USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 589 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 4 THR OG1 : rot -49:sc= 0.752 USER MOD Set 1.2: A 7 THR OG1 : rot 101:sc= 1.18 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= -0.414 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.187 K(o=-0.19,f=-0.76) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 81:sc= 0.0372 USER MOD Single : A 31 MET CE :methyl -171:sc= -3.08! (180deg=-3.65!) USER MOD Single : A 35 SER OG : rot -134:sc= 0.631 USER MOD Single : A 36 SER OG : rot 36:sc= 0.871 USER MOD Single : A 38 ASN : amide:sc= -0.334 K(o=-0.33,f=-3.7!) USER MOD Single : A 50 HIS : no HE2:sc= -1.98 K(o=-2,f=-3.3!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.681 USER MOD Single : A 57 SER OG : rot 22:sc= 0.158 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 37 N TYR A 3 -16.467 -14.908 -9.705 1.00 0.00 N ATOM 38 CA TYR A 3 -15.827 -14.089 -8.676 1.00 0.00 C ATOM 39 C TYR A 3 -16.561 -14.262 -7.357 1.00 0.00 C ATOM 40 O TYR A 3 -17.790 -14.246 -7.321 1.00 0.00 O ATOM 41 CB TYR A 3 -15.867 -12.620 -9.093 1.00 0.00 C ATOM 42 CG TYR A 3 -15.176 -12.470 -10.426 1.00 0.00 C ATOM 43 CD1 TYR A 3 -13.796 -12.251 -10.488 1.00 0.00 C ATOM 44 CD2 TYR A 3 -15.922 -12.564 -11.606 1.00 0.00 C ATOM 45 CE1 TYR A 3 -13.164 -12.126 -11.729 1.00 0.00 C ATOM 46 CE2 TYR A 3 -15.291 -12.437 -12.846 1.00 0.00 C ATOM 47 CZ TYR A 3 -13.912 -12.217 -12.908 1.00 0.00 C ATOM 48 OH TYR A 3 -13.286 -12.092 -14.132 1.00 0.00 O ATOM 0 HA TYR A 3 -14.790 -14.404 -8.557 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -16.899 -12.276 -9.163 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -15.375 -12.002 -8.342 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -13.219 -12.178 -9.578 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -16.987 -12.735 -11.558 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -12.098 -11.959 -11.778 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -15.868 -12.509 -13.756 1.00 0.00 H new ATOM 0 HH TYR A 3 -13.948 -12.181 -14.849 1.00 0.00 H new ATOM 58 N THR A 4 -15.807 -14.439 -6.269 1.00 0.00 N ATOM 59 CA THR A 4 -16.412 -14.626 -4.947 1.00 0.00 C ATOM 60 C THR A 4 -15.728 -13.721 -3.917 1.00 0.00 C ATOM 61 O THR A 4 -14.581 -13.317 -4.116 1.00 0.00 O ATOM 62 CB THR A 4 -16.282 -16.096 -4.506 1.00 0.00 C ATOM 63 OG1 THR A 4 -15.134 -16.244 -3.682 1.00 0.00 O ATOM 64 CG2 THR A 4 -16.143 -16.998 -5.732 1.00 0.00 C ATOM 0 H THR A 4 -14.787 -14.457 -6.276 1.00 0.00 H new ATOM 0 HA THR A 4 -17.468 -14.362 -5.010 1.00 0.00 H new ATOM 0 HB THR A 4 -17.174 -16.381 -3.949 1.00 0.00 H new ATOM 0 HG1 THR A 4 -14.364 -15.821 -4.115 1.00 0.00 H new ATOM 0 HG21 THR A 4 -16.052 -18.036 -5.412 1.00 0.00 H new ATOM 0 HG22 THR A 4 -17.024 -16.890 -6.365 1.00 0.00 H new ATOM 0 HG23 THR A 4 -15.254 -16.712 -6.295 1.00 0.00 H new ATOM 72 N PRO A 5 -16.386 -13.404 -2.825 1.00 0.00 N ATOM 73 CA PRO A 5 -15.792 -12.534 -1.767 1.00 0.00 C ATOM 74 C PRO A 5 -14.398 -12.993 -1.337 1.00 0.00 C ATOM 75 O PRO A 5 -13.543 -12.168 -1.021 1.00 0.00 O ATOM 76 CB PRO A 5 -16.779 -12.642 -0.592 1.00 0.00 C ATOM 77 CG PRO A 5 -18.088 -13.031 -1.204 1.00 0.00 C ATOM 78 CD PRO A 5 -17.762 -13.822 -2.479 1.00 0.00 C ATOM 0 HA PRO A 5 -15.655 -11.514 -2.127 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -16.448 -13.387 0.132 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -16.861 -11.694 -0.060 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -18.674 -13.636 -0.512 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -18.683 -12.148 -1.438 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -17.820 -14.897 -2.306 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -18.462 -13.590 -3.281 1.00 0.00 H new ATOM 86 N ASP A 6 -14.174 -14.309 -1.315 1.00 0.00 N ATOM 87 CA ASP A 6 -12.879 -14.854 -0.906 1.00 0.00 C ATOM 88 C ASP A 6 -12.458 -15.971 -1.842 1.00 0.00 C ATOM 89 O ASP A 6 -12.873 -17.119 -1.678 1.00 0.00 O ATOM 90 CB ASP A 6 -12.973 -15.401 0.519 1.00 0.00 C ATOM 91 CG ASP A 6 -11.614 -15.929 0.967 1.00 0.00 C ATOM 92 OD1 ASP A 6 -10.713 -15.962 0.145 1.00 0.00 O ATOM 93 OD2 ASP A 6 -11.492 -16.291 2.127 1.00 0.00 O ATOM 0 H ASP A 6 -14.867 -15.011 -1.574 1.00 0.00 H new ATOM 0 HA ASP A 6 -12.138 -14.055 -0.945 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -13.309 -14.616 1.197 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -13.714 -16.199 0.563 1.00 0.00 H new ATOM 98 N THR A 7 -11.630 -15.635 -2.827 1.00 0.00 N ATOM 99 CA THR A 7 -11.157 -16.627 -3.794 1.00 0.00 C ATOM 100 C THR A 7 -9.638 -16.518 -3.955 1.00 0.00 C ATOM 101 O THR A 7 -9.103 -15.427 -4.156 1.00 0.00 O ATOM 102 CB THR A 7 -11.860 -16.393 -5.145 1.00 0.00 C ATOM 103 OG1 THR A 7 -13.111 -15.758 -4.912 1.00 0.00 O ATOM 104 CG2 THR A 7 -12.121 -17.726 -5.851 1.00 0.00 C ATOM 0 H THR A 7 -11.273 -14.691 -2.978 1.00 0.00 H new ATOM 0 HA THR A 7 -11.393 -17.629 -3.436 1.00 0.00 H new ATOM 0 HB THR A 7 -11.219 -15.771 -5.770 1.00 0.00 H new ATOM 0 HG1 THR A 7 -13.031 -14.799 -5.098 1.00 0.00 H new ATOM 0 HG21 THR A 7 -12.618 -17.542 -6.803 1.00 0.00 H new ATOM 0 HG22 THR A 7 -11.174 -18.235 -6.028 1.00 0.00 H new ATOM 0 HG23 THR A 7 -12.757 -18.351 -5.224 1.00 0.00 H new ATOM 112 N ALA A 8 -8.954 -17.655 -3.871 1.00 0.00 N ATOM 113 CA ALA A 8 -7.498 -17.676 -4.019 1.00 0.00 C ATOM 114 C ALA A 8 -7.141 -17.883 -5.481 1.00 0.00 C ATOM 115 O ALA A 8 -7.227 -18.996 -6.001 1.00 0.00 O ATOM 116 CB ALA A 8 -6.905 -18.813 -3.186 1.00 0.00 C ATOM 0 H ALA A 8 -9.377 -18.568 -3.703 1.00 0.00 H new ATOM 0 HA ALA A 8 -7.090 -16.727 -3.672 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.821 -18.822 -3.302 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -7.157 -18.664 -2.136 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -7.314 -19.765 -3.526 1.00 0.00 H new ATOM 122 N TRP A 9 -6.755 -16.800 -6.152 1.00 0.00 N ATOM 123 CA TRP A 9 -6.400 -16.859 -7.574 1.00 0.00 C ATOM 124 C TRP A 9 -4.889 -16.763 -7.743 1.00 0.00 C ATOM 125 O TRP A 9 -4.214 -16.045 -7.006 1.00 0.00 O ATOM 126 CB TRP A 9 -7.081 -15.705 -8.337 1.00 0.00 C ATOM 127 CG TRP A 9 -8.515 -16.041 -8.648 1.00 0.00 C ATOM 128 CD1 TRP A 9 -9.268 -16.952 -7.989 1.00 0.00 C ATOM 129 CD2 TRP A 9 -9.376 -15.485 -9.689 1.00 0.00 C ATOM 130 NE1 TRP A 9 -10.525 -16.992 -8.555 1.00 0.00 N ATOM 131 CE2 TRP A 9 -10.643 -16.108 -9.602 1.00 0.00 C ATOM 132 CE3 TRP A 9 -9.186 -14.512 -10.690 1.00 0.00 C ATOM 133 CZ2 TRP A 9 -11.682 -15.782 -10.470 1.00 0.00 C ATOM 134 CZ3 TRP A 9 -10.232 -14.178 -11.568 1.00 0.00 C ATOM 135 CH2 TRP A 9 -11.479 -14.814 -11.458 1.00 0.00 C ATOM 0 H TRP A 9 -6.679 -15.871 -5.738 1.00 0.00 H new ATOM 0 HA TRP A 9 -6.744 -17.810 -7.980 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -7.038 -14.794 -7.741 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -6.541 -15.506 -9.263 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -8.938 -17.552 -7.154 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -11.276 -17.603 -8.236 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -8.230 -14.019 -10.784 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -12.639 -16.274 -10.380 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -10.076 -13.429 -12.330 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -12.280 -14.556 -12.135 1.00 0.00 H new ATOM 146 N LYS A 10 -4.367 -17.496 -8.722 1.00 0.00 N ATOM 147 CA LYS A 10 -2.932 -17.499 -8.997 1.00 0.00 C ATOM 148 C LYS A 10 -2.617 -16.504 -10.102 1.00 0.00 C ATOM 149 O LYS A 10 -3.437 -16.292 -10.991 1.00 0.00 O ATOM 150 CB LYS A 10 -2.488 -18.885 -9.442 1.00 0.00 C ATOM 151 CG LYS A 10 -0.958 -18.943 -9.461 1.00 0.00 C ATOM 152 CD LYS A 10 -0.487 -20.315 -9.958 1.00 0.00 C ATOM 153 CE LYS A 10 -0.772 -21.398 -8.911 1.00 0.00 C ATOM 154 NZ LYS A 10 0.000 -22.622 -9.256 1.00 0.00 N ATOM 0 H LYS A 10 -4.915 -18.096 -9.339 1.00 0.00 H new ATOM 0 HA LYS A 10 -2.402 -17.221 -8.086 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.884 -19.641 -8.764 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.884 -19.106 -10.433 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.565 -18.159 -10.108 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.567 -18.756 -8.461 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.993 -20.562 -10.891 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.581 -20.282 -10.173 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.493 -21.044 -7.918 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.838 -21.622 -8.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.188 -23.362 -8.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.287 -22.960 -10.