USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 526 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 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 130:sc= -0.898 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 38:sc= 0.276 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -160:sc= -0.0922 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.432 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.167 USER MOD Single : A 57 SER OG : rot 94:sc= 0.00223 USER MOD Single : A 61 THR OG1 : rot 170:sc= 0.141 USER MOD Single : A 62 ASN : amide:sc= -0.106 X(o=-0.11,f=-0.59) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0.11) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HE2:sc= -3.37! C(o=-3.4!,f=-5.7!) USER MOD Single : A 82 SER OG : rot 180:sc= -0.0114 USER MOD ----------------------------------------------------------------- ATOM 135 N LYS A 13 -16.192 -7.493 -6.158 1.00 0.44 N ATOM 136 CA LYS A 13 -14.840 -7.205 -5.583 1.00 0.36 C ATOM 137 C LYS A 13 -13.772 -8.001 -6.346 1.00 0.33 C ATOM 138 O LYS A 13 -14.044 -9.048 -6.908 1.00 0.48 O ATOM 139 CB LYS A 13 -14.808 -7.608 -4.105 1.00 0.39 C ATOM 140 CG LYS A 13 -15.915 -6.877 -3.341 1.00 0.50 C ATOM 141 CD LYS A 13 -15.881 -7.298 -1.868 1.00 0.61 C ATOM 142 CE LYS A 13 -15.435 -6.115 -1.003 1.00 1.02 C ATOM 143 NZ LYS A 13 -14.505 -6.590 0.064 1.00 1.52 N ATOM 0 HA LYS A 13 -14.636 -6.138 -5.674 1.00 0.36 H new ATOM 0 HB2 LYS A 13 -14.940 -8.686 -4.010 1.00 0.39 H new ATOM 0 HB3 LYS A 13 -13.836 -7.366 -3.674 1.00 0.39 H new ATOM 0 HG2 LYS A 13 -15.779 -5.799 -3.426 1.00 0.50 H new ATOM 0 HG3 LYS A 13 -16.887 -7.111 -3.775 1.00 0.50 H new ATOM 0 HD2 LYS A 13 -16.868 -7.639 -1.554 1.00 0.61 H new ATOM 0 HD3 LYS A 13 -15.197 -8.136 -1.735 1.00 0.61 H new ATOM 0 HE2 LYS A 13 -14.941 -5.366 -1.622 1.00 1.02 H new ATOM 0 HE3 LYS A 13 -16.304 -5.634 -0.553 1.00 1.02 H new ATOM 0 HZ1 LYS A 13 -14.206 -5.783 0.648 1.00 1.52 H new ATOM 0 HZ2 LYS A 13 -14.991 -7.289 0.662 1.00 1.52 H new ATOM 0 HZ3 LYS A 13 -13.670 -7.029 -0.374 1.00 1.52 H new ATOM 157 N VAL A 14 -12.556 -7.509 -6.355 1.00 0.28 N ATOM 158 CA VAL A 14 -11.448 -8.220 -7.065 1.00 0.28 C ATOM 159 C VAL A 14 -10.437 -8.745 -6.035 1.00 0.27 C ATOM 160 O VAL A 14 -9.887 -7.992 -5.251 1.00 0.30 O ATOM 161 CB VAL A 14 -10.747 -7.265 -8.046 1.00 0.30 C ATOM 162 CG1 VAL A 14 -11.612 -7.091 -9.298 1.00 0.34 C ATOM 163 CG2 VAL A 14 -10.530 -5.895 -7.391 1.00 0.36 C ATOM 0 H VAL A 14 -12.283 -6.639 -5.897 1.00 0.28 H new ATOM 0 HA VAL A 14 -11.862 -9.057 -7.628 1.00 0.28 H new ATOM 0 HB VAL A 14 -9.780 -7.689 -8.318 1.00 0.30 H new ATOM 0 HG11 VAL A 14 -11.115 -6.414 -9.993 1.00 0.34 H new ATOM 0 HG12 VAL A 14 -11.758 -8.059 -9.777 1.00 0.34 H new ATOM 0 HG13 VAL A 14 -12.580 -6.676 -9.017 1.00 0.34 H new ATOM 0 HG21 VAL A 14 -10.033 -5.229 -8.096 1.00 0.36 H new ATOM 0 HG22 VAL A 14 -11.493 -5.470 -7.108 1.00 0.36 H new ATOM 0 HG23 VAL A 14 -9.909 -6.011 -6.502 1.00 0.36 H new ATOM 173 N THR A 15 -10.198 -10.036 -6.034 1.00 0.30 N ATOM 174 CA THR A 15 -9.230 -10.631 -5.059 1.00 0.31 C ATOM 175 C THR A 15 -7.904 -10.932 -5.770 1.00 0.29 C ATOM 176 O THR A 15 -7.885 -11.465 -6.866 1.00 0.37 O ATOM 177 CB THR A 15 -9.815 -11.928 -4.480 1.00 0.37 C ATOM 178 OG1 THR A 15 -11.063 -11.648 -3.857 1.00 0.42 O ATOM 179 CG2 THR A 15 -8.853 -12.516 -3.445 1.00 0.47 C ATOM 0 H THR A 15 -10.634 -10.705 -6.669 1.00 0.30 H new ATOM 0 HA THR A 15 -9.051 -9.924 -4.249 1.00 0.31 H new ATOM 0 HB THR A 15 -9.960 -12.647 -5.287 1.00 0.37 H new ATOM 0 HG1 THR A 15 -11.438 -12.475 -3.489 1.00 0.42 H new ATOM 0 HG21 THR A 15 -9.274 -13.436 -3.038 1.00 0.47 H new ATOM 0 HG22 THR A 15 -7.896 -12.734 -3.920 1.00 0.47 H new ATOM 0 HG23 THR A 15 -8.703 -11.798 -2.639 1.00 0.47 H new ATOM 187 N PHE A 16 -6.797 -10.590 -5.152 1.00 0.32 N ATOM 188 CA PHE A 16 -5.463 -10.848 -5.780 1.00 0.32 C ATOM 189 C PHE A 16 -4.651 -11.808 -4.903 1.00 0.33 C ATOM 190 O PHE A 16 -4.526 -11.616 -3.705 1.00 0.43 O ATOM 191 CB PHE A 16 -4.689 -9.532 -5.924 1.00 0.34 C ATOM 192 CG PHE A 16 -5.560 -8.479 -6.574 1.00 0.33 C ATOM 193 CD1 PHE A 16 -5.691 -8.442 -7.968 1.00 0.46 C ATOM 194 CD2 PHE A 16 -6.234 -7.540 -5.784 1.00 0.48 C ATOM 195 CE1 PHE A 16 -6.495 -7.467 -8.570 1.00 0.52 C ATOM 196 CE2 PHE A 16 -7.037 -6.564 -6.387 1.00 0.53 C ATOM 197 CZ PHE A 16 -7.167 -6.529 -7.779 1.00 0.47 C ATOM 0 H PHE A 16 -6.761 -10.142 -4.236 1.00 0.32 H new ATOM 0 HA PHE A 16 -5.620 -11.291 -6.764 1.00 0.32 H new ATOM 0 HB2 PHE A 16 -4.360 -9.187 -4.944 1.00 0.34 H new ATOM 0 HB3 PHE A 16 -3.793 -9.693 -6.523 1.00 0.34 H new ATOM 0 HD1 PHE A 16 -5.172 -9.166 -8.579 1.00 0.46 H new ATOM 0 HD2 PHE A 16 -6.135 -7.568 -4.709 1.00 0.48 H new ATOM 0 HE1 PHE A 16 -6.597 -7.439 -9.645 1.00 0.52 H new ATOM 0 HE2 PHE A 16 -7.556 -5.839 -5.777 1.00 0.53 H new ATOM 0 HZ PHE A 16 -7.787 -5.777 -8.244 1.00 0.47 H new ATOM 207 N LYS A 17 -4.088 -12.828 -5.501 1.00 0.35 N ATOM 208 CA LYS A 17 -3.263 -13.807 -4.729 1.00 0.38 C ATOM 209 C LYS A 17 -1.780 -13.542 -5.024 1.00 0.36 C ATOM 210 O LYS A 17 -1.259 -13.940 -6.052 1.00 0.41 O ATOM 211 CB LYS A 17 -3.634 -15.236 -5.144 1.00 0.45 C ATOM 212 CG LYS A 17 -2.979 -16.241 -4.188 1.00 0.63 C ATOM 213 CD LYS A 17 -1.642 -16.710 -4.773 1.00 0.91 C ATOM 214 CE LYS A 17 -1.466 -18.214 -4.526 1.00 0.89 C ATOM 215 NZ LYS A 17 -1.333 -18.925 -5.833 1.00 1.02 N ATOM 0 H LYS A 17 -4.165 -13.026 -6.499 1.00 0.35 H new ATOM 0 HA LYS A 17 -3.451 -13.693 -3.661 1.00 0.38 H new ATOM 0 HB2 LYS A 17 -4.717 -15.359 -5.130 1.00 0.45 H new ATOM 0 HB3 LYS A 17 -3.305 -15.425 -6.166 1.00 0.45 H new ATOM 0 HG2 LYS A 17 -2.819 -15.780 -3.213 1.00 0.63 H new ATOM 0 HG3 LYS A 17 -3.639 -17.094 -4.033 1.00 0.63 H new ATOM 0 HD2 LYS A 17 -1.609 -16.501 -5.842 1.00 0.91 H new ATOM 0 HD3 LYS A 17 -0.821 -16.158 -4.315 1.00 0.91 H new ATOM 0 HE2 LYS A 17 -0.582 -18.391 -3.913 1.00 0.89 H new ATOM 0 HE3 LYS A 17 -2.321 -18.604 -3.974 1.00 0.89 H new ATOM 0 HZ1 LYS A 17 -1.214 -19.944 -5.663 1.00 1.02 H new ATOM 0 HZ2 LYS A 17 -2.188 -18.767 -6.403 1.00 1.02 H new ATOM 0 HZ3 LYS A 17 -0.504 -18.560 -6.344 1.00 1.02 H new ATOM 229 N ILE A 18 -1.104 -12.863 -4.128 1.00 0.35 N ATOM 230 CA ILE A 18 0.345 -12.554 -4.341 1.00 0.35 C ATOM 231 C ILE A 18 1.206 -13.612 -3.640 1.00 0.35 C ATOM 232 O ILE A 18 0.876 -14.078 -2.566 1.00 0.49 O ATOM 233 CB ILE A 18 0.666 -11.166 -3.765 1.00 0.37 C ATOM 234 CG1 ILE A 18 -0.306 -10.128 -4.343 1.00 0.41 C ATOM 235 CG2 ILE A 18 2.099 -10.777 -4.133 1.00 0.49 C ATOM 236 CD1 ILE A 18 -1.314 -9.711 -3.269 1.00 0.48 C ATOM 0 H ILE A 18 -1.495 -12.508 -3.255 1.00 0.35 H new ATOM 0 HA ILE A 18 0.562 -12.562 -5.409 1.00 0.35 H new ATOM 0 HB ILE A 18 0.563 -11.196 -2.680 1.00 0.37 H new ATOM 0 HG12 ILE A 18 0.245 -9.256 -4.696 1.00 0.41 H new ATOM 0 HG13 ILE A 18 -0.829 -10.545 -5.204 1.00 0.41 H new ATOM 0 HG21 ILE A 18 2.325 -9.792 -3.724 1.00 0.49 H new ATOM 0 HG22 ILE A 18 2.792 -11.510 -3.720 1.00 0.49 H new ATOM 0 HG23 ILE A 18 2.202 -10.751 -5.218 1.00 0.49 H new ATOM 0 HD11 ILE A 18 -2.002 -8.974 -3.683 1.00 0.48 H new ATOM 0 HD12 ILE A 18 -1.874 -10.585 -2.937 1.00 0.48 H new ATOM 0 HD13 ILE A 18 -0.784 -9.277 -2.421 1.00 0.48 H new ATOM 248 N THR A 19 2.307 -13.992 -4.245 1.00 0.37 N ATOM 249 CA THR A 19 3.203 -15.020 -3.626 1.00 0.39 C ATOM 250 C THR A 19 4.567 -14.390 -3.313 1.00 0.39 C ATOM 251 O THR A 19 5.139 -13.688 -4.128 1.00 0.58 O ATOM 252 CB THR A 19 3.387 -16.202 -4.590 1.00 0.46 C ATOM 253 OG1 THR A 19 3.765 -15.722 -5.874 1.00 0.53 O ATOM 254 CG2 THR A 19 2.075 -16.983 -4.703 1.00 0.57 C ATOM 0 H THR A 19 2.624 -13.632 -5.145 1.00 0.37 H new ATOM 0 HA THR A 19 2.750 -15.381 -2.703 1.00 0.39 H new ATOM 0 HB THR A 19 4.168 -16.858 -4.206 1.00 0.46 H new ATOM 0 HG1 THR A 19 4.553 -16.212 -6.187 1.00 0.53 H new ATOM 0 HG21 THR A 19 2.208 -17.821 -5.387 1.00 0.57 H new ATOM 0 HG22 THR A 19 1.789 -17.359 -3.720 1.00 0.57 H new ATOM 0 HG23 THR A 19 1.292 -16.326 -5.082 1.00 0.57 H new ATOM 407 N LYS A 29 -0.138 -14.912 -0.111 1.00 0.36 N ATOM 408 CA LYS A 29 -1.148 -14.115 0.654 1.00 0.42 C ATOM 409 C LYS A 29 -2.302 -13.718 -0.276 1.00 0.39 C ATOM 410 O LYS A 29 -2.090 -13.214 -1.366 1.00 0.45 O ATOM 411 CB LYS A 29 -0.482 -12.853 1.209 1.00 0.55 C ATOM 412 CG LYS A 29 -1.254 -12.360 2.435 1.00 0.84 C ATOM 413 CD LYS A 29 -0.667 -12.998 3.696 1.00 0.92 C ATOM 414 CE LYS A 29 -1.795 -13.316 4.681 1.00 1.24 C ATOM 415 NZ LYS A 29 -1.218 -13.851 5.946 1.00 1.52 N ATOM 0 HA LYS A 29 -1.538 -14.715 1.476 1.00 0.42 H new ATOM 0 HB2 LYS A 29 0.552 -13.065 1.479 1.00 0.55 H new ATOM 0 HB3 LYS A 29 -0.459 -12.076 0.445 1.00 0.55 H new ATOM 0 HG2 LYS A 29 -1.195 -11.274 2.503 1.00 0.84 H new ATOM 0 HG3 LYS A 29 -2.309 -12.617 2.342 1.00 0.84 H new ATOM 0 HD2 LYS A 29 -0.128 -13.909 3.438 1.00 0.92 H new ATOM 0 HD3 LYS A 29 0.053 -12.322 4.157 1.00 0.92 H new ATOM 0 HE2 LYS A 29 -2.376 -12.417 4.886 1.00 1.24 H new ATOM 0 HE3 LYS A 29 -2.478 -14.045 4.244 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 -1.986 -14.066 6.614 1.00 1.52 H new ATOM 0 HZ2 LYS A 29 -0.682 -14.719 5.743 1.00 1.52 H new ATOM 0 HZ3 LYS A 29 -0.583 -13.142 6.365 1.00 1.52 H new ATOM 429 N VAL A 30 -3.523 -13.941 0.153 1.00 0.40 N ATOM 430 CA VAL A 30 -4.707 -13.581 -0.690 1.00 0.41 C ATOM 431 C VAL A 30 -5.341 -12.295 -0.148 1.00 0.37 C ATOM 432 O VAL A 30 -5.722 -12.219 1.007 1.00 0.52 O ATOM 433 CB VAL A 30 -5.732 -14.724 -0.649 1.00 0.52 C ATOM 434 CG1 VAL A 30 -6.872 -14.436 -1.633 1.00 0.61 C ATOM 435 CG2 VAL A 30 -5.049 -16.041 -1.037 1.00 0.71 C ATOM 0 H VAL A 30 -3.750 -14.359 1.055 1.00 0.40 H new ATOM 0 HA VAL A 30 -4.390 -13.422 -1.721 1.00 0.41 H new ATOM 0 HB VAL A 30 -6.136 -14.804 0.360 1.00 0.52 H new ATOM 0 HG11 VAL A 30 -7.596 -15.250 -1.600 1.00 0.61 H new ATOM 0 HG12 VAL A 30 -7.363 -13.502 -1.358 1.00 0.61 H new ATOM 0 HG13 VAL A 30 -6.469 -14.350 -2.642 1.00 0.61 H new ATOM 0 HG21 VAL A 30 -5.778 -16.851 -1.007 1.00 0.71 H new ATOM 0 HG22 VAL A 30 -4.641 -15.956 -2.044 1.00 0.71 H new ATOM 0 HG23 VAL A 30 -4.242 -16.253 -0.335 1.00 0.71 H new ATOM 445 N LEU A 31 -5.452 -11.281 -0.978 1.00 0.32 N ATOM 446 CA LEU A 31 -6.057 -9.989 -0.527 1.00 0.33 C ATOM 447 C LEU A 31 -7.362 -9.735 -1.292 1.00 0.33 C ATOM 448 O LEU A 31 -7.360 -9.555 -2.497 1.00 0.38 O ATOM 449 CB LEU A 31 -5.072 -8.845 -0.794 1.00 0.40 C ATOM 450 CG LEU A 31 -4.587 -8.256 0.534 1.00 0.71 C ATOM 451 CD1 LEU A 31 -3.063 -8.111 0.500 1.00 1.02 C ATOM 452 CD2 LEU A 31 -5.226 -6.879 0.747 1.00 1.16 C ATOM 0 H LEU A 31 -5.148 -11.296 -1.951 1.00 0.32 H new ATOM 0 HA LEU A 31 -6.272 -10.042 0.540 1.00 0.33 H new ATOM 0 HB2 LEU A 31 -4.223 -9.211 -1.371 1.00 0.40 H new ATOM 0 HB3 LEU A 31 -5.553 -8.071 -1.391 1.00 0.40 H new ATOM 0 HG LEU A 31 -4.872 -8.919 1.351 1.00 0.71 H new ATOM 0 HD11 LEU A 31 -2.716 -7.692 1.445 1.00 1.02 H new ATOM 0 HD12 LEU A 31 -2.608 -9.090 0.348 1.00 1.02 H new ATOM 0 HD13 LEU A 31 -2.779 -7.448 -0.317 1.00 1.02 H new ATOM 0 HD21 LEU A 31 -4.881 -6.460 1.692 1.00 1.16 H new ATOM 0 HD22 LEU A 31 -4.941 -6.216 -0.070 1.00 1.16 H new ATOM 0 HD23 LEU A 31 -6.311 -6.981 0.770 1.00 1.16 H new ATOM 464 N SER A 32 -8.474 -9.716 -0.593 1.00 0.35 N ATOM 465 CA SER A 32 -9.791 -9.473 -1.261 1.00 0.38 C ATOM 466 C SER A 32 -10.220 -8.018 -1.031 1.00 0.38 C ATOM 467 O SER A 32 -10.438 -7.594 0.091 1.00 0.48 O ATOM 468 CB SER A 32 -10.849 -10.425 -0.688 1.00 0.48 C ATOM 469 OG SER A 32 -10.839 -10.358 0.735 1.00 0.56 O ATOM 0 H SER A 32 -8.524 -9.859 0.416 1.00 0.35 H new ATOM 0 HA SER A 32 -9.693 -9.656 -2.331 1.00 0.38 H new ATOM 0 HB2 SER A 32 -11.835 -10.157 -1.067 1.00 0.48 H new ATOM 0 HB3 SER A 32 -10.648 -11.445 -1.015 1.00 0.48 H new ATOM 0 HG SER A 32 -10.687 -9.432 1.018 1.00 0.56 H new ATOM 475 N VAL A 33 -10.341 -7.254 -2.091 1.00 0.33 N ATOM 476 CA VAL A 33 -10.755 -5.819 -1.956 1.00 0.37 C ATOM 477 C VAL A 33 -11.680 -5.441 -3.122 1.00 0.34 C ATOM 478 O VAL A 33 -11.676 -6.095 -4.145 1.00 0.32 O ATOM 479 CB VAL A 33 -9.511 -4.912 -1.977 1.00 0.40 C ATOM 480 CG1 VAL A 33 -8.714 -5.096 -0.683 1.00 0.57 C ATOM 481 CG2 VAL A 33 -8.626 -5.269 -3.178 1.00 0.44 C ATOM 0 H VAL A 33 -10.170 -7.563 -3.048 1.00 0.33 H new ATOM 0 HA VAL A 33 -11.282 -5.686 -1.011 1.00 0.37 H new ATOM 0 HB VAL A 33 -9.830 -3.873 -2.061 1.00 0.40 H new ATOM 0 HG11 VAL A 33 -7.835 -4.452 -0.703 1.00 0.57 H new ATOM 0 HG12 VAL A 33 -9.339 -4.831 0.170 1.00 0.57 H new ATOM 0 HG13 VAL A 33 -8.400 -6.136 -0.594 1.00 0.57 H new ATOM 0 HG21 VAL A 33 -7.748 -4.624 -3.187 1.00 0.44 H new ATOM 0 HG22 VAL A 33 -8.311 -6.310 -3.101 1.00 0.44 H new ATOM 0 HG23 VAL A 33 -9.190 -5.128 -4.100 1.00 0.44 H new ATOM 491 N PRO A 34 -12.443 -4.386 -2.934 1.00 0.36 N ATOM 492 CA PRO A 34 -13.378 -3.892 -3.964 1.00 0.36 C ATOM 493 C PRO A 34 -12.615 -3.156 -5.076 1.00 0.34 C ATOM 494 O PRO A 34 -11.486 -2.729 -4.891 1.00 0.34 O ATOM 495 CB PRO A 34 -14.295 -2.937 -3.194 1.00 0.44 C ATOM 496 CG PRO A 34 -13.514 -2.507 -1.931 1.00 0.47 C ATOM 497 CD PRO A 34 -12.441 -3.586 -1.688 1.00 0.44 C ATOM 0 HA PRO A 34 -13.930 -4.690 -4.460 1.00 0.36 H new ATOM 0 HB2 PRO A 34 -14.555 -2.072 -3.804 1.00 0.44 H new ATOM 0 HB3 PRO A 34 -15.230 -3.429 -2.924 1.00 0.44 H new ATOM 0 HG2 PRO A 34 -13.055 -1.529 -2.074 1.00 0.47 H new ATOM 0 HG3 PRO A 34 -14.181 -2.424 -1.073 1.00 0.47 H new ATOM 0 HD2 PRO A 34 -11.464 -3.141 -1.502 1.00 0.44 H new ATOM 0 HD3 PRO A 34 -12.682 -4.200 -0.820 1.00 0.44 H new ATOM 505 N GLU A 35 -13.228 -3.008 -6.228 1.00 0.35 N ATOM 506 CA GLU A 35 -12.556 -2.305 -7.370 1.00 0.36 C ATOM 507 C GLU A 35 -12.203 -0.865 -6.970 1.00 0.37 C ATOM 508 O GLU A 35 -11.238 -0.303 -7.460 1.00 0.45 O ATOM 509 CB GLU A 35 -13.494 -2.284 -8.581 1.00 0.41 C ATOM 510 CG GLU A 35 -13.343 -3.591 -9.370 1.00 0.41 C ATOM 511 CD GLU A 35 -14.458 -4.566 -8.977 1.00 0.45 C ATOM 512 OE1 GLU A 35 -15.502 -4.528 -9.608 1.00 0.71 O ATOM 513 OE2 GLU A 35 -14.250 -5.335 -8.052 1.00 0.50 O ATOM 0 H GLU A 35 -14.170 -3.346 -6.427 1.00 0.35 H new ATOM 0 HA GLU A 35 -11.640 -2.838 -7.625 1.00 0.36 H new ATOM 0 HB2 GLU A 35 -14.526 -2.163 -8.252 1.00 0.41 H new ATOM 0 HB3 GLU A 35 -13.261 -1.432 -9.220 1.00 0.41 H new ATOM 0 HG2 GLU A 35 -13.386 -3.388 -10.440 1.00 0.41 H new ATOM 0 HG3 GLU A 35 -12.369 -4.038 -9.169 1.00 0.41 H new ATOM 520 N SER A 36 -12.971 -0.268 -6.083 1.00 0.38 N ATOM 521 CA SER A 36 -12.684 1.135 -5.640 1.00 0.42 C ATOM 522 C SER A 36 -11.300 1.200 -4.977 1.00 0.40 C ATOM 523 O SER