide:sc= -3.18! C(o=-3.2!,f=-6.9!) USER MOD Single : A 58 ASN : amide:sc= -0.768 X(o=-0.77,f=-1.1) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 MET CE :methyl -147:sc= -6.95! (180deg=-9.4!) USER MOD Single : A 63 SER OG : rot -69:sc= 0.173 USER MOD Single : A 64 ASN : amide:sc= -0.118 X(o=-0.12,f=-0.53) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.061 X(o=-0.061,f=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 87:sc= 1.12 USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.0168 USER MOD ----------------------------------------------------------------- ATOM 15 N VAL A 2 6.424 -4.565 -3.180 1.00 0.00 N ATOM 16 CA VAL A 2 6.040 -5.357 -4.337 1.00 0.00 C ATOM 17 C VAL A 2 5.998 -4.458 -5.574 1.00 0.00 C ATOM 18 O VAL A 2 5.720 -3.264 -5.469 1.00 0.00 O ATOM 19 CB VAL A 2 4.711 -6.066 -4.068 1.00 0.00 C ATOM 20 CG1 VAL A 2 4.226 -6.812 -5.313 1.00 0.00 C ATOM 21 CG2 VAL A 2 4.828 -7.014 -2.872 1.00 0.00 C ATOM 0 HA VAL A 2 6.777 -6.137 -4.527 1.00 0.00 H new ATOM 0 HB VAL A 2 3.969 -5.306 -3.822 1.00 0.00 H new ATOM 0 HG11 VAL A 2 3.280 -7.307 -5.095 1.00 0.00 H new ATOM 0 HG12 VAL A 2 4.085 -6.104 -6.130 1.00 0.00 H new ATOM 0 HG13 VAL A 2 4.967 -7.557 -5.602 1.00 0.00 H new ATOM 0 HG21 VAL A 2 3.870 -7.505 -2.702 1.00 0.00 H new ATOM 0 HG22 VAL A 2 5.590 -7.766 -3.077 1.00 0.00 H new ATOM 0 HG23 VAL A 2 5.107 -6.447 -1.984 1.00 0.00 H new ATOM 31 N THR A 3 6.277 -5.065 -6.717 1.00 0.00 N ATOM 32 CA THR A 3 6.275 -4.335 -7.973 1.00 0.00 C ATOM 33 C THR A 3 5.166 -4.854 -8.891 1.00 0.00 C ATOM 34 O THR A 3 5.340 -5.864 -9.570 1.00 0.00 O ATOM 35 CB THR A 3 7.672 -4.444 -8.586 1.00 0.00 C ATOM 36 OG1 THR A 3 8.511 -3.758 -7.663 1.00 0.00 O ATOM 37 CG2 THR A 3 7.807 -3.640 -9.882 1.00 0.00 C ATOM 0 H THR A 3 6.506 -6.055 -6.800 1.00 0.00 H new ATOM 0 HA THR A 3 6.055 -3.279 -7.816 1.00 0.00 H new ATOM 0 HB THR A 3 7.901 -5.491 -8.783 1.00 0.00 H new ATOM 0 HG1 THR A 3 9.437 -3.782 -7.983 1.00 0.00 H new ATOM 0 HG21 THR A 3 8.817 -3.751 -10.276 1.00 0.00 H new ATOM 0 HG22 THR A 3 7.089 -4.008 -10.615 1.00 0.00 H new ATOM 0 HG23 THR A 3 7.611 -2.587 -9.679 1.00 0.00 H new ATOM 201 N ILE A 14 -8.659 0.132 -2.670 1.00 0.00 N ATOM 202 CA ILE A 14 -7.748 -0.042 -1.551 1.00 0.00 C ATOM 203 C ILE A 14 -8.071 0.995 -0.472 1.00 0.00 C ATOM 204 O ILE A 14 -8.907 1.873 -0.679 1.00 0.00 O ATOM 205 CB ILE A 14 -6.296 0.001 -2.029 1.00 0.00 C ATOM 206 CG1 ILE A 14 -6.099 1.086 -3.088 1.00 0.00 C ATOM 207 CG2 ILE A 14 -5.842 -1.374 -2.526 1.00 0.00 C ATOM 208 CD1 ILE A 14 -4.741 1.773 -2.924 1.00 0.00 C ATOM 0 HA ILE A 14 -7.881 -1.026 -1.101 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.664 0.262 -1.180 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.170 0.646 -4.083 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -6.896 1.825 -3.009 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.806 -1.316 -2.860 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -5.922 -2.098 -1.716 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.474 -1.688 -3.357 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -4.627 2.540 -3.690 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -4.683 2.233 -1.938 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.945 1.035 -3.028 1.00 0.00 H new ATOM 219 N SER A 15 -7.390 0.858 0.657 1.00 0.00 N ATOM 220 CA SER A 15 -7.593 1.771 1.769 1.00 0.00 C ATOM 221 C SER A 15 -6.449 1.635 2.774 1.00 0.00 C ATOM 222 O SER A 15 -5.796 0.595 2.839 1.00 0.00 O ATOM 223 CB SER A 15 -8.937 1.515 2.454 1.00 0.00 C ATOM 224 OG SER A 15 -9.820 2.626 2.330 1.00 0.00 O ATOM 0 H SER A 15 -6.697 0.128 0.825 1.00 0.00 H new ATOM 0 HA SER A 15 -7.604 2.788 1.378 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.403 0.631 2.019 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.771 1.300 3.510 1.00 0.00 H new ATOM 0 HG SER A 15 -10.667 2.422 2.779 1.00 0.00 H new ATOM 229 N ILE A 16 -6.242 2.699 3.535 1.00 0.00 N ATOM 230 CA ILE A 16 -5.188 2.710 4.535 1.00 0.00 C ATOM 231 C ILE A 16 -5.812 2.841 5.926 1.00 0.00 C ATOM 232 O ILE A 16 -7.021 3.027 6.053 1.00 0.00 O ATOM 233 CB ILE A 16 -4.159 3.798 4.217 1.00 0.00 C ATOM 234 CG1 ILE A 16 -4.806 5.184 4.226 1.00 0.00 C ATOM 235 CG2 ILE A 16 -3.444 3.507 2.896 1.00 0.00 C ATOM 236 CD1 ILE A 16 -4.193 6.069 5.314 1.00 0.00 C ATOM 0 H ILE A 16 -6.786 3.560 3.479 1.00 0.00 H new ATOM 0 HA ILE A 16 -4.638 1.769 4.519 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.402 3.792 5.001 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.676 5.656 3.252 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.879 5.087 4.393 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.719 4.295 2.694 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.929 2.549 2.964 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -4.174 3.470 2.088 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.671 7.048 5.298 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -4.346 5.606 6.289 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.125 6.184 5.131 1.00 0.00 H new ATOM 247 N VAL A 17 -4.958 2.741 6.935 1.00 0.00 N ATOM 248 CA VAL A 17 -5.410 2.847 8.312 1.00 0.00 C ATOM 249 C VAL A 17 -4.198 3.010 9.231 1.00 0.00 C ATOM 250 O VAL A 17 -3.058 2.893 8.786 1.00 0.00 O ATOM 251 CB VAL A 17 -6.275 1.636 8.673 1.00 0.00 C ATOM 252 CG1 VAL A 17 -5.464 0.341 8.596 1.00 0.00 C ATOM 253 CG2 VAL A 17 -6.907 1.807 10.055 1.00 0.00 C ATOM 0 H VAL A 17 -3.956 2.588 6.826 1.00 0.00 H new ATOM 0 HA VAL A 17 -6.037 3.729 8.441 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.081 1.570 7.942 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.102 -0.504 8.857 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.084 0.209 7.583 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.628 0.393 9.293 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.516 0.933 10.287 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.122 1.911 10.804 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.534 2.698 10.060 1.00 0.00 H new ATOM 263 N GLY A 18 -4.488 3.279 10.496 1.00 0.00 N ATOM 264 CA GLY A 18 -3.436 3.461 11.481 1.00 0.00 C ATOM 265 C GLY A 18 -3.796 2.774 12.801 1.00 0.00 C ATOM 266 O GLY A 18 -4.671 1.910 12.836 1.00 0.00 O ATOM 0 H GLY A 18 -5.436 3.375 10.861 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -2.500 