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 1.016 -22.401 -9.263 1.00 0.00 H new ATOM 168 N ILE A 11 -1.432 -15.896 -10.040 1.00 0.00 N ATOM 169 CA ILE A 11 -1.022 -14.912 -11.047 1.00 0.00 C ATOM 170 C ILE A 11 -0.086 -15.564 -12.062 1.00 0.00 C ATOM 171 O ILE A 11 0.959 -16.103 -11.695 1.00 0.00 O ATOM 172 CB ILE A 11 -0.288 -13.750 -10.366 1.00 0.00 C ATOM 173 CG1 ILE A 11 -1.138 -13.211 -9.215 1.00 0.00 C ATOM 174 CG2 ILE A 11 -0.057 -12.613 -11.375 1.00 0.00 C ATOM 175 CD1 ILE A 11 -0.291 -12.268 -8.360 1.00 0.00 C ATOM 0 H ILE A 11 -0.742 -16.065 -9.308 1.00 0.00 H new ATOM 0 HA ILE A 11 -1.910 -14.539 -11.557 1.00 0.00 H new ATOM 0 HB ILE A 11 0.669 -14.112 -9.990 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.008 -12.683 -9.606 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.512 -14.035 -8.607 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.465 -11.791 -10.884 1.00 0.00 H new ATOM 0 HG22 ILE A 11 0.545 -12.981 -12.206 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.017 -12.260 -11.751 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.894 -11.882 -7.538 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.565 -12.811 -7.958 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.061 -11.438 -8.973 1.00 0.00 H new ATOM 187 N THR A 12 -0.459 -15.504 -13.341 1.00 0.00 N ATOM 188 CA THR A 12 0.361 -16.086 -14.407 1.00 0.00 C ATOM 189 C THR A 12 1.103 -14.989 -15.167 1.00 0.00 C ATOM 190 O THR A 12 2.309 -15.088 -15.400 1.00 0.00 O ATOM 191 CB THR A 12 -0.533 -16.872 -15.368 1.00 0.00 C ATOM 192 OG1 THR A 12 -1.075 -17.998 -14.691 1.00 0.00 O ATOM 193 CG2 THR A 12 0.282 -17.343 -16.575 1.00 0.00 C ATOM 0 H THR A 12 -1.319 -15.061 -13.664 1.00 0.00 H new ATOM 0 HA THR A 12 1.095 -16.758 -13.962 1.00 0.00 H new ATOM 0 HB THR A 12 -1.341 -16.228 -15.715 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.650 -18.503 -15.304 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.363 -17.902 -17.254 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.694 -16.479 -17.095 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.095 -17.985 -16.237 1.00 0.00 H new ATOM 201 N GLY A 13 0.376 -13.944 -15.548 1.00 0.00 N ATOM 202 CA GLY A 13 0.975 -12.832 -16.277 1.00 0.00 C ATOM 203 C GLY A 13 -0.085 -12.015 -17.004 1.00 0.00 C ATOM 204 O GLY A 13 -1.243 -12.415 -17.093 1.00 0.00 O ATOM 0 H GLY A 13 -0.623 -13.844 -15.366 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.520 -12.191 -15.584 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.700 -13.214 -16.996 1.00 0.00 H new ATOM 208 N PHE A 14 0.321 -10.863 -17.527 1.00 0.00 N ATOM 209 CA PHE A 14 -0.597 -9.988 -18.249 1.00 0.00 C ATOM 210 C PHE A 14 -0.735 -10.438 -19.703 1.00 0.00 C ATOM 211 O PHE A 14 0.190 -11.012 -20.278 1.00 0.00 O ATOM 212 CB PHE A 14 -0.092 -8.540 -18.193 1.00 0.00 C ATOM 213 CG PHE A 14 1.414 -8.533 -18.175 1.00 0.00 C ATOM 214 CD1 PHE A 14 2.097 -8.762 -16.976 1.00 0.00 C ATOM 215 CD2 PHE A 14 2.122 -8.293 -19.353 1.00 0.00 C ATOM 216 CE1 PHE A 14 3.496 -8.748 -16.957 1.00 0.00 C ATOM 217 CE2 PHE A 14 3.522 -8.278 -19.336 1.00 0.00 C ATOM 218 CZ PHE A 14 4.209 -8.505 -18.137 1.00 0.00 C ATOM 0 H PHE A 14 1.277 -10.514 -17.465 1.00 0.00 H new ATOM 0 HA PHE A 14 -1.577 -10.044 -17.775 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.458 -7.982 -19.055 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.479 -8.043 -17.304 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.545 -8.949 -16.067 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.591 -8.119 -20.277 1.00 0.00 H new ATOM 0 HE1 PHE A 14 4.026 -8.925 -16.032 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.072 -8.092 -20.247 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.289 -8.493 -18.123 1.00 0.00 H new ATOM 228 N SER A 15 -1.896 -10.163 -20.289 1.00 0.00 N ATOM 229 CA SER A 15 -2.156 -10.532 -21.677 1.00 0.00 C ATOM 230 C SER A 15 -1.568 -9.493 -22.626 1.00 0.00 C ATOM 231 O SER A 15 -1.061 -8.462 -22.192 1.00 0.00 O ATOM 232 CB SER A 15 -3.659 -10.643 -21.912 1.00 0.00 C ATOM 233 OG SER A 15 -3.904 -10.840 -23.298 1.00 0.00 O ATOM 0 H SER A 15 -2.670 -9.687 -19.826 1.00 0.00 H new ATOM 0 HA SER A 15 -1.684 -11.495 -21.872 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.068 -11.474 -21.337 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.160 -9.739 -21.567 1.00 0.00 H new ATOM 0 HG SER A 15 -4.869 -10.914 -23.452 1.00 0.00 H new ATOM 239 N ARG A 16 -1.637 -9.774 -23.922 1.00 0.00 N ATOM 240 CA ARG A 16 -1.109 -8.855 -24.924 1.00 0.00 C ATOM 241 C ARG A 16 -1.975 -7.603 -25.028 1.00 0.00 C ATOM 242 O ARG A 16 -1.463 -6.493 -25.180 1.00 0.00 O ATOM 243 CB ARG A 16 -1.056 -9.551 -26.283 1.00 0.00 C ATOM 244 CG ARG A 16 0.027 -10.630 -26.258 1.00 0.00 C ATOM 245 CD ARG A 16 -0.012 -11.413 -27.568 1.00 0.00 C ATOM 246 NE ARG A 16 0.299 -10.536 -28.690 1.00 0.00 N ATOM 247 CZ ARG A 16 0.167 -10.954 -29.943 1.00 0.00 C ATOM 248 NH1 ARG A 16 -0.246 -12.167 -30.186 1.00 0.00 N ATOM 249 NH2 ARG A 16 0.449 -10.150 -30.933 1.00 0.00 N ATOM 0 H ARG A 16 -2.051 -10.625 -24.302 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.105 -8.558 -24.620 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.024 -9.996 -26.514 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.844 -8.825 -27.068 1.00 0.00 H new ATOM 0 HG2 ARG A 16 1.008 -10.174 -26.122 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.132 -11.302 -25.414 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.704 -12.234 -27.530 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -0.998 -11.856 -27.706 1.00 0.00 H new ATOM 0 HE ARG A 16 0.623 -9.586 -28.509 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -0.468 -12.795 -29.413 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.347 -12.488 -31.149 1.00 0.00 H new ATOM 0 HH21 ARG A 16 0.771 -9.201 -30.743 1.00 0.00 H new ATOM 0 HH22 ARG A 16 0.348 -10.471 -31.896 1.00 0.00 H new ATOM 263 N GLU A 17 -3.289 -7.792 -24.959 1.00 0.00 N ATOM 264 CA GLU A 17 -4.225 -6.676 -25.062 1.00 0.00 C ATOM 265 C GLU A 17 -4.156 -5.809 -23.807 1.00 0.00 C ATOM 266 O GLU A 17 -4.714 -4.714 -23.761 1.00 0.00 O ATOM 267 CB GLU A 17 -5.649 -7.210 -25.253 1.00 0.00 C ATOM 268 CG GLU A 17 -6.582 -6.061 -25.657 1.00 0.00 C ATOM 269 CD GLU A 17 -7.970 -6.596 -25.991 1.00 0.00 C ATOM 270 OE1 GLU A 17 -8.232 -7.745 -25.682 1.00 0.00 O ATOM 271 OE2 GLU A 17 -8.752 -5.846 -26.553 1.00 0.00 O ATOM 0 H GLU A 17 -3.729 -8.703 -24.833 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.953 -6.065 -25.923 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.657 -7.985 -26.020 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.002 -7.671 -24.330 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.650 -5.337 -24.845 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.171 -5.536 -26.519 1.00 0.00 H new ATOM 278 N ILE A 18 -3.460 -6.308 -22.788 1.00 0.00 N ATOM 279 CA ILE A 18 -3.322 -5.572 -21.533 1.00 0.00 C ATOM 280 C ILE A 18 -3.084 -4.088 -21.799 1.00 0.00 C ATOM 281 O ILE A 18 -2.495 -3.717 -22.814 1.00 0.00 O ATOM 282 CB ILE A 18 -2.150 -6.142 -20.725 1.00 0.00 C ATOM 283 CG1 ILE A 18 -2.110 -5.499 -19.329 1.00 0.00 C ATOM 284 CG2 ILE A 18 -0.839 -5.853 -21.458 1.00 0.00 C ATOM 285 CD1 ILE A 18 -3.369 -5.871 -18.528 1.00 0.00 C ATOM 0 H ILE A 18 -2.986 -7.211 -22.805 1.00 0.00 H new ATOM 0 HA ILE A 18 -4.247 -5.681 -20.966 1.00 0.00 H new ATOM 0 HB ILE A 18 -2.281 -7.219 -20.617 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.220 -5.832 -18.794 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.039 -4.415 -19.423 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.005 -6.258 -20.885 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.862 -6.319 -22.443 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.714 -4.776 -21.569 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.324 -5.407 -17.543 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.254 -5.516 -19.056 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -3.423 -6.954 -18.417 1.00 0.00 H new ATOM 297 N SER A 19 -3.546 -3.246 -20.882 1.00 0.00 N ATOM 298 CA SER A 19 -3.379 -1.807 -21.032 1.00 0.00 C ATOM 299 C SER A 19 -1.927 -1.405 -20.743 1.00 0.00 C ATOM 300 O SER A 19 -1.220 -2.093 -20.006 1.00 0.00 O ATOM 301 CB SER A 19 -4.339 -1.079 -20.081 1.00 0.00 C ATOM 302 OG SER A 19 -5.537 -0.769 -20.779 1.00 0.00 O ATOM 0 H SER A 19 -4.035 -3.532 -20.034 1.00 0.00 H new ATOM 0 HA SER A 19 -3.612 -1.523 -22.058 1.00 0.00 H new ATOM 0 HB2 SER A 19 -4.559 -1.705 -19.216 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.876 -0.167 -19.705 1.00 0.00 H new ATOM 0 HG SER A 19 -6.156 -0.305 -20.177 1.00 0.00 H new ATOM 308 N PRO A 20 -1.477 -0.309 -21.304 1.00 0.00 N ATOM 309 CA PRO A 20 -0.080 0.185 -21.098 1.00 0.00 C ATOM 310 C PRO A 20 0.178 0.601 -19.647 1.00 0.00 C ATOM 311 O PRO A 20 1.301 0.498 -19.155 1.00 0.00 O ATOM 312 CB PRO A 20 0.025 1.389 -22.055 1.00 0.00 C ATOM 313 CG PRO A 20 -1.385 1.842 -22.265 1.00 0.00 C ATOM 314 CD PRO A 20 -2.245 0.583 -22.188 1.00 0.00 C ATOM 0 HA PRO A 20 0.664 -0.586 -21.300 1.00 0.00 H new ATOM 0 HB2 PRO A 20 0.635 2.183 -21.624 1.00 0.00 H new ATOM 0 HB3 PRO A 20 0.492 1.104 -22.998 