A 36 -10.562 2.148 -5.171 1.00 0.46 O ATOM 524 CB SER A 36 -13.749 1.583 -4.636 1.00 0.47 C ATOM 525 OG SER A 36 -14.555 2.593 -5.227 1.00 0.94 O ATOM 0 H SER A 36 -13.787 -0.696 -5.646 1.00 0.38 H new ATOM 0 HA SER A 36 -12.699 1.794 -6.508 1.00 0.42 H new ATOM 0 HB2 SER A 36 -14.367 0.735 -4.341 1.00 0.47 H new ATOM 0 HB3 SER A 36 -13.275 1.963 -3.731 1.00 0.47 H new ATOM 0 HG SER A 36 -15.239 2.881 -4.588 1.00 0.94 H new ATOM 531 N THR A 37 -10.947 0.197 -4.200 1.00 0.38 N ATOM 532 CA THR A 37 -9.609 0.194 -3.524 1.00 0.38 C ATOM 533 C THR A 37 -8.504 0.165 -4.594 1.00 0.36 C ATOM 534 O THR A 37 -8.512 -0.687 -5.461 1.00 0.37 O ATOM 535 CB THR A 37 -9.495 -1.044 -2.618 1.00 0.40 C ATOM 536 OG1 THR A 37 -10.393 -0.915 -1.519 1.00 0.51 O ATOM 537 CG2 THR A 37 -8.065 -1.176 -2.086 1.00 0.51 C ATOM 0 H THR A 37 -11.529 -0.618 -4.007 1.00 0.38 H new ATOM 0 HA THR A 37 -9.500 1.091 -2.915 1.00 0.38 H new ATOM 0 HB THR A 37 -9.747 -1.931 -3.199 1.00 0.40 H new ATOM 0 HG1 THR A 37 -10.112 -1.512 -0.795 1.00 0.51 H new ATOM 0 HG21 THR A 37 -7.995 -2.055 -1.446 1.00 0.51 H new ATOM 0 HG22 THR A 37 -7.374 -1.280 -2.922 1.00 0.51 H new ATOM 0 HG23 THR A 37 -7.807 -0.287 -1.511 1.00 0.51 H new ATOM 545 N PRO A 38 -7.591 1.110 -4.503 1.00 0.39 N ATOM 546 CA PRO A 38 -6.468 1.233 -5.456 1.00 0.41 C ATOM 547 C PRO A 38 -5.359 0.215 -5.148 1.00 0.37 C ATOM 548 O PRO A 38 -5.275 -0.321 -4.054 1.00 0.38 O ATOM 549 CB PRO A 38 -5.965 2.663 -5.233 1.00 0.50 C ATOM 550 CG PRO A 38 -6.426 3.072 -3.814 1.00 0.52 C ATOM 551 CD PRO A 38 -7.595 2.141 -3.443 1.00 0.46 C ATOM 0 HA PRO A 38 -6.769 1.038 -6.485 1.00 0.41 H new ATOM 0 HB2 PRO A 38 -4.879 2.710 -5.317 1.00 0.50 H new ATOM 0 HB3 PRO A 38 -6.373 3.340 -5.984 1.00 0.50 H new ATOM 0 HG2 PRO A 38 -5.610 2.973 -3.098 1.00 0.52 H new ATOM 0 HG3 PRO A 38 -6.741 4.115 -3.795 1.00 0.52 H new ATOM 0 HD2 PRO A 38 -7.454 1.698 -2.457 1.00 0.46 H new ATOM 0 HD3 PRO A 38 -8.541 2.681 -3.417 1.00 0.46 H new ATOM 559 N PHE A 39 -4.500 -0.040 -6.111 1.00 0.38 N ATOM 560 CA PHE A 39 -3.379 -1.008 -5.894 1.00 0.36 C ATOM 561 C PHE A 39 -2.435 -0.473 -4.807 1.00 0.36 C ATOM 562 O PHE A 39 -1.678 -1.223 -4.223 1.00 0.36 O ATOM 563 CB PHE A 39 -2.599 -1.210 -7.199 1.00 0.38 C ATOM 564 CG PHE A 39 -1.955 -2.580 -7.197 1.00 0.37 C ATOM 565 CD1 PHE A 39 -2.752 -3.730 -7.115 1.00 0.42 C ATOM 566 CD2 PHE A 39 -0.562 -2.701 -7.279 1.00 0.48 C ATOM 567 CE1 PHE A 39 -2.156 -4.997 -7.115 1.00 0.44 C ATOM 568 CE2 PHE A 39 0.033 -3.969 -7.278 1.00 0.52 C ATOM 569 CZ PHE A 39 -0.765 -5.116 -7.196 1.00 0.45 C ATOM 0 H PHE A 39 -4.529 0.383 -7.039 1.00 0.38 H new ATOM 0 HA PHE A 39 -3.794 -1.964 -5.575 1.00 0.36 H new ATOM 0 HB2 PHE A 39 -3.268 -1.113 -8.054 1.00 0.38 H new ATOM 0 HB3 PHE A 39 -1.836 -0.438 -7.302 1.00 0.38 H new ATOM 0 HD1 PHE A 39 -3.826 -3.639 -7.052 1.00 0.42 H new ATOM 0 HD2 PHE A 39 0.054 -1.816 -7.343 1.00 0.48 H new ATOM 0 HE1 PHE A 39 -2.771 -5.883 -7.052 1.00 0.44 H new ATOM 0 HE2 PHE A 39 1.107 -4.062 -7.340 1.00 0.52 H new ATOM 0 HZ PHE A 39 -0.306 -6.094 -7.195 1.00 0.45 H new ATOM 579 N THR A 40 -2.480 0.814 -4.523 1.00 0.39 N ATOM 580 CA THR A 40 -1.600 1.388 -3.459 1.00 0.41 C ATOM 581 C THR A 40 -1.906 0.685 -2.132 1.00 0.38 C ATOM 582 O THR A 40 -1.010 0.264 -1.426 1.00 0.39 O ATOM 583 CB THR A 40 -1.865 2.895 -3.309 1.00 0.48 C ATOM 584 OG1 THR A 40 -3.265 3.129 -3.210 1.00 0.50 O ATOM 585 CG2 THR A 40 -1.310 3.640 -4.524 1.00 0.59 C ATOM 0 H THR A 40 -3.091 1.487 -4.986 1.00 0.39 H new ATOM 0 HA THR A 40 -0.556 1.238 -3.733 1.00 0.41 H new ATOM 0 HB THR A 40 -1.372 3.256 -2.406 1.00 0.48 H new ATOM 0 HG1 THR A 40 -3.430 4.090 -3.113 1.00 0.50 H new ATOM 0 HG21 THR A 40 -1.500 4.708 -4.414 1.00 0.59 H new ATOM 0 HG22 THR A 40 -0.236 3.468 -4.597 1.00 0.59 H new ATOM 0 HG23 THR A 40 -1.798 3.276 -5.428 1.00 0.59 H new ATOM 593 N ALA A 41 -3.173 0.551 -1.802 1.00 0.39 N ATOM 594 CA ALA A 41 -3.565 -0.131 -0.531 1.00 0.39 C ATOM 595 C ALA A 41 -3.373 -1.646 -0.677 1.00 0.36 C ATOM 596 O ALA A 41 -2.936 -2.308 0.246 1.00 0.38 O ATOM 597 CB ALA A 41 -5.035 0.172 -0.221 1.00 0.45 C ATOM 0 H ALA A 41 -3.954 0.888 -2.365 1.00 0.39 H new ATOM 0 HA ALA A 41 -2.939 0.234 0.283 1.00 0.39 H new ATOM 0 HB1 ALA A 41 -5.321 -0.325 0.706 1.00 0.45 H new ATOM 0 HB2 ALA A 41 -5.170 1.248 -0.112 1.00 0.45 H new ATOM 0 HB3 ALA A 41 -5.661 -0.191 -1.036 1.00 0.45 H new ATOM 603 N VAL A 42 -3.692 -2.196 -1.831 1.00 0.35 N ATOM 604 CA VAL A 42 -3.521 -3.671 -2.041 1.00 0.35 C ATOM 605 C VAL A 42 -2.042 -4.042 -1.859 1.00 0.33 C ATOM 606 O VAL A 42 -1.708 -4.935 -1.103 1.00 0.36 O ATOM 607 CB VAL A 42 -3.978 -4.049 -3.457 1.00 0.39 C ATOM 608 CG1 VAL A 42 -3.771 -5.551 -3.686 1.00 0.48 C ATOM 609 CG2 VAL A 42 -5.463 -3.712 -3.625 1.00 0.45 C ATOM 0 H VAL A 42 -4.062 -1.686 -2.633 1.00 0.35 H new ATOM 0 HA VAL A 42 -4.125 -4.214 -1.314 1.00 0.35 H new ATOM 0 HB VAL A 42 -3.391 -3.487 -4.183 1.00 0.39 H new ATOM 0 HG11 VAL A 42 -4.097 -5.814 -4.692 1.00 0.48 H new ATOM 0 HG12 VAL A 42 -2.715 -5.794 -3.571 1.00 0.48 H new ATOM 0 HG13 VAL A 42 -4.354 -6.114 -2.957 1.00 0.48 H new ATOM 0 HG21 VAL A 42 -5.786 -3.981 -4.631 1.00 0.45 H new ATOM 0 HG22 VAL A 42 -6.048 -4.271 -2.895 1.00 0.45 H new ATOM 0 HG23 VAL A 42 -5.614 -2.644 -3.469 1.00 0.45 H new ATOM 619 N LEU A 43 -1.160 -3.348 -2.543 1.00 0.33 N ATOM 620 CA LEU A 43 0.304 -3.631 -2.423 1.00 0.33 C ATOM 621 C LEU A 43 0.783 -3.287 -1.004 1.00 0.33 C ATOM 622 O LEU A 43 1.638 -3.960 -0.456 1.00 0.39 O ATOM 623 CB LEU A 43 1.069 -2.787 -3.452 1.00 0.36 C ATOM 624 CG LEU A 43 2.549 -3.185 -3.459 1.00 0.40 C ATOM 625 CD1 LEU A 43 3.023 -3.385 -4.902 1.00 0.63 C ATOM 626 CD2 LEU A 43 3.378 -2.077 -2.801 1.00 0.67 C ATOM 0 H LEU A 43 -1.397 -2.591 -3.184 1.00 0.33 H new ATOM 0 HA LEU A 43 0.489 -4.688 -2.613 1.00 0.33 H new ATOM 0 HB2 LEU A 43 0.640 -2.931 -4.444 1.00 0.36 H new ATOM 0 HB3 LEU A 43 0.970 -1.728 -3.213 1.00 0.36 H new ATOM 0 HG LEU A 43 2.675 -4.115 -2.905 1.00 0.40 H new ATOM 0 HD11 LEU A 43 4.076 -3.668 -4.903 1.00 0.63 H new ATOM 0 HD12 LEU A 43 2.435 -4.173 -5.372 1.00 0.63 H new ATOM 0 HD13 LEU A 43 2.896 -2.456 -5.459 1.00 0.63 H new ATOM 0 HD21 LEU A 43 4.431 -2.359 -2.805 1.00 0.67 H new ATOM 0 HD22 LEU A 43 3.249 -1.148 -3.356 1.00 0.67 H new ATOM 0 HD23 LEU A 43 3.045 -1.935 -1.773 1.00 0.67 H new ATOM 638 N LYS A 44 0.235 -2.249 -0.407 1.00 0.35 N ATOM 639 CA LYS A 44 0.646 -1.858 0.981 1.00 0.38 C ATOM 640 C LYS A 44 0.329 -2.999 1.953 1.00 0.38 C ATOM 641 O LYS A 44 1.168 -3.405 2.737 1.00 0.42 O ATOM 642 CB LYS A 44 -0.122 -0.602 1.413 1.00 0.46 C ATOM 643 CG LYS A 44 0.744 0.229 2.364 1.00 0.71 C ATOM 644 CD LYS A 44 -0.151 1.026 3.315 1.00 1.01 C ATOM 645 CE LYS A 44 -0.369 0.223 4.600 1.00 2.06 C ATOM 646 NZ LYS A 44 -1.034 1.078 5.628 1.00 2.59 N ATOM 0 H LYS A 44 -0.481 -1.655 -0.825 1.00 0.35 H new ATOM 0 HA LYS A 44 1.717 -1.654 0.992 1.00 0.38 H new ATOM 0 HB2 LYS A 44 -0.391 -0.009 0.539 1.00 0.46 H new ATOM 0 HB3 LYS A 44 -1.053 -0.884 1.905 1.00 0.46 H new ATOM 0 HG2 LYS A 44 1.405 -0.424 2.934 1.00 0.71 H new ATOM 0 HG3 LYS A 44 1.379 0.907 1.794 1.00 0.71 H new ATOM 0 HD2 LYS A 44 0.310 1.986 3.547 1.00 1.01 H new ATOM 0 HD3 LYS A 44 -1.108 1.238 2.839 1.00 1.01 