3.054 11.098 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.274 4.525 11.653 1.00 0.00 H new ATOM 366 N GLY A 27 3.092 2.726 11.808 1.00 0.00 N ATOM 367 CA GLY A 27 3.219 2.601 10.366 1.00 0.00 C ATOM 368 C GLY A 27 1.872 2.260 9.725 1.00 0.00 C ATOM 369 O GLY A 27 1.398 1.130 9.832 1.00 0.00 O ATOM 0 HA2 GLY A 27 3.599 3.533 9.949 1.00 0.00 H new ATOM 0 HA3 GLY A 27 3.946 1.825 10.127 1.00 0.00 H new ATOM 373 N ILE A 28 1.293 3.258 9.072 1.00 0.00 N ATOM 374 CA ILE A 28 0.010 3.077 8.414 1.00 0.00 C ATOM 375 C ILE A 28 0.057 1.814 7.551 1.00 0.00 C ATOM 376 O ILE A 28 1.054 1.556 6.877 1.00 0.00 O ATOM 377 CB ILE A 28 -0.377 4.338 7.639 1.00 0.00 C ATOM 378 CG1 ILE A 28 -0.460 5.549 8.569 1.00 0.00 C ATOM 379 CG2 ILE A 28 -1.675 4.124 6.858 1.00 0.00 C ATOM 380 CD1 ILE A 28 -1.467 5.307 9.696 1.00 0.00 C ATOM 0 H ILE A 28 1.689 4.194 8.985 1.00 0.00 H new ATOM 0 HA ILE A 28 -0.779 2.929 9.152 1.00 0.00 H new ATOM 0 HB ILE A 28 0.407 4.546 6.910 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.523 5.755 8.993 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.752 6.431 7.999 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.928 5.035 6.316 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.543 3.306 6.150 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.480 3.879 7.551 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.507 6.183 10.343 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.454 5.126 9.270 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.159 4.439 10.279 1.00 0.00 H new ATOM 391 N TYR A 29 -1.031 1.062 7.599 1.00 0.00 N ATOM 392 CA TYR A 29 -1.126 -0.168 6.829 1.00 0.00 C ATOM 393 C TYR A 29 -2.455 -0.242 6.076 1.00 0.00 C ATOM 394 O TYR A 29 -3.486 0.197 6.583 1.00 0.00 O ATOM 395 CB TYR A 29 -1.067 -1.308 7.847 1.00 0.00 C ATOM 396 CG TYR A 29 -2.082 -1.181 8.985 1.00 0.00 C ATOM 397 CD1 TYR A 29 -1.917 -0.211 9.952 1.00 0.00 C ATOM 398 CD2 TYR A 29 -3.163 -2.036 9.043 1.00 0.00 C ATOM 399 CE1 TYR A 29 -2.873 -0.090 11.022 1.00 0.00 C ATOM 400 CE2 TYR A 29 -4.118 -1.917 10.114 1.00 0.00 C ATOM 401 CZ TYR A 29 -3.927 -0.949 11.051 1.00 0.00 C ATOM 402 OH TYR A 29 -4.829 -0.836 12.061 1.00 0.00 O ATOM 0 H TYR A 29 -1.855 1.279 8.159 1.00 0.00 H new ATOM 0 HA TYR A 29 -0.324 -0.223 6.093 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -1.234 -2.252 7.329 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -0.064 -1.350 8.272 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -1.070 0.458 9.906 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.293 -2.794 8.285 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -2.756 0.666 11.784 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -4.967 -2.582 10.172 1.00 0.00 H new ATOM 0 HH TYR A 29 -4.830 0.084 12.397 1.00 0.00 H new ATOM 411 N ILE A 30 -2.388 -0.800 4.876 1.00 0.00 N ATOM 412 CA ILE A 30 -3.574 -0.937 4.048 1.00 0.00 C ATOM 413 C ILE A 30 -4.717 -1.507 4.890 1.00 0.00 C ATOM 414 O ILE A 30 -4.590 -2.588 5.464 1.00 0.00 O ATOM 415 CB ILE A 30 -3.261 -1.762 2.797 1.00 0.00 C ATOM 416 CG1 ILE A 30 -4.154 -1.344 1.627 1.00 0.00 C ATOM 417 CG2 ILE A 30 -3.362 -3.260 3.089 1.00 0.00 C ATOM 418 CD1 ILE A 30 -3.752 0.033 1.095 1.00 0.00 C ATOM 0 H ILE A 30 -1.531 -1.162 4.458 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.900 0.038 3.686 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.231 -1.560 2.503 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.082 -2.082 0.828 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.195 -1.324 1.949 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.135 -3.823 2.184 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.651 -3.527 3.871 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.372 -3.499 3.421 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.402 0.306 0.264 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.849 0.773 1.890 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.718 0.003 0.752 1.00 0.00 H new ATOM 429 N GLY A 31 -5.807 -0.755 4.937 1.00 0.00 N ATOM 430 CA GLY A 31 -6.972 -1.172 5.699 1.00 0.00 C ATOM 431 C GLY A 31 -7.452 -2.554 5.253 1.00 0.00 C ATOM 432 O GLY A 31 -7.775 -3.402 6.084 1.00 0.00 O ATOM 0 H GLY A 31 -5.908 0.141 4.460 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.728 -1.193 6.761 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.774 -0.445 5.571 1.00 0.00 H new ATOM 436 N SER A 32 -7.487 -2.739 3.941 1.00 0.00 N ATOM 437 CA SER A 32 -7.925 -4.003 3.374 1.00 0.00 C ATOM 438 C SER A 32 -7.866 -3.941 1.848 1.00 0.00 C ATOM 439 O SER A 32 -7.670 -2.870 1.274 1.00 0.00 O ATOM 440 CB SER A 32 -9.339 -4.355 3.838 1.00 0.00 C ATOM 441 OG SER A 32 -10.257 -3.291 3.604 1.00 0.00 O ATOM 0 H SER A 32 -7.219 -2.034 3.254 1.00 0.00 H new ATOM 0 HA SER A 32 -7.252 -4.786 3.725 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.680 -5.249 3.316 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.323 -4.593 4.902 1.00 0.00 H new ATOM 0 HG SER A 32 -11.149 -3.555 3.912 1.00 0.00 H new ATOM 446 N ILE A 33 -8.040 -5.100 1.232 1.00 0.00 N ATOM 447 CA ILE A 33 -8.011 -5.190 -0.218 1.00 0.00 C ATOM 448 C ILE A 33 -9.312 -5.825 -0.712 1.00 0.00 C ATOM 449 O ILE A 33 -9.762 -6.832 -0.166 1.00 0.00 O ATOM 450 CB ILE A 33 -6.752 -5.926 -0.684 1.00 0.00 C ATOM 451 CG1 ILE A 33 -5.490 -5.229 -0.171 1.00 0.00 C ATOM 452 CG2 ILE A 33 -6.742 -6.086 -2.205 1.00 0.00 C ATOM 453 CD1 ILE A 33 -5.094 -5.758 1.209 1.00 0.00 C ATOM 0 H ILE A 33 -8.202 -5.986 1.711 1.00 0.00 H new ATOM 0 HA ILE A 33 -7.954 -4.195 -0.660 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.763 -6.928 -0.256 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.672 -5.387 -0.874 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -5.660 -4.154 -0.117 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -5.837 -6.612 -2.510 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -7.616 -6.658 -2.516 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -6.766 -5.103 -2.674 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.194 -5.246 1.550 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.905 -5.576 1.915 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.901 -6.829 1.146 1.00 0.00 H new ATOM 464 N MET A 34 -9.880 -5.211 -1.740 1.00 0.00 N ATOM 465 CA MET A 34 -11.120 -5.705 -2.314 