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -1.681 2.564 -21.504 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -1.498 2.333 -23.231 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -3.233 0.797 -21.781 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -2.395 0.139 -23.172 1.00 0.00 H new ATOM 322 N ALA A 21 -0.864 1.080 -18.977 1.00 0.00 N ATOM 323 CA ALA A 21 -0.734 1.520 -17.591 1.00 0.00 C ATOM 324 C ALA A 21 -0.422 0.346 -16.663 1.00 0.00 C ATOM 325 O ALA A 21 0.559 0.372 -15.916 1.00 0.00 O ATOM 326 CB ALA A 21 -2.034 2.191 -17.139 1.00 0.00 C ATOM 0 H ALA A 21 -1.802 1.174 -19.367 1.00 0.00 H new ATOM 0 HA ALA A 21 0.091 2.230 -17.538 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.934 2.518 -16.104 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.238 3.053 -17.774 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.857 1.480 -17.217 1.00 0.00 H new ATOM 332 N TYR A 22 -1.261 -0.682 -16.715 1.00 0.00 N ATOM 333 CA TYR A 22 -1.068 -1.854 -15.874 1.00 0.00 C ATOM 334 C TYR A 22 0.241 -2.555 -16.238 1.00 0.00 C ATOM 335 O TYR A 22 1.035 -2.925 -15.368 1.00 0.00 O ATOM 336 CB TYR A 22 -2.247 -2.811 -16.048 1.00 0.00 C ATOM 337 CG TYR A 22 -2.053 -4.022 -15.171 1.00 0.00 C ATOM 338 CD1 TYR A 22 -1.314 -5.111 -15.643 1.00 0.00 C ATOM 339 CD2 TYR A 22 -2.616 -4.057 -13.886 1.00 0.00 C ATOM 340 CE1 TYR A 22 -1.136 -6.236 -14.834 1.00 0.00 C ATOM 341 CE2 TYR A 22 -2.438 -5.184 -13.079 1.00 0.00 C ATOM 342 CZ TYR A 22 -1.699 -6.273 -13.551 1.00 0.00 C ATOM 343 OH TYR A 22 -1.522 -7.384 -12.752 1.00 0.00 O ATOM 0 H TYR A 22 -2.076 -0.727 -17.327 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.014 -1.541 -14.831 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -3.178 -2.307 -15.788 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.330 -3.115 -17.091 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.881 -5.083 -16.632 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.186 -3.215 -13.522 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.564 -7.077 -15.197 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -2.871 -5.214 -12.090 1.00 0.00 H new ATOM 0 HH TYR A 22 -1.976 -7.246 -11.894 1.00 0.00 H new ATOM 353 N ARG A 23 0.463 -2.724 -17.536 1.00 0.00 N ATOM 354 CA ARG A 23 1.675 -3.373 -18.011 1.00 0.00 C ATOM 355 C ARG A 23 2.904 -2.627 -17.511 1.00 0.00 C ATOM 356 O ARG A 23 3.867 -3.234 -17.032 1.00 0.00 O ATOM 357 CB ARG A 23 1.681 -3.398 -19.537 1.00 0.00 C ATOM 358 CG ARG A 23 2.784 -4.337 -20.026 1.00 0.00 C ATOM 359 CD ARG A 23 2.759 -4.404 -21.555 1.00 0.00 C ATOM 360 NE ARG A 23 3.051 -3.090 -22.125 1.00 0.00 N ATOM 361 CZ ARG A 23 4.301 -2.686 -22.335 1.00 0.00 C ATOM 362 NH1 ARG A 23 5.301 -3.466 -22.028 1.00 0.00 N ATOM 363 NH2 ARG A 23 4.528 -1.508 -22.850 1.00 0.00 N ATOM 0 H ARG A 23 -0.176 -2.423 -18.272 1.00 0.00 H new ATOM 0 HA ARG A 23 1.699 -4.393 -17.629 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.713 -3.732 -19.910 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.844 -2.393 -19.927 1.00 0.00 H new ATOM 0 HG2 ARG A 23 3.756 -3.983 -19.683 1.00 0.00 H new ATOM 0 HG3 ARG A 23 2.641 -5.333 -19.606 1.00 0.00 H new ATOM 0 HD2 ARG A 23 3.491 -5.131 -21.906 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.782 -4.746 -21.895 1.00 0.00 H new ATOM 0 HE ARG A 23 2.279 -2.469 -22.367 1.00 0.00 H new ATOM 0 HH11 ARG A 23 5.125 -4.387 -21.626 1.00 0.00 H new ATOM 0 HH12 ARG A 23 6.259 -3.155 -22.190 1.00 0.00 H new ATOM 0 HH21 ARG A 23 3.747 -0.898 -23.091 1.00 0.00 H new ATOM 0 HH22 ARG A 23 5.486 -1.198 -23.011 1.00 0.00 H new ATOM 377 N GLN A 24 2.861 -1.303 -17.610 1.00 0.00 N ATOM 378 CA GLN A 24 3.973 -0.490 -17.154 1.00 0.00 C ATOM 379 C GLN A 24 4.167 -0.703 -15.661 1.00 0.00 C ATOM 380 O GLN A 24 5.293 -0.690 -15.162 1.00 0.00 O ATOM 381 CB GLN A 24 3.703 0.990 -17.441 1.00 0.00 C ATOM 382 CG GLN A 24 4.940 1.821 -17.086 1.00 0.00 C ATOM 383 CD GLN A 24 6.095 1.465 -18.016 1.00 0.00 C ATOM 384 OE1 GLN A 24 5.895 1.288 -19.218 1.00 0.00 O ATOM 385 NE2 GLN A 24 7.299 1.340 -17.527 1.00 0.00 N ATOM 0 H GLN A 24 2.077 -0.779 -17.998 1.00 0.00 H new ATOM 0 HA GLN A 24 4.877 -0.785 -17.687 1.00 0.00 H new ATOM 0 HB2 GLN A 24 3.452 1.126 -18.493 1.00 0.00 H new ATOM 0 HB3 GLN A 24 2.845 1.332 -16.862 1.00 0.00 H new ATOM 0 HG2 GLN A 24 4.710 2.883 -17.169 1.00 0.00 H new ATOM 0 HG3 GLN A 24 5.227 1.637 -16.051 1.00 0.00 H new ATOM 0 HE21 GLN A 24 7.463 1.487 -16.531 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.076 1.095 -18.141 1.00 0.00 H new ATOM 394 N LYS A 25 3.062 -0.913 -14.949 1.00 0.00 N ATOM 395 CA LYS A 25 3.139 -1.142 -13.514 1.00 0.00 C ATOM 396 C LYS A 25 3.988 -2.374 -13.226 1.00 0.00 C ATOM 397 O LYS A 25 4.888 -2.325 -12.393 1.00 0.00 O ATOM 398 CB LYS A 25 1.734 -1.346 -12.937 1.00 0.00 C ATOM 399 CG LYS A 25 1.765 -1.134 -11.419 1.00 0.00 C ATOM 400 CD LYS A 25 0.348 -1.244 -10.839 1.00 0.00 C ATOM 401 CE LYS A 25 -0.453 0.036 -11.122 1.00 0.00 C ATOM 402 NZ LYS A 25 -1.707 0.013 -10.323 1.00 0.00 N ATOM 0 H LYS A 25 2.119 -0.929 -15.337 1.00 0.00 H new ATOM 0 HA LYS A 25 3.597 -0.270 -13.047 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.036 -0.647 -13.398 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.378 -2.350 -13.167 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.415 -1.876 -10.954 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.185 -0.154 -11.190 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.163 -2.103 -11.274 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.402 -1.416 -9.764 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.140 0.914 -10.866 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.686 0.107 -12.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.254 0.877 -10.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.272 -0.819 -10.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.473 -0.036 -9.311 1.00 0.00 H new ATOM 416 N LEU A 26 3.711 -3.471 -13.930 1.00 0.00 N ATOM 417 CA LEU A 26 4.484 -4.699 -13.724 1.00 0.00 C ATOM 418 C LEU A 26 5.952 -4.473 -14.069 1.00 0.00 C ATOM 419 O LEU A 26 6.842 -4.949 -13.363 1.00 0.00 O ATOM 420 CB LEU A 26 3.924 -5.854 -14.582 1.00 0.00 C ATOM 421 CG LEU A 26 2.765 -6.563 -13.864 1.00 0.00 C ATOM 422 CD1 LEU A 26 3.265 -7.253 -12.575 1.00 0.00 C ATOM 423 CD2 LEU A 26 1.669 -5.550 -13.527 1.00 0.00 C ATOM 0 H LEU A 26 2.975 -3.538 -14.633 1.00 0.00 H new ATOM 0 HA LEU A 26 4.401 -4.971 -12.672 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.579 -5.466 -15.540 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.717 -6.571 -14.795 1.00 0.00 H new ATOM 0 HG LEU A 26 2.357 -7.327 -14.526 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.430 -7.749 -12.081 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.027 -7.990 -12.829 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.692 -6.507 -11.905 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.849 -6.057 -13.018 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.077 -4.776 -12.877 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.299 -5.095 -14.446 1.00 0.00 H new ATOM 435 N LEU A 27 6.202 -3.754 -15.151 1.00 0.00 N ATOM 436 CA LEU A 27 7.574 -3.490 -15.564 1.00 0.00 C ATOM 437 C LEU A 27 8.311 -2.700 -14.489 1.00 0.00 C ATOM 438 O LEU A 27 9.485 -2.953 -14.216 1.00 0.00 O ATOM 439 CB LEU A 27 7.587 -2.709 -16.879 1.00 0.00 C ATOM 440 CG LEU A 27 7.097 -3.609 -18.022 1.00 0.00 C ATOM 441 CD1 LEU A 27 6.882 -2.755 -19.274 1.00 0.00 C ATOM 442 CD2 LEU A 27 8.132 -4.717 -18.317 1.00 0.00 C ATOM 0 H LEU A 27 5.486 -3.347 -15.753 1.00 0.00 H new ATOM 0 HA LEU A 27 8.080 -4.444 -15.709 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.948 -1.830 -16.797 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.595 -2.352 -17.091 1.00 0.00 H new ATOM 0 HG LEU A 27 6.159 -4.081 -17.730 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.534 -3.388 -20.091 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.137 -1.987 -19.067 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.822 -2.282 -19.557 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.770 -5.346 -19.130 1.00 0.00 H new ATOM 0 HD22 LEU A 27 9.080 -4.262 -18.605 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.278 -5.325 -17.424 1.00 0.00 H new ATOM 454 N SER A 28 7.616 -1.744 -13.884 1.00 0.00 N ATOM 455 CA SER A 28 8.219 -0.920 -12.838 1.00 0.00 C ATOM 456 C SER A 28 8.173 -1.634 -11.490 1.00 0.00 C ATOM 457 O SER A 28 8.832 -1.217 -10.537 1.00 0.00 O ATOM 458 CB SER A 28 7.483 0.415 -12.733 1.00 0.00 C ATOM 459 OG SER A 28 7.619 1.123 -13.959 1.00 0.00 O ATOM 0 H SER A 28 6.644 -1.520 -14.095 1.00 0.00 H new ATOM 0 HA SER A 28 9.261 -0.742 -13.104 1.00 0.00 H new ATOM 0 HB2 SER A 28 6.429 0.246 -12.512 1.00 0.00 H new ATOM 0 HB3 SER A 28 7.890 1.005 -11.912 1.00 0.00 H new ATOM 0 HG SER A 28 6.968 0.782 -14.608 1.00 0.00 H new ATOM 465 N LEU A 29 7.391 -2.710 -11.410 1.00 0.00 N ATOM 466 CA LEU A 29 7.267 -3.468 -10.170 1.00 0.00 C ATOM 467 C LEU A 29 8.223 -4.657 -10.183 1.00 0.00 C ATOM 468 O LEU A 29 8.191 -5.482 -11.097 1.00 0.00 O ATOM 469 CB LEU A 29 5.831 -3.978 -10.029 1.00 0.00 C ATOM 470 CG LEU A 29 5.575 -4.468 -8.596 1.00 0.00 C ATOM 471 CD1 LEU A 29 5.327 -3.276 -7.662 1.00 0.00 C ATOM 472 CD2 LEU A 29 4.346 -5.379 -8.591 1.00 0.00 C ATOM 0 H LEU A 29 6.837 -3.073 -12.186 1.00 0.00 H new ATOM 0 HA LEU A 29 7.515 -2.819 -9.330 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.129 -3.182 -10.279 1.00 0.00 H new ATOM 0 HB3 LEU A 29 5.656 -4.790 -10.735 1.00 0.00 H new ATOM 0 HG LEU A 29 6.449 -5.016 -8.244 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.147 -3.638 -6.650 1.00 0.00 H new ATOM 0 HD12 LEU A 29 6.201 -2.624 -7.664 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.457 -2.718 -8.008 1.00 0.00 H new ATOM 0 HD21 LEU A 29 4.158 -5.731 -7.577 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.479 -4.823 -8.949 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.524 -6.233 -9.244 1.00 0.00 H new ATOM 484 N GLY A 30 9.071 -4.739 -9.165 1.00 0.00 N ATOM 485 CA GLY A 30 10.033 -5.831 -9.070 1.00 0.00 C ATOM 486 C GLY A 30 9.380 -7.084 -8.511 1.00 0.00 C ATOM 487 O GLY A 30 10.062 -8.038 -8.134 1.00 0.00 O ATOM 0 H GLY A 30 9.113 -4.068 -8.398 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.448 -6.042 -10.056 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.864 -5.534 -8.431 1.00 0.00 H new ATOM 491 N MET A 31 8.049 -7.077 -8.465 1.00 0.00 N ATOM 492 CA MET A 31 7.288 -8.222 -7.962 1.00 0.00 C ATOM 493 C MET A 31 6.396 -8.767 -9.070 1.00 0.00 C ATOM 494 O MET A 31 5.187 -8.548 -9.081 1.00 0.00 O ATOM 495 CB MET A 31 6.424 -7.792 -6.777 1.00 0.00 C ATOM 496 CG MET A 31 7.327 -7.301 -5.645 1.00 0.00 C ATOM 497 SD MET A 31 6.307 -6.743 -4.258 1.00 0.00 S ATOM 498 CE MET A 31 6.221 -8.327 -3.389 1.00 0.00 C ATOM 0 H MET A 31 7.474 -6.292 -8.770 1.00 0.00 H new ATOM 0 HA MET A 31 7.982 -8.998 -7.637 1.00 0.00 H new ATOM 0 HB2 MET A 31 5.739 -7.001 -7.080 1.00 0.00 H new ATOM 0 HB3 MET A 31 5.814 -8.628 -6.435 1.00 0.00 H new ATOM 0 HG2 MET A 31 7.992 -8.102 -5.322 1.00 0.00 H new ATOM 0 HG3 MET A 31 7.959 -6.485 -5.997 1.00 0.00 H new ATOM 0 HE1 MET A 31 5.501 -8.256 -2.574 1.00 0.00 H new ATOM 0 HE2 MET A 31 5.908 -9.107 -4.084 1.00 0.00 H new ATOM 0 HE3 MET A 31 7.203 -8.574 -2.985 1.00 0.00 H new ATOM 508 N LEU A 32 7.007 -9.474 -10.004 1.00 0.00 N ATOM 509 CA LEU A 32 6.274 -10.042 -11.134 1.00 0.00 C ATOM 510 C LEU A 32 5.543 -11.314 -10.693 1.00 0.00 C ATOM 511 O LEU A 32 5.803 -11.832 -9.608 1.00 0.00 O ATOM 512 CB LEU A 32 7.288 -10.345 -12.273 1.00 0.00 C ATOM 513 CG LEU A 32 7.167 -9.309 -13.412 1.00 0.00 C ATOM 514 CD1 LEU A 32 7.871 -8.014 -13.006 1.00 0.00 C ATOM 515 CD2 LEU A 32 7.816 -9.861 -14.681 1.00 0.00 C ATOM 0 H LEU A 32 8.008 -9.671 -10.007 1.00 0.00 H new ATOM 0 HA LEU A 32 5.526 -9.338 -11.497 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.302 -10.335 -11.874 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.110 -11.346 -12.666 1.00 0.00 H new ATOM 0 HG LEU A 32 6.113 -9.107 -13.601 1.00 0.00 H new ATOM 0 HD11 LEU A 32 7.784 -7.285 -13.811 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.407 -7.615 -12.104 1.00 0.00 H new ATOM 0 HD13 LEU A 32 8.924 -8.218 -12.813 1.00 0.00 H new ATOM 0 HD21 LEU A 32 7.729 -9.128 -15.483 1.00 0.00 H new ATOM 0 HD22 LEU A 32 8.869 -10.067 -14.491 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.313 -10.782 -14.976 1.00 0.00 H new ATOM 527 N PRO A 33 4.626 -11.806 -11.500 1.00 0.00 N ATOM 528 CA PRO A 33 3.842 -13.032 -11.175 1.00 0.00 C ATOM 529 C PRO A 33 4.690 -14.119 -10.529 1.00 0.00 C ATOM 530 O PRO A 33 5.907 -13.992 -10.399 1.00 0.00 O ATOM 531 CB PRO A 33 3.321 -13.502 -12.535 1.00 0.00 C ATOM 532 CG PRO A 33 3.213 -12.265 -13.368 1.00 0.00 C ATOM 533 CD PRO A 33 4.223 -11.247 -12.808 1.00 0.00 C ATOM 0 HA PRO A 33 3.055 -12.821 -10.451 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.001 -14.223 -12.989 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.354 -13.995 -12.436 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.429 -12.486 -14.413 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.201 -11.863 -13.330 1.00 0.00 H new ATOM 0 HD2 PRO A 33 5.080 -11.132 -13.472 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.772 -10.261 -12.696 1.00 0.00 H new ATOM 541 N GLY A 34 4.031 -15.203 -10.139 1.00 0.00 N ATOM 542 CA GLY A 34 4.713 -16.328 -9.510 1.00 0.00 C ATOM 543 C GLY A 34 4.162 -16.569 -8.109 1.00 0.00 C ATOM 544 O GLY A 34 4.742 -17.317 -7.320 1.00 0.00 O ATOM 0 H GLY A 34 3.024 -15.327 -10.247 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.585 -17.224 -10.117 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.783 -16.129 -9.457 1.00 0.00 H new ATOM 548 N SER A 35 3.031 -15.928 -7.808 1.00 0.00 N ATOM 549 CA SER A 35 2.386 -16.069 -6.501 1.00 0.00 C ATOM 550 C SER A 35 0.872 -16.126 -6.663 1.00 0.00 C ATOM 551 O SER A 35 0.364 -16.490 -7.724 1.00 0.00 O ATOM 552 CB SER A 35 2.752 -14.893 -5.597 1.00 0.00 C ATOM 553 OG SER A 35 2.337 -15.181 -4.269 1.00 0.00 O ATOM 0 H SER A 35 2.543 -15.306 -8.452 1.00 0.00 H new ATOM 0 HA SER A 35 2.737 -16.995 -6.046 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.827 -14.717 -5.625 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.271 -13.982 -5.952 1.00 0.00 H new ATOM 0 HG SER A 35 1.880 -14.400 -3.892 1.00 0.00 H new ATOM 559 N SER A 36 0.154 -15.768 -5.599 1.00 0.00 N ATOM 560 CA SER A 36 -1.307 -15.786 -5.624 1.00 0.00 C ATOM 561 C SER A 36 -1.877 -14.686 -4.741 1.00 0.00 C ATOM 562 O SER A 36 -1.235 -14.246 -3.787 1.00 0.00 O ATOM 563 CB SER A 36 -1.821 -17.143 -5.143 1.00 0.00 C ATOM 564 OG SER A 36 -3.237 -17.100 -5.032 1.00 0.00 O ATOM 0 H SER A 36 0.558 -15.464 -4.713 1.00 0.00 H new ATOM 0 HA SER A 36 -1.632 -15.615 -6.650 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.524 -17.925 -5.842 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.377 -17.391 -4.179 1.00 0.00 H new ATOM 0 HG SER A 36 -3.604 -16.536 -5.745 1.00 0.00 H new ATOM 570 N PHE A 37 -3.089 -14.241 -5.070 1.00 0.00 N ATOM 571 CA PHE A 37 -3.752 -13.184 -4.308 1.00 0.00 C ATOM 572 C PHE A 37 -5.168 -13.603 -3.936 1.00 0.00 C ATOM 573 O PHE A 37 -5.814 -14.365 -4.660 1.00 0.00 O ATOM 574 CB PHE A 37 -3.807 -11.899 -5.139 1.00 0.00 C ATOM 575 CG PHE A 37 -4.712 -12.092 -6.330 1.00 0.00 C ATOM 576 CD1 PHE A 37 -6.084 -11.874 -6.193 1.00 0.00 C ATOM 577 CD2 PHE A 37 -4.184 -12.477 -7.565 1.00 0.00 C ATOM 578 CE1 PHE A 37 -6.933 -12.041 -7.294 1.00 0.00 C ATOM 579 CE2 PHE A 37 -5.029 -12.647 -8.667 1.00 0.00 C ATOM 580 CZ PHE A 37 -6.406 -12.429 -8.532 1.00 0.00 C ATOM 0 H PHE A 37 -3.631 -14.595 -5.858 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.182 -13.007 -3.396 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -4.171 -11.075 -4.525 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.805 -11.629 -5.473 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -6.491 -11.577 -5.238 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -3.122 -12.644 -7.669 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -7.994 -11.871 -7.188 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.620 -12.946 -9.621 1.00 0.00 H new ATOM 0 HZ PHE A 37 -7.060 -12.560 -9.381 1.00 0.00 H new ATOM 590 N ASN A 38 -5.644 -13.094 -2.801 1.00 0.00 N ATOM 591 CA ASN A 38 -6.990 -13.407 -2.323 1.00 0.00 C ATOM 592 C ASN A 38 -7.903 -12.195 -2.480 1.00 0.00 C ATOM 593 O ASN A 38 -7.475 -11.043 -2.309 1.00 0.00 O ATOM 594 CB ASN A 38 -6.934 -13.815 -0.851 1.00 0.00 C ATOM 595 CG ASN A 38 -6.167 -15.125 -0.703 1.00 0.00 C ATOM 596 OD1 ASN A 38 -6.235 -15.987 -1.579 1.00 0.00 O ATOM 597 ND2 ASN A 38 -5.438 -15.326 0.360 1.00 0.00 N ATOM 0 H ASN A 38 -5.118 -12.464 -2.196 1.00 0.00 H new ATOM 0 HA ASN A 38 -7.388 -14.231 -2.915 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.450 -13.033 -0.266 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -7.944 -13.929 -0.458 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -4.922 -16.199 0.467 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -5.384 -14.610 1.084 1.00 0.00 H new ATOM 604 N VAL A 39 -9.163 -12.461 -2.807 1.00 0.00 N ATOM 605 CA VAL A 39 -10.133 -11.393 -2.990 1.00 0.00 C ATOM 606 C VAL A 39 -10.671 -10.925 -1.644 1.00 0.00 C ATOM 607 O VAL A 39 -11.247 -11.705 -0.888 1.00 0.00 O ATOM 608 CB VAL A 39 -11.294 -11.885 -3.857 1.00 0.00 C ATOM 609 CG1 VAL A 39 -12.156 -10.695 -4.279 1.00 0.00 C ATOM 610 CG2 VAL A 39 -10.745 -12.579 -5.107 1.00 0.00 C ATOM 0 H VAL A 39 -9.533 -13.401 -2.949 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.637 -10.558 -3.484 1.00 0.00 H new ATOM 0 HB VAL A 39 -11.897 -12.590 -3.284 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -12.983 -11.046 -4.897 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -12.550 -10.199 -3.392 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -11.550 -9.991 -4.850 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -11.574 -12.928 -5.723 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -10.140 -11.875 -5.678 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -10.130 -13.429 -4.811 1.00 0.00 H new ATOM 620 N VAL A 40 -10.482 -9.644 -1.358 1.00 0.00 N ATOM 621 CA VAL A 40 -10.963 -9.071 -0.109 1.00 0.00 C ATOM 622 C VAL A 40 -12.489 -9.030 -0.092 1.00 0.00 C ATOM 623 O VAL A 40 -13.113 -9.252 0.946 1.00 0.00 O ATOM 624 CB VAL A 40 -10.373 -7.660 0.074 1.00 0.00 C ATOM 625 CG1 VAL A 40 -10.483 -6.860 -1.239 1.00 0.00 C ATOM 626 CG2 VAL A 40 -11.124 -6.921 1.194 1.00 0.00 C ATOM 0 H VAL A 40 -10.002 -8.985 -1.971 1.00 0.00 H new ATOM 0 HA VAL A 40 -10.637 -9.697 0.721 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.321 -7.753 0.344 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -10.062 -5.865 -1.095 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -9.934 -7.376 -2.026 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.531 -6.773 -1.525 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.702 -5.924 1.319 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -12.179 -6.839 0.932 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -11.024 -7.476 2.127 1.00 0.00 H new ATOM 636 N ARG A 41 -13.080 -8.738 -1.241 1.00 0.00 N ATOM 637 CA ARG A 41 -14.528 -8.661 -1.339 1.00 0.00 C ATOM 638 C ARG A 41 -14.954 -8.512 -2.795 1.00 0.00 C ATOM 639 O ARG A 41 -14.189 -8.018 -3.623 1.00 0.00 O ATOM 640 CB ARG A 41 -15.026 -7.459 -0.532 1.00 0.00 C ATOM 641 CG ARG A 41 -14.473 -6.164 -1.141 1.00 0.00 C ATOM 642 CD ARG A 41 -14.901 -4.974 -0.281 1.00 0.00 C ATOM 643 NE ARG A 41 -14.437 -3.725 -0.878 1.00 0.00 N ATOM 644 CZ ARG A 41 -14.740 -2.549 -0.336 1.00 0.00 C ATOM 645 NH1 ARG A 41 -15.459 -2.497 0.752 1.00 0.00 N ATOM 646 NH2 ARG A 41 -14.317 -1.445 -0.891 1.00 0.00 N ATOM 0 H ARG A 41 -12.583 -8.552 -2.112 1.00 0.00 H new ATOM 0 HA ARG A 41 -14.961 -9.578 -0.940 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -16.116 -7.436 -0.531 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -14.708 -7.549 0.507 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -13.386 -6.212 -1.199 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -14.842 -6.042 -2.159 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -15.987 -4.958 -0.185 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -14.493 -5.078 0.725 1.00 0.00 H new ATOM 0 HE ARG A 41 -13.870 -3.755 -1.726 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -15.789 -3.359 1.187 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -15.691 -1.595 1.167 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -13.754 -1.485 -1.741 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -14.550 -0.543 -0.475 1.00 0.00 H new ATOM 660 N VAL A 42 -16.183 -8.920 -3.100 1.00 0.00 N ATOM 661 CA VAL A 42 -16.714 -8.805 -4.462 1.00 0.00 C ATOM 662 C VAL A 42 -18.010 -8.003 -4.440 1.00 0.00 C ATOM 663 O VAL A 42 -19.009 -8.437 -3.870 1.00 0.00 O ATOM 664 CB VAL A 42 -16.970 -10.203 -5.034 1.00 0.00 C ATOM 665 CG1 VAL A 42 -17.723 -10.096 -6.363 1.00 0.00 C ATOM 666 CG2 VAL A 42 -15.628 -10.900 -5.265 1.00 0.00 C ATOM 0 H VAL A 42 -16.830 -9.332 -2.428 1.00 0.00 H new ATOM 0 HA VAL A 42 -15.989 -8.291 -5.093 1.00 0.00 H new ATOM 0 HB VAL A 42 -17.572 -10.777 -4.330 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -17.900 -11.095 -6.762 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -18.677 -9.595 -6.201 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -17.128 -9.522 -7.073 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -15.801 -11.896 -5.672 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -15.032 -10.319 -5.969 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -15.093 -10.983 -4.319 1.00 0.00 H new ATOM 676 N ALA A 43 -17.984 -6.822 -5.058 1.00 0.00 N ATOM 677 CA ALA A 43 -19.163 -5.959 -5.096 1.00 0.00 C ATOM 678 C ALA A 43 -19.976 -6.217 -6.378 1.00 0.00 C ATOM 679 O ALA A 43 -19.504 -5.907 -7.472 1.00 0.00 O ATOM 680 CB ALA A 43 -18.716 -4.492 -5.054 1.00 0.00 C ATOM 0 H ALA A 43 -17.166 -6.444 -5.535 1.00 0.00 H new ATOM 0 HA ALA A 43 -19.793 -6.178 -4.234 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -19.592 -3.844 -5.082 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -18.158 -4.308 -4.136 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -18.080 -4.281 -5.914 1.00 0.00 H new ATOM 686 N PRO A 44 -21.171 -6.777 -6.290 1.00 0.00 N ATOM 687 CA PRO A 44 -22.001 -7.061 -7.499 1.00 0.00 C ATOM 688 C PRO A 44 -22.632 -5.795 -8.079 1.00 0.00 C ATOM 689 O PRO A 44 -23.178 -5.813 -9.183 1.00 0.00 O ATOM 690 CB PRO A 44 -23.063 -8.051 -6.998 1.00 0.00 C ATOM 691 CG PRO A 44 -23.221 -7.750 -5.541 1.00 0.00 C ATOM 692 CD PRO A 44 -21.870 -7.201 -5.053 1.00 0.00 C ATOM 0 HA PRO A 44 -21.407 -7.466 -8.318 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -24.005 -7.922 -7.531 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -22.746 -9.082 -7.155 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -24.015 -7.021 -5.381 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -23.496 -8.648 -4.988 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -22.006 -6.364 -4.368 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -21.302 -7.962 -4.518 1.00 0.00 H new ATOM 700 N LEU A 45 -22.563 -4.705 -7.321 1.00 0.00 N ATOM 701 CA LEU A 45 -23.138 -3.437 -7.760 1.00 0.00 C ATOM 702 C LEU A 45 -22.491 -2.965 -9.064 1.00 0.00 C ATOM 703 O LEU A 45 -22.773 -1.864 -9.539 1.00 0.00 O ATOM 704 CB LEU A 45 -22.941 -2.374 -6.665 1.00 0.00 C ATOM 705 CG LEU A 45 -23.994 -2.555 -5.565 1.00 0.00 C ATOM 706 CD1 LEU A 45 -23.878 -3.959 -4.967 1.00 0.00 C ATOM 707 CD2 LEU A 45 -23.769 -1.513 -4.466 1.00 0.00 C ATOM 0 H LEU A 45 -22.117 -4.673 -6.404 1.00 0.00 H new ATOM 0 HA LEU A 45 -24.203 -3.584 -7.941 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -21.941 -2.458 -6.240 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -23.021 -1.376 -7.096 1.00 0.00 H new ATOM 0 HG LEU A 45 -24.988 -2.425 -5.993 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -24.627 -4.085 -4.186 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -24.040 -4.702 -5.748 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -22.884 -4.092 -4.541 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -24.517 -1.642 -3.684 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -22.774 -1.642 -4.041 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -23.855 -0.513 -4.890 1.00 0.00 H new ATOM 719 N GLY A 46 -21.628 -3.801 -9.642 1.00 0.00 N ATOM 720 CA GLY A 46 -20.956 -3.452 -10.892 1.00 0.00 C ATOM 721 C GLY A 46 -19.658 -2.703 -10.625 1.00 0.00 C ATOM 722 O GLY A 46 -19.226 -1.882 -11.435 1.00 0.00 O ATOM 0 H GLY A 46 -21.380 -4.717 -9.268 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -20.747 -4.358 -11.461 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -21.616 -2.836 -11.504 1.00 0.00 H new ATOM 726 N ASP A 47 -19.036 -2.994 -9.484 1.00 0.00 N ATOM 727 CA ASP A 47 -17.779 -2.348 -9.109 1.00 0.00 C ATOM 728 C ASP A 47 -16.598 -3.255 -9.481 1.00 0.00 C ATOM 729 O ASP A 47 -16.766 -4.461 -9.663 1.00 0.00 O ATOM 730 CB ASP A 47 -17.788 -2.066 -7.587 1.00 0.00 C ATOM 731 CG ASP A 47 -18.035 -0.584 -7.300 1.00 0.00 C ATOM 732 OD1 ASP A 47 -19.079 -0.090 -7.692 1.00 0.00 O ATOM 733 OD2 ASP A 47 -17.176 0.032 -6.688 1.00 0.00 O ATOM 0 H ASP A 47 -19.381 -3.672 -8.804 1.00 0.00 H new ATOM 0 HA ASP A 47 -17.673 -1.405 -9.646 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -18.562 -2.666 -7.108 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -16.835 -2.369 -7.153 1.00 0.00 H new ATOM 738 N PRO A 48 -15.421 -2.695 -9.592 1.00 0.00 N ATOM 739 CA PRO A 48 -14.186 -3.460 -9.947 1.00 0.00 C ATOM 740 C PRO A 48 -13.876 -4.551 -8.926 1.00 0.00 C ATOM 741 O PRO A 48 -14.519 -4.643 -7.883 1.00 0.00 O ATOM 742 CB PRO A 48 -13.076 -2.390 -9.963 1.00 0.00 C ATOM 743 CG PRO A 48 -13.626 -1.245 -9.169 1.00 0.00 C ATOM 744 CD PRO A 48 -15.133 -1.268 -9.392 1.00 0.00 C ATOM 0 HA PRO A 48 -14.289 -3.981 -10.899 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -12.155 -2.770 -9.520 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -12.837 -2.085 -10.982 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -13.386 -1.352 -8.111 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -13.197 -0.299 -9.499 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -15.673 -0.864 -8.535 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -15.421 -0.674 -10.259 1.00 0.00 H new ATOM 752 N ILE A 49 -12.884 -5.380 -9.247 1.00 0.00 N ATOM 753 CA ILE A 49 -12.492 -6.469 -8.365 1.00 0.00 C ATOM 754 C ILE A 49 -11.393 -6.002 -7.423 1.00 0.00 C ATOM 755 O ILE A 49 -10.276 -5.706 -7.848 1.00 0.00 O ATOM 756 CB ILE A 49 -11.997 -7.643 -9.212 1.00 0.00 C ATOM 757 CG1 ILE A 49 -12.910 -7.778 -10.437 1.00 0.00 C ATOM 758 CG2 ILE A 49 -12.030 -8.935 -8.383 