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 -80:sc= 0.686 USER MOD Set 1.2: A 7 THR OG1 : rot 100:sc= 1.05 USER MOD Single : A 3 TYR OH : rot 81:sc= -0.984 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 100:sc= 0.747 USER MOD Single : A 19 SER OG : rot 180:sc= -0.185 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.0424 X(o=-0.042,f=-0.25) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 69:sc= 1.06 USER MOD Single : A 31 MET CE :methyl -150:sc=-0.00517 (180deg=-1.11) USER MOD Single : A 35 SER OG : rot 180:sc= -0.118 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -2.69! C(o=-2.7!,f=-8.1!) USER MOD Single : A 50 HIS : no HE2:sc= -1.52 K(o=-1.5,f=-2.1!) USER MOD Single : A 53 THR OG1 : rot -83:sc= 1.65 USER MOD Single : A 57 SER OG : rot 180:sc= 0 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 -15.545 -14.105 -10.037 1.00 0.00 N ATOM 38 CA TYR A 3 -14.965 -13.606 -8.797 1.00 0.00 C ATOM 39 C TYR A 3 -15.934 -13.851 -7.653 1.00 0.00 C ATOM 40 O TYR A 3 -17.146 -13.871 -7.860 1.00 0.00 O ATOM 41 CB TYR A 3 -14.678 -12.101 -8.918 1.00 0.00 C ATOM 42 CG TYR A 3 -14.360 -11.761 -10.353 1.00 0.00 C ATOM 43 CD1 TYR A 3 -13.487 -12.567 -11.088 1.00 0.00 C ATOM 44 CD2 TYR A 3 -14.940 -10.637 -10.948 1.00 0.00 C ATOM 45 CE1 TYR A 3 -13.191 -12.247 -12.420 1.00 0.00 C ATOM 46 CE2 TYR A 3 -14.645 -10.317 -12.275 1.00 0.00 C ATOM 47 CZ TYR A 3 -13.769 -11.122 -13.013 1.00 0.00 C ATOM 48 OH TYR A 3 -13.474 -10.808 -14.324 1.00 0.00 O ATOM 0 HA TYR A 3 -14.029 -14.130 -8.602 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -15.541 -11.527 -8.580 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -13.842 -11.827 -8.275 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -13.040 -13.437 -10.630 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -15.617 -10.015 -10.381 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -12.516 -12.870 -12.988 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -15.093 -9.447 -12.733 1.00 0.00 H new ATOM 0 HH TYR A 3 -14.020 -11.359 -14.923 1.00 0.00 H new ATOM 58 N THR A 4 -15.407 -14.037 -6.447 1.00 0.00 N ATOM 59 CA THR A 4 -16.261 -14.278 -5.284 1.00 0.00 C ATOM 60 C THR A 4 -15.733 -13.500 -4.079 1.00 0.00 C ATOM 61 O THR A 4 -14.596 -13.027 -4.097 1.00 0.00 O ATOM 62 CB THR A 4 -16.314 -15.784 -4.965 1.00 0.00 C ATOM 63 OG1 THR A 4 -15.431 -16.075 -3.892 1.00 0.00 O ATOM 64 CG2 THR A 4 -15.895 -16.589 -6.202 1.00 0.00 C ATOM 0 H THR A 4 -14.407 -14.026 -6.248 1.00 0.00 H new ATOM 0 HA THR A 4 -17.271 -13.935 -5.510 1.00 0.00 H new ATOM 0 HB THR A 4 -17.331 -16.055 -4.683 1.00 0.00 H new ATOM 0 HG1 THR A 4 -14.513 -16.133 -4.230 1.00 0.00 H new ATOM 0 HG21 THR A 4 -15.933 -17.654 -5.973 1.00 0.00 H new ATOM 0 HG22 THR A 4 -16.574 -16.370 -7.026 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.879 -16.316 -6.487 1.00 0.00 H new ATOM 72 N PRO A 5 -16.523 -13.343 -3.044 1.00 0.00 N ATOM 73 CA PRO A 