1.00 0.00 C ATOM 466 C MET A 34 -11.144 -7.234 -2.338 1.00 0.00 C ATOM 467 O MET A 34 -12.210 -7.843 -2.257 1.00 0.00 O ATOM 468 CB MET A 34 -11.272 -5.169 -3.739 1.00 0.00 C ATOM 469 CG MET A 34 -11.880 -3.765 -3.737 1.00 0.00 C ATOM 470 SD MET A 34 -13.534 -3.818 -3.069 1.00 0.00 S ATOM 471 CE MET A 34 -14.471 -4.013 -4.577 1.00 0.00 C ATOM 0 H MET A 34 -9.504 -4.376 -2.190 1.00 0.00 H new ATOM 0 HA MET A 34 -11.948 -5.358 -1.695 1.00 0.00 H new ATOM 0 HB2 MET A 34 -10.298 -5.146 -4.228 1.00 0.00 H new ATOM 0 HB3 MET A 34 -11.904 -5.842 -4.318 1.00 0.00 H new ATOM 0 HG2 MET A 34 -11.261 -3.092 -3.144 1.00 0.00 H new ATOM 0 HG3 MET A 34 -11.901 -3.367 -4.752 1.00 0.00 H new ATOM 0 HE1 MET A 34 -15.534 -4.064 -4.341 1.00 0.00 H new ATOM 0 HE2 MET A 34 -14.285 -3.163 -5.233 1.00 0.00 H new ATOM 0 HE3 MET A 34 -14.166 -4.932 -5.078 1.00 0.00 H new ATOM 595 N ILE A 45 -3.347 -10.186 -0.782 1.00 0.00 N ATOM 596 CA ILE A 45 -2.669 -9.165 -0.003 1.00 0.00 C ATOM 597 C ILE A 45 -3.308 -9.081 1.385 1.00 0.00 C ATOM 598 O ILE A 45 -4.431 -9.541 1.584 1.00 0.00 O ATOM 599 CB ILE A 45 -2.658 -7.834 -0.756 1.00 0.00 C ATOM 600 CG1 ILE A 45 -1.819 -7.932 -2.032 1.00 0.00 C ATOM 601 CG2 ILE A 45 -2.193 -6.693 0.151 1.00 0.00 C ATOM 602 CD1 ILE A 45 -0.364 -8.271 -1.705 1.00 0.00 C ATOM 0 HA ILE A 45 -1.622 -9.430 0.142 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.680 -7.606 -1.060 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.236 -8.696 -2.688 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.863 -6.988 -2.574 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -2.195 -5.758 -0.410 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.868 -6.607 1.002 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.184 -6.900 0.508 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.211 -8.335 -2.629 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.057 -7.492 -1.069 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.321 -9.228 -1.184 1.00 0.00 H new ATOM 613 N GLU A 46 -2.564 -8.490 2.309 1.00 0.00 N ATOM 614 CA GLU A 46 -3.044 -8.339 3.672 1.00 0.00 C ATOM 615 C GLU A 46 -3.157 -6.858 4.035 1.00 0.00 C ATOM 616 O GLU A 46 -2.593 -6.003 3.352 1.00 0.00 O ATOM 617 CB GLU A 46 -2.135 -9.078 4.657 1.00 0.00 C ATOM 618 CG GLU A 46 -2.448 -10.576 4.674 1.00 0.00 C ATOM 619 CD GLU A 46 -2.686 -11.070 6.102 1.00 0.00 C ATOM 620 OE1 GLU A 46 -3.786 -11.545 6.417 1.00 0.00 O ATOM 621 OE2 GLU A 46 -1.678 -10.947 6.897 1.00 0.00 O ATOM 0 H GLU A 46 -1.632 -8.110 2.140 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.036 -8.785 3.739 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.092 -8.924 4.381 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.264 -8.664 5.657 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.330 -10.774 4.065 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.622 -11.129 4.227 1.00 0.00 H new ATOM 627 N PRO A 47 -3.907 -6.591 5.137 1.00 0.00 N ATOM 628 CA PRO A 47 -4.101 -5.227 5.599 1.00 0.00 C ATOM 629 C PRO A 47 -2.841 -4.697 6.286 1.00 0.00 C ATOM 630 O PRO A 47 -2.505 -3.521 6.152 1.00 0.00 O ATOM 631 CB PRO A 47 -5.302 -5.293 6.529 1.00 0.00 C ATOM 632 CG PRO A 47 -5.448 -6.755 6.917 1.00 0.00 C ATOM 633 CD PRO A 47 -4.589 -7.578 5.970 1.00 0.00 C ATOM 0 HA PRO A 47 -4.285 -4.528 4.783 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -5.149 -4.669 7.409 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.201 -4.929 6.032 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.133 -6.909 7.949 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -6.491 -7.065 6.852 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.876 -8.195 6.517 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -5.198 -8.252 5.367 1.00 0.00 H new ATOM 638 N GLY A 48 -2.179 -5.589 7.007 1.00 0.00 N ATOM 639 CA GLY A 48 -0.964 -5.225 7.716 1.00 0.00 C ATOM 640 C GLY A 48 0.249 -5.273 6.784 1.00 0.00 C ATOM 641 O GLY A 48 1.390 -5.270 7.244 1.00 0.00 O ATOM 0 H GLY A 48 -2.461 -6.563 7.116 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.068 -4.223 8.133 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.810 -5.904 8.554 1.00 0.00 H new ATOM 645 N ASP A 49 -0.039 -5.315 5.491 1.00 0.00 N ATOM 646 CA ASP A 49 1.014 -5.362 4.492 1.00 0.00 C ATOM 647 C ASP A 49 1.974 -4.191 4.711 1.00 0.00 C ATOM 648 O ASP A 49 3.166 -4.300 4.430 1.00 0.00 O ATOM 649 CB ASP A 49 0.438 -5.243 3.080 1.00 0.00 C ATOM 650 CG ASP A 49 0.670 -6.460 2.181 1.00 0.00 C ATOM 651 OD1 ASP A 49 1.266 -6.351 1.099 1.00 0.00 O ATOM 652 OD2 ASP A 49 0.202 -7.572 2.639 1.00 0.00 O ATOM 0 H ASP A 49 -0.986 -5.317 5.113 1.00 0.00 H new ATOM 0 HA ASP A 49 1.531 -6.316 4.592 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.635 -5.065 3.155 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.873 -4.367 2.599 1.00 0.00 H new ATOM 657 N MET A 50 1.417 -3.098 5.212 1.00 0.00 N ATOM 658 CA MET A 50 2.208 -1.907 5.473 1.00 0.00 C ATOM 659 C MET A 50 2.422 -1.099 4.191 1.00 0.00 C ATOM 660 O MET A 50 3.541 -0.679 3.897 1.00 0.00 O ATOM 661 CB MET A 50 3.565 -2.313 6.053 1.00 0.00 C ATOM 662 CG MET A 50 4.015 -1.328 7.135 1.00 0.00 C ATOM 663 SD MET A 50 4.989 -0.023 6.404 1.00 0.00 S ATOM 664 CE MET A 50 5.812 0.602 7.860 1.00 0.00 C ATOM 0 H MET A 50 0.427 -3.012 5.444 1.00 0.00 H new ATOM 0 HA MET A 50 1.669 -1.284 6.187 1.00 0.00 H new ATOM 0 HB2 MET A 50 3.499 -3.316 6.474 1.00 0.00 H new ATOM 0 HB3 MET A 50 4.309 -2.349 5.257 1.00 0.00 H new ATOM 0 HG2 MET A 50 3.145 -0.906 7.639 1.00 0.00 H new ATOM 0 HG3 MET A 50 4.600 -1.849 7.893 1.00 0.00 H new ATOM 0 HE1 MET A 50 6.887 0.639 7.683 1.00 0.00 H new ATOM 0 HE2 MET A 50 5.446 1.604 8.083 1.00 0.00 H new ATOM 0 HE3 MET A 50 5.606 -0.055 8.705 1.00 0.00 H new ATOM 672 N LEU A 51 1.333 -0.907 3.463 1.00 0.00 N ATOM 673 CA LEU A 51 1.387 -0.157 2.219 1.00 0.00 C ATOM 674 C LEU A 51 1.228 1.334 2.520 1.00 0.00 C ATOM 675 O LEU A 51 0.137 1.885 2.390 1.00 0.00 O ATOM 676 CB LEU A 51 0.358 -0.696 1.223 1.00 0.00 C ATOM 677 CG LEU A 51 0.231 0.074 -0.093 1.00 0.00 C ATOM 678 CD1 LEU A 51 -0.766 1.228 0.041 1.00 0.00 C ATOM 679 CD2 LEU A 51 1.599 0.552 -0.583 1.00 0.00 C ATOM 0 H LEU A 51 0.407 -1.257 3.710 1.00 0.00 H new ATOM 0 HA LEU A 51 2.358 -0.284 1.740 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.612 -1.731 0.993 