1.00 0.00 C ATOM 759 CD1 ILE A 49 -14.377 -7.869 -10.002 1.00 0.00 C ATOM 0 H ILE A 49 -12.341 -5.316 -10.108 1.00 0.00 H new ATOM 0 HA ILE A 49 -13.348 -6.786 -7.769 1.00 0.00 H new ATOM 0 HB ILE A 49 -10.971 -7.466 -9.534 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -12.772 -6.922 -11.097 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -12.637 -8.667 -11.006 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -11.676 -9.767 -8.992 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -11.386 -8.824 -7.511 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -13.051 -9.132 -8.057 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -15.012 -7.964 -10.883 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -14.513 -8.740 -9.360 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -14.650 -6.968 -9.453 1.00 0.00 H new ATOM 771 N HIS A 50 -11.720 -5.935 -6.136 1.00 0.00 N ATOM 772 CA HIS A 50 -10.758 -5.501 -5.129 1.00 0.00 C ATOM 773 C HIS A 50 -10.070 -6.703 -4.511 1.00 0.00 C ATOM 774 O HIS A 50 -10.730 -7.606 -3.992 1.00 0.00 O ATOM 775 CB HIS A 50 -11.463 -4.710 -4.023 1.00 0.00 C ATOM 776 CG HIS A 50 -11.866 -3.356 -4.543 1.00 0.00 C ATOM 777 ND1 HIS A 50 -11.651 -2.195 -3.816 1.00 0.00 N ATOM 778 CD2 HIS A 50 -12.470 -2.958 -5.711 1.00 0.00 C ATOM 779 CE1 HIS A 50 -12.117 -1.166 -4.545 1.00 0.00 C ATOM 780 NE2 HIS A 50 -12.628 -1.575 -5.708 1.00 0.00 N ATOM 0 H HIS A 50 -12.640 -6.175 -5.767 1.00 0.00 H new ATOM 0 HA HIS A 50 -10.019 -4.865 -5.616 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -12.342 -5.254 -3.678 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -10.801 -4.598 -3.165 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -11.218 -2.133 -2.895 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -12.776 -3.618 -6.510 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -12.082 -0.134 -4.228 1.00 0.00 H new ATOM 788 N ILE A 51 -8.742 -6.705 -4.554 1.00 0.00 N ATOM 789 CA ILE A 51 -7.960 -7.797 -3.980 1.00 0.00 C ATOM 790 C ILE A 51 -6.964 -7.252 -2.973 1.00 0.00 C ATOM 791 O ILE A 51 -6.442 -6.140 -3.132 1.00 0.00 O ATOM 792 CB ILE A 51 -7.219 -8.571 -5.082 1.00 0.00 C ATOM 793 CG1 ILE A 51 -6.313 -7.625 -5.881 1.00 0.00 C ATOM 794 CG2 ILE A 51 -8.238 -9.214 -6.030 1.00 0.00 C ATOM 795 CD1 ILE A 51 -5.346 -8.449 -6.732 1.00 0.00 C ATOM 0 H ILE A 51 -8.184 -5.965 -4.979 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.643 -8.480 -3.475 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.606 -9.343 -4.617 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -6.916 -6.978 -6.518 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.757 -6.977 -5.203 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.712 -9.763 -6.811 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -8.874 -9.900 -5.470 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -8.854 -8.437 -6.484 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -4.701 -7.780 -7.301 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.735 -9.077 -6.084 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.912 -9.078 -7.419 1.00 0.00 H new ATOM 807 N GLU A 52 -6.697 -8.038 -1.933 1.00 0.00 N ATOM 808 CA GLU A 52 -5.756 -7.622 -0.892 1.00 0.00 C ATOM 809 C GLU A 52 -4.846 -8.778 -0.514 1.00 0.00 C ATOM 810 O GLU A 52 -5.313 -9.879 -0.222 1.00 0.00 O ATOM 811 CB GLU A 52 -6.529 -7.136 0.341 1.00 0.00 C ATOM 812 CG GLU A 52 -5.627 -6.272 1.228 1.00 0.00 C ATOM 813 CD GLU A 52 -4.504 -7.119 1.818 1.00 0.00 C ATOM 814 OE1 GLU A 52 -4.739 -8.290 2.065 1.00 0.00 O ATOM 815 OE2 GLU A 52 -3.426 -6.583 2.013 1.00 0.00 O ATOM 0 H GLU A 52 -7.113 -8.958 -1.787 1.00 0.00 H new ATOM 0 HA GLU A 52 -5.143 -6.806 -1.274 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -7.401 -6.562 0.029 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.897 -7.991 0.908 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.207 -5.453 0.644 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -6.214 -5.824 2.029 1.00 0.00 H new ATOM 822 N THR A 53 -3.541 -8.517 -0.520 1.00 0.00 N ATOM 823 CA THR A 53 -2.557 -9.540 -0.175 1.00 0.00 C ATOM 824 C THR A 53 -1.582 -8.982 0.851 1.00 0.00 C ATOM 825 O THR A 53 -1.232 -7.801 0.810 1.00 0.00 O ATOM 826 CB THR A 53 -1.792 -9.978 -1.432 1.00 0.00 C ATOM 827 OG1 THR A 53 -0.642 -9.159 -1.593 1.00 0.00 O ATOM 828 CG2 THR A 53 -2.690 -9.830 -2.662 1.00 0.00 C ATOM 0 H THR A 53 -3.141 -7.609 -0.759 1.00 0.00 H new ATOM 0 HA THR A 53 -3.071 -10.404 0.246 1.00 0.00 H new ATOM 0 HB THR A 53 -1.492 -11.020 -1.325 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.151 -9.438 -2.394 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.143 -10.142 -3.552 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.576 -10.454 -2.543 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.992 -8.788 -2.769 1.00 0.00 H new ATOM 836 N ARG A 54 -1.147 -9.837 1.766 1.00 0.00 N ATOM 837 CA ARG A 54 -0.224 -9.416 2.807 1.00 0.00 C ATOM 838 C ARG A 54 0.941 -8.656 2.191 1.00 0.00 C ATOM 839 O ARG A 54 1.484 -7.730 2.793 1.00 0.00 O ATOM 840 CB ARG A 54 0.301 -10.645 3.551 1.00 0.00 C ATOM 841 CG ARG A 54 -0.883 -11.445 4.097 1.00 0.00 C ATOM 842 CD ARG A 54 -0.367 -12.657 4.879 1.00 0.00 C ATOM 843 NE ARG A 54 0.293 -13.597 3.980 1.00 0.00 N ATOM 844 CZ ARG A 54 0.842 -14.718 4.438 1.00 0.00 C ATOM 845 NH1 ARG A 54 0.787 -14.999 5.712 1.00 0.00 N ATOM 846 NH2 ARG A 54 1.436 -15.540 3.616 1.00 0.00 N ATOM 0 H ARG A 54 -1.417 -10.820 1.808 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.746 -8.762 3.506 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.896 -11.265 2.880 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.956 -10.339 4.367 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.493 -10.815 4.744 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.522 -11.773 3.277 1.00 0.00 H new ATOM 0 HD2 ARG A 54 0.331 -12.330 5.650 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.196 -13.150 5.387 1.00 0.00 H new ATOM 0 HE ARG A 54 0.334 -13.391 2.982 1.00 0.00 H new ATOM 0 HH11 ARG A 54 0.323 -14.358 6.356 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.208 -15.859 6.063 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.480 -15.323 2.620 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.857 -16.399 3.969 1.00 0.00 H new ATOM 860 N ARG A 55 1.318 -9.053 0.982 1.00 0.00 N ATOM 861 CA ARG A 55 2.419 -8.402 0.286 1.00 0.00 C ATOM 862 C ARG A 55 2.026 -6.991 -0.146 1.00 0.00 C ATOM 863 O ARG A 55 2.803 -6.046 0.004 1.00 0.00 O ATOM 864 CB ARG A 55 2.793 -9.220 -0.949 1.00 0.00 C ATOM 865 CG ARG A 55 3.326 -10.587 -0.515 1.00 0.00 C ATOM 866 CD ARG A 55 3.614 -11.443 -1.751 1.00 0.00 C ATOM 867 NE ARG A 55 4.848 -11.000 -2.395 1.00 0.00 N ATOM 868 CZ ARG A 55 6.032 -11.475 -2.018 1.00 0.00 C ATOM 869 NH1 ARG A 55 6.109 -12.344 -1.046 1.00 0.00 N ATOM 870 NH2 ARG A 55 7.118 -11.073 -2.618 1.00 0.00 N ATOM 0 H ARG A 55 0.881 -9.817 0.467 1.00 0.00 H new ATOM 0 HA ARG A 55 3.270 -8.337 0.965 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.922 -9.345 -1.592 1.00 0.00 H new ATOM 0 HB3 ARG A 55 3.547 -8.692 -1.533 1.00 0.00 H new ATOM 0 HG2 ARG A 55 4.235 -10.464 0.074 1.00 0.00 H new ATOM 0 HG3 ARG A 55 2.597 -11.086 0.124 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.701 -12.491 -1.464 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.783 -11.372 -2.453 1.00 0.00 H new ATOM 0 HE ARG A 55 4.801 -10.314 -3.148 1.00 0.00 H new ATOM 0 HH11 ARG A 55 5.261 -12.659 -0.575 1.00 0.00 H new ATOM 0 HH12 ARG A 55 7.017 -12.708 -0.758 1.00 0.00 H new ATOM 0 HH21 ARG A 55 7.060 -10.394 -3.377 1.00 0.00 H new ATOM 0 HH22 ARG A 55 8.025 -11.438 -2.328 1.00 0.00 H new ATOM 884 N VAL A 56 0.816 -6.854 -0.686 1.00 0.00 N ATOM 885 CA VAL A 56 0.332 -5.555 -1.140 1.00 0.00 C ATOM 886 C VAL A 56 -1.150 -5.630 -1.483 1.00 0.00 C ATOM 887 O VAL A 56 -1.768 -6.689 -1.371 1.00 0.00 O ATOM 888 CB VAL A 56 1.130 -5.101 -2.369 1.00 0.00 C ATOM 889 CG1 VAL A 56 0.812 -6.010 -3.560 1.00 0.00 C ATOM 890 CG2 VAL A 56 0.795 -3.636 -2.731 1.00 0.00 C ATOM 0 H VAL A 56 0.158 -7.622 -0.818 1.00 0.00 H new ATOM 0 HA VAL A 56 0.468 -4.831 -0.336 1.00 0.00 H new ATOM 0 HB VAL A 56 2.192 -5.167 -2.132 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.382 -5.683 -4.430 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.081 -7.038 -3.316 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.254 -5.958 -3.783 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.373 -3.336 -3.605 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.269 -3.550 -2.952 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.045 -2.987 -1.891 1.00 0.00 H new ATOM 900 N SER A 57 -1.715 -4.501 -1.915 1.00 0.00 N ATOM 901 CA SER A 57 -3.128 -4.441 -2.288 1.00 0.00 C ATOM 902 C SER A 57 -3.282 -3.826 -3.674 1.00 0.00 C ATOM 903 O SER A 57 -2.461 -3.012 -4.092 1.00 0.00 O ATOM 904 CB SER A 57 -3.899 -3.593 -1.278 1.00 0.00 C ATOM 905 OG SER A 57 -5.291 -3.704 -1.538 1.00 