USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 550 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 TYR OH : rot -44:sc= 0.843 USER MOD Set 1.2: A 65 SER OG : rot 180:sc= 0.74 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.81 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -4:sc= 1.17 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.371 X(o=-0.37,f=-0.37) USER MOD Single : A 63 SER OG : rot 100:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 1.15 K(o=1.1,f=-0.43) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 70 N LEU A 3 4.652 0.750 5.920 1.00 0.00 N ATOM 71 CA LEU A 3 4.300 -0.511 6.625 1.00 0.00 C ATOM 72 C LEU A 3 4.488 -1.775 5.732 1.00 0.00 C ATOM 73 O LEU A 3 4.739 -1.626 4.537 1.00 0.00 O ATOM 74 CB LEU A 3 2.850 -0.444 7.172 1.00 0.00 C ATOM 75 CG LEU A 3 2.444 0.858 7.911 1.00 0.00 C ATOM 76 CD1 LEU A 3 1.799 1.886 6.970 1.00 0.00 C ATOM 77 CD2 LEU A 3 1.439 0.586 9.031 1.00 0.00 C ATOM 0 HA LEU A 3 4.994 -0.608 7.460 1.00 0.00 H new ATOM 0 HB2 LEU A 3 2.164 -0.589 6.337 1.00 0.00 H new ATOM 0 HB3 LEU A 3 2.704 -1.282 7.854 1.00 0.00 H new ATOM 0 HG LEU A 3 3.374 1.255 8.318 1.00 0.00 H new ATOM 0 HD11 LEU A 3 1.533 2.779 7.535 1.00 0.00 H new ATOM 0 HD12 LEU A 3 2.504 2.151 6.183 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.901 1.458 6.524 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.181 1.523 9.524 1.00 0.00 H new ATOM 0 HD22 LEU A 3 0.539 0.137 8.611 1.00 0.00 H new ATOM 0 HD23 LEU A 3 1.880 -0.096 9.758 1.00 0.00 H new ATOM 89 N ARG A 4 4.343 -3.007 6.278 1.00 0.00 N ATOM 90 CA ARG A 4 4.531 -4.308 5.575 1.00 0.00 C ATOM 91 C ARG A 4 3.257 -5.168 5.459 1.00 0.00 C ATOM 92 O ARG A 4 2.346 -5.006 6.269 1.00 0.00 O ATOM 93 CB ARG A 4 5.652 -5.141 6.237 1.00 0.00 C ATOM 94 CG ARG A 4 5.459 -5.568 7.701 1.00 0.00 C ATOM 95 CD ARG A 4 6.153 -4.614 8.689 1.00 0.00 C ATOM 96 NE ARG A 4 6.766 -5.351 9.806 1.00 0.00 N ATOM 97 CZ ARG A 4 6.166 -5.875 10.867 1.00 0.00 C ATOM 98 NH1 ARG A 4 4.874 -5.755 11.086 1.00 0.00 N ATOM 99 NH2 ARG A 4 6.881 -6.549 11.739 1.00 0.00 N ATOM 0 H ARG A 4 4.082 -3.131 7.256 1.00 0.00 H new ATOM 0 HA ARG A 4 4.811 -4.032 4.558 1.00 0.00 H new ATOM 0 HB2 ARG A 4 5.795 -6.043 5.641 1.00 0.00 H new ATOM 0 HB3 ARG A 4 6.577 -4.567 6.175 1.00 0.00 H new ATOM 0 HG2 ARG A 4 4.393 -5.608 7.927 1.00 0.00 H new ATOM 0 HG3 ARG A 4 5.852 -6.576 7.837 1.00 0.00 H new ATOM 0 HD2 ARG A 4 6.918 -4.040 8.166 1.00 0.00 H new ATOM 0 HD3 ARG A 4 5.428 -3.899 9.077 1.00 0.00 H new ATOM 0 HE ARG A 4 7.777 -5.474 9.758 1.00 0.00 H new ATOM 0 HH11 ARG A 4 4.290 -5.242 10.425 1.00 0.00 H new ATOM 0 HH12 ARG A 4 4.456 -6.175 11.916 1.00 0.00 H new ATOM 0 HH21 ARG A 4 7.884 -6.664 11.596 1.00 0.00 H new ATOM 0 HH22 ARG A 4 6.433 -6.957 12.559 1.00 0.00 H new ATOM 113 N ILE A 5 3.240 -6.183 4.566 1.00 0.00 N ATOM 114 CA ILE A 5 2.106 -7.132 4.429 1.00 0.00 C ATOM 115 C ILE A 5 1.758 -7.806 5.753 1.00 0.00 C ATOM 116 O ILE A 5 0.584 -8.006 6.044 1.00 0.00 O ATOM 117 CB ILE A 5 2.318 -8.211 3.332 1.00 0.00 C ATOM 118 CG1 ILE A 5 0.990 -8.794 2.796 1.00 0.00 C ATOM 119 CG2 ILE A 5 3.219 -9.385 3.762 1.00 0.00 C ATOM 120 CD1 ILE A 5 0.108 -7.773 2.065 1.00 0.00 C ATOM 0 H ILE A 5 4.008 -6.369 3.921 1.00 0.00 H new ATOM 0 HA ILE A 5 1.268 -6.512 4.113 1.00 0.00 H new ATOM 0 HB ILE A 5 2.827 -7.661 2.541 1.00 0.00 H new ATOM 0 HG12 ILE A 5 1.214 -9.616 2.117 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.427 -9.214 3.630 1.00 0.00 H new ATOM 0 HG21 ILE A 5 3.314 -10.092 2.938 1.00 0.00 H new ATOM 0 HG22 ILE A 5 4.205 -9.007 4.031 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.776 -9.888 4.622 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.804 -8.261 1.720 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -0.150 -6.961 2.746 1.00 0.00 H new ATOM 0 HD13 ILE A 5 0.650 -7.371 1.209 1.00 0.00 H new ATOM 132 N ARG A 6 2.772 -8.101 6.580 1.00 0.00 N ATOM 133 CA ARG A 6 2.588 -8.684 7.906 1.00 0.00 C ATOM 134 C ARG A 6 1.679 -7.810 8.771 1.00 0.00 C ATOM 135 O ARG A 6 0.794 -8.341 9.427 1.00 0.00 O ATOM 136 CB ARG A 6 3.947 -8.952 8.584 1.00 0.00 C ATOM 137 CG ARG A 6 3.973 -10.366 9.184 1.00 0.00 C ATOM 138 CD ARG A 6 5.158 -10.563 10.136 1.00 0.00 C ATOM 139 NE ARG A 6 5.118 -11.905 10.747 1.00 0.00 N ATOM 140 CZ ARG A 6 5.919 -12.379 11.694 1.00 0.00 C ATOM 141 NH1 ARG A 6 6.914 -11.673 12.179 1.00 0.00 N ATOM 142 NH2 ARG A 6 5.725 -13.584 12.179 1.00 0.00 N ATOM 0 H ARG A 6 3.750 -7.938 6.340 1.00 0.00 H new ATOM 0 HA ARG A 6 2.090 -9.646 7.789 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.752 -8.843 7.857 1.00 0.00 H new ATOM 0 HB3 ARG A 6 4.123 -8.214 9.367 1.00 0.00 H new ATOM 0 HG2 ARG A 6 3.042 -10.549 9.721 1.00 0.00 H new ATOM 0 HG3 ARG A 6 4.028 -11.100 8.380 1.00 0.00 H new ATOM 0 HD2 ARG A 6 6.094 -10.433 9.592 1.00 0.00 H new ATOM 0 HD3 ARG A 6 5.135 -9.802 10.916 1.00 0.00 H new ATOM 0 HE ARG A 6 4.396 -12.538 10.404 1.00 0.00 H new ATOM 0 HH11 ARG A 6 7.090 -10.731 11.828 1.00 0.00 H new ATOM 0 HH12 ARG A 6 7.511 -12.066 12.906 1.00 0.00 H new ATOM 0 HH21 ARG A 6 4.958 -14.158 11.828 1.00 0.00 H new ATOM 0 HH22 ARG A 6 6.341 -13.946 12.906 1.00 0.00 H new ATOM 156 N THR A 7 1.860 -6.484 8.727 1.00 0.00 N ATOM 157 CA THR A 7 1.030 -5.484 9.411 1.00 0.00 C ATOM 158 C THR A 7 -0.398 -5.459 8.852 1.00 0.00 C ATOM 159 O THR A 7 -1.353 -5.359 9.618 1.00 0.00 O ATOM 160 CB THR A 7 1.657 -4.087 9.282 1.00 0.00 C ATOM 161 OG1 THR A 7 2.977 -4.069 9.795 1.00 0.00 O ATOM 162 CG2 THR A 7 0.889 -3.016 10.054 1.00 0.00 C ATOM 0 H THR A 7 2.619 -6.061 8.193 1.00 0.00 H new ATOM 0 HA THR A 7 0.982 -5.765 10.463 1.00 0.00 H new ATOM 0 HB THR A 7 1.633 -3.868 8.214 1.00 0.00 H new ATOM 0 HG1 THR A 7 3.353 -3.169 9.699 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.380 -2.052 9.924 1.00 0.00 H new ATOM 0 HG22 THR A 7 -0.132 -2.957 9.677 1.00 0.00 H new ATOM 0 HG23 THR A 7 0.870 -3.274 11.113 1.00 0.00 H new ATOM 170 N ILE A 8 -0.554 -5.570 7.527 1.00 0.00 N ATOM 171 CA ILE A 8 -1.867 -5.650 6.871 1.00 0.00 C ATOM 172 C ILE A 8 -2.590 -6.917 7.345 1.00 0.00 C ATOM 173 O ILE A 8 -3.714 -6.856 7.844 1.00 0.00 O ATOM 174 CB ILE A 8 -1.738 -5.598 5.326 1.00 0.00 C ATOM 175 CG1 ILE A 8 -0.885 -4.383 4.899 1.00 0.00 C ATOM 176 CG2 ILE A 8 -3.141 -5.533 4.691 1.00 0.00 C ATOM 177 CD1 ILE A 8 -0.615 -4.261 3.396 1.00 0.00 C ATOM 0 H ILE A 8 0.230 -5.607 6.876 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.461 -4.781 7.154 1.00 0.00 H new ATOM 0 HB ILE A 8 -1.237 -6.501 4.977 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -1.385 -3.474 5.235 1.00 0.00 H new ATOM 0 HG13 ILE A 8 0.072 -4.432 5.419 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.048 -5.497 3.606 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.711 -6.417 4.977 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.658 -4.639 5.041 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -0.009 -3.375 3.206 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -0.083 -5.147 3.049 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -1.561 -4.174 2.862 1.00 0.00 H new ATOM 189 N ALA A 9 -1.938 -8.073 7.223 1.00 0.00 N ATOM 190 CA ALA A 9 -2.469 -9.358 7.651 1.00 0.00 C ATOM 191 C ALA A 9 -2.816 -9.373 9.150 1.00 0.00 C ATOM 192 O ALA A 9 -3.903 -9.827 9.518 1.00 0.00 O ATOM 193 CB ALA A 9 -1.464 -10.448 7.274 1.00 0.00 C ATOM 0 H ALA A 9 -1.006 -8.139 6.814 1.00 0.00 H new ATOM 0 HA ALA A 9 -3.412 -9.549 7.138 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -1.846 -11.419 7.588 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.315 -10.448 6.194 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.514 -10.254 7.771 1.00 0.00 H new ATOM 199 N ARG A 10 -1.940 -8.799 9.992 1.00 0.00 N ATOM 200 CA ARG A 10 -2.065 -8.635 11.453 1.00 0.00 C ATOM 201 C ARG A 10 -3.384 -8.038 11.949 1.00 0.00 C ATOM 202 O ARG A 10 -3.699 -8.238 13.116 1.00 0.00 O ATOM 203 CB ARG A 10 -0.891 -7.784 11.980 1.00 0.00 C ATOM 204 CG ARG A 10 0.305 -8.627 12.434 1.00 0.00 C ATOM 205 CD ARG A 10 0.066 -9.126 13.861 1.00 0.00 C ATOM 206 NE ARG A 10 1.022 -10.177 14.239 1.00 0.00 N ATOM 207 CZ ARG A 10 1.106 -10.754 15.432 1.00 0.00 C ATOM 