H new ATOM 0 HE2 LYS A 44 -0.982 -0.654 4.392 1.00 2.06 H new ATOM 0 HE3 LYS A 44 0.587 -0.140 4.979 1.00 2.06 H new ATOM 0 HZ1 LYS A 44 -1.179 0.526 6.498 1.00 2.59 H new ATOM 0 HZ2 LYS A 44 -0.433 1.901 5.836 1.00 2.59 H new ATOM 0 HZ3 LYS A 44 -1.954 1.403 5.267 1.00 2.59 H new ATOM 660 N PHE A 45 -0.880 -3.509 1.904 1.00 0.38 N ATOM 661 CA PHE A 45 -1.283 -4.620 2.822 1.00 0.40 C ATOM 662 C PHE A 45 -0.504 -5.899 2.493 1.00 0.36 C ATOM 663 O PHE A 45 -0.067 -6.602 3.383 1.00 0.40 O ATOM 664 CB PHE A 45 -2.785 -4.884 2.670 1.00 0.46 C ATOM 665 CG PHE A 45 -3.543 -4.090 3.708 1.00 0.58 C ATOM 666 CD1 PHE A 45 -3.651 -4.574 5.017 1.00 0.81 C ATOM 667 CD2 PHE A 45 -4.133 -2.869 3.362 1.00 0.82 C ATOM 668 CE1 PHE A 45 -4.350 -3.837 5.980 1.00 0.98 C ATOM 669 CE2 PHE A 45 -4.831 -2.132 4.325 1.00 0.98 C ATOM 670 CZ PHE A 45 -4.941 -2.616 5.634 1.00 0.97 C ATOM 0 H PHE A 45 -1.609 -3.200 1.262 1.00 0.38 H new ATOM 0 HA PHE A 45 -1.059 -4.328 3.848 1.00 0.40 H new ATOM 0 HB2 PHE A 45 -3.115 -4.604 1.670 1.00 0.46 H new ATOM 0 HB3 PHE A 45 -2.992 -5.948 2.788 1.00 0.46 H new ATOM 0 HD1 PHE A 45 -3.195 -5.516 5.284 1.00 0.81 H new ATOM 0 HD2 PHE A 45 -4.050 -2.496 2.352 1.00 0.82 H new ATOM 0 HE1 PHE A 45 -4.433 -4.210 6.990 1.00 0.98 H new ATOM 0 HE2 PHE A 45 -5.285 -1.189 4.058 1.00 0.98 H new ATOM 0 HZ PHE A 45 -5.482 -2.048 6.377 1.00 0.97 H new ATOM 680 N ALA A 46 -0.332 -6.210 1.226 1.00 0.34 N ATOM 681 CA ALA A 46 0.415 -7.452 0.843 1.00 0.34 C ATOM 682 C ALA A 46 1.873 -7.357 1.313 1.00 0.32 C ATOM 683 O ALA A 46 2.417 -8.307 1.845 1.00 0.37 O ATOM 684 CB ALA A 46 0.379 -7.627 -0.679 1.00 0.38 C ATOM 0 H ALA A 46 -0.677 -5.656 0.442 1.00 0.34 H new ATOM 0 HA ALA A 46 -0.058 -8.310 1.320 1.00 0.34 H new ATOM 0 HB1 ALA A 46 0.923 -8.531 -0.954 1.00 0.38 H new ATOM 0 HB2 ALA A 46 -0.656 -7.711 -1.011 1.00 0.38 H new ATOM 0 HB3 ALA A 46 0.844 -6.764 -1.156 1.00 0.38 H new ATOM 690 N ALA A 47 2.506 -6.221 1.117 1.00 0.31 N ATOM 691 CA ALA A 47 3.932 -6.057 1.546 1.00 0.32 C ATOM 692 C ALA A 47 4.036 -6.151 3.075 1.00 0.31 C ATOM 693 O ALA A 47 4.888 -6.843 3.600 1.00 0.37 O ATOM 694 CB ALA A 47 4.451 -4.694 1.082 1.00 0.36 C ATOM 0 H ALA A 47 2.093 -5.399 0.677 1.00 0.31 H new ATOM 0 HA ALA A 47 4.532 -6.849 1.099 1.00 0.32 H new ATOM 0 HB1 ALA A 47 5.489 -4.574 1.394 1.00 0.36 H new ATOM 0 HB2 ALA A 47 4.389 -4.632 -0.004 1.00 0.36 H new ATOM 0 HB3 ALA A 47 3.845 -3.904 1.526 1.00 0.36 H new ATOM 700 N GLU A 48 3.176 -5.458 3.787 1.00 0.33 N ATOM 701 CA GLU A 48 3.217 -5.497 5.284 1.00 0.35 C ATOM 702 C GLU A 48 2.858 -6.905 5.782 1.00 0.37 C ATOM 703 O GLU A 48 3.453 -7.405 6.720 1.00 0.46 O ATOM 704 CB GLU A 48 2.216 -4.483 5.849 1.00 0.39 C ATOM 705 CG GLU A 48 2.965 -3.232 6.323 1.00 0.45 C ATOM 706 CD GLU A 48 3.359 -2.376 5.114 1.00 0.60 C ATOM 707 OE1 GLU A 48 4.431 -2.603 4.574 1.00 0.87 O ATOM 708 OE2 GLU A 48 2.584 -1.507 4.750 1.00 0.86 O ATOM 0 H GLU A 48 2.445 -4.865 3.393 1.00 0.33 H new ATOM 0 HA GLU A 48 4.222 -5.245 5.621 1.00 0.35 H new ATOM 0 HB2 GLU A 48 1.485 -4.215 5.086 1.00 0.39 H new ATOM 0 HB3 GLU A 48 1.664 -4.925 6.678 1.00 0.39 H new ATOM 0 HG2 GLU A 48 2.336 -2.654 7.000 1.00 0.45 H new ATOM 0 HG3 GLU A 48 3.855 -3.520 6.883 1.00 0.45 H new ATOM 715 N GLU A 49 1.893 -7.545 5.160 1.00 0.36 N ATOM 716 CA GLU A 49 1.488 -8.922 5.586 1.00 0.40 C ATOM 717 C GLU A 49 2.596 -9.932 5.248 1.00 0.39 C ATOM 718 O GLU A 49 2.725 -10.954 5.898 1.00 0.49 O ATOM 719 CB GLU A 49 0.201 -9.327 4.861 1.00 0.45 C ATOM 720 CG GLU A 49 -1.014 -8.771 5.612 1.00 0.53 C ATOM 721 CD GLU A 49 -2.277 -8.972 4.768 1.00 0.65 C ATOM 722 OE1 GLU A 49 -2.903 -10.011 4.908 1.00 1.09 O ATOM 723 OE2 GLU A 49 -2.599 -8.083 3.995 1.00 1.01 O ATOM 0 H GLU A 49 1.367 -7.169 4.371 1.00 0.36 H new ATOM 0 HA GLU A 49 1.321 -8.920 6.663 1.00 0.40 H new ATOM 0 HB2 GLU A 49 0.213 -8.948 3.839 1.00 0.45 H new ATOM 0 HB3 GLU A 49 0.135 -10.413 4.797 1.00 0.45 H new ATOM 0 HG2 GLU A 49 -1.122 -9.275 6.572 1.00 0.53 H new ATOM 0 HG3 GLU A 49 -0.870 -7.711 5.823 1.00 0.53 H new ATOM 730 N PHE A 50 3.393 -9.657 4.237 1.00 0.33 N ATOM 731 CA PHE A 50 4.486 -10.600 3.858 1.00 0.37 C ATOM 732 C PHE A 50 5.712 -10.337 4.744 1.00 0.42 C ATOM 733 O PHE A 50 5.910 -11.005 5.743 1.00 0.51 O ATOM 734 CB PHE A 50 4.845 -10.396 2.377 1.00 0.37 C ATOM 735 CG PHE A 50 4.083 -11.388 1.522 1.00 0.37 C ATOM 736 CD1 PHE A 50 4.124 -12.752 1.828 1.00 0.43 C ATOM 737 CD2 PHE A 50 3.341 -10.942 0.420 1.00 0.49 C ATOM 738 CE1 PHE A 50 3.422 -13.671 1.038 1.00 0.49 C ATOM 739 CE2 PHE A 50 2.640 -11.861 -0.372 1.00 0.55 C ATOM 740 CZ PHE A 50 2.681 -13.225 -0.062 1.00 0.51 C ATOM 0 H PHE A 50 3.329 -8.818 3.661 1.00 0.33 H new ATOM 0 HA PHE A 50 4.157 -11.629 4.003 1.00 0.37 H new ATOM 0 HB2 PHE A 50 4.603 -9.378 2.072 1.00 0.37 H new ATOM 0 HB3 PHE A 50 5.918 -10.526 2.232 1.00 0.37 H new ATOM 0 HD1 PHE A 50 4.698 -13.097 2.675 1.00 0.43 H new ATOM 0 HD2 PHE A 50 3.309 -9.889 0.181 1.00 0.49 H new ATOM 0 HE1 PHE A 50 3.453 -14.724 1.278 1.00 0.49 H new ATOM 0 HE2 PHE A 50 2.068 -11.517 -1.221 1.00 0.55 H new ATOM 0 HZ PHE A 50 2.141 -13.934 -0.672 1.00 0.51 H new ATOM 750 N LYS A 51 6.526 -9.364 4.390 1.00 0.41 N ATOM 751 CA LYS A 51 7.743 -9.040 5.210 1.00 0.49 C ATOM 752 C LYS A 51 8.565 -7.929 4.528 1.00 0.48 C ATOM 753 O LYS A 51 9.784 -7.925 4.579 1.00 0.58 O ATOM 754 CB LYS A 51 8.611 -10.299 5.368 1.00 0.57 C ATOM 755 CG LYS A 51 8.939 -10.514 6.849 1.00 0.78 C ATOM 756 CD LYS A 51 10.437 -10.294 7.085 1.00 1.01 C ATOM 757 CE LYS A 51 11.055 -11.570 7.664 1.00 1.55 C ATOM 758 NZ LYS A 51 12.503 -11.632 7.309 1.00 2.12 N ATOM 0 H LYS A 51 6.398 -8.778 3.565 1.00 0.41 H new ATOM 0 HA LYS A 51 7.423 -8.692 6.192 1.00 0.49 H new ATOM 0 HB2 LYS A 51 8.085 -11.168 4.972 1.00 0.57 H new ATOM 0 HB3 LYS A 51 9.531 -10.193 4.793 1.00 0.57 H new ATOM 0 HG2 LYS A 51 8.359 -9.825 7.463 1.00 0.78 H new ATOM 0 HG3 LYS A 51 8.658 -11.523 7.151 1.00 0.78 H new ATOM 0 HD2 LYS A 51 10.929 -10.031 6.148 1.00 1.01 H new ATOM 0 HD3 LYS A 51 10.590 -9.460 7.770 1.00 1.01 H new ATOM 0 HE2 LYS A 51 10.935 -11.585 8.747 1.00 1.55 H new ATOM 0 HE3 LYS A 51 10.537 -12.446 7.274 1.00 1.55 H new ATOM 0 HZ1 LYS A 51 12.920 -12.499 7.703 1.00 2.12 H new ATOM 0 HZ2 LYS A 51 12.607 -11.637 6.274 1.00 2.12 H new ATOM 0 HZ3 LYS A 51 12.993 -10.803 7.702 1.00 2.12 H new ATOM 772 N VAL A 52 7.908 -6.983 3.894 1.00 0.41 N ATOM 773 CA VAL A 52 8.645 -5.870 3.212 1.00 0.43 C ATOM 774 C VAL A 52 7.878 -4.549 3.392 1.00 0.41 C ATOM 775 O VAL A 52 6.684 -4.554 3.629 1.00 0.41 O ATOM 776 CB VAL A 52 8.790 -6.177 1.712 1.00 0.45 C ATOM 777 CG1 VAL A 52 9.894 -7.216 1.503 1.00 0.61 C ATOM 778 CG2 VAL A 52 7.468 -6.722 1.162 1.00 0.49 C ATOM 0 H VAL A 52 6.892 -6.935 3.820 1.00 0.41 H new ATOM 0 HA VAL A 52 9.635 -5.778 3.658 1.00 0.43 H new ATOM 0 HB VAL A 52 9.049 -5.259 1.185 1.00 0.45 H new ATOM 0 HG11 VAL A 52 9.994 -7.431 0.439 1.00 0.61 H new ATOM 0 HG12 VAL A 52 10.838 -6.826 1.885 1.00 0.61 H new ATOM 0 HG13 VAL A 52 9.638 -8.132 2.036 1.00 0.61 H new ATOM 0 HG21 VAL A 52 7.577 -6.937 0.099 1.00 0.49 H new ATOM 0 HG22 VAL A 52 7.203 -7.637 1.692 1.00 0.49 H new ATOM 0 HG23 VAL A 52 6.682 -5.980 1.303 1.00 0.49 H new ATOM 788 N PRO A 53 8.595 -3.452 3.268 1.00 0.45 N ATOM 789 CA PRO A 53 8.018 -2.099 3.408 1.00 0.47 C ATOM 790 C PRO A 53 7.246 -1.705 2.141 1.00 0.40 C ATOM 791 O PRO A 53 7.732 -1.857 1.033 1.00 0.42 O ATOM 792 CB PRO A 53 9.244 -1.202 3.604 1.00 0.59 C ATOM 793 CG PRO A 53 10.448 -1.972 3.010 1.00 0.62 C ATOM 794 CD PRO A 53 10.047 -3.459 2.978 1.00 0.55 C ATOM 0 HA PRO A 53 7.305 -2.023 4.229 1.00 0.47 H new ATOM 0 HB2 PRO A 53 9.109 -0.244 3.101 1.00 0.59 H new ATOM 0 HB3 PRO A 53 9.403 -0.987 4.661 1.00 0.59 H new ATOM 0 HG2 PRO A 53 10.682 -1.612 2.008 1.00 0.62 H new ATOM 0 HG3 PRO A 53 11.340 -1.824 3.618 1.00 0.62 H new ATOM 0 HD2 PRO A 53 10.257 -3.907 2.007 1.00 0.55 H new ATOM 0 HD3 PRO A 53 10.598 -4.036 3.721 1.00 0.55 H new ATOM 802 N ALA A 54 6.046 -1.198 2.306 1.00 0.46 N ATOM 803 CA ALA A 54 5.217 -0.783 1.128 1.00 0.49 C ATOM 804 C ALA A 54 5.896 0.374 0.379 1.00 0.53 C ATOM 805 O ALA A 54 5.756 0.502 -0.825 1.00 0.64 O ATOM 806 CB ALA A 54 3.838 -0.329 1.617 1.00 0.64 C ATOM 0 H ALA A 54 5.602 -1.053 3.213 1.00 0.46 H new ATOM 0 HA ALA A 54 5.113 -1.631 0.451 1.00 0.49 H new ATOM 0 HB1 ALA A 54 3.231 -0.026 0.764 1.00 0.64 H new ATOM 0 HB2 ALA A 54 3.348 -1.152 2.137 1.00 0.64 H new ATOM 0 HB3 ALA A 54 3.953 0.514 2.298 1.00 0.64 H new ATOM 812 N ALA A 55 6.630 1.213 1.081 1.00 0.57 N ATOM 813 CA ALA A 55 7.321 2.366 0.418 1.00 0.66 C ATOM 814 C ALA A 55 8.291 1.852 -0.656 1.00 0.61 C ATOM 815 O ALA A 55 8.405 2.431 -1.722 1.00 0.75 O ATOM 816 CB ALA A 55 8.099 3.166 1.469 1.00 0.78 C ATOM 0 H ALA A 55 6.779 1.146 2.088 1.00 0.57 H new ATOM 0 HA ALA A 55 6.575 3.006 -0.053 1.00 0.66 H new ATOM 0 HB1 ALA A 55 8.602 4.005 0.989 1.00 0.78 H new ATOM 0 HB2 ALA A 55 7.409 3.541 2.225 1.00 0.78 H new ATOM 0 HB3 ALA A 55 8.840 2.521 1.942 1.00 0.78 H new ATOM 822 N THR A 56 8.986 0.770 -0.383 1.00 0.54 N ATOM 823 CA THR A 56 9.949 0.208 -1.385 1.00 0.65 C ATOM 824 C THR A 56 9.501 -1.208 -1.784 1.00 0.57 C ATOM 825 O THR A 56 10.289 -2.140 -1.810 1.00 0.74 O ATOM 826 CB THR A 56 11.374 0.167 -0.787 1.00 0.87 C ATOM 827 OG1 THR A 56 11.324 0.294 0.634 1.00 1.08 O ATOM 828 CG2 THR A 56 12.212 1.306 -1.380 1.00 1.34 C ATOM 0 H THR A 56 8.927 0.251 0.493 1.00 0.54 H new ATOM 0 HA THR A 56 9.962 0.844 -2.270 1.00 0.65 H new ATOM 0 HB THR A 56 11.832 -0.791 -1.035 1.00 0.87 H new ATOM 0 HG1 THR A 56 12.234 0.264 0.997 1.00 1.08 H new ATOM 0 HG21 THR A 56 13.217 1.276 -0.958 1.00 1.34 H new ATOM 0 HG22 THR A 56 12.270 1.190 -2.462 1.00 1.34 H new ATOM 0 HG23 THR A 56 11.746 2.262 -1.142 1.00 1.34 H new ATOM 836 N SER A 57 8.238 -1.373 -2.099 1.00 0.43 N ATOM 837 CA SER A 57 7.727 -2.719 -2.500 1.00 0.36 C ATOM 838 C SER A 57 7.125 -2.658 -3.908 1.00 0.33 C ATOM 839 O SER A 57 6.792 -1.600 -4.414 1.00 0.42 O ATOM 840 CB SER A 57 6.655 -3.179 -1.511 1.00 0.41 C ATOM 841 OG SER A 57 7.136 -4.307 -0.790 1.00 0.84 O ATOM 0 H SER A 57 7.539 -0.630 -2.095 1.00 0.43 H new ATOM 0 HA SER A 57 8.557 -3.425 -2.496 1.00 0.36 H new ATOM 0 HB2 SER A 57 6.408 -2.371 -0.823 1.00 0.41 H new ATOM 0 HB3 SER A 57 5.739 -3.436 -2.043 1.00 0.41 H new ATOM 0 HG SER A 57 7.545 -4.009 0.049 1.00 0.84 H new ATOM 847 N ALA A 58 6.982 -3.798 -4.534 1.00 0.32 N ATOM 848 CA ALA A 58 6.403 -3.855 -5.911 1.00 0.32 C ATOM 849 C ALA A 58 5.848 -5.262 -6.172 1.00 0.29 C ATOM 850 O ALA A 58 6.293 -6.231 -5.583 1.00 0.37 O ATOM 851 CB ALA A 58 7.494 -3.537 -6.938 1.00 0.39 C ATOM 0 H ALA A 58 7.245 -4.703 -4.145 1.00 0.32 H new ATOM 0 HA ALA A 58 5.599 -3.124 -5.999 1.00 0.32 H new ATOM 0 HB1 ALA A 58 7.072 -3.579 -7.942 1.00 0.39 H new ATOM 0 HB2 ALA A 58 7.889 -2.538 -6.752 1.00 0.39 H new ATOM 0 HB3 ALA A 58 8.298 -4.267 -6.852 1.00 0.39 H new ATOM 857 N ILE A 59 4.877 -5.382 -7.047 1.00 0.30 N ATOM 858 CA ILE A 59 4.289 -6.725 -7.341 1.00 0.30 C ATOM 859 C ILE A 59 4.418 -7.025 -8.841 1.00 0.31 C ATOM 860 O ILE A 59 3.924 -6.289 -9.671 1.00 0.40 O ATOM 861 CB ILE A 59 2.812 -6.734 -6.919 1.00 0.31 C ATOM 862 CG1 ILE A 59 2.721 -7.000 -5.411 1.00 0.36 C ATOM 863 CG2 ILE A 59 2.049 -7.830 -7.673 1.00 0.36 C ATOM 864 CD1 ILE A 59 1.337 -6.593 -4.896 1.00 0.43 C ATOM 0 H ILE A 59 4.468 -4.607 -7.569 1.00 0.30 H new ATOM 0 HA ILE A 59 4.823 -7.494 -6.783 1.00 0.30 H new ATOM 0 HB ILE A 59 2.368 -5.767 -7.157 1.00 0.31 H new ATOM 0 HG12 ILE A 59 2.899 -8.056 -5.207 1.00 0.36 H new ATOM 0 HG13 ILE A 59 3.494 -6.439 -4.886 1.00 0.36 H new ATOM 0 HG21 ILE A 59 1.004 -7.824 -7.364 1.00 0.36 H new ATOM 0 HG22 ILE A 59 2.111 -7.645 -8.745 1.00 0.36 H new ATOM 0 HG23 ILE A 59 2.489 -8.801 -7.447 1.00 0.36 H new ATOM 0 HD11 ILE A 59 1.277 -6.784 -3.824 1.00 0.43 H new ATOM 0 HD12 ILE A 59 1.176 -5.532 -5.085 1.00 0.43 H new ATOM 0 HD13 ILE A 59 0.572 -7.174 -5.411 1.00 0.43 H new ATOM 876 N ILE A 60 5.078 -8.106 -9.188 1.00 0.33 N ATOM 877 CA ILE A 60 5.240 -8.464 -10.635 1.00 0.36 C ATOM 878 C ILE A 60 4.205 -9.531 -11.031 1.00 0.36 C ATOM 879 O ILE A 60 3.512 -10.081 -10.192 1.00 0.41 O ATOM 880 CB ILE A 60 6.660 -8.998 -10.887 1.00 0.43 C ATOM 881 CG1 ILE A 60 6.909 -10.252 -10.037 1.00 0.49 C ATOM 882 CG2 ILE A 60 7.690 -7.923 -10.525 1.00 0.46 C ATOM 883 CD1 ILE A 60 7.516 -11.351 -10.912 1.00 0.64 C ATOM 0 H ILE A 60 5.511 -8.756 -8.532 1.00 0.33 H new ATOM 0 HA ILE A 60 5.081 -7.571 -11.240 1.00 0.36 H new ATOM 0 HB ILE A 60 6.758 -9.255 -11.942 1.00 0.43 H new ATOM 0 HG12 ILE A 60 7.581 -10.017 -9.212 1.00 0.49 H new ATOM 0 HG13 ILE A 60 5.973 -10.598 -9.598 1.00 0.49 H new ATOM 0 HG21 ILE A 60 8.694 -8.306 -10.705 1.00 0.46 H new ATOM 0 HG22 ILE A 60 7.524 -7.038 -11.139 1.00 0.46 H new ATOM 0 HG23 ILE A 60 7.586 -7.659 -9.473 1.00 0.46 H new ATOM 0 HD11 ILE A 60 7.693 -12.241 -10.308 1.00 0.64 H new ATOM 0 HD12 ILE A 60 6.828 -11.593 -11.722 1.00 0.64 H new ATOM 0 HD13 ILE A 60 8.461 -11.003 -11.330 1.00 0.64 H new ATOM 895 N THR A 61 4.098 -9.824 -12.307 1.00 0.38 N ATOM 896 CA THR A 61 3.112 -10.851 -12.775 1.00 0.41 C ATOM 897 C THR A 61 3.840 -12.148 -13.157 1.00 0.50 C ATOM 898 O THR A 61 5.057 -12.219 -13.141 1.00 0.58 O ATOM 899 CB THR A 61 2.347 -10.318 -13.996 1.00 0.44 C ATOM 900 OG1 THR A 61 3.267 -9.970 -15.024 1.00 0.55 O ATOM 901 CG2 THR A 61 1.533 -9.087 -13.599 1.00 0.50 C ATOM 0 H THR A 61 4.654 -9.394 -13.047 1.00 0.38 H new ATOM 0 HA THR A 61 2.411 -11.058 -11.967 1.00 0.41 H new ATOM 0 HB THR A 61 1.673 -11.093 -14.362 1.00 0.44 H new ATOM 0 HG1 THR A 61 2.777 -9.785 -15.852 1.00 0.55 H new ATOM 0 HG21 THR A 61 0.992 -8.713 -14.468 1.00 0.50 H new ATOM 0 HG22 THR A 61 0.822 -9.357 -12.818 1.00 0.50 H new ATOM 0 HG23 THR A 61 2.203 -8.312 -13.227 1.00 0.50 H new ATOM 909 N ASN A 62 3.094 -13.172 -13.507 1.00 0.57 N ATOM 910 CA ASN A 62 3.719 -14.476 -13.901 1.00 0.69 C ATOM 911 C ASN A 62 4.430 -14.335 -15.256 1.00 0.75 C ATOM 912 O ASN A 62 5.352 -15.073 -15.554 1.00 0.86 O ATOM 913 CB ASN A 62 2.633 -15.553 -14.006 1.00 0.76 C ATOM 914 CG ASN A 62 2.268 -16.050 -12.603 1.00 0.77 C ATOM 915 OD1 ASN A 62 1.343 -15.555 -11.992 1.00 0.86 O ATOM 916 ND2 ASN A 62 2.964 -17.016 -12.063 1.00 0.89 N ATOM 0 H ASN A 62 2.075 -13.159 -13.536 1.00 0.57 H new ATOM 0 HA ASN A 62 4.449 -14.762 -13.144 1.00 0.69 H new ATOM 0 HB2 ASN A 62 1.750 -15.147 -14.501 1.00 0.76 H new ATOM 0 HB3 ASN A 62 2.987 -16.383 -14.617 