0.00 O ATOM 0 H SER A 57 -1.216 -3.617 -2.015 1.00 0.00 H new ATOM 0 HA SER A 57 -3.526 -5.456 -2.296 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.679 -3.926 -0.264 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.586 -2.551 -1.347 1.00 0.00 H new ATOM 0 HG SER A 57 -5.464 -4.524 -2.046 1.00 0.00 H new ATOM 911 N LEU A 58 -4.335 -4.222 -4.385 1.00 0.00 N ATOM 912 CA LEU A 58 -4.570 -3.695 -5.728 1.00 0.00 C ATOM 913 C LEU A 58 -6.012 -3.967 -6.152 1.00 0.00 C ATOM 914 O LEU A 58 -6.660 -4.874 -5.631 1.00 0.00 O ATOM 915 CB LEU A 58 -3.585 -4.347 -6.712 1.00 0.00 C ATOM 916 CG LEU A 58 -3.746 -3.766 -8.127 1.00 0.00 C ATOM 917 CD1 LEU A 58 -3.476 -2.251 -8.134 1.00 0.00 C ATOM 918 CD2 LEU A 58 -2.751 -4.460 -9.063 1.00 0.00 C ATOM 0 H LEU A 58 -5.029 -4.895 -4.061 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.410 -2.617 -5.729 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.563 -4.190 -6.366 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.751 -5.424 -6.737 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.769 -3.935 -8.462 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.596 -1.865 -9.146 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.181 -1.753 -7.469 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.459 -2.061 -7.792 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.856 -4.056 -10.070 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.735 -4.287 -8.707 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.953 -5.531 -9.079 1.00 0.00 H new ATOM 930 N VAL A 59 -6.515 -3.176 -7.100 1.00 0.00 N ATOM 931 CA VAL A 59 -7.883 -3.345 -7.595 1.00 0.00 C ATOM 932 C VAL A 59 -7.883 -3.365 -9.120 1.00 0.00 C ATOM 933 O VAL A 59 -7.286 -2.500 -9.759 1.00 0.00 O ATOM 934 CB VAL A 59 -8.771 -2.202 -7.093 1.00 0.00 C ATOM 935 CG1 VAL A 59 -8.124 -0.857 -7.421 1.00 0.00 C ATOM 936 CG2 VAL A 59 -10.145 -2.280 -7.768 1.00 0.00 C ATOM 0 H VAL A 59 -5.999 -2.414 -7.540 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.278 -4.290 -7.223 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.888 -2.293 -6.013 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -8.761 -0.049 -7.061 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.150 -0.794 -6.936 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.999 -0.767 -8.500 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -10.774 -1.465 -7.408 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.025 -2.196 -8.848 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -10.615 -3.234 -7.528 1.00 0.00 H new ATOM 946 N LEU A 60 -8.570 -4.353 -9.693 1.00 0.00 N ATOM 947 CA LEU A 60 -8.666 -4.491 -11.151 1.00 0.00 C ATOM 948 C LEU A 60 -10.127 -4.575 -11.589 1.00 0.00 C ATOM 949 O LEU A 60 -10.978 -5.068 -10.852 1.00 0.00 O ATOM 950 CB LEU A 60 -7.913 -5.756 -11.612 1.00 0.00 C ATOM 951 CG LEU A 60 -6.435 -5.445 -11.904 1.00 0.00 C ATOM 952 CD1 LEU A 60 -5.709 -5.004 -10.620 1.00 0.00 C ATOM 953 CD2 LEU A 60 -5.763 -6.700 -12.488 1.00 0.00 C ATOM 0 H LEU A 60 -9.070 -5.072 -9.171 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.213 -3.612 -11.610 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.981 -6.524 -10.842 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.387 -6.159 -12.507 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.376 -4.628 -12.623 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.665 -4.789 -10.848 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.186 -4.108 -10.222 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.762 -5.802 -9.880 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.715 -6.487 -12.698 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.831 -7.517 -11.769 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.267 -6.986 -13.411 1.00 0.00 H new ATOM 965 N ARG A 61 -10.395 -4.105 -12.804 1.00 0.00 N ATOM 966 CA ARG A 61 -11.743 -4.144 -13.354 1.00 0.00 C ATOM 967 C ARG A 61 -12.062 -5.541 -13.872 1.00 0.00 C ATOM 968 O ARG A 61 -11.197 -6.217 -14.419 1.00 0.00 O ATOM 969 CB ARG A 61 -11.869 -3.139 -14.489 1.00 0.00 C ATOM 970 CG ARG A 61 -11.858 -1.732 -13.900 1.00 0.00 C ATOM 971 CD ARG A 61 -11.992 -0.711 -15.013 1.00 0.00 C ATOM 972 NE ARG A 61 -10.777 -0.672 -15.815 1.00 0.00 N ATOM 973 CZ ARG A 61 -10.703 0.082 -16.906 1.00 0.00 C ATOM 974 NH1 ARG A 61 -11.729 0.796 -17.275 1.00 0.00 N ATOM 975 NH2 ARG A 61 -9.603 0.104 -17.608 1.00 0.00 N ATOM 0 H ARG A 61 -9.697 -3.694 -13.424 1.00 0.00 H new ATOM 0 HA ARG A 61 -12.449 -3.888 -12.564 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.046 -3.260 -15.194 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -12.792 -3.309 -15.044 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -12.676 -1.619 -13.189 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -10.932 -1.565 -13.350 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.844 -0.962 -15.645 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -12.188 0.274 -14.590 1.00 0.00 H new ATOM 0 HE ARG A 61 -9.971 -1.232 -15.535 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -12.588 0.776 -16.726 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.673 1.375 -18.113 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.802 -0.457 -17.319 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.544 0.682 -18.446 1.00 0.00 H new ATOM 989 N LYS A 62 -13.307 -5.968 -13.708 1.00 0.00 N ATOM 990 CA LYS A 62 -13.718 -7.297 -14.164 1.00 0.00 C ATOM 991 C LYS A 62 -13.096 -7.631 -15.522 1.00 0.00 C ATOM 992 O LYS A 62 -12.641 -8.759 -15.758 1.00 0.00 O ATOM 993 CB LYS A 62 -15.248 -7.339 -14.268 1.00 0.00 C ATOM 994 CG LYS A 62 -15.736 -8.789 -14.272 1.00 0.00 C ATOM 995 CD LYS A 62 -17.267 -8.825 -14.197 1.00 0.00 C ATOM 996 CE LYS A 62 -17.874 -8.260 -15.487 1.00 0.00 C ATOM 997 NZ LYS A 62 -19.296 -8.692 -15.594 1.00 0.00 N ATOM 0 H LYS A 62 -14.047 -5.422 -13.267 1.00 0.00 H new ATOM 0 HA LYS A 62 -13.371 -8.038 -13.444 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -15.692 -6.800 -13.431 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -15.572 -6.836 -15.179 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -15.396 -9.294 -15.176 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -15.309 -9.328 -13.426 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -17.607 -9.849 -14.045 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -17.610 -8.245 -13.340 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -17.812 -7.172 -15.485 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -17.310 -8.610 -16.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -19.710 -8.310 -16.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -19.343 -9.731 -15.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -19.829 -8.337 -14.775 1.00 0.00 H new ATOM 1011 N LYS A 63 -13.066 -6.643 -16.402 1.00 0.00 N ATOM 1012 CA LYS A 63 -12.489 -6.833 -17.726 1.00 0.00 C ATOM 1013 C LYS A 63 -11.013 -7.202 -17.614 1.00 0.00 C ATOM 1014 O LYS A 63 -10.528 -8.090 -18.316 1.00 0.00 O ATOM 1015 CB LYS A 63 -12.630 -5.551 -18.549 1.00 0.00 C ATOM 1016 CG LYS A 63 -14.110 -5.299 -18.847 1.00 0.00 C ATOM 1017 CD LYS A 63 -14.264 -4.086 -19.775 1.00 0.00 C ATOM 1018 CE LYS A 63 -13.932 -2.789 -19.026 1.00 0.00 C ATOM 1019 NZ LYS A 63 -14.435 -1.629 -19.812 1.00 0.00 N ATOM 0 H LYS A 63 -13.431 -5.707 -16.227 1.00 0.00 H new ATOM 0 HA LYS A 63 -13.024 -7.643 -18.222 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -12.209 -4.707 -18.003 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -12.070 -5.640 -19.480 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -14.550 -6.181 -19.313 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -14.652 -5.126 -17.917 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -13.605 -4.194 -20.636 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -15.284 -4.041 -20.158 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -14.389 -2.799 -18.036 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -12.855 -2.705 -18.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -14.213 -0.746 -19.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -13.979 -1.619 -20.