208 NH1 ARG A 10 0.359 -10.362 16.438 1.00 0.00 N ATOM 209 NH2 ARG A 10 1.942 -11.743 15.630 1.00 0.00 N ATOM 0 H ARG A 10 -1.063 -8.409 9.646 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.045 -9.650 11.850 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -0.568 -7.097 11.198 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.237 -7.176 12.815 1.00 0.00 H new ATOM 0 HG2 ARG A 10 0.444 -9.473 11.760 1.00 0.00 H new ATOM 0 HG3 ARG A 10 1.218 -8.033 12.393 1.00 0.00 H new ATOM 0 HD2 ARG A 10 0.150 -8.291 14.557 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -0.950 -9.511 13.946 1.00 0.00 H new ATOM 0 HE ARG A 10 1.677 -10.490 13.523 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -0.305 -9.598 16.313 1.00 0.00 H new ATOM 0 HH12 ARG A 10 0.443 -10.822 17.345 1.00 0.00 H new ATOM 0 HH21 ARG A 10 2.532 -12.073 14.866 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.003 -12.183 16.548 1.00 0.00 H new ATOM 223 N MET A 11 -4.174 -7.389 11.084 1.00 0.00 N ATOM 224 CA MET A 11 -5.569 -7.022 11.359 1.00 0.00 C ATOM 225 C MET A 11 -6.405 -8.198 11.892 1.00 0.00 C ATOM 226 O MET A 11 -7.245 -7.996 12.762 1.00 0.00 O ATOM 227 CB MET A 11 -6.222 -6.499 10.070 1.00 0.00 C ATOM 228 CG MET A 11 -5.818 -5.064 9.715 1.00 0.00 C ATOM 229 SD MET A 11 -6.795 -3.780 10.554 1.00 0.00 S ATOM 230 CE MET A 11 -5.517 -2.874 11.472 1.00 0.00 C ATOM 0 H MET A 11 -3.857 -7.100 10.159 1.00 0.00 H new ATOM 0 HA MET A 11 -5.548 -6.254 12.133 1.00 0.00 H new ATOM 0 HB2 MET A 11 -5.954 -7.158 9.244 1.00 0.00 H new ATOM 0 HB3 MET A 11 -7.306 -6.546 10.177 1.00 0.00 H new ATOM 0 HG2 MET A 11 -4.766 -4.924 9.963 1.00 0.00 H new ATOM 0 HG3 MET A 11 -5.912 -4.929 8.637 1.00 0.00 H new ATOM 0 HE1 MET A 11 -5.979 -2.060 12.030 1.00 0.00 H new ATOM 0 HE2 MET A 11 -5.017 -3.551 12.165 1.00 0.00 H new ATOM 0 HE3 MET A 11 -4.787 -2.466 10.773 1.00 0.00 H new ATOM 240 N THR A 12 -6.210 -9.411 11.349 1.00 0.00 N ATOM 241 CA THR A 12 -6.990 -10.604 11.741 1.00 0.00 C ATOM 242 C THR A 12 -6.401 -11.952 11.290 1.00 0.00 C ATOM 243 O THR A 12 -6.969 -12.987 11.636 1.00 0.00 O ATOM 244 CB THR A 12 -8.446 -10.487 11.227 1.00 0.00 C ATOM 245 OG1 THR A 12 -9.184 -11.658 11.499 1.00 0.00 O ATOM 246 CG2 THR A 12 -8.524 -10.244 9.720 1.00 0.00 C ATOM 0 H THR A 12 -5.511 -9.595 10.629 1.00 0.00 H new ATOM 0 HA THR A 12 -6.954 -10.612 12.830 1.00 0.00 H new ATOM 0 HB THR A 12 -8.866 -9.631 11.756 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.595 -12.329 11.904 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.568 -10.171 9.417 1.00 0.00 H new ATOM 0 HG22 THR A 12 -8.009 -9.316 9.474 1.00 0.00 H new ATOM 0 HG23 THR A 12 -8.051 -11.072 9.193 1.00 0.00 H new ATOM 254 N GLY A 13 -5.353 -11.987 10.462 1.00 0.00 N ATOM 255 CA GLY A 13 -4.782 -13.201 9.872 1.00 0.00 C ATOM 256 C GLY A 13 -5.672 -13.926 8.849 1.00 0.00 C ATOM 257 O GLY A 13 -5.132 -14.591 7.973 1.00 0.00 O ATOM 0 H GLY A 13 -4.862 -11.141 10.174 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.841 -12.940 9.387 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -4.544 -13.897 10.677 1.00 0.00 H new ATOM 261 N ILE A 14 -7.005 -13.774 8.880 1.00 0.00 N ATOM 262 CA ILE A 14 -7.925 -14.466 7.957 1.00 0.00 C ATOM 263 C ILE A 14 -7.599 -14.136 6.496 1.00 0.00 C ATOM 264 O ILE A 14 -7.437 -15.028 5.665 1.00 0.00 O ATOM 265 CB ILE A 14 -9.405 -14.209 8.351 1.00 0.00 C ATOM 266 CG1 ILE A 14 -10.260 -15.485 8.184 1.00 0.00 C ATOM 267 CG2 ILE A 14 -10.082 -12.998 7.676 1.00 0.00 C ATOM 268 CD1 ILE A 14 -10.673 -15.848 6.750 1.00 0.00 C ATOM 0 H ILE A 14 -7.479 -13.166 9.548 1.00 0.00 H new ATOM 0 HA ILE A 14 -7.777 -15.542 8.051 1.00 0.00 H new ATOM 0 HB ILE A 14 -9.353 -13.937 9.405 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -9.706 -16.325 8.603 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -11.165 -15.371 8.781 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -11.111 -12.915 8.025 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -9.538 -12.088 7.931 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -10.075 -13.134 6.594 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -11.268 -16.761 6.763 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -11.263 -15.036 6.325 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -9.781 -16.005 6.143 1.00 0.00 H new ATOM 280 N ARG A 15 -7.406 -12.842 6.202 1.00 0.00 N ATOM 281 CA ARG A 15 -6.930 -12.390 4.900 1.00 0.00 C ATOM 282 C ARG A 15 -5.494 -12.816 4.606 1.00 0.00 C ATOM 283 O ARG A 15 -5.157 -12.807 3.438 1.00 0.00 O ATOM 284 CB ARG A 15 -7.100 -10.871 4.712 1.00 0.00 C ATOM 285 CG ARG A 15 -6.280 -10.026 5.705 1.00 0.00 C ATOM 286 CD ARG A 15 -7.151 -9.435 6.816 1.00 0.00 C ATOM 287 NE ARG A 15 -7.841 -8.212 6.386 1.00 0.00 N ATOM 288 CZ ARG A 15 -7.302 -7.013 6.228 1.00 0.00 C ATOM 289 NH1 ARG A 15 -6.055 -6.729 6.506 1.00 0.00 N ATOM 290 NH2 ARG A 15 -8.027 -6.033 5.774 1.00 0.00 N ATOM 0 H ARG A 15 -7.577 -12.085 6.864 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.566 -12.891 4.170 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -6.808 -10.605 3.696 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -8.155 -10.617 4.818 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -5.499 -10.644 6.148 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -5.782 -9.219 5.168 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -7.887 -10.174 7.131 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -6.530 -9.214 7.684 1.00 0.00 H new ATOM 0 HE ARG A 15 -8.838 -8.295 6.189 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -5.435 -7.454 6.868 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -5.703 -5.783 6.361 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -9.008 -6.189 5.541 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -7.615 -5.108 5.651 1.00 0.00 H new ATOM 304 N GLU A 16 -4.647 -13.206 5.571 1.00 0.00 N ATOM 305 CA GLU A 16 -3.236 -13.547 5.306 1.00 0.00 C ATOM 306 C GLU A 16 -3.122 -14.617 4.228 1.00 0.00 C ATOM 307 O GLU A 16 -2.437 -14.394 3.232 1.00 0.00 O ATOM 308 CB GLU A 16 -2.498 -14.010 6.572 1.00 0.00 C ATOM 309 CG GLU A 16 -0.970 -13.978 6.374 1.00 0.00 C ATOM 310 CD GLU A 16 -0.308 -15.276 6.843 1.00 0.00 C ATOM 311 OE1 GLU A 16 -0.101 -15.392 8.071 1.00 0.00 O ATOM 312 OE2 GLU A 16 -0.018 -16.127 5.967 1.00 0.00 O ATOM 0 H GLU A 16 -4.916 -13.294 6.551 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.760 -12.631 4.956 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.772 -13.369 7.410 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.812 -15.022 6.829 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.744 -13.815 5.320 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.550 -13.136 6.925 1.00 0.00 H new ATOM 319 N ALA A 17 -3.890 -15.704 4.387 1.00 0.00 N ATOM 320 CA ALA A 17 -4.038 -16.811 3.445 1.00 0.00 C ATOM 321 C ALA A 17 -4.453 -16.370 2.030 1.00 0.00 C ATOM 322 O ALA A 17 -4.192 -17.086 1.066 1.00 0.00 O ATOM 323 CB ALA A 17 -5.078 -17.775 4.030 1.00 0.00 C ATOM 0 H ALA A 17 -4.455 -15.837 5.226 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.066 -17.289 3.322 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.216 -18.617 3.352 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -4.732 -18.140 4.997 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -6.026 -17.253 4.158 1.00 0.00 H new ATOM 329 N THR A 18 -5.062 -15.186 1.913 1.00 0.00 N ATOM 330 CA THR A 18 -5.527 -14.528 0.692 1.00 0.00 C ATOM 331 C THR A 18 -4.503 -13.495 0.185 1.00 0.00 C ATOM 332 O THR A 18 -4.203 -13.496 -1.003 1.00 0.00 O ATOM 333 CB THR A 18 -6.923 -13.946 0.969 1.00 0.00 C ATOM 334 OG1 THR A 18 -7.861 -14.990 0.849 1.00 0.00 O ATOM 335 CG2 THR A 18 -7.361 -12.844 0.023 1.00 0.00 C ATOM 0 H THR A 18 -5.257 -14.619 2.738 1.00 0.00 H new ATOM 0 HA THR A 18 -5.616 -15.243 -0.126 1.00 0.00 H new ATOM 0 HB THR A 18 -6.871 -13.506 1.965 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.761 -14.643 1.023 1.00 0.00 H new ATOM 0 HG21 THR A 18 -8.357 -12.500 0.301 1.00 0.00 H new ATOM 0 HG22 THR A 18 -6.660 -12.012 0.084 1.00 0.00 H new ATOM 0 HG23 THR A 18 -7.381 -13.227 -0.997 1.00 0.00 H new ATOM 343 N LEU A 