5 -16.093 -12.586 -1.832 1.00 0.00 C ATOM 74 C PRO A 5 -14.797 -13.132 -1.223 1.00 0.00 C ATOM 75 O PRO A 5 -13.977 -12.368 -0.716 1.00 0.00 O ATOM 76 CB PRO A 5 -17.270 -12.738 -0.853 1.00 0.00 C ATOM 77 CG PRO A 5 -18.449 -13.096 -1.698 1.00 0.00 C ATOM 78 CD PRO A 5 -17.898 -13.862 -2.903 1.00 0.00 C ATOM 0 HA PRO A 5 -15.869 -11.546 -2.071 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -17.068 -13.513 -0.113 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -17.447 -11.812 -0.305 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -19.157 -13.708 -1.139 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -18.984 -12.202 -2.017 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -17.905 -14.938 -2.731 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -18.490 -13.679 -3.800 1.00 0.00 H new ATOM 86 N ASP A 6 -14.622 -14.455 -1.266 1.00 0.00 N ATOM 87 CA ASP A 6 -13.424 -15.085 -0.707 1.00 0.00 C ATOM 88 C ASP A 6 -12.898 -16.159 -1.647 1.00 0.00 C ATOM 89 O ASP A 6 -13.343 -17.307 -1.605 1.00 0.00 O ATOM 90 CB ASP A 6 -13.752 -15.716 0.649 1.00 0.00 C ATOM 91 CG ASP A 6 -14.867 -16.745 0.487 1.00 0.00 C ATOM 92 OD1 ASP A 6 -15.420 -16.824 -0.597 1.00 0.00 O ATOM 93 OD2 ASP A 6 -15.152 -17.437 1.451 1.00 0.00 O ATOM 0 H ASP A 6 -15.289 -15.107 -1.679 1.00 0.00 H new ATOM 0 HA ASP A 6 -12.659 -14.319 -0.580 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -12.863 -16.192 1.063 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -14.058 -14.944 1.355 1.00 0.00 H new ATOM 98 N THR A 7 -11.946 -15.788 -2.500 1.00 0.00 N ATOM 99 CA THR A 7 -11.370 -16.736 -3.455 1.00 0.00 C ATOM 100 C THR A 7 -9.850 -16.579 -3.500 1.00 0.00 C ATOM 101 O THR A 7 -9.337 -15.470 -3.653 1.00 0.00 O ATOM 102 CB THR A 7 -11.971 -16.478 -4.850 1.00 0.00 C ATOM 103 OG1 THR A 7 -13.236 -15.855 -4.697 1.00 0.00 O ATOM 104 CG2 THR A 7 -12.168 -17.798 -5.604 1.00 0.00 C ATOM 0 H THR A 7 -11.559 -14.846 -2.551 1.00 0.00 H new ATOM 0 HA THR A 7 -11.604 -17.754 -3.142 1.00 0.00 H new ATOM 0 HB THR A 7 -11.290 -15.841 -5.414 1.00 0.00 H new ATOM 0 HG1 THR A 7 -13.145 -14.890 -4.841 1.00 0.00 H new ATOM 0 HG21 THR A 7 -12.593 -17.596 -6.587 1.00 0.00 H new ATOM 0 HG22 THR A 7 -11.206 -18.297 -5.721 1.00 0.00 H new ATOM 0 HG23 THR A 7 -12.845 -18.441 -5.041 1.00 0.00 H new ATOM 112 N ALA A 8 -9.135 -17.694 -3.387 1.00 0.00 N ATOM 113 CA ALA A 8 -7.675 -17.669 -3.437 1.00 0.00 C ATOM 114 C ALA A 8 -7.226 -17.858 -4.877 1.00 0.00 C ATOM 115 O ALA A 8 -7.260 -18.969 -5.407 1.00 0.00 O ATOM 116 CB ALA A 8 -7.097 -18.785 -2.565 1.00 0.00 C ATOM 0 H ALA A 8 -9.539 -18.622 -3.261 1.00 0.00 H new ATOM 0 HA ALA A 8 -7.316 -16.711 -3.060 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -6.008 -18.756 -2.611 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -7.421 -18.645 -1.534 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -7.450 -19.750 -2.928 1.00 0.00 H new ATOM 122 N TRP A 9 -6.828 -16.763 -5.521 1.00 0.00 N ATOM 123 CA TRP A 9 -6.401 -16.807 -6.922 1.00 0.00 C ATOM 124 C TRP A 9 -4.886 -16.670 -7.022 1.00 0.00 C ATOM 125 O TRP A 9 -4.271 -15.899 -6.286 1.00 0.00 O ATOM 126 CB TRP A 9 -7.072 -15.661 -7.703 1.00 0.00 C ATOM 127 CG TRP A 9 -8.443 -16.070 -8.159 1.00 0.00 C ATOM 128 CD1 TRP A 9 -9.218 -16.996 -7.554 1.00 0.00 C ATOM 129 CD2 TRP A 9 -9.208 -15.584 -9.300 1.00 0.00 C ATOM 130 NE1 TRP A 9 -10.404 -17.115 -8.247 1.00 0.00 N ATOM 131 CE2 TRP A 9 -10.449 -16.264 -9.330 1.00 0.00 C ATOM 132 CE3 TRP A 9 -8.952 -14.628 -10.300 1.00 0.00 C ATOM 133 CZ2 TRP A 9 -11.398 -16.011 -10.313 1.00 0.00 C ATOM 134 CZ3 TRP A 9 -9.907 -14.368 -11.296 1.00 0.00 C ATOM 135 CH2 TRP A 9 -11.131 -15.060 -11.301 1.00 0.00 C ATOM 0 H TRP A 9 -6.791 -15.835 -5.098 1.00 0.00 H new ATOM 0 HA TRP A 9 -6.697 -17.766 -7.348 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -7.141 -14.775 -7.073 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -6.460 -15.393 -8.564 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -8.951 -17.554 -6.669 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -11.156 -17.754 -7.990 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -8.015 -14.091 -10.302 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -12.336 -16.546 -10.313 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -9.701 -13.634 -12.061 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -11.864 -14.857 -12.068 1.00 0.00 H new ATOM 146 N LYS A 10 -4.292 -17.421 -7.945 1.00 0.00 N ATOM 147 CA LYS A 10 -2.846 -17.373 -8.148 1.00 0.00 C ATOM 148 C LYS A 10 -2.513 -16.389 -9.260 1.00 0.00 C ATOM 149 O LYS A 10 -3.292 -16.222 -10.197 1.00 0.00 O ATOM 150 CB LYS A 10 -2.310 -18.766 -8.511 1.00 0.00 C ATOM 151 CG LYS A 10 -0.838 -18.885 -8.100 1.00 0.00 C ATOM 152 CD LYS A 10 -0.360 -20.318 -8.315 1.00 0.00 C ATOM 153 CE LYS A 10 1.094 -20.433 -7.860 1.00 0.00 C ATOM 154 NZ LYS A 10 1.547 -21.846 -7.993 1.00 0.00 N ATOM 0 H LYS A 10 -4.785 -18.067 -8.561 1.00 0.00 H new ATOM 0 HA LYS A 10 -2.374 -17.045 -7.222 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.899 -19.534 -8.009 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.412 -18.936 -9.583 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.230 -18.196 -8.686 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.718 -18.604 -7.054 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.986 -21.012 -7.753 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.448 -20.590 -9.367 1.00 0.00 H new ATOM 0 HE2 LYS A 10 1.727 -19.779 -8.460 1.00 0.00 H new ATOM 0 HE3 LYS A 10 1.189 -20.106 -6.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 2.537 -21.924 -7.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 0.950 -22.459 -7.