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.617 -0.708 1.709 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.162 -0.605 -0.850 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.838 1.759 -0.908 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.746 0.833 0.311 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.426 1.915 0.816 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.480 1.096 -1.520 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.044 1.209 0.164 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.249 -0.308 -0.743 1.00 0.00 H new ATOM 690 N LEU A 52 2.335 1.946 2.917 1.00 0.00 N ATOM 691 CA LEU A 52 2.333 3.363 3.238 1.00 0.00 C ATOM 692 C LEU A 52 3.409 4.070 2.412 1.00 0.00 C ATOM 693 O LEU A 52 3.607 5.276 2.547 1.00 0.00 O ATOM 694 CB LEU A 52 2.480 3.570 4.747 1.00 0.00 C ATOM 695 CG LEU A 52 3.910 3.729 5.266 1.00 0.00 C ATOM 696 CD1 LEU A 52 4.835 2.675 4.654 1.00 0.00 C ATOM 697 CD2 LEU A 52 4.425 5.150 5.031 1.00 0.00 C ATOM 0 H LEU A 52 3.239 1.486 3.023 1.00 0.00 H new ATOM 0 HA LEU A 52 1.378 3.814 2.969 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.912 4.456 5.029 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.022 2.722 5.256 1.00 0.00 H new ATOM 0 HG LEU A 52 3.902 3.565 6.344 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.846 2.810 5.039 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.476 1.680 4.917 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.843 2.783 3.569 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.444 5.235 5.409 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.415 5.369 3.963 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.784 5.860 5.553 1.00 0.00 H new ATOM 708 N GLN A 53 4.077 3.288 1.576 1.00 0.00 N ATOM 709 CA GLN A 53 5.128 3.825 0.728 1.00 0.00 C ATOM 710 C GLN A 53 4.950 3.338 -0.711 1.00 0.00 C ATOM 711 O GLN A 53 4.375 2.275 -0.944 1.00 0.00 O ATOM 712 CB GLN A 53 6.510 3.451 1.267 1.00 0.00 C ATOM 713 CG GLN A 53 6.544 1.993 1.728 1.00 0.00 C ATOM 714 CD GLN A 53 7.699 1.751 2.700 1.00 0.00 C ATOM 715 OE1 GLN A 53 8.522 0.868 2.521 1.00 0.00 O ATOM 716 NE2 GLN A 53 7.716 2.583 3.738 1.00 0.00 N ATOM 0 H GLN A 53 3.911 2.287 1.468 1.00 0.00 H new ATOM 0 HA GLN A 53 5.054 4.912 0.734 1.00 0.00 H new ATOM 0 HB2 GLN A 53 7.261 3.609 0.493 1.00 0.00 H new ATOM 0 HB3 GLN A 53 6.769 4.105 2.100 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.600 1.738 2.209 1.00 0.00 H new ATOM 0 HG3 GLN A 53 6.648 1.337 0.864 1.00 0.00 H new ATOM 0 HE21 GLN A 53 6.997 3.301 3.828 1.00 0.00 H new ATOM 0 HE22 GLN A 53 8.448 2.503 4.444 1.00 0.00 H new ATOM 723 N VAL A 54 5.454 4.138 -1.639 1.00 0.00 N ATOM 724 CA VAL A 54 5.358 3.801 -3.049 1.00 0.00 C ATOM 725 C VAL A 54 6.675 4.151 -3.744 1.00 0.00 C ATOM 726 O VAL A 54 7.405 5.032 -3.291 1.00 0.00 O ATOM 727 CB VAL A 54 4.149 4.501 -3.673 1.00 0.00 C ATOM 728 CG1 VAL A 54 4.269 4.549 -5.198 1.00 0.00 C ATOM 729 CG2 VAL A 54 2.843 3.826 -3.246 1.00 0.00 C ATOM 0 H VAL A 54 5.930 5.018 -1.442 1.00 0.00 H new ATOM 0 HA VAL A 54 5.198 2.730 -3.175 1.00 0.00 H new ATOM 0 HB VAL A 54 4.131 5.527 -3.306 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.397 5.052 -5.616 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.170 5.096 -5.475 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.326 3.534 -5.591 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.000 4.343 -3.703 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.849 2.785 -3.569 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.749 3.869 -2.161 1.00 0.00 H new ATOM 739 N ASN A 55 6.940 3.444 -4.833 1.00 0.00 N ATOM 740 CA ASN A 55 8.157 3.668 -5.594 1.00 0.00 C ATOM 741 C ASN A 55 9.311 3.952 -4.630 1.00 0.00 C ATOM 742 O ASN A 55 9.405 3.334 -3.570 1.00 0.00 O ATOM 743 CB ASN A 55 8.010 4.875 -6.523 1.00 0.00 C ATOM 744 CG ASN A 55 8.924 4.743 -7.743 1.00 0.00 C ATOM 745 OD1 ASN A 55 10.085 5.119 -7.725 1.00 0.00 O ATOM 746 ND2 ASN A 55 8.338 4.188 -8.800 1.00 0.00 N ATOM 0 H ASN A 55 6.332 2.715 -5.206 1.00 0.00 H new ATOM 0 HA ASN A 55 8.352 2.776 -6.189 1.00 0.00 H new ATOM 0 HB2 ASN A 55 6.974 4.964 -6.849 1.00 0.00 H new ATOM 0 HB3 ASN A 55 8.253 5.788 -5.980 1.00 0.00 H new ATOM 0 HD21 ASN A 55 8.864 4.055 -9.663 1.00 0.00 H new ATOM 0 HD22 ASN A 55 7.362 3.896 -8.747 1.00 0.00 H new ATOM 752 N ASP A 56 10.162 4.884 -5.034 1.00 0.00 N ATOM 753 CA ASP A 56 11.306 5.256 -4.219 1.00 0.00 C ATOM 754 C ASP A 56 10.843 6.171 -3.083 1.00 0.00 C ATOM 755 O ASP A 56 11.657 6.648 -2.295 1.00 0.00 O ATOM 756 CB ASP A 56 12.346 6.016 -5.045 1.00 0.00 C ATOM 757 CG ASP A 56 11.899 7.394 -5.536 1.00 0.00 C ATOM 758 OD1 ASP A 56 10.949 7.985 -5.002 1.00 0.00 O ATOM 759 OD2 ASP A 56 12.581 7.868 -6.523 1.00 0.00 O ATOM 0 H ASP A 56 10.082 5.392 -5.915 1.00 0.00 H new ATOM 0 HA ASP A 56 11.753 4.342 -3.828 1.00 0.00 H new ATOM 0 HB2 ASP A 56 13.248 6.136 -4.445 1.00 0.00 H new ATOM 0 HB3 ASP A 56 12.616 5.409 -5.909 1.00 0.00 H new ATOM 764 N VAL A 57 9.537 6.388 -3.038 1.00 0.00 N ATOM 765 CA VAL A 57 8.956 7.238 -2.011 1.00 0.00 C ATOM 766 C VAL A 57 8.733 6.416 -0.740 1.00 0.00 C ATOM 767 O VAL A 57 8.569 5.198 -0.804 1.00 0.00 O ATOM 768 CB VAL A 57 7.673 7.887 -2.535 1.00 0.00 C ATOM 769 CG1 VAL A 57 6.682 8.139 -1.397 1.00 0.00 C ATOM 770 CG2 VAL A 57 7.982 9.181 -3.290 1.00 0.00 C ATOM 0 H VAL A 57 8.865 5.991 -3.695 1.00 0.00 H new ATOM 0 HA VAL A 57 9.637 8.050 -1.757 1.00 0.00 H new ATOM 0 HB VAL A 57 7.209 7.193 -3.236 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.779 8.601 -1.796 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.426 7.192 -0.921 1.00 0.00 H new ATOM 0 HG13 VAL A 57 7.134 8.804 -0.661 1.00 0.00 H new ATOM 0 HG21 VAL A 57 7.053 9.622 -3.652 1.00 0.00 H new ATOM 0 HG22 VAL A 57 8.480 9.883 -2.621 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.633 8.962 -4.136 1.00 0.00 H new ATOM 780 N ASN A 58 8.736 7.114 0.386 1.00 0.00 N ATOM 781 CA ASN A 58 8.537 6.463 1.670 1.00 0.00 C ATOM 782 C ASN A 58 7.900 7.456 2.646 1.00 0.00 C ATOM 783 O ASN A 58 8.606 8.172 3.355 1.00 0.00 O ATOM 784 CB ASN A 58 9.868 6.002 2.266 1.00 0.00 C ATOM 785 CG ASN A 58 10.553 4.982 1.354 1.00 0.00 C ATOM 786 OD1 ASN A 58 10.056 3.894 1.113 1.00 0.00 O ATOM 787 ND2 ASN A 58 11.717 5.393 0.861 1.00 0.00 N ATOM 0 H ASN A 58 8.873 8.124 