19 -3.900 -12.681 1.061 1.00 0.00 N ATOM 344 CA LEU A 19 -2.821 -11.725 0.787 1.00 0.00 C ATOM 345 C LEU A 19 -1.609 -12.440 0.164 1.00 0.00 C ATOM 346 O LEU A 19 -1.179 -12.102 -0.941 1.00 0.00 O ATOM 347 CB LEU A 19 -2.403 -11.020 2.098 1.00 0.00 C ATOM 348 CG LEU A 19 -3.441 -10.108 2.788 1.00 0.00 C ATOM 349 CD1 LEU A 19 -2.991 -9.821 4.228 1.00 0.00 C ATOM 350 CD2 LEU A 19 -3.682 -8.806 2.030 1.00 0.00 C ATOM 0 H LEU A 19 -4.171 -12.673 2.044 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.184 -10.981 0.078 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.106 -11.789 2.811 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.517 -10.420 1.888 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.393 -10.639 2.795 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.723 -9.177 4.716 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.909 -10.759 4.777 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.022 -9.323 4.214 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.420 -8.206 2.562 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.748 -8.250 1.956 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.050 -9.031 1.029 1.00 0.00 H new ATOM 362 N ARG A 20 -1.081 -13.464 0.857 1.00 0.00 N ATOM 363 CA ARG A 20 0.033 -14.295 0.369 1.00 0.00 C ATOM 364 C ARG A 20 -0.325 -15.086 -0.888 1.00 0.00 C ATOM 365 O ARG A 20 0.550 -15.421 -1.678 1.00 0.00 O ATOM 366 CB ARG A 20 0.504 -15.264 1.467 1.00 0.00 C ATOM 367 CG ARG A 20 -0.461 -16.447 1.693 1.00 0.00 C ATOM 368 CD ARG A 20 0.050 -17.415 2.750 1.00 0.00 C ATOM 369 NE ARG A 20 0.932 -18.406 2.114 1.00 0.00 N ATOM 370 CZ ARG A 20 1.479 -19.459 2.696 1.00 0.00 C ATOM 371 NH1 ARG A 20 1.400 -19.640 3.993 1.00 0.00 N ATOM 372 NH2 ARG A 20 2.107 -20.350 1.965 1.00 0.00 N ATOM 0 H ARG A 20 -1.418 -13.740 1.779 1.00 0.00 H new ATOM 0 HA ARG A 20 0.838 -13.608 0.108 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.487 -15.652 1.202 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.619 -14.715 2.401 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.436 -16.065 1.994 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.604 -16.981 0.754 1.00 0.00 H new ATOM 0 HD2 ARG A 20 0.592 -16.873 3.525 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.787 -17.915 3.237 1.00 0.00 H new ATOM 0 HE ARG A 20 1.142 -18.267 1.126 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.909 -18.960 4.574 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.830 -20.460 4.421 1.00 0.00 H new ATOM 0 HH21 ARG A 20 2.171 -20.227 0.954 1.00 0.00 H new ATOM 0 HH22 ARG A 20 2.532 -21.165 2.408 1.00 0.00 H new ATOM 386 N ALA A 21 -1.608 -15.426 -1.040 1.00 0.00 N ATOM 387 CA ALA A 21 -2.122 -16.087 -2.223 1.00 0.00 C ATOM 388 C ALA A 21 -2.019 -15.118 -3.388 1.00 0.00 C ATOM 389 O ALA A 21 -1.336 -15.425 -4.360 1.00 0.00 O ATOM 390 CB ALA A 21 -3.559 -16.550 -1.990 1.00 0.00 C ATOM 0 H ALA A 21 -2.320 -15.244 -0.332 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.538 -16.979 -2.450 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.932 -17.045 -2.887 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.585 -17.248 -1.153 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.187 -15.688 -1.763 1.00 0.00 H new ATOM 396 N TRP A 22 -2.648 -13.942 -3.269 1.00 0.00 N ATOM 397 CA TRP A 22 -2.619 -12.896 -4.274 1.00 0.00 C ATOM 398 C TRP A 22 -1.219 -12.545 -4.751 1.00 0.00 C ATOM 399 O TRP A 22 -1.073 -12.322 -5.945 1.00 0.00 O ATOM 400 CB TRP A 22 -3.286 -11.633 -3.780 1.00 0.00 C ATOM 401 CG TRP A 22 -4.721 -11.659 -3.387 1.00 0.00 C ATOM 402 CD1 TRP A 22 -5.668 -12.503 -3.844 1.00 0.00 C ATOM 403 CD2 TRP A 22 -5.399 -10.732 -2.492 1.00 0.00 C ATOM 404 NE1 TRP A 22 -6.895 -12.105 -3.359 1.00 0.00 N ATOM 405 CE2 TRP A 22 -6.790 -10.994 -2.555 1.00 0.00 C ATOM 406 CE3 TRP A 22 -4.986 -9.678 -1.654 1.00 0.00 C ATOM 407 CZ2 TRP A 22 -7.725 -10.221 -1.860 1.00 0.00 C ATOM 408 CZ3 TRP A 22 -5.917 -8.898 -0.946 1.00 0.00 C ATOM 409 CH2 TRP A 22 -7.290 -9.171 -1.038 1.00 0.00 C ATOM 0 H TRP A 22 -3.201 -13.695 -2.449 1.00 0.00 H new ATOM 0 HA TRP A 22 -3.169 -13.310 -5.119 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -2.719 -11.282 -2.918 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -3.176 -10.881 -4.561 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -5.493 -13.353 -4.486 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -7.774 -12.577 -3.571 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -3.932 -9.465 -1.553 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -8.780 -10.432 -1.956 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -5.573 -8.083 -0.327 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -8.003 -8.580 -0.483 1.00 0.00 H new ATOM 420 N GLU A 23 -0.206 -12.574 -3.879 1.00 0.00 N ATOM 421 CA GLU A 23 1.210 -12.448 -4.246 1.00 0.00 C ATOM 422 C GLU A 23 1.580 -13.319 -5.466 1.00 0.00 C ATOM 423 O GLU A 23 2.168 -12.809 -6.417 1.00 0.00 O ATOM 424 CB GLU A 23 2.059 -12.770 -3.003 1.00 0.00 C ATOM 425 CG GLU A 23 3.429 -12.078 -2.967 1.00 0.00 C ATOM 426 CD GLU A 23 4.468 -12.683 -3.920 1.00 0.00 C ATOM 427 OE1 GLU A 23 4.590 -13.931 -3.930 1.00 0.00 O ATOM 428 OE2 GLU A 23 5.165 -11.883 -4.583 1.00 0.00 O ATOM 0 H GLU A 23 -0.350 -12.688 -2.876 1.00 0.00 H new ATOM 0 HA GLU A 23 1.416 -11.426 -4.564 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.499 -12.484 -2.113 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.210 -13.848 -2.952 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.297 -11.024 -3.214 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.818 -12.121 -1.950 1.00 0.00 H new ATOM 435 N ARG A 24 1.139 -14.590 -5.496 1.00 0.00 N ATOM 436 CA ARG A 24 1.273 -15.500 -6.650 1.00 0.00 C ATOM 437 C ARG A 24 0.027 -15.597 -7.552 1.00 0.00 C ATOM 438 O ARG A 24 0.142 -16.102 -8.666 1.00 0.00 O ATOM 439 CB ARG A 24 1.719 -16.896 -6.169 1.00 0.00 C ATOM 440 CG ARG A 24 3.222 -16.927 -5.832 1.00 0.00 C ATOM 441 CD ARG A 24 3.824 -18.340 -5.912 1.00 0.00 C ATOM 442 NE ARG A 24 3.556 -19.160 -4.717 1.00 0.00 N ATOM 443 CZ ARG A 24 3.966 -20.411 -4.527 1.00 0.00 C ATOM 444 NH1 ARG A 24 4.587 -21.089 -5.465 1.00 0.00 N ATOM 445 NH2 ARG A 24 3.765 -21.013 -3.377 1.00 0.00 N ATOM 0 H ARG A 24 0.669 -15.023 -4.701 1.00 0.00 H new ATOM 0 HA ARG A 24 2.039 -15.059 -7.288 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.142 -17.179 -5.289 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.504 -17.634 -6.942 1.00 0.00 H new ATOM 0 HG2 ARG A 24 3.757 -16.270 -6.518 1.00 0.00 H new ATOM 0 HG3 ARG A 24 3.372 -16.530 -4.828 1.00 0.00 H new ATOM 0 HD2 ARG A 24 3.424 -18.848 -6.789 1.00 0.00 H new ATOM 0 HD3 ARG A 24 4.902 -18.260 -6.054 1.00 0.00 H new ATOM 0 HE ARG A 24 3.009 -18.731 -3.971 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.768 -20.657 -6.371 1.00 0.00 H new ATOM 0 HH12 ARG A 24 4.889 -22.047 -5.287 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.291 -20.521 -2.620 1.00 0.00 H new ATOM 0 HH22 ARG A 24 4.083 -21.973 -3.241 1.00 0.00 H new ATOM 459 N ARG A 25 -1.149 -15.138 -7.105 1.00 0.00 N ATOM 460 CA ARG A 25 -2.445 -15.262 -7.806 1.00 0.00 C ATOM 461 C ARG A 25 -2.764 -14.066 -8.726 1.00 0.00 C ATOM 462 O ARG A 25 -3.407 -14.273 -9.749 1.00 0.00 O ATOM 463 CB ARG A 25 -3.553 -15.502 -6.757 1.00 0.00 C ATOM 464 CG ARG A 25 -4.734 -16.382 -7.184 1.00 0.00 C ATOM 465 CD ARG A 25 -5.663 -16.650 -5.979 1.00 0.00 C ATOM 466 NE ARG A 25 -5.146 -17.715 -5.095 1.00 0.00 N ATOM 467 CZ ARG A 25 -5.732 -18.222 -4.011 1.00 0.00 C ATOM 468 NH1 ARG A 25 -6.854 -17.738 -3.527 1.00 0.00 N ATOM 469 NH2 ARG A 25 -5.181 -19.228 -3.373 1.00 0.00 N ATOM 0 H ARG A 25 -1.233 -14.651 -6.213 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.387 -16.116 -8.481 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.095 -15.953 -5.877 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.946 -14.532 -6.451 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.293 -15.892 -7.981 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.367 -17.326 -7.586 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.783 -15.731 -5.405 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.652 -16.931 -6.341 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.237 -18.107 -5.343 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.307 -16.946 -3.984 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.272 -18.154 -2.695 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.302 -19.624 -3.707 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -5.632 -19.614 -2.543 1.00 0.00 H new ATOM 483 N TYR A 26 -2.323 -12.846 -8.377 1.00 0.00 N ATOM 484 CA TYR A 26 -2.564 -11.590 -9.123 1.00 0.00 C ATOM 485 C TYR A 26 -1.419 -10.573 -9.005 1.00 0.00 C ATOM 486 O TYR A 26 -1.011 -9.983 -10.001 1.00 0.00 O ATOM 487 CB TYR A 26 -3.844 -10.884 -8.628 1.00 0.00 C ATOM 488 CG TYR A 26 -5.066 -11.767 -8.579 1.00 0.00 C ATOM 489 CD1 TYR A 26 -5.797 -12.041 -9.749 1.00 0.00 C ATOM 490 CD2 TYR A 26 -5.404 -12.386 -7.367 1.00 0.00 C ATOM 491 CE1 TYR A 26 -6.854 -12.969 -9.712 1.00 0.00 C ATOM 492 CE2 TYR A 26 -6.428 -13.345 -7.336 1.00 0.00 C ATOM 493 CZ TYR A 26 -7.158 -13.638 -8.509 1.00 0.00 C ATOM 494 OH TYR A 26 -8.155 -14.565 -8.483 1.00 0.00 O ATOM 0 H TYR A 26 -1.767 -12.697 -7.535 1.00 0.00 H new ATOM 0 HA TYR A 26 -2.655 -11.903 -10.163 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -3.660 -10.483 -7.631 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -4.051 -10.035 -9.280 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -5.548 -11.541 -10.673 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -4.878 -12.126 -6.460 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -7.431 -13.168 -10.603 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -6.658 -13.859 -6.415 1.00 0.00 H new ATOM 0 HH TYR A 26 -8.929 -14.227 -8.979 1.00 0.00 H new ATOM 504 N GLY A 27 -0.962 -10.320 -7.774 1.00 0.00 N ATOM 505 CA GLY A 27 0.031 -9.319 -7.393 1.00 0.00 C ATOM 506 C GLY A 27 -0.531 -8.136 -6.593 1.00 0.00 C ATOM 507 O GLY A 27 0.243 -7.251 -6.250 1.00 0.00 O ATOM 0 H GLY A 27 -1.300 -10.845 -6.967 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.809 -9.804 -6.803 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.508 -8.937 -8.296 1.00 0.00 H new ATOM 511 N PHE A 28 -1.839 -8.088 -6.297 1.00 0.00 N ATOM 512 CA PHE A 28 -2.450 -7.093 -5.401 1.00 0.00 C ATOM 513 C PHE A 28 -2.562 -7.637 -3.960 1.00 0.00 C ATOM 514 O PHE A 28 -2.970 -8.774 -3.794 1.00 0.00 O ATOM 515 CB PHE A 28 -3.839 -6.699 -5.925 1.00 0.00 C ATOM 516 CG PHE A 28 -4.748 -5.974 -4.937 1.00 0.00 C ATOM 517 CD1 PHE A 28 -5.486 -6.707 -3.982 1.00 0.00 C ATOM 518 CD2 PHE A 28 -4.917 -4.577 -5.010 1.00 0.00 C ATOM 519 CE1 PHE A 28 -6.436 -6.069 -3.169 1.00 0.00 C ATOM 520 CE2 PHE A 28 -5.838 -3.931 -4.167 1.00 0.00 C ATOM 521 CZ PHE A 28 -6.616 -4.680 -3.270 1.00 0.00 C ATOM 0 H PHE A 28 -2.513 -8.751 -6.680 1.00 0.00 H new ATOM 0 HA PHE A 28 -1.809 -6.212 -5.382 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.708 -6.063 -6.801 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.348 -7.602 -6.260 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -5.318 -7.769 -3.876 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -4.337 -4.001 -5.716 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -7.025 -6.643 -2.470 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -5.947 -2.857 -4.209 1.00 0.00 H new ATOM 0 HZ PHE A 28 -7.355 -4.187 -2.656 1.00 0.00 H new ATOM 531 N PRO A 29 -2.298 -6.839 -2.913 1.00 0.00 N ATOM 532 CA PRO A 29 -1.605 -5.577 -3.028 1.00 0.00 C ATOM 533 C PRO A 29 -0.170 -5.833 -3.469 1.00 0.00 C ATOM 534 O PRO A 29 0.423 -6.867 -3.157 1.00 0.00 O ATOM 535 CB PRO A 29 -1.680 -4.959 -1.650 1.00 0.00 C ATOM 536 CG PRO A 29 -1.759 -6.148 -0.690 1.00 0.00 C ATOM 537 CD PRO A 29 -2.460 -7.222 -1.517 1.00 0.00 C ATOM 0 HA PRO A 29 -2.041 -4.908 -3.769 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -0.804 -4.343 -1.445 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -2.553 -4.314 -1.553 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.769 -6.471 -0.368 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -2.323 -5.902 0.210 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -2.023 -8.203 -1.330 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -3.515 -7.288 -1.253 1.00 0.00 H new ATOM 545 N ARG A 30 0.382 -4.869 -4.199 1.00 0.00 N ATOM 546 CA ARG A 30 1.743 -4.952 -4.715 1.00 0.00 C ATOM 547 C ARG A 30 2.696 -4.298 -3.716 1.00 0.00 C ATOM 548 O ARG A 30 2.447 -3.157 -3.318 1.00 0.00 O ATOM 549 CB ARG A 30 1.832 -4.342 -6.122 1.00 0.00 C ATOM 550 CG ARG A 30 1.260 -2.922 -6.238 1.00 0.00 C ATOM 551 CD ARG A 30 1.399 -2.415 -7.669 1.00 0.00 C ATOM 552 NE ARG A 30 0.780 -1.087 -7.805 1.00 0.00 N ATOM 553 CZ ARG A 30 0.735 -0.340 -8.899 1.00 0.00 C ATOM 554 NH1 ARG A 30 1.269 -0.747 -10.029 1.00 0.00 N ATOM 555 NH2 ARG A 30 0.145 0.832 -8.869 1.00 0.00 N ATOM 0 H ARG A 30 -0.103 -4.007 -4.450 1.00 0.00 H new ATOM 0 HA ARG A 30 2.041 -5.995 -4.824 1.00 0.00 H new ATOM 0 HB2 ARG A 30 2.877 -4.325 -6.432 1.00 0.00 H new ATOM 0 HB3 ARG A 30 1.303 -4.991 -6.820 1.00 0.00 H new ATOM 0 HG2 ARG A 30 0.210 -2.919 -5.944 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.784 -2.254 -5.555 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.453 -2.362 -7.942 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.927 -3.116 -8.357 1.00 0.00 H new ATOM 0 HE ARG A 30 0.339 -0.701 -6.970 1.00 0.00 H new ATOM 0 HH11 ARG A 30 1.731 -1.655 -10.077 1.00 0.00 H new ATOM 0 HH12 ARG A 30 1.222 -0.154 -10.858 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -0.279 1.168 -8.004 1.00 0.00 H new ATOM 0 HH22 ARG A 30 0.110 1.407 -9.711 1.00 0.00 H new ATOM 569 N PRO A 31 3.775 -4.980 -3.295 1.00 0.00 N ATOM 570 CA PRO A 31 4.782 -4.332 -2.483 1.00 0.00 C ATOM 571 C PRO A 31 5.540 -3.289 -3.308 1.00 0.00 C ATOM 572 O PRO A 31 5.710 -3.435 -4.521 1.00 0.00 O ATOM 573 CB PRO A 31 5.687 -5.447 -1.972 1.00 0.00 C ATOM 574 CG PRO A 31 5.518 -6.587 -2.975 1.00 0.00 C ATOM 575 CD PRO A 31 4.148 -6.350 -3.613 1.00 0.00 C ATOM 0 HA PRO A 31 4.351 -3.786 -1.644 1.00 0.00 H new ATOM 0 HB2 PRO A 31 6.725 -5.119 -1.919 1.00 0.00 H new ATOM 0 HB3 PRO A 31 5.400 -5.759 -0.968 1.00 0.00 H new ATOM 0 HG2 PRO A 31 6.310 -6.575 -3.724 1.00 0.00 H new ATOM 0 HG3 PRO A 31 5.561 -7.558 -2.481 1.00 0.00 H new ATOM 0 HD2 PRO A 31 4.191 -6.500 -4.692 1.00 0.00 H new ATOM 0 HD3 PRO A 31 3.412 -7.053 -3.223 1.00 0.00 H new ATOM 583 N LEU A 32 5.999 -2.228 -2.645 1.00 0.00 N ATOM 584 CA LEU A 32 6.731 -1.150 -3.304 1.00 0.00 C ATOM 585 C LEU A 32 8.149 -1.643 -3.664 1.00 0.00 C ATOM 586 O LEU A 32 8.731 -2.466 -2.953 1.00 0.00 O ATOM 587 CB LEU A 32 6.756 0.136 -2.445 1.00 0.00 C ATOM 588 CG LEU A 32 5.527 0.447 -1.555 1.00 0.00 C ATOM 589 CD1 LEU A 32 5.647 1.859 -0.978 1.00 0.00 C ATOM 590 CD2 LEU A 32 4.167 0.319 -2.254 1.00 0.00 C ATOM 0 H LEU A 32 5.874 -2.093 -1.642 1.00 0.00 H new ATOM 0 HA LEU A 32 6.215 -0.881 -4.225 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.632 0.087 -1.798 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.903 0.982 -3.117 1.00 0.00 H new ATOM 0 HG LEU A 32 5.544 -0.315 -0.776 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.780 2.072 -0.353 1.00 0.00 H new ATOM 0 HD12 LEU A 32 6.554 1.931 -0.377 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.693 2.582 -1.792 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.371 0.557 -1.548 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.124 1.010 -3.096 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.038 -0.701 -2.616 1.00 0.00 H new ATOM 732 N VAL A 41 7.199 -3.806 1.807 1.00 0.00 N ATOM 733 CA VAL A 41 6.763 -2.421 2.002 1.00 0.00 C ATOM 734 C VAL A 41 5.512 -2.153 1.181 1.00 0.00 C ATOM 735 O VAL A 41 5.400 -2.629 0.056 1.00 0.00 O ATOM 736 CB VAL A 41 7.863 -1.418 1.635 1.00 0.00 C ATOM 737 CG1 VAL A 41 8.912 -1.323 2.746 1.00 0.00 C ATOM 738 CG2 VAL A 41 8.550 -1.752 0.307 1.00 0.00 C ATOM 0 HA VAL A 41 6.540 -2.288 3.061 1.00 0.00 H new ATOM 0 HB VAL A 41 7.368 -0.454 1.518 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.681 -0.605 2.460 1.00 0.00 H new ATOM 0 HG12 VAL A 41 8.435 -0.996 3.670 1.00 0.00 H new ATOM 0 HG13 VAL A 41 9.368 -2.301 2.900 1.00 0.00 H new ATOM 0 HG21 VAL A 41 9.319 -1.009 0.098 1.00 0.00 H new ATOM 0 HG22 VAL A 41 9.008 -2.739 0.372 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.813 -1.746 -0.496 1.00 0.00 H new ATOM 748 N TYR A 42 4.578 -1.402 1.756 1.00 0.00 N ATOM 749 CA TYR A 42 3.243 -1.148 1.224 1.00 0.00 C ATOM 750 C TYR A 42 2.782 0.297 1.534 1.00 0.00 C ATOM 751 O TYR A 42 3.511 1.050 2.187 1.00 0.00 O ATOM 752 CB TYR A 42 2.321 -2.216 1.821 1.00 0.00 C ATOM 753 CG TYR A 42 2.456 -3.600 1.213 1.00 0.00 C ATOM 754 CD1 TYR A 42 3.408 -4.508 1.704 1.00 0.00 C ATOM 755 CD2 TYR A 42 1.624 -3.985 0.148 1.00 0.00 C ATOM 756 CE1 TYR A 42 3.522 -5.783 1.126 1.00 0.00 C ATOM 757 CE2 TYR A 42 1.746 -5.257 -0.429 1.00 0.00 C ATOM 758 CZ TYR A 42 2.692 -6.169 0.057 1.00 0.00 C ATOM 759 OH TYR A 42 2.779 -7.414 -0.485 1.00 0.00 O ATOM 0 H TYR A 42 4.738 -0.932 2.647 1.00 0.00 H new ATOM 0 HA TYR A 42 3.226 -1.219 0.136 1.00 0.00 H new ATOM 0 HB2 TYR A 42 2.518 -2.286 2.891 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.288 -1.886 1.708 1.00 0.00 H new ATOM 0 HD1 TYR A 42 4.051 -4.226 2.525 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.884 -3.295 -0.229 1.00 0.00 H new ATOM 0 HE1 TYR A 42 4.257 -6.477 1.507 1.00 0.00 H new ATOM 0 HE2 TYR A 42 1.107 -5.536 -1.254 1.00 0.00 H new ATOM 0 HH TYR A 42 2.128 -7.500 -1.212 1.00 0.00 H new ATOM 769 N SER A 43 1.598 0.708 1.047 1.00 0.00 N ATOM 770 CA SER A 43 1.107 2.098 1.095 1.00 0.00 C ATOM 771 C SER A 43 -0.379 2.180 1.464 1.00 0.00 C ATOM 772 O SER A 43 -1.153 1.261 1.220 1.00 0.00 O ATOM 773 CB SER A 43 1.328 2.774 -0.263 1.00 0.00 C ATOM 774 OG SER A 43 1.037 4.156 -0.173 1.00 0.00 O ATOM 0 H SER A 43 0.941 0.069 0.599 1.00 0.00 H new ATOM 0 HA SER A 43 1.672 2.612 1.873 1.00 0.00 H new ATOM 0 HB2 SER A 43 2.360 2.632 -0.585 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.692 2.309 -1.017 1.00 0.00 H new ATOM 0 HG SER A 43 1.183 4.579 -1.045 1.00 0.00 H new ATOM 780 N ARG A 44 -0.829 3.312 2.018 1.00 0.00 N ATOM 781 CA ARG A 44 -2.184 3.408 2.583 1.00 0.00 C ATOM 782 C ARG A 44 -3.297 3.193 1.543 1.00 0.00 C ATOM 783 O ARG A 44 -4.330 2.620 1.879 1.00 0.00 O ATOM 784 CB ARG A 44 -2.353 4.734 3.338 1.00 0.00 C ATOM 785 CG ARG A 44 -3.191 4.578 4.625 1.00 0.00 C ATOM 786 CD ARG A 44 -2.385 4.903 5.898 1.00 0.00 C ATOM 787 NE ARG A 44 -3.206 5.621 6.889 1.00 0.00 N ATOM 788 CZ ARG A 44 -4.154 5.131 7.675 1.00 0.00 C ATOM 789 NH1 ARG A 44 -4.421 3.847 7.723 1.00 0.00 N ATOM 790 NH2 ARG A 44 -4.861 5.941 8.427 1.00 0.00 N ATOM 0 H ARG A 44 -0.281 4.169 2.088 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.293 2.587 3.291 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.370 5.131 3.594 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.831 5.463 2.683 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -4.059 5.235 4.571 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.567 3.557 4.688 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.008 3.979 6.337 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.517 5.508 5.636 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.022 6.620 6.982 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.892 3.194 7.145 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -5.157 3.502 8.339 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -4.680 6.945 8.406 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -5.591 5.567 9.033 1.00 0.00 H new ATOM 804 N GLU A 45 -3.039 3.605 0.297 1.00 0.00 N ATOM 805 CA GLU A 45 -3.860 3.421 -0.913 1.00 0.00 C ATOM 806 C GLU A 45 -4.152 1.953 -1.252 1.00 0.00 C ATOM 807 O GLU A 45 -5.282 1.622 -1.601 1.00 0.00 O ATOM 808 CB GLU A 45 -3.168 4.090 -2.122 1.00 0.00 C ATOM 809 CG GLU A 45 -1.658 3.776 -2.184 1.00 0.00 C ATOM 810 CD GLU A 45 -1.013 3.783 -3.572 1.00 0.00 C ATOM 811 OE1 GLU A 45 -1.603 3.199 -4.511 1.00 0.00 O ATOM 812 OE2 GLU A 45 0.137 4.276 -3.628 1.00 0.00 O ATOM 0 H GLU A 45 -2.182 4.118 0.088 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.820 3.891 -0.698 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.645 3.752 -3.042 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.310 5.169 -2.067 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.134 4.500 -1.561 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.495 2.795 -1.738 1.00 0.00 H new ATOM 819 N GLU A 46 -3.164 1.055 -1.142 1.00 0.00 N ATOM 820 CA GLU A 46 -3.436 -0.370 -1.283 1.00 0.00 C ATOM 821 C GLU A 46 -4.116 -0.894 -0.013 1.00 0.00 C ATOM 822 O GLU A 46 -5.082 -1.639 -0.127 1.00 0.00 O ATOM 823 CB GLU A 46 -2.197 -1.159 -1.749 1.00 0.00 C ATOM 824 CG GLU A 46 -1.000 -1.260 -0.798 1.00 0.00 C ATOM 825 CD GLU A 46 -1.308 -1.989 0.518 1.00 0.00 C ATOM 826 OE1 GLU A 46 -1.967 -3.045 0.486 1.00 0.00 O ATOM 827 OE2 GLU A 46 -0.891 -1.470 1.568 1.00 0.00 O ATOM 0 H GLU A 46 -2.188 1.290 -0.959 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.147 -0.531 -2.093 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -2.519 -2.173 -1.987 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.847 -0.709 -2.678 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.187 -1.778 -1.307 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.644 -0.255 -0.570 1.00 0.00 H new ATOM 834 N VAL A 47 -3.694 -0.447 1.182 1.00 0.00 N ATOM 835 CA VAL A 47 -4.245 -0.919 2.458 1.00 0.00 C ATOM 836 C VAL A 47 -5.751 -0.694 2.527 1.00 0.00 C ATOM 837 O VAL A 47 -6.478 -1.625 2.853 1.00 0.00 O ATOM 838 CB VAL A 47 -3.492 -0.301 3.668 1.00 0.00 C ATOM 839 CG1 VAL A 47 -4.369 0.020 4.887 1.00 0.00 C ATOM 840 CG2 VAL A 47 -2.366 -1.216 4.171 1.00 0.00 C ATOM 0 H VAL A 47 -2.960 0.253 1.288 1.00 0.00 H new ATOM 0 HA VAL A 47 -4.086 -1.996 2.514 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.108 0.634 3.260 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.751 0.447 5.677 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -5.140 0.736 4.602 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.839 -0.895 5.248 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.866 -0.746 5.017 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.786 -2.172 4.483 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.646 -1.381 3.370 1.00 0.00 H new ATOM 850 N GLU A 48 -6.236 0.515 2.239 1.00 0.00 N ATOM 851 CA GLU A 48 -7.670 0.820 2.244 1.00 0.00 C ATOM 852 C GLU A 48 -8.452 -0.021 1.221 1.00 0.00 C ATOM 853 O GLU A 48 -9.480 -0.609 1.579 1.00 0.00 O ATOM 854 CB GLU A 48 -7.891 2.335 2.104 1.00 0.00 C ATOM 855 CG GLU A 48 -7.284 2.977 0.844 1.00 0.00 C ATOM 856 CD GLU A 48 -8.344 3.379 -0.185 1.00 0.00 C ATOM 857 OE1 GLU A 48 -9.146 2.496 -0.565 1.00 0.00 O ATOM 858 OE2 GLU A 48 -8.362 4.576 -0.545 1.00 0.00 O ATOM 0 H GLU A 48 -5.647 1.311 1.996 1.00 0.00 H new ATOM 0 HA GLU A 48 -8.084 0.527 3.209 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -8.963 2.531 2.110 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -7.472 2.829 2.981 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -6.710 3.858 1.131 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -6.586 2.277 0.385 1.00 0.00 H new ATOM 865 N ALA A 49 -7.911 -0.183 0.006 1.00 0.00 N ATOM 866 CA ALA A 49 -8.481 -1.040 -1.023 1.00 0.00 C ATOM 867 C ALA A 49 -8.571 -2.488 -0.529 1.00 0.00 C ATOM 868 O ALA A 49 -9.648 -3.074 -0.521 1.00 0.00 O ATOM 869 CB ALA A 49 -7.643 -0.929 -2.301 1.00 0.00 C ATOM 0 H ALA A 49 -7.054 0.287 -0.286 1.00 0.00 H new ATOM 0 HA ALA A 49 -9.496 -0.713 -1.248 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.069 -1.571 -3.072 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.643 0.104 -2.648 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.620 -1.242 -2.093 1.00 0.00 H new ATOM 875 N VAL A 50 -7.454 -3.055 -0.068 1.00 0.00 N ATOM 876 CA VAL A 50 -7.326 -4.414 0.470 1.00 0.00 C ATOM 877 C VAL A 50 -8.228 -4.634 1.678 1.00 0.00 C ATOM 878 O VAL A 50 -8.858 -5.683 1.776 1.00 0.00 O ATOM 879 CB VAL A 50 -5.866 -4.672 0.859 1.00 0.00 C ATOM 880 CG1 VAL A 50 -5.666 -5.991 1.611 1.00 0.00 C ATOM 881 CG2 VAL A 50 -4.975 -4.702 -0.375 1.00 0.00 C ATOM 0 H VAL A 50 -6.566 -2.553 -0.059 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.638 -5.114 -0.305 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.593 -3.850 