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -15.465 -1.710 -19.930 1.00 0.00 H new ATOM 1033 N ASP A 64 -10.303 -6.525 -16.720 1.00 0.00 N ATOM 1034 CA ASP A 64 -8.887 -6.801 -16.531 1.00 0.00 C ATOM 1035 C ASP A 64 -8.687 -8.243 -16.072 1.00 0.00 C ATOM 1036 O ASP A 64 -7.742 -8.904 -16.498 1.00 0.00 O ATOM 1037 CB ASP A 64 -8.294 -5.842 -15.498 1.00 0.00 C ATOM 1038 CG ASP A 64 -8.150 -4.443 -16.085 1.00 0.00 C ATOM 1039 OD1 ASP A 64 -8.236 -4.314 -17.294 1.00 0.00 O ATOM 1040 OD2 ASP A 64 -7.959 -3.518 -15.312 1.00 0.00 O ATOM 0 H ASP A 64 -10.680 -5.790 -16.122 1.00 0.00 H new ATOM 0 HA ASP A 64 -8.376 -6.657 -17.483 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -8.934 -5.808 -14.616 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -7.320 -6.207 -15.172 1.00 0.00 H new ATOM 1045 N LEU A 65 -9.582 -8.731 -15.209 1.00 0.00 N ATOM 1046 CA LEU A 65 -9.470 -10.106 -14.724 1.00 0.00 C ATOM 1047 C LEU A 65 -9.606 -11.073 -15.893 1.00 0.00 C ATOM 1048 O LEU A 65 -8.861 -12.049 -15.990 1.00 0.00 O ATOM 1049 CB LEU A 65 -10.556 -10.412 -13.677 1.00 0.00 C ATOM 1050 CG LEU A 65 -10.147 -9.862 -12.300 1.00 0.00 C ATOM 1051 CD1 LEU A 65 -8.944 -10.618 -11.713 1.00 0.00 C ATOM 1052 CD2 LEU A 65 -9.805 -8.389 -12.434 1.00 0.00 C ATOM 0 H LEU A 65 -10.375 -8.207 -14.839 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.494 -10.225 -14.255 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -11.503 -9.968 -13.986 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.714 -11.488 -13.613 1.00 0.00 H new ATOM 0 HG LEU A 65 -10.987 -9.999 -11.619 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.689 -10.197 -10.740 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -9.198 -11.672 -11.597 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.091 -10.522 -12.385 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.514 -7.993 -11.461 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.980 -8.269 -13.136 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -10.675 -7.845 -12.802 1.00 0.00 H new ATOM 1064 N ALA A 66 -10.557 -10.800 -16.782 1.00 0.00 N ATOM 1065 CA ALA A 66 -10.759 -11.673 -17.937 1.00 0.00 C ATOM 1066 C ALA A 66 -9.482 -11.745 -18.772 1.00 0.00 C ATOM 1067 O ALA A 66 -8.996 -12.831 -19.085 1.00 0.00 O ATOM 1068 CB ALA A 66 -11.906 -11.151 -18.805 1.00 0.00 C ATOM 0 H ALA A 66 -11.188 -10.000 -16.729 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.010 -12.670 -17.575 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -12.044 -11.812 -19.661 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.823 -11.122 -18.217 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -11.669 -10.147 -19.156 1.00 0.00 H new ATOM 1074 N LEU A 67 -8.938 -10.580 -19.116 1.00 0.00 N ATOM 1075 CA LEU A 67 -7.707 -10.522 -19.906 1.00 0.00 C ATOM 1076 C LEU A 67 -6.509 -11.026 -19.100 1.00 0.00 C ATOM 1077 O LEU A 67 -5.640 -11.718 -19.632 1.00 0.00 O ATOM 1078 CB LEU A 67 -7.453 -9.082 -20.383 1.00 0.00 C ATOM 1079 CG LEU A 67 -8.267 -8.793 -21.659 1.00 0.00 C ATOM 1080 CD1 LEU A 67 -7.704 -9.591 -22.858 1.00 0.00 C ATOM 1081 CD2 LEU A 67 -9.737 -9.174 -21.430 1.00 0.00 C ATOM 0 H LEU A 67 -9.324 -9.670 -18.864 1.00 0.00 H new ATOM 0 HA LEU A 67 -7.830 -11.172 -20.773 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.730 -8.377 -19.599 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.391 -8.938 -20.580 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.195 -7.729 -21.885 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -8.293 -9.373 -23.749 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -6.666 -9.306 -23.030 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -7.756 -10.658 -22.641 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -10.311 -8.969 -22.334 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -9.805 -10.235 -21.190 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -10.140 -8.589 -20.603 1.00 0.00 H new ATOM 1093 N LEU A 68 -6.465 -10.670 -17.821 1.00 0.00 N ATOM 1094 CA LEU A 68 -5.361 -11.086 -16.961 1.00 0.00 C ATOM 1095 C LEU A 68 -5.336 -12.601 -16.862 1.00 0.00 C ATOM 1096 O LEU A 68 -6.374 -13.230 -16.663 1.00 0.00 O ATOM 1097 CB LEU A 68 -5.533 -10.478 -15.564 1.00 0.00 C ATOM 1098 CG LEU A 68 -4.338 -10.837 -14.669 1.00 0.00 C ATOM 1099 CD1 LEU A 68 -3.046 -10.229 -15.236 1.00 0.00 C ATOM 1100 CD2 LEU A 68 -4.595 -10.296 -13.259 1.00 0.00 C ATOM 0 H LEU A 68 -7.173 -10.100 -17.359 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.421 -10.737 -17.388 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.624 -9.395 -15.641 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.455 -10.844 -15.113 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.222 -11.920 -14.634 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.207 -10.491 -14.592 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.870 -10.619 -16.238 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.144 -9.144 -15.281 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.752 -10.545 -12.614 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.712 -9.213 -13.301 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.504 -10.744 -12.857 1.00 0.00 H new ATOM 1112 N GLU A 69 -4.152 -13.191 -17.004 1.00 0.00 N ATOM 1113 CA GLU A 69 -4.040 -14.645 -16.929 1.00 0.00 C ATOM 1114 C GLU A 69 -3.956 -15.089 -15.473 1.00 0.00 C ATOM 1115 O GLU A 69 -2.990 -14.777 -14.772 1.00 0.00 O ATOM 1116 CB GLU A 69 -2.799 -15.117 -17.687 1.00 0.00 C ATOM 1117 CG GLU A 69 -2.943 -14.779 -19.173 1.00 0.00 C ATOM 1118 CD GLU A 69 -1.669 -15.166 -19.916 1.00 0.00 C ATOM 1119 OE1 GLU A 69 -0.773 -15.692 -19.276 1.00 0.00 O ATOM 1120 OE2 GLU A 69 -1.607 -14.929 -21.110 1.00 0.00 O ATOM 0 H GLU A 69 -3.274 -12.698 -17.168 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.925 -15.088 -17.386 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.908 -14.638 -17.280 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.670 -16.192 -17.559 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.797 -15.309 -19.595 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.137 -13.714 -19.296 1.00 0.00 H new ATOM 1127 N VAL A 70 -4.978 -15.817 -15.018 1.00 0.00 N ATOM 1128 CA VAL A 70 -5.022 -16.299 -13.634 1.00 0.00 C ATOM 1129 C VAL A 70 -5.378 -17.776 -13.582 1.00 0.00 C ATOM 1130 O VAL A 70 -5.915 -18.329 -14.542 1.00 0.00 O ATOM 1131 CB VAL A 70 -6.066 -15.516 -12.832 1.00 0.00 C ATOM 1132 CG1 VAL A 70 -5.629 -14.060 -12.671 1.00 0.00 C ATOM 1133 CG2 VAL A 70 -7.405 -15.561 -13.574 1.00 0.00 C ATOM 0 H VAL A 70 -5.783 -16.085 -15.584 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.032 -16.152 -13.202 1.00 0.00 H new ATOM 0 HB VAL A 70 -6.168 -15.966 -11.845 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -6.381 -13.516 -12.099 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -4.675 -14.022 -12.145 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -5.519 -13.602 -13.654 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -8.153 -15.005 -13.009 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -7.289 -15.113 -14.561 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.727 -16.597 -13.681 1.00 0.00 H new ATOM 1143 N GLU A 71 -5.088 -18.414 -12.444 1.00 0.00 N ATOM 1144 CA GLU A 71 -5.401 -19.839 -12.277 1.00 0.00 C ATOM 1145 C GLU A 71 -5.780 -20.137 -10.829 1.00 0.00 C ATOM 1146 O GLU A 71 -5.220 -19.556 -9.902 1.00 0.00 O ATOM 1147 CB GLU A 71 -4.189 -20.702 -12.669 1.00 0.00 C ATOM 1148 CG GLU A 71 -4.648 -22.118 -13.028 1.00 0.00 C ATOM 1149 CD GLU A 71 -3.447 -22.964 -13.437 1.00 0.00 C ATOM 1150 OE1 GLU A 71 -2.718 -23.387 -12.554 1.00 0.00 O ATOM 1151 OE2 GLU A 71 -3.270 -23.171 -14.626 1.00 0.00 O ATOM 0 H GLU A 71 -4.644 -17.977 -11.636 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.243 -20.079 -12.926 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -3.671 -20.253 -13.517 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -3.477 -20.740 -11.844 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.152 -22.574 -12.175 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -5.371 -22.080 -13.842 1.00 0.00 H new ATOM 1158 N ALA A 72 -6.715 -21.060 -10.644 1.00 0.00 N ATOM 1159 CA ALA A 72 -7.138 -21.438 -9.303 1.00 0.00 C ATOM 1160 C ALA A 72 -5.998 -22.154 -8.592 1.00 0.00 C ATOM 1161 O ALA A 72 -5.200 -22.845 -9.226 1.00 0.00 O ATOM 1162 CB ALA A 72 -8.357 -22.358 -9.378 1.00 0.00 C ATOM 0 H ALA A 72 -7.191 -21.556 -11.398 1.00 0.00 H new ATOM 0 HA ALA A 72 -7.406 -20.540 -8.747 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.666 -22.635 -8.370 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -9.174 -21.839 -9.878 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -8.101 -23.257 -9.939 1.00 0.00 H new ATOM 1168 N VAL A 73 -5.916 -21.982 -7.274 1.00 0.00 N ATOM 1169 CA VAL A 73 -4.854 -22.614 -6.489 1.00 0.00 C ATOM 1170 C VAL A 73 -5.411 -23.812 -5.726 1.00 0.00 C ATOM 1171 O VAL A 73 -6.442 -23.711 -5.061 1.00 0.00 O ATOM 1172 CB VAL A 73 -4.278 -21.602 -5.496 1.00 0.00 C ATOM 1173 CG1 VAL A 73 -3.279 -22.298 -4.565 1.00 0.00 C ATOM 1174 CG2 VAL A 73 -3.573 -20.484 -6.265 1.00 0.00 C ATOM 0 H VAL A 73 -6.566 -21.415 -6.729 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.068 -22.953 -7.164 1.00 0.00 H new ATOM 0 HB VAL A 73 -5.086 -21.180 -4.899 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -2.872 -21.573 -3.860 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.785 -23.092 -4.017 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.468 -22.725 -5.155 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.161 -19.761 -5.560 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.766 -20.907 -6.864 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.288 -19.986 -6.920 1.00 0.00 H new