1.00 0.76 H new ATOM 0 HD21 ASN A 62 2.730 -17.353 -11.129 1.00 0.89 H new ATOM 0 HD22 ASN A 62 3.741 -17.433 -12.575 1.00 0.89 H new ATOM 923 N ASP A 63 4.016 -13.390 -16.074 1.00 0.71 N ATOM 924 CA ASP A 63 4.672 -13.195 -17.405 1.00 0.82 C ATOM 925 C ASP A 63 5.981 -12.421 -17.220 1.00 0.85 C ATOM 926 O ASP A 63 6.989 -12.740 -17.824 1.00 1.13 O ATOM 927 CB ASP A 63 3.740 -12.402 -18.330 1.00 0.84 C ATOM 928 CG ASP A 63 2.527 -13.261 -18.704 1.00 1.10 C ATOM 929 OD1 ASP A 63 2.613 -13.978 -19.688 1.00 1.41 O ATOM 930 OD2 ASP A 63 1.531 -13.183 -18.002 1.00 1.32 O ATOM 0 H ASP A 63 3.251 -12.746 -15.873 1.00 0.71 H new ATOM 0 HA ASP A 63 4.881 -14.168 -17.849 1.00 0.82 H new ATOM 0 HB2 ASP A 63 3.411 -11.489 -17.834 1.00 0.84 H new ATOM 0 HB3 ASP A 63 4.276 -12.101 -19.230 1.00 0.84 H new ATOM 935 N GLY A 64 5.969 -11.406 -16.386 1.00 0.69 N ATOM 936 CA GLY A 64 7.205 -10.599 -16.146 1.00 0.74 C ATOM 937 C GLY A 64 6.873 -9.104 -16.225 1.00 0.73 C ATOM 938 O GLY A 64 7.576 -8.342 -16.863 1.00 0.90 O ATOM 0 H GLY A 64 5.150 -11.102 -15.859 1.00 0.69 H new ATOM 0 HA2 GLY A 64 7.621 -10.837 -15.167 1.00 0.74 H new ATOM 0 HA3 GLY A 64 7.965 -10.852 -16.886 1.00 0.74 H new ATOM 942 N VAL A 65 5.812 -8.684 -15.575 1.00 0.61 N ATOM 943 CA VAL A 65 5.423 -7.241 -15.599 1.00 0.61 C ATOM 944 C VAL A 65 5.443 -6.697 -14.166 1.00 0.54 C ATOM 945 O VAL A 65 4.695 -7.143 -13.315 1.00 0.51 O ATOM 946 CB VAL A 65 4.015 -7.093 -16.193 1.00 0.62 C ATOM 947 CG1 VAL A 65 3.633 -5.611 -16.250 1.00 0.73 C ATOM 948 CG2 VAL A 65 3.991 -7.678 -17.611 1.00 0.75 C ATOM 0 H VAL A 65 5.197 -9.285 -15.026 1.00 0.61 H new ATOM 0 HA VAL A 65 6.126 -6.680 -16.215 1.00 0.61 H new ATOM 0 HB VAL A 65 3.303 -7.628 -15.565 1.00 0.62 H new ATOM 0 HG11 VAL A 65 2.633 -5.509 -16.672 1.00 0.73 H new ATOM 0 HG12 VAL A 65 3.646 -5.193 -15.243 1.00 0.73 H new ATOM 0 HG13 VAL A 65 4.347 -5.075 -16.875 1.00 0.73 H new ATOM 0 HG21 VAL A 65 2.991 -7.572 -18.031 1.00 0.75 H new ATOM 0 HG22 VAL A 65 4.706 -7.144 -18.237 1.00 0.75 H new ATOM 0 HG23 VAL A 65 4.259 -8.734 -17.574 1.00 0.75 H new ATOM 958 N GLY A 66 6.301 -5.740 -13.901 1.00 0.57 N ATOM 959 CA GLY A 66 6.398 -5.154 -12.529 1.00 0.52 C ATOM 960 C GLY A 66 5.210 -4.228 -12.273 1.00 0.49 C ATOM 961 O GLY A 66 5.296 -3.027 -12.462 1.00 0.58 O ATOM 0 H GLY A 66 6.943 -5.338 -14.584 1.00 0.57 H new ATOM 0 HA2 GLY A 66 6.416 -5.950 -11.785 1.00 0.52 H new ATOM 0 HA3 GLY A 66 7.331 -4.600 -12.426 1.00 0.52 H new ATOM 965 N VAL A 67 4.107 -4.785 -11.836 1.00 0.42 N ATOM 966 CA VAL A 67 2.891 -3.960 -11.545 1.00 0.43 C ATOM 967 C VAL A 67 3.192 -3.012 -10.376 1.00 0.41 C ATOM 968 O VAL A 67 3.643 -3.432 -9.322 1.00 0.46 O ATOM 969 CB VAL A 67 1.717 -4.878 -11.174 1.00 0.45 C ATOM 970 CG1 VAL A 67 0.434 -4.051 -11.037 1.00 0.52 C ATOM 971 CG2 VAL A 67 1.524 -5.935 -12.265 1.00 0.55 C ATOM 0 H VAL A 67 3.995 -5.785 -11.667 1.00 0.42 H new ATOM 0 HA VAL A 67 2.625 -3.380 -12.429 1.00 0.43 H new ATOM 0 HB VAL A 67 1.935 -5.369 -10.225 1.00 0.45 H new ATOM 0 HG11 VAL A 67 -0.396 -4.707 -10.774 1.00 0.52 H new ATOM 0 HG12 VAL A 67 0.566 -3.302 -10.256 1.00 0.52 H new ATOM 0 HG13 VAL A 67 0.218 -3.555 -11.983 1.00 0.52 H new ATOM 0 HG21 VAL A 67 0.690 -6.585 -11.999 1.00 0.55 H new ATOM 0 HG22 VAL A 67 1.312 -5.443 -13.214 1.00 0.55 H new ATOM 0 HG23 VAL A 67 2.432 -6.530 -12.360 1.00 0.55 H new ATOM 981 N ASN A 68 2.949 -1.737 -10.563 1.00 0.46 N ATOM 982 CA ASN A 68 3.218 -0.743 -9.479 1.00 0.47 C ATOM 983 C ASN A 68 1.895 -0.305 -8.830 1.00 0.43 C ATOM 984 O ASN A 68 0.834 -0.482 -9.404 1.00 0.43 O ATOM 985 CB ASN A 68 3.925 0.479 -10.080 1.00 0.55 C ATOM 986 CG ASN A 68 5.435 0.223 -10.143 1.00 0.74 C ATOM 987 OD1 ASN A 68 5.876 -0.754 -10.718 1.00 1.11 O ATOM 988 ND2 ASN A 68 6.254 1.068 -9.575 1.00 1.33 N ATOM 0 H ASN A 68 2.574 -1.341 -11.425 1.00 0.46 H new ATOM 0 HA ASN A 68 3.852 -1.199 -8.719 1.00 0.47 H new ATOM 0 HB2 ASN A 68 3.538 0.680 -11.079 1.00 0.55 H new ATOM 0 HB3 ASN A 68 3.721 1.363 -9.476 1.00 0.55 H new ATOM 0 HD21 ASN A 68 7.261 0.908 -9.614 1.00 1.33 H new ATOM 0 HD22 ASN A 68 5.887 1.888 -9.092 1.00 1.33 H new ATOM 995 N PRO A 69 2.003 0.264 -7.646 1.00 0.45 N ATOM 996 CA PRO A 69 0.837 0.749 -6.879 1.00 0.49 C ATOM 997 C PRO A 69 0.351 2.094 -7.448 1.00 0.50 C ATOM 998 O PRO A 69 0.408 3.120 -6.794 1.00 0.58 O ATOM 999 CB PRO A 69 1.385 0.902 -5.454 1.00 0.57 C ATOM 1000 CG PRO A 69 2.919 1.048 -5.588 1.00 0.56 C ATOM 1001 CD PRO A 69 3.298 0.472 -6.965 1.00 0.50 C ATOM 0 HA PRO A 69 -0.023 0.081 -6.920 1.00 0.49 H new ATOM 0 HB2 PRO A 69 0.953 1.775 -4.964 1.00 0.57 H new ATOM 0 HB3 PRO A 69 1.129 0.035 -4.845 1.00 0.57 H new ATOM 0 HG2 PRO A 69 3.217 2.094 -5.510 1.00 0.56 H new ATOM 0 HG3 PRO A 69 3.430 0.511 -4.789 1.00 0.56 H new ATOM 0 HD2 PRO A 69 3.934 1.160 -7.522 1.00 0.50 H new ATOM 0 HD3 PRO A 69 3.850 -0.463 -6.866 1.00 0.50 H new ATOM 1009 N ALA A 70 -0.114 2.085 -8.675 1.00 0.50 N ATOM 1010 CA ALA A 70 -0.603 3.347 -9.320 1.00 0.57 C ATOM 1011 C ALA A 70 -1.993 3.135 -9.953 1.00 0.60 C ATOM 1012 O ALA A 70 -2.730 4.084 -10.156 1.00 0.97 O ATOM 1013 CB ALA A 70 0.390 3.772 -10.405 1.00 0.63 C ATOM 0 H ALA A 70 -0.176 1.253 -9.261 1.00 0.50 H new ATOM 0 HA ALA A 70 -0.684 4.123 -8.558 1.00 0.57 H new ATOM 0 HB1 ALA A 70 0.041 4.689 -10.879 1.00 0.63 H new ATOM 0 HB2 ALA A 70 1.368 3.945 -9.956 1.00 0.63 H new ATOM 0 HB3 ALA A 70 0.469 2.984 -11.154 1.00 0.63 H new ATOM 1019 N GLN A 71 -2.354 1.910 -10.276 1.00 0.47 N ATOM 1020 CA GLN A 71 -3.690 1.646 -10.904 1.00 0.47 C ATOM 1021 C GLN A 71 -4.683 1.143 -9.843 1.00 0.42 C ATOM 1022 O GLN A 71 -4.283 0.708 -8.780 1.00 0.42 O ATOM 1023 CB GLN A 71 -3.530 0.578 -11.991 1.00 0.50 C ATOM 1024 CG GLN A 71 -2.664 1.125 -13.130 1.00 0.69 C ATOM 1025 CD GLN A 71 -1.545 0.128 -13.443 1.00 0.89 C ATOM 1026 OE1 GLN A 71 -1.707 -0.742 -14.277 1.00 1.14 O ATOM 1027 NE2 GLN A 71 -0.408 0.215 -12.805 1.00 1.12 N ATOM 0 H GLN A 71 -1.777 1.081 -10.130 1.00 0.47 H new ATOM 0 HA GLN A 71 -4.071 2.570 -11.339 1.00 0.47 H new ATOM 0 HB2 GLN A 71 -3.071 -0.317 -11.570 1.00 0.50 H new ATOM 0 HB3 GLN A 71 -4.508 0.285 -12.373 1.00 0.50 H new ATOM 0 HG2 GLN A 71 -3.275 1.293 -14.017 1.00 0.69 H new ATOM 0 HG3 GLN A 71 -2.239 2.088 -12.848 1.00 0.69 H new ATOM 0 HE21 GLN A 71 -0.270 0.944 -12.105 1.00 1.12 H new ATOM 0 HE22 GLN A 71 0.342 -0.446 -13.007 1.00 1.12 H new ATOM 1036 N PRO A 72 -5.957 1.207 -10.175 1.00 0.42 N ATOM 1037 CA PRO A 72 -7.041 0.754 -9.279 1.00 0.41 C ATOM 1038 C PRO A 72 -7.146 -0.780 -9.295 1.00 0.36 C ATOM 1039 O PRO A 72 -6.755 -1.424 -10.252 1.00 0.39 O ATOM 1040 CB PRO A 72 -8.296 1.394 -9.878 1.00 0.46 C ATOM 1041 CG PRO A 72 -7.968 1.694 -11.360 1.00 0.48 C ATOM 1042 CD PRO A 72 -6.433 1.740 -11.471 1.00 0.47 C ATOM 0 HA PRO A 72 -6.882 1.036 -8.238 1.00 0.41 H new ATOM 0 HB2 PRO A 72 -9.151 0.722 -9.798 1.00 0.46 H new ATOM 0 HB3 PRO A 72 -8.558 2.308 -9.345 1.00 0.46 H new ATOM 0 HG2 PRO A 72 -8.381 0.924 -12.012 1.00 0.48 H new ATOM 0 HG3 PRO A 72 -8.407 2.642 -11.670 1.00 0.48 H new ATOM 0 HD2 PRO A 72 -6.076 1.136 -12.305 1.00 0.47 H new ATOM 0 HD3 PRO A 72 -6.076 2.756 -11.638 1.00 0.47 H new ATOM 1050 N ALA A 73 -7.670 -1.362 -8.239 1.00 0.38 N ATOM 1051 CA