1.520 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.611 -6.113 1.857 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.254 -5.979 2.529 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.991 -6.821 0.983 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.944 -4.886 -0.075 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.306 -5.497 -1.043 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.037 -3.744 -0.892 1.00 0.00 H new ATOM 891 N ARG A 51 -8.323 -3.653 2.588 1.00 0.00 N ATOM 892 CA ARG A 51 -9.283 -3.660 3.695 1.00 0.00 C ATOM 893 C ARG A 51 -10.708 -3.811 3.188 1.00 0.00 C ATOM 894 O ARG A 51 -11.428 -4.655 3.722 1.00 0.00 O ATOM 895 CB ARG A 51 -9.117 -2.427 4.596 1.00 0.00 C ATOM 896 CG ARG A 51 -7.888 -2.532 5.516 1.00 0.00 C ATOM 897 CD ARG A 51 -7.640 -1.222 6.272 1.00 0.00 C ATOM 898 NE ARG A 51 -8.291 -1.219 7.594 1.00 0.00 N ATOM 899 CZ ARG A 51 -8.480 -0.170 8.384 1.00 0.00 C ATOM 900 NH1 ARG A 51 -8.234 1.056 7.981 1.00 0.00 N ATOM 901 NH2 ARG A 51 -8.919 -0.343 9.608 1.00 0.00 N ATOM 0 H ARG A 51 -7.728 -2.825 2.573 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.069 -4.532 4.313 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -9.027 -1.536 3.974 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -10.013 -2.302 5.204 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -8.034 -3.343 6.229 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -7.009 -2.784 4.923 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.568 -1.071 6.395 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -8.014 -0.386 5.681 1.00 0.00 H new ATOM 0 HE ARG A 51 -8.632 -2.117 7.937 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -7.887 1.222 7.036 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -8.390 1.841 8.613 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -9.115 -1.283 9.952 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -9.065 0.463 10.216 1.00 0.00 H new ATOM 915 N ARG A 52 -11.081 -3.072 2.137 1.00 0.00 N ATOM 916 CA ARG A 52 -12.330 -3.303 1.410 1.00 0.00 C ATOM 917 C ARG A 52 -12.395 -4.717 0.848 1.00 0.00 C ATOM 918 O ARG A 52 -13.262 -5.463 1.287 1.00 0.00 O ATOM 919 CB ARG A 52 -12.563 -2.224 0.333 1.00 0.00 C ATOM 920 CG ARG A 52 -13.745 -1.339 0.732 1.00 0.00 C ATOM 921 CD ARG A 52 -13.413 -0.457 1.948 1.00 0.00 C ATOM 922 NE ARG A 52 -14.622 -0.093 2.709 1.00 0.00 N ATOM 923 CZ ARG A 52 -15.629 0.673 2.306 1.00 0.00 C ATOM 924 NH1 ARG A 52 -15.630 1.264 1.135 1.00 0.00 N ATOM 925 NH2 ARG A 52 -16.668 0.851 3.088 1.00 0.00 N ATOM 0 H ARG A 52 -10.526 -2.300 1.769 1.00 0.00 H new ATOM 0 HA ARG A 52 -13.152 -3.215 2.121 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -11.666 -1.616 0.214 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -12.759 -2.695 -0.630 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -14.026 -0.706 -0.110 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -14.607 -1.965 0.962 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -12.718 -0.985 2.601 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -12.909 0.449 1.612 1.00 0.00 H new ATOM 0 HE ARG A 52 -14.693 -0.473 3.653 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -14.840 1.142 0.501 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -16.421 1.846 0.858 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -16.701 0.401 4.003 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -17.443 1.439 2.781 1.00 0.00 H new ATOM 939 N VAL A 53 -11.485 -5.098 -0.057 1.00 0.00 N ATOM 940 CA VAL A 53 -11.474 -6.400 -0.743 1.00 0.00 C ATOM 941 C VAL A 53 -11.614 -7.569 0.242 1.00 0.00 C ATOM 942 O VAL A 53 -12.469 -8.424 0.043 1.00 0.00 O ATOM 943 CB VAL A 53 -10.233 -6.560 -1.652 1.00 0.00 C ATOM 944 CG1 VAL A 53 -10.289 -7.913 -2.364 1.00 0.00 C ATOM 945 CG2 VAL A 53 -10.128 -5.439 -2.698 1.00 0.00 C ATOM 0 H VAL A 53 -10.714 -4.494 -0.341 1.00 0.00 H new ATOM 0 HA VAL A 53 -12.350 -6.425 -1.391 1.00 0.00 H new ATOM 0 HB VAL A 53 -9.352 -6.501 -1.013 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.414 -8.024 -3.004 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -10.301 -8.713 -1.624 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -11.192 -7.967 -2.972 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -9.241 -5.596 -3.312 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -11.014 -5.449 -3.332 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -10.054 -4.476 -2.193 1.00 0.00 H new ATOM 955 N ALA A 54 -10.837 -7.579 1.330 1.00 0.00 N ATOM 956 CA ALA A 54 -10.907 -8.562 2.412 1.00 0.00 C ATOM 957 C ALA A 54 -12.302 -8.654 3.059 1.00 0.00 C ATOM 958 O ALA A 54 -12.809 -9.755 3.275 1.00 0.00 O ATOM 959 CB ALA A 54 -9.850 -8.195 3.459 1.00 0.00 C ATOM 0 H ALA A 54 -10.115 -6.875 1.485 1.00 0.00 H new ATOM 0 HA ALA A 54 -10.712 -9.548 1.990 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -9.883 -8.915 4.277 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -8.862 -8.213 3.000 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -10.053 -7.196 3.846 1.00 0.00 H new ATOM 965 N ARG A 55 -12.931 -7.513 3.379 1.00 0.00 N ATOM 966 CA ARG A 55 -14.286 -7.479 3.953 1.00 0.00 C ATOM 967 C ARG A 55 -15.359 -7.836 2.917 1.00 0.00 C ATOM 968 O ARG A 55 -16.327 -8.507 3.260 1.00 0.00 O ATOM 969 CB ARG A 55 -14.542 -6.109 4.613 1.00 0.00 C ATOM 970 CG ARG A 55 -15.081 -6.248 6.047 1.00 0.00 C ATOM 971 CD ARG A 55 -16.590 -6.520 6.114 1.00 0.00 C ATOM 972 NE ARG A 55 -17.363 -5.267 6.032 1.00 0.00 N ATOM 973 CZ ARG A 55 -18.683 -5.146 5.976 1.00 0.00 C ATOM 974 NH1 ARG A 55 -19.473 -6.187 5.862 1.00 0.00 N ATOM 975 NH2 ARG A 55 -19.233 -3.956 6.042 1.00 0.00 N ATOM 0 H ARG A 55 -12.517 -6.590 3.248 1.00 0.00 H new ATOM 0 HA ARG A 55 -14.353 -8.245 4.725 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -13.615 -5.536 4.629 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -15.255 -5.545 4.011 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -14.552 -7.059 6.548 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -14.860 -5.334 6.599 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -16.879 -7.183 5.298 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -16.828 -7.037 7.044 1.00 0.00 H new ATOM 0 HE ARG A 55 -16.825 -4.400 6.017 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -19.076 -7.125 5.814 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -20.484 -6.058 5.822 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -18.646 -3.127 6.136 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -20.248 -3.860 5.999 1.00 0.00 H new ATOM 989 N LEU A 56 -15.158 -7.446 1.657 1.00 0.00 N ATOM 990 CA LEU A 56 -15.978 -7.830 0.509 1.00 0.00 C ATOM 991 C LEU A 56 -15.922 -9.354 0.269 1.00 0.00 C ATOM 992 O LEU A 56 -16.941 -9.994 0.025 1.00 0.00 O ATOM 993 CB LEU A 56 -15.499 -7.034 -0.732 1.00 0.00 C ATOM 994 CG LEU A 56 -16.527 -6.165 -1.484 1.00 0.00 C ATOM 995 CD1 LEU A 56 -17.905 -6.812 -1.599 1.00 0.00 C ATOM 996 CD2 LEU A 56 -16.666 -4.777 -0.854 1.00 0.00 C ATOM 0 H LEU A 56 -14.388 -6.829 1.399 1.00 0.00 H new ATOM 0 HA LEU A 56 -17.022 -7.587 0.706 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -14.683 -6.385 -0.416 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -15.082 -7.747 -1.444 1.00 0.00 H new ATOM 0 HG LEU A 56 -16.127 -6.066 -2.493 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -18.576 -6.145 -2.139 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -17.820 -7.756 -2.138 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -18.304 -6.998 -0.602 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -17.399 -4.196 -1.413 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -16.995 -4.878 0.180 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -15.703 -4.267 -0.880 1.00 0.00 H new ATOM 1008 N ILE A 57 -14.742 -9.970 0.407 1.00 0.00 N ATOM 1009 CA ILE A 57 -14.540 -11.425 0.383 1.00 0.00 C ATOM 1010 C ILE A 57 -15.350 -12.155 1.449 1.00 0.00 C ATOM 1011 O ILE A 57 -15.850 -13.241 1.170 1.00 0.00 O ATOM 1012 CB ILE A 57 -13.034 -11.738 0.485 1.00 0.00 C ATOM 1013 CG1 ILE A 57 -12.469 -11.646 -0.938 1.00 0.00 C ATOM 1014 CG2 ILE A 57 -12.673 -13.092 1.131 1.00 0.00 C ATOM 