0.436 1.00 0.00 H new ATOM 0 HA ASN A 58 7.893 5.597 1.514 1.00 0.00 H new ATOM 0 HB2 ASN A 58 10.522 6.861 2.412 1.00 0.00 H new ATOM 0 HB3 ASN A 58 9.697 5.560 3.248 1.00 0.00 H new ATOM 0 HD21 ASN A 58 12.251 4.785 0.240 1.00 0.00 H new ATOM 0 HD22 ASN A 58 12.076 6.317 1.103 1.00 0.00 H new ATOM 793 N PHE A 59 6.576 7.466 2.650 1.00 0.00 N ATOM 794 CA PHE A 59 5.837 8.359 3.526 1.00 0.00 C ATOM 795 C PHE A 59 5.823 7.829 4.962 1.00 0.00 C ATOM 796 O PHE A 59 4.761 7.708 5.572 1.00 0.00 O ATOM 797 CB PHE A 59 4.401 8.415 3.001 1.00 0.00 C ATOM 798 CG PHE A 59 4.277 8.991 1.589 1.00 0.00 C ATOM 799 CD1 PHE A 59 4.926 10.141 1.264 1.00 0.00 C ATOM 800 CD2 PHE A 59 3.518 8.353 0.658 1.00 0.00 C ATOM 801 CE1 PHE A 59 4.811 10.675 -0.046 1.00 0.00 C ATOM 802 CE2 PHE A 59 3.403 8.887 -0.652 1.00 0.00 C ATOM 803 CZ PHE A 59 4.052 10.037 -0.977 1.00 0.00 C ATOM 0 H PHE A 59 5.995 6.870 2.060 1.00 0.00 H new ATOM 0 HA PHE A 59 6.305 9.344 3.534 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.982 7.409 3.010 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.799 9.017 3.682 1.00 0.00 H new ATOM 0 HD1 PHE A 59 5.529 10.648 2.003 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.003 7.440 0.916 1.00 0.00 H new ATOM 0 HE1 PHE A 59 5.326 11.588 -0.304 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.800 8.380 -1.391 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.965 10.443 -1.974 1.00 0.00 H new ATOM 812 N GLU A 60 7.012 7.528 5.459 1.00 0.00 N ATOM 813 CA GLU A 60 7.149 7.013 6.812 1.00 0.00 C ATOM 814 C GLU A 60 6.721 8.074 7.828 1.00 0.00 C ATOM 815 O GLU A 60 5.637 7.986 8.402 1.00 0.00 O ATOM 816 CB GLU A 60 8.582 6.545 7.077 1.00 0.00 C ATOM 817 CG GLU A 60 8.919 5.308 6.242 1.00 0.00 C ATOM 818 CD GLU A 60 8.925 4.047 7.110 1.00 0.00 C ATOM 819 OE1 GLU A 60 9.901 3.795 7.831 1.00 0.00 O ATOM 820 OE2 GLU A 60 7.866 3.315 7.017 1.00 0.00 O ATOM 0 H GLU A 60 7.890 7.630 4.950 1.00 0.00 H new ATOM 0 HA GLU A 60 6.494 6.149 6.921 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.280 7.348 6.841 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.704 6.317 8.136 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.191 5.198 5.438 1.00 0.00 H new ATOM 0 HG3 GLU A 60 9.895 5.436 5.773 1.00 0.00 H new ATOM 826 N ASN A 61 7.596 9.050 8.021 1.00 0.00 N ATOM 827 CA ASN A 61 7.323 10.126 8.959 1.00 0.00 C ATOM 828 C ASN A 61 5.863 10.561 8.816 1.00 0.00 C ATOM 829 O ASN A 61 5.253 11.026 9.778 1.00 0.00 O ATOM 830 CB ASN A 61 8.208 11.341 8.676 1.00 0.00 C ATOM 831 CG ASN A 61 9.186 11.586 9.826 1.00 0.00 C ATOM 832 OD1 ASN A 61 10.218 10.945 9.944 1.00 0.00 O ATOM 833 ND2 ASN A 61 8.807 12.545 10.665 1.00 0.00 N ATOM 0 H ASN A 61 8.495 9.118 7.544 1.00 0.00 H new ATOM 0 HA ASN A 61 7.527 9.758 9.964 1.00 0.00 H new ATOM 0 HB2 ASN A 61 8.762 11.185 7.750 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.585 12.223 8.530 1.00 0.00 H new ATOM 0 HD21 ASN A 61 9.393 12.783 11.466 1.00 0.00 H new ATOM 0 HD22 ASN A 61 7.931 13.043 10.508 1.00 0.00 H new ATOM 839 N MET A 62 5.343 10.395 7.609 1.00 0.00 N ATOM 840 CA MET A 62 3.966 10.765 7.328 1.00 0.00 C ATOM 841 C MET A 62 2.998 9.998 8.231 1.00 0.00 C ATOM 842 O MET A 62 2.567 10.513 9.263 1.00 0.00 O ATOM 843 CB MET A 62 3.645 10.464 5.863 1.00 0.00 C ATOM 844 CG MET A 62 3.485 11.756 5.060 1.00 0.00 C ATOM 845 SD MET A 62 1.900 11.775 4.239 1.00 0.00 S ATOM 846 CE MET A 62 2.367 11.113 2.649 1.00 0.00 C ATOM 0 H MET A 62 5.851 10.009 6.813 1.00 0.00 H new ATOM 0 HA MET A 62 3.849 11.831 7.523 1.00 0.00 H new ATOM 0 HB2 MET A 62 4.441 9.859 5.430 1.00 0.00 H new ATOM 0 HB3 MET A 62 2.728 9.877 5.801 1.00 0.00 H new ATOM 0 HG2 MET A 62 3.571 12.618 5.722 1.00 0.00 H new ATOM 0 HG3 MET A 62 4.285 11.838 4.325 1.00 0.00 H new ATOM 0 HE1 MET A 62 1.748 11.562 1.872 1.00 0.00 H new ATOM 0 HE2 MET A 62 3.415 11.340 2.454 1.00 0.00 H new ATOM 0 HE3 MET A 62 2.223 10.032 2.648 1.00 0.00 H new ATOM 854 N SER A 63 2.684 8.782 7.811 1.00 0.00 N ATOM 855 CA SER A 63 1.775 7.939 8.570 1.00 0.00 C ATOM 856 C SER A 63 0.687 8.797 9.219 1.00 0.00 C ATOM 857 O SER A 63 0.425 8.673 10.414 1.00 0.00 O ATOM 858 CB SER A 63 2.525 7.138 9.635 1.00 0.00 C ATOM 859 OG SER A 63 1.656 6.674 10.664 1.00 0.00 O ATOM 0 H SER A 63 3.043 8.360 6.955 1.00 0.00 H new ATOM 0 HA SER A 63 1.311 7.231 7.883 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.020 6.287 9.167 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.306 7.759 10.073 1.00 0.00 H new ATOM 0 HG SER A 63 1.340 7.436 11.193 1.00 0.00 H new ATOM 864 N ASN A 64 0.082 9.648 8.403 1.00 0.00 N ATOM 865 CA ASN A 64 -0.972 10.526 8.883 1.00 0.00 C ATOM 866 C ASN A 64 -2.326 9.835 8.703 1.00 0.00 C ATOM 867 O ASN A 64 -3.345 10.499 8.523 1.00 0.00 O ATOM 868 CB ASN A 64 -1.000 11.835 8.094 1.00 0.00 C ATOM 869 CG ASN A 64 -1.309 13.021 9.010 1.00 0.00 C ATOM 870 OD1 ASN A 64 -0.796 13.138 10.111 1.00 0.00 O ATOM 871 ND2 ASN A 64 -2.173 13.892 8.496 1.00 0.00 N ATOM 0 H ASN A 64 0.302 9.748 7.412 1.00 0.00 H new ATOM 0 HA ASN A 64 -0.778 10.743 9.933 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -0.038 11.990 7.605 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.752 11.773 7.307 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -2.443 14.718 9.030 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -2.565 13.734 7.568 1.00 0.00 H new ATOM 877 N ASP A 65 -2.291 8.512 8.759 1.00 0.00 N ATOM 878 CA ASP A 65 -3.503 7.725 8.604 1.00 0.00 C ATOM 879 C ASP A 65 -4.375 8.348 7.512 1.00 0.00 C ATOM 880 O ASP A 65 -5.600 8.245 7.556 1.00 0.00 O ATOM 881 CB ASP A 65 -4.314 7.702 9.900 1.00 0.00 C ATOM 882 CG ASP A 65 -5.549 6.799 9.875 1.00 0.00 C ATOM 883 OD1 ASP A 65 -5.905 6.233 8.830 1.00 0.00 O ATOM 884 OD2 ASP A 65 -6.164 6.684 11.003 1.00 0.00 O ATOM 0 H ASP A 65 -1.443 7.965 8.909 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.213 6.708 8.342 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.663 7.379 10.712 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -4.631 8.719 10.131 1.00 0.00 H new ATOM 889 N ASP A 66 -3.709 8.982 6.557 1.00 0.00 N ATOM 890 CA ASP A 66 -4.408 9.623 5.456 1.00 0.00 C ATOM 891 C ASP A 66 -3.420 9.897 4.321 1.00 0.00 C ATOM 892 O ASP A 66 -3.598 10.841 3.553 1.00 0.00 O ATOM 893 CB ASP A 66 -5.013 10.959 5.890 1.00 0.00 C