ALA A 73 -7.806 -2.855 -8.174 1.00 0.37 C ATOM 1052 C ALA A 73 -8.598 -3.367 -9.387 1.00 0.34 C ATOM 1053 O ALA A 73 -8.274 -4.397 -9.951 1.00 0.36 O ATOM 1054 CB ALA A 73 -8.535 -3.249 -6.887 1.00 0.44 C ATOM 0 H ALA A 73 -8.011 -0.865 -7.416 1.00 0.38 H new ATOM 0 HA ALA A 73 -6.812 -3.301 -8.183 1.00 0.37 H new ATOM 0 HB1 ALA A 73 -8.633 -4.334 -6.842 1.00 0.44 H new ATOM 0 HB2 ALA A 73 -7.966 -2.900 -6.025 1.00 0.44 H new ATOM 0 HB3 ALA A 73 -9.526 -2.795 -6.876 1.00 0.44 H new ATOM 1060 N GLY A 74 -9.629 -2.657 -9.789 1.00 0.38 N ATOM 1061 CA GLY A 74 -10.446 -3.093 -10.965 1.00 0.40 C ATOM 1062 C GLY A 74 -9.554 -3.206 -12.209 1.00 0.37 C ATOM 1063 O GLY A 74 -9.611 -4.183 -12.931 1.00 0.40 O ATOM 0 H GLY A 74 -9.939 -1.790 -9.349 1.00 0.38 H new ATOM 0 HA2 GLY A 74 -10.916 -4.054 -10.756 1.00 0.40 H new ATOM 0 HA3 GLY A 74 -11.249 -2.378 -11.146 1.00 0.40 H new ATOM 1067 N ASN A 75 -8.731 -2.211 -12.458 1.00 0.39 N ATOM 1068 CA ASN A 75 -7.826 -2.250 -13.652 1.00 0.42 C ATOM 1069 C ASN A 75 -6.746 -3.324 -13.459 1.00 0.38 C ATOM 1070 O ASN A 75 -6.388 -4.020 -14.391 1.00 0.43 O ATOM 1071 CB ASN A 75 -7.160 -0.881 -13.831 1.00 0.51 C ATOM 1072 CG ASN A 75 -6.499 -0.808 -15.211 1.00 0.60 C ATOM 1073 OD1 ASN A 75 -5.301 -0.971 -15.332 1.00 0.77 O ATOM 1074 ND2 ASN A 75 -7.235 -0.569 -16.263 1.00 0.98 N ATOM 0 H ASN A 75 -8.648 -1.372 -11.883 1.00 0.39 H new ATOM 0 HA ASN A 75 -8.413 -2.491 -14.538 1.00 0.42 H new ATOM 0 HB2 ASN A 75 -7.901 -0.089 -13.729 1.00 0.51 H new ATOM 0 HB3 ASN A 75 -6.415 -0.723 -13.051 1.00 0.51 H new ATOM 0 HD21 ASN A 75 -6.804 -0.519 -17.186 1.00 0.98 H new ATOM 0 HD22 ASN A 75 -8.241 -0.432 -16.161 1.00 0.98 H new ATOM 1081 N ILE A 76 -6.231 -3.462 -12.257 1.00 0.36 N ATOM 1082 CA ILE A 76 -5.174 -4.492 -11.985 1.00 0.37 C ATOM 1083 C ILE A 76 -5.727 -5.891 -12.299 1.00 0.35 C ATOM 1084 O ILE A 76 -5.050 -6.717 -12.882 1.00 0.41 O ATOM 1085 CB ILE A 76 -4.763 -4.417 -10.504 1.00 0.44 C ATOM 1086 CG1 ILE A 76 -4.086 -3.064 -10.223 1.00 0.49 C ATOM 1087 CG2 ILE A 76 -3.795 -5.560 -10.163 1.00 0.50 C ATOM 1088 CD1 ILE A 76 -2.782 -2.943 -11.020 1.00 0.51 C ATOM 0 H ILE A 76 -6.500 -2.902 -11.448 1.00 0.36 H new ATOM 0 HA ILE A 76 -4.305 -4.301 -12.614 1.00 0.37 H new ATOM 0 HB ILE A 76 -5.655 -4.513 -9.885 1.00 0.44 H new ATOM 0 HG12 ILE A 76 -4.760 -2.250 -10.491 1.00 0.49 H new ATOM 0 HG13 ILE A 76 -3.878 -2.968 -9.157 1.00 0.49 H new ATOM 0 HG21 ILE A 76 -3.512 -5.496 -9.112 1.00 0.50 H new ATOM 0 HG22 ILE A 76 -4.282 -6.517 -10.350 1.00 0.50 H new ATOM 0 HG23 ILE A 76 -2.903 -5.479 -10.785 1.00 0.50 H new ATOM 0 HD11 ILE A 76 -2.315 -1.981 -10.810 1.00 0.51 H new ATOM 0 HD12 ILE A 76 -2.103 -3.746 -10.732 1.00 0.51 H new ATOM 0 HD13 ILE A 76 -2.999 -3.017 -12.086 1.00 0.51 H new ATOM 1100 N PHE A 77 -6.954 -6.153 -11.913 1.00 0.32 N ATOM 1101 CA PHE A 77 -7.576 -7.488 -12.177 1.00 0.34 C ATOM 1102 C PHE A 77 -7.918 -7.627 -13.670 1.00 0.33 C ATOM 1103 O PHE A 77 -7.806 -8.698 -14.239 1.00 0.41 O ATOM 1104 CB PHE A 77 -8.859 -7.610 -11.345 1.00 0.38 C ATOM 1105 CG PHE A 77 -9.253 -9.063 -11.200 1.00 0.35 C ATOM 1106 CD1 PHE A 77 -9.971 -9.702 -12.221 1.00 0.52 C ATOM 1107 CD2 PHE A 77 -8.910 -9.771 -10.041 1.00 0.42 C ATOM 1108 CE1 PHE A 77 -10.342 -11.044 -12.082 1.00 0.59 C ATOM 1109 CE2 PHE A 77 -9.282 -11.115 -9.904 1.00 0.50 C ATOM 1110 CZ PHE A 77 -9.999 -11.750 -10.924 1.00 0.53 C ATOM 0 H PHE A 77 -7.555 -5.492 -11.422 1.00 0.32 H new ATOM 0 HA PHE A 77 -6.875 -8.276 -11.902 1.00 0.34 H new ATOM 0 HB2 PHE A 77 -8.706 -7.167 -10.361 1.00 0.38 H new ATOM 0 HB3 PHE A 77 -9.665 -7.053 -11.823 1.00 0.38 H new ATOM 0 HD1 PHE A 77 -10.238 -9.158 -13.115 1.00 0.52 H new ATOM 0 HD2 PHE A 77 -8.358 -9.281 -9.252 1.00 0.42 H new ATOM 0 HE1 PHE A 77 -10.894 -11.535 -12.870 1.00 0.59 H new ATOM 0 HE2 PHE A 77 -9.015 -11.661 -9.011 1.00 0.50 H new ATOM 0 HZ PHE A 77 -10.288 -12.785 -10.817 1.00 0.53 H new ATOM 1120 N LEU A 78 -8.345 -6.555 -14.300 1.00 0.33 N ATOM 1121 CA LEU A 78 -8.711 -6.613 -15.754 1.00 0.39 C ATOM 1122 C LEU A 78 -7.456 -6.770 -16.626 1.00 0.42 C ATOM 1123 O LEU A 78 -7.491 -7.428 -17.650 1.00 0.57 O ATOM 1124 CB LEU A 78 -9.434 -5.320 -16.145 1.00 0.44 C ATOM 1125 CG LEU A 78 -10.860 -5.335 -15.585 1.00 0.49 C ATOM 1126 CD1 LEU A 78 -11.443 -3.922 -15.626 1.00 0.58 C ATOM 1127 CD2 LEU A 78 -11.735 -6.267 -16.429 1.00 0.67 C ATOM 0 H LEU A 78 -8.456 -5.638 -13.867 1.00 0.33 H new ATOM 0 HA LEU A 78 -9.360 -7.473 -15.915 1.00 0.39 H new ATOM 0 HB2 LEU A 78 -8.891 -4.457 -15.759 1.00 0.44 H new ATOM 0 HB3 LEU A 78 -9.460 -5.221 -17.230 1.00 0.44 H new ATOM 0 HG LEU A 78 -10.836 -5.690 -14.555 1.00 0.49 H new ATOM 0 HD11 LEU A 78 -12.457 -3.935 -15.227 1.00 0.58 H new ATOM 0 HD12 LEU A 78 -10.825 -3.256 -15.024 1.00 0.58 H new ATOM 0 HD13 LEU A 78 -11.463 -3.566 -16.656 1.00 0.58 H new ATOM 0 HD21 LEU A 78 -12.749 -6.276 -16.029 1.00 0.67 H new ATOM 0 HD22 LEU A 78 -11.755 -5.913 -17.460 1.00 0.67 H new ATOM 0 HD23 LEU A 78 -11.325 -7.276 -16.400 1.00 0.67 H new ATOM 1139 N LYS A 79 -6.358 -6.160 -16.240 1.00 0.40 N ATOM 1140 CA LYS A 79 -5.107 -6.259 -17.057 1.00 0.47 C ATOM 1141 C LYS A 79 -4.306 -7.506 -16.668 1.00 0.45 C ATOM 1142 O LYS A 79 -3.926 -8.292 -17.517 1.00 0.60 O ATOM 1143 CB LYS A 79 -4.243 -5.014 -16.820 1.00 0.62 C ATOM 1144 CG LYS A 79 -4.354 -4.073 -18.024 1.00 1.00 C ATOM 1145 CD LYS A 79 -2.953 -3.642 -18.474 1.00 1.20 C ATOM 1146 CE LYS A 79 -2.264 -2.857 -17.350 1.00 2.06 C ATOM 1147 NZ LYS A 79 -0.783 -2.937 -17.516 1.00 2.57 N ATOM 0 H LYS A 79 -6.276 -5.598 -15.393 1.00 0.40 H new ATOM 0 HA LYS A 79 -5.383 -6.330 -18.109 1.00 0.47 H new ATOM 0 HB2 LYS A 79 -4.567 -4.501 -15.914 1.00 0.62 H new ATOM 0 HB3 LYS A 79 -3.204 -5.304 -16.667 1.00 0.62 H new ATOM 0 HG2 LYS A 79 -4.871 -4.574 -18.842 1.00 1.00 H new ATOM 0 HG3 LYS A 79 -4.947 -3.197 -17.760 1.00 1.00 H new ATOM 0 HD2 LYS A 79 -2.359 -4.518 -18.735 1.00 1.20 H new ATOM 0 HD3 LYS A 79 -3.023 -3.026 -19.370 1.00 1.20 H new ATOM 0 HE2 LYS A 79 -2.586 -1.816 -17.370 1.00 2.06 H new ATOM 0 HE3 LYS A 79 -2.553 -3.262 -16.380 1.00 2.06 H new ATOM 0 HZ1 LYS A 79 -0.319 -2.404 -16.753 1.00 2.57 H new ATOM 0 HZ2 LYS A 79 -0.482 -3.932 -17.476 1.00 2.57 H new ATOM 0 HZ3 LYS A 79 -0.514 -2.531 -18.435 1.00 2.57 H new ATOM 1161 N HIS A 80 -4.023 -7.676 -15.397 1.00 0.47 N ATOM 1162 CA HIS A 80 -3.217 -8.856 -14.954 1.00 0.62 C ATOM 1163 C HIS A 80 -4.135 -9.990 -14.480 1.00 0.59 C ATOM 1164 O HIS A 80 -4.177 -11.046 -15.084 1.00 0.79 O ATOM 1165 CB HIS A 80 -2.285 -8.429 -13.814 1.00 0.76 C ATOM 1166 CG HIS A 80 -1.491 -7.222 -14.242 1.00 0.95 C ATOM 1167 ND1 HIS A 80 -0.571 -7.273 -15.278 1.00 1.16 N ATOM 1168 CD2 HIS A 80 -1.483 -5.924 -13.797 1.00 1.11 C ATOM 1169 CE1 HIS A 80 -0.053 -6.039 -15.421 1.00 1.36 C ATOM 1170 NE2 HIS A 80 -0.575 -5.178 -14.543 1.00 1.35 N ATOM 0 H HIS A 80 -4.316 -7.048 -14.649 1.00 0.47 H new ATOM 0 HA HIS A 80 -2.628 -9.221 -15.796 1.00 0.62 H new ATOM 0 HB2 HIS A 80 -2.866 -8.198 -12.921 1.00 0.76 H new ATOM 0 HB3 HIS A 80 -1.613 -9.247 -13.554 1.00 0.76 H new ATOM 0 HD1 HIS A 80 -0.331 -8.096 -15.831 1.00 1.16 H new ATOM 0 HD2 HIS A 80 -2.089 -5.539 -12.990 1.00 1.11 H new ATOM 0 HE1 HIS A 80 0.694 -5.777 -16.156 