1015 CD1 ILE A 57 -11.003 -11.260 -0.943 1.00 0.00 C ATOM 0 H ILE A 57 -13.873 -9.454 0.543 1.00 0.00 H new ATOM 0 HA ILE A 57 -14.915 -11.801 -0.569 1.00 0.00 H new ATOM 0 HB ILE A 57 -12.591 -11.011 1.166 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -12.593 -12.606 -1.440 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -13.039 -10.912 -1.508 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -11.589 -13.208 1.151 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -13.061 -13.124 2.149 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -13.114 -13.902 0.549 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -10.644 -11.207 -1.971 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -10.881 -10.288 -0.465 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -10.428 -12.008 -0.397 1.00 0.00 H new ATOM 1027 N GLN A 58 -15.532 -11.565 2.634 1.00 0.00 N ATOM 1028 CA GLN A 58 -16.443 -12.122 3.634 1.00 0.00 C ATOM 1029 C GLN A 58 -17.917 -12.154 3.171 1.00 0.00 C ATOM 1030 O GLN A 58 -18.702 -12.878 3.775 1.00 0.00 O ATOM 1031 CB GLN A 58 -16.280 -11.386 4.983 1.00 0.00 C ATOM 1032 CG GLN A 58 -15.507 -12.184 6.046 1.00 0.00 C ATOM 1033 CD GLN A 58 -16.094 -13.569 6.322 1.00 0.00 C ATOM 1034 OE1 GLN A 58 -17.227 -13.721 6.744 1.00 0.00 O ATOM 1035 NE2 GLN A 58 -15.334 -14.629 6.117 1.00 0.00 N ATOM 0 H GLN A 58 -15.063 -10.706 2.922 1.00 0.00 H new ATOM 0 HA GLN A 58 -16.161 -13.166 3.772 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -15.766 -10.441 4.809 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -17.268 -11.144 5.374 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -14.472 -12.296 5.723 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -15.491 -11.614 6.975 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -14.384 -14.515 5.764 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -15.697 -15.562 6.312 1.00 0.00 H new ATOM 1044 N GLU A 59 -18.306 -11.434 2.104 1.00 0.00 N ATOM 1045 CA GLU A 59 -19.636 -11.561 1.490 1.00 0.00 C ATOM 1046 C GLU A 59 -19.738 -12.785 0.554 1.00 0.00 C ATOM 1047 O GLU A 59 -20.706 -13.535 0.647 1.00 0.00 O ATOM 1048 CB GLU A 59 -20.066 -10.226 0.829 1.00 0.00 C ATOM 1049 CG GLU A 59 -20.193 -10.218 -0.709 1.00 0.00 C ATOM 1050 CD GLU A 59 -20.631 -8.864 -1.284 1.00 0.00 C ATOM 1051 OE1 GLU A 59 -21.275 -8.081 -0.547 1.00 0.00 O ATOM 1052 OE2 GLU A 59 -20.313 -8.626 -2.470 1.00 0.00 O ATOM 0 H GLU A 59 -17.706 -10.749 1.645 1.00 0.00 H new ATOM 0 HA GLU A 59 -20.358 -11.760 2.282 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -21.028 -9.933 1.250 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -19.346 -9.459 1.114 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -19.233 -10.495 -1.146 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -20.912 -10.980 -1.010 1.00 0.00 H new ATOM 1059 N GLU A 60 -18.754 -12.994 -0.334 1.00 0.00 N ATOM 1060 CA GLU A 60 -18.778 -14.061 -1.356 1.00 0.00 C ATOM 1061 C GLU A 60 -17.416 -14.699 -1.667 1.00 0.00 C ATOM 1062 O GLU A 60 -17.354 -15.880 -1.999 1.00 0.00 O ATOM 1063 CB GLU A 60 -19.337 -13.521 -2.691 1.00 0.00 C ATOM 1064 CG GLU A 60 -20.839 -13.765 -2.891 1.00 0.00 C ATOM 1065 CD GLU A 60 -21.147 -13.995 -4.378 1.00 0.00 C ATOM 1066 OE1 GLU A 60 -20.831 -13.091 -5.185 1.00 0.00 O ATOM 1067 OE2 GLU A 60 -21.652 -15.094 -4.699 1.00 0.00 O ATOM 0 H GLU A 60 -17.909 -12.423 -0.366 1.00 0.00 H new ATOM 0 HA GLU A 60 -19.413 -14.830 -0.916 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -19.144 -12.450 -2.745 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -18.793 -13.985 -3.514 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -21.155 -14.631 -2.309 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -21.406 -12.910 -2.523 1.00 0.00 H new ATOM 1074 N GLY A 61 -16.330 -13.923 -1.645 1.00 0.00 N ATOM 1075 CA GLY A 61 -14.980 -14.389 -1.972 1.00 0.00 C ATOM 1076 C GLY A 61 -14.555 -14.092 -3.414 1.00 0.00 C ATOM 1077 O GLY A 61 -13.390 -13.782 -3.650 1.00 0.00 O ATOM 0 H GLY A 61 -16.365 -12.935 -1.395 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -14.269 -13.922 -1.290 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -14.926 -15.464 -1.801 1.00 0.00 H new ATOM 1081 N LEU A 62 -15.500 -14.084 -4.365 1.00 0.00 N ATOM 1082 CA LEU A 62 -15.306 -13.640 -5.757 1.00 0.00 C ATOM 1083 C LEU A 62 -14.632 -12.262 -5.836 1.00 0.00 C ATOM 1084 O LEU A 62 -13.790 -12.040 -6.709 1.00 0.00 O ATOM 1085 CB LEU A 62 -16.673 -13.692 -6.475 1.00 0.00 C ATOM 1086 CG LEU A 62 -16.931 -12.675 -7.609 1.00 0.00 C ATOM 1087 CD1 LEU A 62 -16.034 -12.878 -8.840 1.00 0.00 C ATOM 1088 CD2 LEU A 62 -18.389 -12.779 -8.057 1.00 0.00 C ATOM 0 H LEU A 62 -16.454 -14.397 -4.182 1.00 0.00 H new ATOM 0 HA LEU A 62 -14.616 -14.311 -6.268 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -16.796 -14.693 -6.889 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -17.451 -13.560 -5.723 1.00 0.00 H new ATOM 0 HG LEU A 62 -16.699 -11.693 -7.197 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -16.274 -12.127 -9.593 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -14.988 -12.779 -8.549 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -16.203 -13.872 -9.253 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -18.576 -12.063 -8.857 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -18.587 -13.788 -8.419 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -19.045 -12.561 -7.214 1.00 0.00 H new ATOM 1100 N SER A 63 -14.924 -11.378 -4.873 1.00 0.00 N ATOM 1101 CA SER A 63 -14.253 -10.091 -4.696 1.00 0.00 C ATOM 1102 C SER A 63 -12.724 -10.161 -4.638 1.00 0.00 C ATOM 1103 O SER A 63 -12.103 -9.130 -4.856 1.00 0.00 O ATOM 1104 CB SER A 63 -14.798 -9.353 -3.475 1.00 0.00 C ATOM 1105 OG SER A 63 -15.740 -8.385 -3.890 1.00 0.00 O ATOM 0 H SER A 63 -15.653 -11.546 -4.179 1.00 0.00 H new ATOM 0 HA SER A 63 -14.484 -9.531 -5.602 1.00 0.00 H new ATOM 0 HB2 SER A 63 -15.265 -10.059 -2.789 1.00 0.00 H new ATOM 0 HB3 SER A 63 -13.983 -8.873 -2.933 1.00 0.00 H new ATOM 0 HG SER A 63 -16.647 -8.734 -3.760 1.00 0.00 H new ATOM 1111 N VAL A 64 -12.100 -11.336 -4.470 1.00 0.00 N ATOM 1112 CA VAL A 64 -10.712 -11.557 -4.895 1.00 0.00 C ATOM 1113 C VAL A 64 -10.493 -11.040 -6.326 1.00 0.00 C ATOM 1114 O VAL A 64 -9.850 -10.014 -6.493 1.00 0.00 O ATOM 1115 CB VAL A 64 -10.308 -13.039 -4.741 1.00 0.00 C ATOM 1116 CG1 VAL A 64 -9.019 -13.336 -5.502 1.00 0.00 C ATOM 1117 CG2 VAL A 64 -10.084 -13.443 -3.281 1.00 0.00 C ATOM 0 H VAL A 64 -12.538 -12.151 -4.041 1.00 0.00 H new ATOM 0 HA VAL A 64 -10.057 -10.984 -4.239 1.00 0.00 H new ATOM 0 HB VAL A 64 -11.142 -13.612 -5.147 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -8.757 -14.387 -5.377 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -9.164 -13.122 -6.561 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -8.214 -12.712 -5.112 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -9.802 -14.495 -3.234 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.287 -12.834 -2.853 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -11.003 -13.288 -2.715 1.00 0.00 H new ATOM 1127 N SER A 65 -11.007 -11.713 -7.363 1.00 0.00 N ATOM 1128 CA SER A 65 -10.835 -11.232 -8.739 1.00 0.00 C ATOM 1129 C SER A 65 -11.675 -9.985 -8.990 1.00 0.00 C ATOM 1130 O SER A 65 -11.184 -9.065 -9.633 1.00 0.00 O ATOM 1131 CB SER A 65 -11.209 -12.299 -9.772 1.00 0.00 C ATOM 1132 OG SER A 65 -10.144 -13.198 -10.004 1.00 0.00 O ATOM 0 H SER A 65 -11.538 -12.580 -7.278 1.00 0.00 H new ATOM 0 HA SER A 65 -9.778 -10.993 -8.853 1.00 0.00 H new ATOM 0 HB2 SER A 65 -12.082 -12.851 -9.425 1.00 0.00 H new ATOM 0 HB3 SER A 65 -11.489 -11.817 -10.709 1.00 0.00 H new ATOM 0 HG SER A 65 -10.418 -13.866 -10.667 1.00 0.00 H new ATOM 1138 N GLU A 66 -12.913 -9.937 -8.481 1.00 0.00 N ATOM 1139 CA GLU A 66 -13.826 -8.825 -8.744 1.00 0.00 C ATOM 1140 C GLU A 66 -13.324 -7.508 -8.160 1.00 0.00 C ATOM 1141 O GLU A 66 -13.146 -6.565 -8.918 1.00 0.00 O ATOM 1142 CB GLU A 66 -15.255 -9.146 -8.271 1.00 0.00 C ATOM 1143 CG GLU A 66 -16.172 -9.488 -9.452 1.00 0.00 C ATOM 1144 CD GLU A 66 -16.466 -8.247 -10.298 1.00 0.00 C ATOM 1145 OE1 GLU A 66 -17.335 -7.452 -9.875 1.00 0.00 