ATOM 894 CG ASP A 66 -6.022 10.871 7.037 1.00 0.00 C ATOM 895 OD1 ASP A 66 -5.740 11.295 8.168 1.00 0.00 O ATOM 896 OD2 ASP A 66 -7.152 10.332 6.729 1.00 0.00 O ATOM 0 H ASP A 66 -2.693 9.065 6.523 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.206 8.956 5.129 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.205 11.627 6.188 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -5.503 11.415 5.030 1.00 0.00 H new ATOM 901 N ALA A 67 -2.400 9.054 4.251 1.00 0.00 N ATOM 902 CA ALA A 67 -1.383 9.194 3.222 1.00 0.00 C ATOM 903 C ALA A 67 -2.039 9.087 1.844 1.00 0.00 C ATOM 904 O ALA A 67 -1.434 9.446 0.835 1.00 0.00 O ATOM 905 CB ALA A 67 -0.294 8.140 3.434 1.00 0.00 C ATOM 0 H ALA A 67 -2.256 8.272 4.890 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.906 10.172 3.284 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.469 8.245 2.662 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.161 8.279 4.415 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -0.735 7.145 3.376 1.00 0.00 H new ATOM 911 N VAL A 68 -3.267 8.592 1.846 1.00 0.00 N ATOM 912 CA VAL A 68 -4.013 8.432 0.609 1.00 0.00 C ATOM 913 C VAL A 68 -4.178 9.798 -0.060 1.00 0.00 C ATOM 914 O VAL A 68 -4.043 9.917 -1.277 1.00 0.00 O ATOM 915 CB VAL A 68 -5.346 7.737 0.888 1.00 0.00 C ATOM 916 CG1 VAL A 68 -6.393 8.118 -0.161 1.00 0.00 C ATOM 917 CG2 VAL A 68 -5.170 6.218 0.957 1.00 0.00 C ATOM 0 H VAL A 68 -3.765 8.296 2.685 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.469 7.793 -0.086 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.703 8.078 1.860 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.332 7.610 0.061 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.551 9.196 -0.143 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.043 7.819 -1.149 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.133 5.749 1.156 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.779 5.854 0.007 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.472 5.968 1.757 1.00 0.00 H new ATOM 927 N ARG A 69 -4.470 10.793 0.764 1.00 0.00 N ATOM 928 CA ARG A 69 -4.657 12.146 0.267 1.00 0.00 C ATOM 929 C ARG A 69 -3.577 12.487 -0.761 1.00 0.00 C ATOM 930 O ARG A 69 -3.781 13.341 -1.622 1.00 0.00 O ATOM 931 CB ARG A 69 -4.605 13.164 1.408 1.00 0.00 C ATOM 932 CG ARG A 69 -4.680 14.595 0.870 1.00 0.00 C ATOM 933 CD ARG A 69 -5.759 15.399 1.599 1.00 0.00 C ATOM 934 NE ARG A 69 -6.905 15.642 0.695 1.00 0.00 N ATOM 935 CZ ARG A 69 -8.168 15.866 1.119 1.00 0.00 C ATOM 936 NH1 ARG A 69 -8.457 15.879 2.437 1.00 0.00 N ATOM 937 NH2 ARG A 69 -9.116 16.071 0.223 1.00 0.00 N ATOM 0 H ARG A 69 -4.582 10.690 1.773 1.00 0.00 H new ATOM 0 HA ARG A 69 -5.639 12.194 -0.203 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -5.431 12.987 2.096 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -3.684 13.033 1.976 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -3.713 15.084 0.991 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -4.896 14.575 -0.198 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -6.092 14.858 2.484 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -5.348 16.348 1.942 1.00 0.00 H new ATOM 0 HE ARG A 69 -6.731 15.640 -0.310 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -7.719 15.719 3.123 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -9.414 16.049 2.748 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -8.889 16.059 -0.771 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -10.075 16.242 0.525 1.00 0.00 H new ATOM 947 N VAL A 70 -2.449 11.801 -0.639 1.00 0.00 N ATOM 948 CA VAL A 70 -1.337 12.021 -1.547 1.00 0.00 C ATOM 949 C VAL A 70 -1.195 10.812 -2.474 1.00 0.00 C ATOM 950 O VAL A 70 -1.054 10.969 -3.686 1.00 0.00 O ATOM 951 CB VAL A 70 -0.064 12.317 -0.752 1.00 0.00 C ATOM 952 CG1 VAL A 70 1.048 11.327 -1.108 1.00 0.00 C ATOM 953 CG2 VAL A 70 0.397 13.759 -0.971 1.00 0.00 C ATOM 0 H VAL A 70 -2.282 11.092 0.076 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.523 12.892 -2.175 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.295 12.196 0.306 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.942 11.560 -0.529 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.720 10.313 -0.878 1.00 0.00 H new ATOM 0 HG13 VAL A 70 1.275 11.402 -2.171 1.00 0.00 H new ATOM 0 HG21 VAL A 70 1.304 13.943 -0.394 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.602 13.919 -2.030 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.385 14.445 -0.645 1.00 0.00 H new ATOM 963 N LEU A 71 -1.238 9.634 -1.869 1.00 0.00 N ATOM 964 CA LEU A 71 -1.116 8.400 -2.626 1.00 0.00 C ATOM 965 C LEU A 71 -2.082 8.436 -3.812 1.00 0.00 C ATOM 966 O LEU A 71 -1.726 8.040 -4.920 1.00 0.00 O ATOM 967 CB LEU A 71 -1.310 7.189 -1.711 1.00 0.00 C ATOM 968 CG LEU A 71 -0.323 6.037 -1.905 1.00 0.00 C ATOM 969 CD1 LEU A 71 0.724 6.017 -0.789 1.00 0.00 C ATOM 970 CD2 LEU A 71 -1.056 4.700 -2.026 1.00 0.00 C ATOM 0 H LEU A 71 -1.356 9.508 -0.864 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.111 8.303 -3.036 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.245 7.526 -0.676 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.319 6.805 -1.859 1.00 0.00 H new ATOM 0 HG LEU A 71 0.209 6.199 -2.843 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.413 5.188 -0.951 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.278 6.956 -0.793 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.228 5.893 0.173 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.330 3.898 -2.163 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.632 4.517 -1.119 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.729 4.730 -2.883 1.00 0.00 H new ATOM 981 N ARG A 72 -3.287 8.914 -3.538 1.00 0.00 N ATOM 982 CA ARG A 72 -4.308 9.007 -4.568 1.00 0.00 C ATOM 983 C ARG A 72 -3.853 9.954 -5.681 1.00 0.00 C ATOM 984 O ARG A 72 -4.369 9.898 -6.796 1.00 0.00 O ATOM 985 CB ARG A 72 -5.631 9.510 -3.988 1.00 0.00 C ATOM 986 CG ARG A 72 -6.776 9.313 -4.984 1.00 0.00 C ATOM 987 CD ARG A 72 -7.875 10.355 -4.769 1.00 0.00 C ATOM 988 NE ARG A 72 -7.525 11.611 -5.469 1.00 0.00 N ATOM 989 CZ ARG A 72 -8.426 12.543 -5.849 1.00 0.00 C ATOM 990 NH1 ARG A 72 -9.740 12.366 -5.600 1.00 0.00 N ATOM 991 NH2 ARG A 72 -8.002 13.628 -6.469 1.00 0.00 N ATOM 0 H ARG A 72 -3.579 9.241 -2.617 1.00 0.00 H new ATOM 0 HA ARG A 72 -4.461 8.008 -4.976 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -5.853 8.977 -3.063 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -5.543 10.566 -3.734 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -6.394 9.387 -6.002 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -7.192 8.312 -4.872 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -8.826 9.974 -5.141 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -8.003 10.546 -3.704 1.00 0.00 H new ATOM 0 HE ARG A 72 -6.542 11.784 -5.678 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -10.059 11.524 -5.122 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -10.414 13.074 -5.890 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -7.007 13.753 -6.655 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -8.669 14.341 -6.763 1.00 0.00 H new ATOM 1001 N GLU A 73 -2.893 10.799 -5.340 1.00 0.00 N ATOM 1002 CA GLU A 73 -2.363 11.756 -6.296 1.00 0.00 C ATOM 1003 C GLU A 73 -1.414 11.060 -7.274 1.00 0.00 C ATOM 1004 O GLU A 73 -1.185 11.550 -8.379 1.00 0.00 O ATOM 1005 CB GLU A 73 -1.663 12.915 -5.583 1.00 0.00 C ATOM 1006 CG GLU A 73 -0.142 12.773 -5.670 1.00 0.00 C ATOM 1007 CD GLU A 73 0.557 13.996 -5.071 1.00 0.00 C ATOM 1008 OE1 GLU A 73 1.316 13.861 -4.100 1.00 0.00 O ATOM 1009 OE2 GLU A 73 0.290 15.115 -5.653 1.00 0.00 O ATOM 0 H GLU A 73 -2.467 10.841 -4.414 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.196 12.172 -6.863 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -1.970 13.860 -6.030 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.970 12.942 -4.538 1.00 0.00 H new ATOM 0 HG2 GLU A 73 0.174 11.874 -5.141 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.157 12.652 -6.711 1.00 0.00 H new ATOM 1015 N ILE A 74 -0.886 9.928 -6.831 1.00 0.00 N ATOM 1016 CA ILE A 74 0.034 9.159 -7.652 1.00 0.00 C ATOM 1017 C ILE A 74 -0.715 8.603 -8.865 1.00 0.00 C ATOM 1018 O ILE A 74 -0.773 9.247 -9.912 1.00 0.00 O ATOM 1019 CB ILE A 74 0.731 8.085 -6.815 1.00 0.00 C ATOM 1020 CG1 ILE A 74 1.317 8.683 -5.534 1.00 0.00 C ATOM 1021 CG2 ILE A 74 1.788 7.348 -7.639 1.00 0.00 C ATOM 1022 CD1 ILE A 74 2.789 9.053 -5.726 1.00 0.00 C ATOM 0 H ILE A 74 -1.078 9.525 -5.914 1.00 0.00 H new ATOM 0 HA ILE A 74 0.830 9.799 -8.033 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.014 7.348 -6.515 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.750 9.569 -5.249 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.222 7.967 -4.717 1.00 0.00 H new ATOM 0 HG21 ILE A 74 2.268 6.590 -7.020 1.00 0.00 H new ATOM 0 HG22 ILE A 74 1.313 6.870 -8.496 1.00 0.00 H new ATOM 0 HG23 ILE A 74 2.537 8.058 -7.989 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.182 9.476 -4.801 1.00 0.00 H new ATOM 0 HD12 ILE A 74 3.357 8.160 -5.987 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.878 9.787 -6.527 1.00 0.00 H new ATOM 1033 N VAL A 75 -1.270 7.414 -8.683 1.00 0.00 N ATOM 1034 CA VAL A 75 -2.013 6.764 -9.750 1.00 0.00 C ATOM 1035 C VAL A 75 -2.806 7.816 -10.527 1.00 0.00 C ATOM 1036 O VAL A 75 -2.912 7.740 -11.751 1.00 0.00 O ATOM 1037 CB VAL A 75 -2.895 5.655 -9.173 1.00 0.00 C ATOM 1038 CG1 VAL A 75 -2.188 4.300 -9.238 1.00 0.00 C ATOM 1039 CG2 VAL A 75 -3.320 5.984 -7.740 1.00 0.00 C ATOM 0 H VAL A 75 -1.220 6.884 -7.813 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.332 6.286 -10.454 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.795 5.591 -9.784 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.838 3.530 -8.821 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.959 4.059 -10.276 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.263 4.344 -8.663 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -3.946 5.180 -7.353 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -2.435 6.089 -7.113 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -3.882 6.918 -7.733 1.00 0.00 H new ATOM 1049 N SER A 76 -3.343 8.774 -9.785 1.00 0.00 N ATOM 1050 CA SER A 76 -4.124 9.840 -10.390 1.00 0.00 C ATOM 1051 C SER A 76 -3.321 10.508 -11.506 1.00 0.00 C ATOM 1052 O SER A 76 -3.721 10.478 -12.669 1.00 0.00 O ATOM 1053 CB SER A 76 -4.544 10.875 -9.344 1.00 0.00 C ATOM 1054 OG SER A 76 -4.941 12.107 -9.943 1.00 0.00 O ATOM 0 H SER A 76 -3.253 8.834 -8.771 1.00 0.00 H new ATOM 0 HA SER A 76 -5.028 9.404 -10.814 1.00 0.00 H new ATOM 0 HB2 SER A 76 -5.368 10.478 -8.751 1.00 0.00 H new ATOM 0 HB3 SER A 76 -3.716 11.055 -8.659 1.00 0.00 H new ATOM 0 HG SER A 76 -5.203 12.741 -9.244 1.00 0.00 H new ATOM 1059 N GLN A 77 -2.199 11.097 -11.114 1.00 0.00 N ATOM 1060 CA GLN A 77 -1.336 11.772 -12.068 1.00 0.00 C ATOM 1061 C GLN A 77 0.131 11.453 -11.775 1.00 0.00 C ATOM 1062 O GLN A 77 0.500 10.287 -11.635 1.00 0.00 O ATOM 1063 CB GLN A 77 -1.580 13.282 -12.055 1.00 0.00 C ATOM 1064 CG GLN A 77 -3.066 13.599 -12.240 1.00 0.00 C ATOM 1065 CD GLN A 77 -3.263 14.750 -13.228 1.00 0.00 C ATOM 1066 OE1 GLN A 77 -3.731 15.824 -12.885 1.00 0.00 O ATOM 1067 NE2 GLN A 77 -2.883 14.467 -14.471 1.00 0.00 N ATOM 0 H GLN A 77 -1.869 11.120 -10.149 1.00 0.00 H new ATOM 0 HA GLN A 77 -1.576 11.406 -13.066 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -1.229 13.703 -11.113 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -1.002 13.754 -12.849 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -3.588 12.713 -12.600 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -3.508 13.861 -11.279 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -2.499 13.548 -14.690 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -2.976 15.169 -15.205 1.00 0.00 H new ATOM 1074 N THR A 78 0.928 12.507 -11.689 1.00 0.00 N ATOM 1075 CA THR A 78 2.346 12.353 -11.415 1.00 0.00 C ATOM 1076 C THR A 78 2.572 11.264 -10.363 1.00 0.00 C ATOM 1077 O THR A 78 1.652 10.908 -9.627 1.00 0.00 O ATOM 1078 CB THR A 78 2.900 13.719 -11.003 1.00 0.00 C ATOM 1079 OG1 THR A 78 2.165 14.051 -9.828 1.00 0.00 O ATOM 1080 CG2 THR A 78 2.533 14.824 -11.996 1.00 0.00 C ATOM 0 H THR A 78 0.618 13.472 -11.804 1.00 0.00 H new ATOM 0 HA THR A 78 2.885 12.021 -12.302 1.00 0.00 H new ATOM 0 HB THR A 78 3.985 13.658 -10.912 1.00 0.00 H new ATOM 0 HG1 THR A 78 2.462 14.922 -9.492 1.00 0.00 H new ATOM 0 HG21 THR A 78 2.950 15.772 -11.656 1.00 0.00 H new ATOM 0 HG22 THR A 78 2.938 14.580 -12.978 1.00 0.00 H new ATOM 0 HG23 THR A 78 1.448 14.908 -12.062 1.00 0.00 H