1.00 1.36 H new ATOM 1178 N GLY A 81 -4.864 -9.784 -13.408 1.00 0.45 N ATOM 1179 CA GLY A 81 -5.773 -10.856 -12.896 1.00 0.47 C ATOM 1180 C GLY A 81 -5.651 -10.961 -11.373 1.00 0.41 C ATOM 1181 O GLY A 81 -5.917 -10.011 -10.659 1.00 0.57 O ATOM 0 H GLY A 81 -4.868 -8.920 -12.867 1.00 0.45 H new ATOM 0 HA2 GLY A 81 -6.804 -10.633 -13.172 1.00 0.47 H new ATOM 0 HA3 GLY A 81 -5.519 -11.811 -13.356 1.00 0.47 H new ATOM 1185 N SER A 82 -5.258 -12.111 -10.873 1.00 0.37 N ATOM 1186 CA SER A 82 -5.125 -12.289 -9.390 1.00 0.38 C ATOM 1187 C SER A 82 -3.739 -12.853 -9.040 1.00 0.36 C ATOM 1188 O SER A 82 -3.066 -12.339 -8.164 1.00 0.40 O ATOM 1189 CB SER A 82 -6.213 -13.248 -8.887 1.00 0.46 C ATOM 1190 OG SER A 82 -6.182 -14.453 -9.644 1.00 0.50 O ATOM 0 H SER A 82 -5.024 -12.934 -11.428 1.00 0.37 H new ATOM 0 HA SER A 82 -5.241 -11.318 -8.908 1.00 0.38 H new ATOM 0 HB2 SER A 82 -6.057 -13.467 -7.831 1.00 0.46 H new ATOM 0 HB3 SER A 82 -7.193 -12.778 -8.974 1.00 0.46 H new ATOM 0 HG SER A 82 -6.877 -15.062 -9.318 1.00 0.50 H new ATOM 1196 N GLU A 83 -3.315 -13.907 -9.705 1.00 0.41 N ATOM 1197 CA GLU A 83 -1.978 -14.514 -9.404 1.00 0.49 C ATOM 1198 C GLU A 83 -0.865 -13.483 -9.642 1.00 0.43 C ATOM 1199 O GLU A 83 -0.624 -13.062 -10.759 1.00 0.55 O ATOM 1200 CB GLU A 83 -1.749 -15.735 -10.302 1.00 0.70 C ATOM 1201 CG GLU A 83 -1.515 -16.975 -9.433 1.00 0.84 C ATOM 1202 CD GLU A 83 -0.072 -16.982 -8.915 1.00 0.83 C ATOM 1203 OE1 GLU A 83 0.779 -17.533 -9.597 1.00 1.01 O ATOM 1204 OE2 GLU A 83 0.157 -16.439 -7.846 1.00 0.90 O ATOM 0 H GLU A 83 -3.841 -14.372 -10.445 1.00 0.41 H new ATOM 0 HA GLU A 83 -1.958 -14.824 -8.359 1.00 0.49 H new ATOM 0 HB2 GLU A 83 -2.612 -15.890 -10.950 1.00 0.70 H new ATOM 0 HB3 GLU A 83 -0.890 -15.566 -10.951 1.00 0.70 H new ATOM 0 HG2 GLU A 83 -2.212 -16.980 -8.595 1.00 0.84 H new ATOM 0 HG3 GLU A 83 -1.707 -17.878 -10.012 1.00 0.84 H new ATOM 1211 N LEU A 84 -0.194 -13.077 -8.588 1.00 0.37 N ATOM 1212 CA LEU A 84 0.906 -12.070 -8.722 1.00 0.38 C ATOM 1213 C LEU A 84 2.090 -12.464 -7.824 1.00 0.36 C ATOM 1214 O LEU A 84 1.992 -13.368 -7.012 1.00 0.41 O ATOM 1215 CB LEU A 84 0.388 -10.691 -8.295 1.00 0.44 C ATOM 1216 CG LEU A 84 -0.631 -10.175 -9.319 1.00 0.49 C ATOM 1217 CD1 LEU A 84 -1.597 -9.205 -8.635 1.00 0.59 C ATOM 1218 CD2 LEU A 84 0.104 -9.451 -10.451 1.00 0.65 C ATOM 0 H LEU A 84 -0.363 -13.403 -7.636 1.00 0.37 H new ATOM 0 HA LEU A 84 1.236 -12.038 -9.760 1.00 0.38 H new ATOM 0 HB2 LEU A 84 -0.074 -10.756 -7.310 1.00 0.44 H new ATOM 0 HB3 LEU A 84 1.219 -9.991 -8.212 1.00 0.44 H new ATOM 0 HG LEU A 84 -1.191 -11.016 -9.729 1.00 0.49 H new ATOM 0 HD11 LEU A 84 -2.321 -8.839 -9.363 1.00 0.59 H new ATOM 0 HD12 LEU A 84 -2.121 -9.720 -7.830 1.00 0.59 H new ATOM 0 HD13 LEU A 84 -1.038 -8.364 -8.224 1.00 0.59 H new ATOM 0 HD21 LEU A 84 -0.620 -9.084 -11.179 1.00 0.65 H new ATOM 0 HD22 LEU A 84 0.665 -8.611 -10.042 1.00 0.65 H new ATOM 0 HD23 LEU A 84 0.791 -10.142 -10.939 1.00 0.65 H new ATOM 1230 N ARG A 85 3.204 -11.784 -7.963 1.00 0.38 N ATOM 1231 CA ARG A 85 4.404 -12.096 -7.124 1.00 0.38 C ATOM 1232 C ARG A 85 4.827 -10.840 -6.351 1.00 0.35 C ATOM 1233 O ARG A 85 4.695 -9.731 -6.836 1.00 0.40 O ATOM 1234 CB ARG A 85 5.556 -12.551 -8.026 1.00 0.42 C ATOM 1235 CG ARG A 85 5.974 -13.974 -7.649 1.00 0.55 C ATOM 1236 CD ARG A 85 6.333 -14.755 -8.917 1.00 0.65 C ATOM 1237 NE ARG A 85 5.177 -15.608 -9.328 1.00 0.71 N ATOM 1238 CZ ARG A 85 4.012 -15.066 -9.581 1.00 0.65 C ATOM 1239 NH1 ARG A 85 3.901 -14.156 -10.513 1.00 0.77 N ATOM 1240 NH2 ARG A 85 2.960 -15.437 -8.899 1.00 0.68 N ATOM 0 H ARG A 85 3.333 -11.021 -8.627 1.00 0.38 H new ATOM 0 HA ARG A 85 4.158 -12.892 -6.421 1.00 0.38 H new ATOM 0 HB2 ARG A 85 5.248 -12.517 -9.071 1.00 0.42 H new ATOM 0 HB3 ARG A 85 6.403 -11.873 -7.921 1.00 0.42 H new ATOM 0 HG2 ARG A 85 6.828 -13.946 -6.972 1.00 0.55 H new ATOM 0 HG3 ARG A 85 5.163 -14.474 -7.119 1.00 0.55 H new ATOM 0 HD2 ARG A 85 6.591 -14.065 -9.720 1.00 0.65 H new ATOM 0 HD3 ARG A 85 7.210 -15.377 -8.737 1.00 0.65 H new ATOM 0 HE ARG A 85 5.296 -16.618 -9.412 1.00 0.71 H new ATOM 0 HH11 ARG A 85 4.722 -13.867 -11.044 1.00 0.77 H new ATOM 0 HH12 ARG A 85 2.993 -13.735 -10.709 1.00 0.77 H new ATOM 0 HH21 ARG A 85 3.048 -16.147 -8.172 1.00 0.68 H new ATOM 0 HH22 ARG A 85 2.051 -15.016 -9.094 1.00 0.68 H new ATOM 1254 N LEU A 86 5.337 -11.007 -5.152 1.00 0.36 N ATOM 1255 CA LEU A 86 5.768 -9.825 -4.345 1.00 0.36 C ATOM 1256 C LEU A 86 7.296 -9.687 -4.391 1.00 0.36 C ATOM 1257 O LEU A 86 8.025 -10.650 -4.219 1.00 0.52 O ATOM 1258 CB LEU A 86 5.311 -9.993 -2.893 1.00 0.43 C ATOM 1259 CG LEU A 86 5.194 -8.614 -2.234 1.00 0.53 C ATOM 1260 CD1 LEU A 86 3.719 -8.230 -2.100 1.00 0.68 C ATOM 1261 CD2 LEU A 86 5.839 -8.653 -0.848 1.00 0.75 C ATOM 0 H LEU A 86 5.472 -11.911 -4.700 1.00 0.36 H new ATOM 0 HA LEU A 86 5.315 -8.927 -4.764 1.00 0.36 H new ATOM 0 HB2 LEU A 86 4.350 -10.507 -2.860 1.00 0.43 H new ATOM 0 HB3 LEU A 86 6.022 -10.611 -2.345 1.00 0.43 H new ATOM 0 HG LEU A 86 5.704 -7.875 -2.852 1.00 0.53 H new ATOM 0 HD11 LEU A 86 3.640 -7.249 -1.631 1.00 0.68 H new ATOM 0 HD12 LEU A 86 3.260 -8.198 -3.088 1.00 0.68 H new ATOM 0 HD13 LEU A 86 3.205 -8.969 -1.485 1.00 0.68 H new ATOM 0 HD21 LEU A 86 5.755 -7.672 -0.380 1.00 0.75 H new ATOM 0 HD22 LEU A 86 5.331 -9.394 -0.231 1.00 0.75 H new ATOM 0 HD23 LEU A 86 6.891 -8.921 -0.944 1.00 0.75 H new ATOM 1273 N ILE A 87 7.774 -8.487 -4.622 1.00 0.36 N ATOM 1274 CA ILE A 87 9.249 -8.242 -4.688 1.00 0.39 C ATOM 1275 C ILE A 87 9.543 -6.813 -4.191 1.00 0.40 C ATOM 1276 O ILE A 87 8.857 -5.881 -4.568 1.00 0.42 O ATOM 1277 CB ILE A 87 9.728 -8.405 -6.143 1.00 0.44 C ATOM 1278 CG1 ILE A 87 11.207 -8.009 -6.251 1.00 0.53 C ATOM 1279 CG2 ILE A 87 8.890 -7.515 -7.069 1.00 0.57 C ATOM 1280 CD1 ILE A 87 11.775 -8.480 -7.592 1.00 0.61 C ATOM 0 H ILE A 87 7.198 -7.658 -4.769 1.00 0.36 H new ATOM 0 HA ILE A 87 9.776 -8.959 -4.058 1.00 0.39 H new ATOM 0 HB ILE A 87 9.611 -9.447 -6.441 1.00 0.44 H new ATOM 0 HG12 ILE A 87 11.311 -6.928 -6.162 1.00 0.53 H new ATOM 0 HG13 ILE A 87 11.772 -8.452 -5.431 1.00 0.53 H new ATOM 0 HG21 ILE A 87 9.233 -7.634 -8.097 1.00 0.57 H new ATOM 0 HG22 ILE A 87 7.841 -7.804 -7.001 1.00 0.57 H new ATOM 0 HG23 ILE A 87 8.999 -6.473 -6.769 1.00 0.57 H new ATOM 0 HD11 ILE A 87 12.825 -8.196 -7.662 1.00 0.61 H new ATOM 0 HD12 ILE A 87 11.687 -9.564 -7.664 1.00 0.61 H new ATOM 0 HD13 ILE A 87 11.218 -8.016 -8.406 1.00 0.61 H new ATOM 1292 N PRO A 88 10.555 -6.682 -3.358 1.00 0.44 N ATOM 1293 CA PRO A 88 10.954 -5.375 -2.797 1.00 0.49 C ATOM 1294 C PRO A 88 11.669 -4.525 -3.858 1.00 0.50 C ATOM 1295 O PRO A 88 12.862 -4.655 -4.076 1.00 0.59 O ATOM 1296 CB PRO A 88 11.889 -5.748 -1.640 1.00 0.59 C ATOM 1297 CG PRO A 88 12.406 -7.174 -1.938 1.00 0.61 C ATOM 1298 CD PRO A 88 11.393 -7.814 -2.905 1.00 0.51 C ATOM 0 HA PRO A 88 10.109 -4.772 -2.465 1.00 0.49 H new ATOM 0 HB2 PRO A 88 12.717 -5.042 -1.567 1.00 0.59 H new ATOM 0 HB3 PRO A 88 11.359 -5.718 -0.688 1.00 0.59 H new ATOM 0 HG2 PRO A 88 13.400 -7.141 -2.384 1.00 0.61 H new ATOM 0 HG3 PRO A 88 12.488 -7.757 -1.020 1.00 0.61 H new ATOM 0 HD2 PRO A 88 11.894 -8.298 -3.743 1.00 0.51 H new ATOM 0 HD3 PRO A 88 10.795 -8.577 -2.407 1.00 0.51 H new