O ATOM 1146 OE2 GLU A 66 -15.771 -8.061 -11.319 1.00 0.00 O ATOM 0 H GLU A 66 -13.304 -10.663 -7.881 1.00 0.00 H new ATOM 0 HA GLU A 66 -13.857 -8.694 -9.826 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -15.230 -9.983 -7.574 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -15.661 -8.292 -7.729 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -15.702 -10.252 -10.072 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -17.107 -9.909 -9.081 1.00 0.00 H new ATOM 1153 N ALA A 67 -13.057 -7.405 -6.852 1.00 0.00 N ATOM 1154 CA ALA A 67 -12.624 -6.137 -6.275 1.00 0.00 C ATOM 1155 C ALA A 67 -11.183 -5.772 -6.676 1.00 0.00 C ATOM 1156 O ALA A 67 -10.888 -4.585 -6.776 1.00 0.00 O ATOM 1157 CB ALA A 67 -12.823 -6.134 -4.763 1.00 0.00 C ATOM 0 H ALA A 67 -13.133 -8.174 -6.186 1.00 0.00 H new ATOM 0 HA ALA A 67 -13.256 -5.353 -6.692 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -12.493 -5.179 -4.355 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -13.879 -6.281 -4.535 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -12.240 -6.940 -4.318 1.00 0.00 H new ATOM 1163 N ILE A 68 -10.307 -6.749 -6.980 1.00 0.00 N ATOM 1164 CA ILE A 68 -9.013 -6.467 -7.624 1.00 0.00 C ATOM 1165 C ILE A 68 -9.240 -5.882 -9.020 1.00 0.00 C ATOM 1166 O ILE A 68 -8.751 -4.790 -9.294 1.00 0.00 O ATOM 1167 CB ILE A 68 -8.059 -7.686 -7.640 1.00 0.00 C ATOM 1168 CG1 ILE A 68 -7.656 -8.008 -6.186 1.00 0.00 C ATOM 1169 CG2 ILE A 68 -6.789 -7.384 -8.463 1.00 0.00 C ATOM 1170 CD1 ILE A 68 -6.855 -9.305 -5.990 1.00 0.00 C ATOM 0 H ILE A 68 -10.473 -7.737 -6.790 1.00 0.00 H new ATOM 0 HA ILE A 68 -8.500 -5.721 -7.017 1.00 0.00 H new ATOM 0 HB ILE A 68 -8.570 -8.532 -8.098 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -7.067 -7.177 -5.799 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -8.561 -8.066 -5.582 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -6.136 -8.257 -8.458 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -7.069 -7.146 -9.489 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -6.264 -6.536 -8.024 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -6.625 -9.434 -4.932 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -7.444 -10.153 -6.339 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -5.927 -9.249 -6.559 1.00 0.00 H new ATOM 1182 N ALA A 69 -9.988 -6.558 -9.902 1.00 0.00 N ATOM 1183 CA ALA A 69 -10.286 -6.047 -11.239 1.00 0.00 C ATOM 1184 C ALA A 69 -11.015 -4.697 -11.190 1.00 0.00 C ATOM 1185 O ALA A 69 -10.637 -3.799 -11.935 1.00 0.00 O ATOM 1186 CB ALA A 69 -11.071 -7.088 -12.040 1.00 0.00 C ATOM 0 H ALA A 69 -10.400 -7.470 -9.706 1.00 0.00 H new ATOM 0 HA ALA A 69 -9.340 -5.866 -11.749 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -11.287 -6.695 -13.034 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -10.480 -7.999 -12.130 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -12.006 -7.312 -11.527 1.00 0.00 H new ATOM 1192 N GLN A 70 -11.988 -4.518 -10.287 1.00 0.00 N ATOM 1193 CA GLN A 70 -12.641 -3.238 -10.012 1.00 0.00 C ATOM 1194 C GLN A 70 -11.615 -2.182 -9.584 1.00 0.00 C ATOM 1195 O GLN A 70 -11.471 -1.199 -10.294 1.00 0.00 O ATOM 1196 CB GLN A 70 -13.753 -3.375 -8.963 1.00 0.00 C ATOM 1197 CG GLN A 70 -15.040 -4.070 -9.453 1.00 0.00 C ATOM 1198 CD GLN A 70 -15.983 -4.347 -8.279 1.00 0.00 C ATOM 1199 OE1 GLN A 70 -16.089 -3.568 -7.343 1.00 0.00 O ATOM 1200 NE2 GLN A 70 -16.711 -5.444 -8.246 1.00 0.00 N ATOM 0 H GLN A 70 -12.350 -5.281 -9.715 1.00 0.00 H new ATOM 0 HA GLN A 70 -13.109 -2.908 -10.939 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -13.360 -3.932 -8.112 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -14.012 -2.380 -8.601 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -15.542 -3.442 -10.189 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -14.787 -5.005 -9.952 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -16.651 -6.119 -9.008 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -17.335 -5.618 -7.458 1.00 0.00 H new ATOM 1209 N VAL A 71 -10.855 -2.358 -8.492 1.00 0.00 N ATOM 1210 CA VAL A 71 -9.895 -1.326 -8.055 1.00 0.00 C ATOM 1211 C VAL A 71 -8.769 -1.078 -9.080 1.00 0.00 C ATOM 1212 O VAL A 71 -8.229 0.022 -9.142 1.00 0.00 O ATOM 1213 CB VAL A 71 -9.361 -1.610 -6.635 1.00 0.00 C ATOM 1214 CG1 VAL A 71 -8.177 -2.584 -6.597 1.00 0.00 C ATOM 1215 CG2 VAL A 71 -8.958 -0.303 -5.942 1.00 0.00 C ATOM 0 H VAL A 71 -10.883 -3.190 -7.902 1.00 0.00 H new ATOM 0 HA VAL A 71 -10.447 -0.388 -8.002 1.00 0.00 H new ATOM 0 HB VAL A 71 -10.184 -2.090 -6.105 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -7.860 -2.731 -5.565 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -8.479 -3.540 -7.024 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -7.349 -2.173 -7.175 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -8.584 -0.522 -4.942 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -8.178 0.191 -6.521 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -9.826 0.353 -5.869 1.00 0.00 H new ATOM 1225 N LYS A 72 -8.431 -2.071 -9.920 1.00 0.00 N ATOM 1226 CA LYS A 72 -7.479 -1.939 -11.036 1.00 0.00 C ATOM 1227 C LYS A 72 -8.065 -1.238 -12.269 1.00 0.00 C ATOM 1228 O LYS A 72 -7.320 -0.529 -12.940 1.00 0.00 O ATOM 1229 CB LYS A 72 -6.951 -3.325 -11.446 1.00 0.00 C ATOM 1230 CG LYS A 72 -5.991 -3.970 -10.424 1.00 0.00 C ATOM 1231 CD LYS A 72 -4.528 -3.966 -10.890 1.00 0.00 C ATOM 1232 CE LYS A 72 -3.955 -2.543 -10.932 1.00 0.00 C ATOM 1233 NZ LYS A 72 -3.344 -2.228 -12.244 1.00 0.00 N ATOM 0 H LYS A 72 -8.821 -3.010 -9.840 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.670 -1.309 -10.667 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.799 -3.992 -11.601 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.437 -3.236 -12.403 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.066 -3.437 -9.476 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.304 -4.997 -10.237 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -3.929 -4.581 -10.218 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.459 -4.416 -11.880 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.749 -1.826 -10.721 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.207 -2.430 -10.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.970 -1.258 -12.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.569 -2.895 -12.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -4.063 -2.310 -12.991 1.00 0.00 H new ATOM 1247 N THR A 73 -9.342 -1.468 -12.598 1.00 0.00 N ATOM 1248 CA THR A 73 -10.062 -0.811 -13.705 1.00 0.00 C ATOM 1249 C THR A 73 -10.630 0.555 -13.298 1.00 0.00 C ATOM 1250 O THR A 73 -10.885 1.395 -14.160 1.00 0.00 O ATOM 1251 CB THR A 73 -11.143 -1.755 -14.287 1.00 0.00 C ATOM 1252 OG1 THR A 73 -11.412 -1.438 -15.634 1.00 0.00 O ATOM 1253 CG2 THR A 73 -12.490 -1.774 -13.558 1.00 0.00 C ATOM 0 H THR A 73 -9.923 -2.135 -12.089 1.00 0.00 H new ATOM 0 HA THR A 73 -9.343 -0.607 -14.498 1.00 0.00 H new ATOM 0 HB THR A 73 -10.696 -2.741 -14.162 1.00 0.00 H new ATOM 0 HG1 THR A 73 -12.096 -2.047 -15.983 1.00 0.00 H new ATOM 0 HG21 THR A 73 -13.164 -2.471 -14.057 1.00 0.00 H new ATOM 0 HG22 THR A 73 -12.341 -2.090 -12.526 1.00 0.00 H new ATOM 0 HG23 THR A 73 -12.926 -0.775 -13.572 1.00 0.00 H new ATOM 1261 N GLU A 74 -10.783 0.806 -11.992 1.00 0.00 N ATOM 1262 CA GLU A 74 -11.159 2.097 -11.424 1.00 0.00 C ATOM 1263 C GLU A 74 -10.133 3.198 -11.748 1.00 0.00 C ATOM 1264 O GLU A 74 -8.945 2.925 -11.945 1.00 0.00 O ATOM 1265 CB GLU A 74 -11.352 2.001 -9.895 1.00 0.00 C ATOM 1266 CG GLU A 74 -12.829 1.833 -9.510 1.00 0.00 C ATOM 1267 CD GLU A 74 -13.055 2.127 -8.024 1.00 0.00 C ATOM 1268 OE1 GLU A 74 -13.035 3.329 -7.673 1.00 0.00 O ATOM 1269 OE2 GLU A 74 -13.262 1.156 -7.262 1.00 0.00 O ATOM 0 H GLU A 74 -10.643 0.088 -11.281 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.107 2.371 -11.887 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -10.779 1.158 -9.510 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -10.954 2.899 -9.422 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -13.442 2.503 -10.113 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -13.152 0.817 -9.735 1.00 0.00 H new