new ATOM 1088 N GLY A 79 3.799 10.767 -10.326 1.00 0.00 N ATOM 1089 CA GLY A 79 4.156 9.725 -9.377 1.00 0.00 C ATOM 1090 C GLY A 79 4.160 8.350 -10.048 1.00 0.00 C ATOM 1091 O GLY A 79 3.132 7.895 -10.545 1.00 0.00 O ATOM 0 H GLY A 79 4.559 11.066 -10.937 1.00 0.00 H new ATOM 0 HA2 GLY A 79 5.141 9.932 -8.958 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.449 9.726 -8.547 1.00 0.00 H new ATOM 1095 N PRO A 80 5.360 7.711 -10.039 1.00 0.00 N ATOM 1096 CA PRO A 80 5.513 6.397 -10.640 1.00 0.00 C ATOM 1097 C PRO A 80 4.891 5.314 -9.757 1.00 0.00 C ATOM 1098 O PRO A 80 4.918 5.417 -8.531 1.00 0.00 O ATOM 1099 CB PRO A 80 7.010 6.222 -10.830 1.00 0.00 C ATOM 1100 CG PRO A 80 7.668 7.236 -9.908 1.00 0.00 C ATOM 1101 CD PRO A 80 6.600 8.220 -9.460 1.00 0.00 C ATOM 0 HA PRO A 80 4.992 6.308 -11.593 1.00 0.00 H new ATOM 0 HB2 PRO A 80 7.320 5.207 -10.579 1.00 0.00 H new ATOM 0 HB3 PRO A 80 7.295 6.395 -11.868 1.00 0.00 H new ATOM 0 HG2 PRO A 80 8.113 6.737 -9.047 1.00 0.00 H new ATOM 0 HG3 PRO A 80 8.474 7.757 -10.426 1.00 0.00 H new ATOM 0 HD2 PRO A 80 6.538 8.269 -8.373 1.00 0.00 H new ATOM 0 HD3 PRO A 80 6.817 9.228 -9.813 1.00 0.00 H new ATOM 1106 N ILE A 81 4.344 4.301 -10.413 1.00 0.00 N ATOM 1107 CA ILE A 81 3.716 3.200 -9.702 1.00 0.00 C ATOM 1108 C ILE A 81 4.796 2.242 -9.200 1.00 0.00 C ATOM 1109 O ILE A 81 5.819 2.053 -9.857 1.00 0.00 O ATOM 1110 CB ILE A 81 2.657 2.529 -10.580 1.00 0.00 C ATOM 1111 CG1 ILE A 81 1.282 3.160 -10.359 1.00 0.00 C ATOM 1112 CG2 ILE A 81 2.638 1.016 -10.356 1.00 0.00 C ATOM 1113 CD1 ILE A 81 0.340 2.845 -11.523 1.00 0.00 C ATOM 0 H ILE A 81 4.323 4.220 -11.430 1.00 0.00 H new ATOM 0 HA ILE A 81 3.183 3.567 -8.825 1.00 0.00 H new ATOM 0 HB ILE A 81 2.922 2.696 -11.624 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.853 2.788 -9.429 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.386 4.240 -10.253 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.877 0.564 -10.992 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.614 0.599 -10.605 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.410 0.806 -9.311 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.631 3.306 -11.340 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.760 3.239 -12.448 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.219 1.765 -11.611 1.00 0.00 H new ATOM 1124 N SER A 82 4.533 1.659 -8.038 1.00 0.00 N ATOM 1125 CA SER A 82 5.470 0.724 -7.440 1.00 0.00 C ATOM 1126 C SER A 82 5.269 0.678 -5.924 1.00 0.00 C ATOM 1127 O SER A 82 6.234 0.735 -5.165 1.00 0.00 O ATOM 1128 CB SER A 82 6.915 1.104 -7.773 1.00 0.00 C ATOM 1129 OG SER A 82 7.398 0.411 -8.921 1.00 0.00 O ATOM 0 H SER A 82 3.684 1.817 -7.496 1.00 0.00 H new ATOM 0 HA SER A 82 5.278 -0.265 -7.855 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.977 2.178 -7.945 1.00 0.00 H new ATOM 0 HB3 SER A 82 7.555 0.881 -6.919 1.00 0.00 H new ATOM 0 HG SER A 82 7.156 0.909 -9.730 1.00 0.00 H new ATOM 1134 N LEU A 83 4.008 0.577 -5.530 1.00 0.00 N ATOM 1135 CA LEU A 83 3.668 0.523 -4.118 1.00 0.00 C ATOM 1136 C LEU A 83 4.792 -0.178 -3.353 1.00 0.00 C ATOM 1137 O LEU A 83 5.417 -1.102 -3.871 1.00 0.00 O ATOM 1138 CB LEU A 83 2.295 -0.123 -3.923 1.00 0.00 C ATOM 1139 CG LEU A 83 1.265 0.143 -5.022 1.00 0.00 C ATOM 1140 CD1 LEU A 83 1.407 -0.866 -6.164 1.00 0.00 C ATOM 1141 CD2 LEU A 83 -0.154 0.166 -4.451 1.00 0.00 C ATOM 0 H LEU A 83 3.210 0.531 -6.163 1.00 0.00 H new ATOM 0 HA LEU A 83 3.583 1.529 -3.708 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.432 -1.201 -3.835 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.884 0.225 -2.975 1.00 0.00 H new ATOM 0 HG LEU A 83 1.460 1.131 -5.439 1.00 0.00 H new ATOM 0 HD11 LEU A 83 0.663 -0.654 -6.932 1.00 0.00 H new ATOM 0 HD12 LEU A 83 2.405 -0.789 -6.595 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.254 -1.874 -5.780 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.866 0.357 -5.254 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.376 -0.796 -3.990 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.232 0.954 -3.702 1.00 0.00 H new ATOM 1152 N THR A 84 5.015 0.289 -2.134 1.00 0.00 N ATOM 1153 CA THR A 84 6.053 -0.281 -1.292 1.00 0.00 C ATOM 1154 C THR A 84 5.538 -0.469 0.137 1.00 0.00 C ATOM 1155 O THR A 84 4.712 0.309 0.609 1.00 0.00 O ATOM 1156 CB THR A 84 7.284 0.623 -1.380 1.00 0.00 C ATOM 1157 OG1 THR A 84 7.699 0.513 -2.739 1.00 0.00 O ATOM 1158 CG2 THR A 84 8.470 0.078 -0.583 1.00 0.00 C ATOM 0 H THR A 84 4.494 1.056 -1.709 1.00 0.00 H new ATOM 0 HA THR A 84 6.338 -1.276 -1.635 1.00 0.00 H new ATOM 0 HB THR A 84 7.029 1.618 -1.016 1.00 0.00 H new ATOM 0 HG1 THR A 84 8.492 1.070 -2.885 1.00 0.00 H new ATOM 0 HG21 THR A 84 9.317 0.758 -0.680 1.00 0.00 H new ATOM 0 HG22 THR A 84 8.193 -0.009 0.468 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.747 -0.903 -0.968 1.00 0.00 H new ATOM 1166 N VAL A 85 6.049 -1.507 0.783 1.00 0.00 N ATOM 1167 CA VAL A 85 5.651 -1.807 2.148 1.00 0.00 C ATOM 1168 C VAL A 85 6.868 -2.300 2.933 1.00 0.00 C ATOM 1169 O VAL A 85 7.824 -2.809 2.348 1.00 0.00 O ATOM 1170 CB VAL A 85 4.494 -2.808 2.148 1.00 0.00 C ATOM 1171 CG1 VAL A 85 3.560 -2.566 0.961 1.00 0.00 C ATOM 1172 CG2 VAL A 85 5.014 -4.247 2.152 1.00 0.00 C ATOM 0 H VAL A 85 6.734 -2.150 0.387 1.00 0.00 H new ATOM 0 HA VAL A 85 5.286 -0.908 2.645 1.00 0.00 H new ATOM 0 HB VAL A 85 3.920 -2.657 3.062 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.746 -3.291 0.985 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.150 -1.558 1.020 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.118 -2.677 0.031 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.171 -4.938 2.152 1.00 0.00 H new ATOM 0 HG22 VAL A 85 5.622 -4.416 1.264 1.00 0.00 H new ATOM 0 HG23 VAL A 85 5.619 -4.413 3.043 1.00 0.00 H new ATOM 1182 N ALA A 86 6.794 -2.133 4.244 1.00 0.00 N ATOM 1183 CA ALA A 86 7.878 -2.554 5.116 1.00 0.00 C ATOM 1184 C ALA A 86 7.619 -3.986 5.587 1.00 0.00 C ATOM 1185 O ALA A 86 7.963 -4.344 6.714 1.00 0.00 O ATOM 1186 CB ALA A 86 8.010 -1.571 6.280 1.00 0.00 C ATOM 0 H ALA A 86 5.999 -1.711 4.725 1.00 0.00 H new ATOM 0 HA ALA A 86 8.827 -2.550 4.579 1.00 0.00 H new ATOM 0 HB1 ALA A 86 8.823 -1.888 6.933 1.00 0.00 H new ATOM 0 HB2 ALA A 86 8.223 -0.575 5.892 1.00 0.00 H new ATOM 0 HB3 ALA A 86 7.078 -1.549 6.845 1.00 0.00 H new