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 1.471 -22.143 -8.987 1.00 0.00 H new ATOM 168 N ILE A 11 -1.356 -15.739 -9.149 1.00 0.00 N ATOM 169 CA ILE A 11 -0.930 -14.764 -10.153 1.00 0.00 C ATOM 170 C ILE A 11 0.108 -15.392 -11.080 1.00 0.00 C ATOM 171 O ILE A 11 1.201 -15.753 -10.646 1.00 0.00 O ATOM 172 CB ILE A 11 -0.314 -13.537 -9.462 1.00 0.00 C ATOM 173 CG1 ILE A 11 -1.177 -13.118 -8.269 1.00 0.00 C ATOM 174 CG2 ILE A 11 -0.249 -12.371 -10.454 1.00 0.00 C ATOM 175 CD1 ILE A 11 -0.436 -12.060 -7.445 1.00 0.00 C ATOM 0 H ILE A 11 -0.700 -15.868 -8.379 1.00 0.00 H new ATOM 0 HA ILE A 11 -1.799 -14.456 -10.735 1.00 0.00 H new ATOM 0 HB ILE A 11 0.688 -13.794 -9.117 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.130 -12.720 -8.618 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.402 -13.985 -7.648 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.188 -11.501 -9.964 1.00 0.00 H new ATOM 0 HG22 ILE A 11 0.366 -12.654 -11.308 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.255 -12.128 -10.796 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.052 -11.763 -6.596 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.505 -12.474 -7.083 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.233 -11.189 -8.069 1.00 0.00 H new ATOM 187 N THR A 12 -0.241 -15.521 -12.361 1.00 0.00 N ATOM 188 CA THR A 12 0.672 -16.108 -13.342 1.00 0.00 C ATOM 189 C THR A 12 1.403 -15.013 -14.110 1.00 0.00 C ATOM 190 O THR A 12 2.611 -15.098 -14.335 1.00 0.00 O ATOM 191 CB THR A 12 -0.114 -16.979 -14.322 1.00 0.00 C ATOM 192 OG1 THR A 12 -1.000 -17.822 -13.597 1.00 0.00 O ATOM 193 CG2 THR A 12 0.853 -17.835 -15.142 1.00 0.00 C ATOM 0 H THR A 12 -1.142 -15.230 -12.741 1.00 0.00 H new ATOM 0 HA THR A 12 1.404 -16.719 -12.815 1.00 0.00 H new ATOM 0 HB THR A 12 -0.687 -16.341 -14.995 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.506 -18.380 -14.223 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.289 -18.454 -15.839 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.530 -17.187 -15.698 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.430 -18.474 -14.473 1.00 0.00 H new ATOM 201 N GLY A 13 0.660 -13.986 -14.510 1.00 0.00 N ATOM 202 CA GLY A 13 1.243 -12.876 -15.254 1.00 0.00 C ATOM 203 C GLY A 13 0.173 -12.104 -16.015 1.00 0.00 C ATOM 204 O GLY A 13 -1.010 -12.444 -15.963 1.00 0.00 O ATOM 0 H GLY A 13 -0.341 -13.900 -14.333 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.760 -12.206 -14.567 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.989 -13.254 -15.953 1.00 0.00 H new ATOM 208 N PHE A 14 0.597 -11.061 -16.722 1.00 0.00 N ATOM 209 CA PHE A 14 -0.325 -10.234 -17.499 1.00 0.00 C ATOM 210 C PHE A 14 -0.357 -10.693 -18.958 1.00 0.00 C ATOM 211 O PHE A 14 0.640 -11.180 -19.490 1.00 0.00 O ATOM 212 CB PHE A 14 0.108 -8.764 -17.429 1.00 0.00 C ATOM 213 CG PHE A 14 1.611 -8.683 -17.337 1.00 0.00 C ATOM 214 CD1 PHE A 14 2.246 -8.865 -16.103 1.00 0.00 C ATOM 215 CD2 PHE A 14 2.369 -8.418 -18.481 1.00 0.00 C ATOM 216 CE1 PHE A 14 3.641 -8.783 -16.013 1.00 0.00 C ATOM 217 CE2 PHE A 14 3.764 -8.334 -18.393 1.00 0.00 C ATOM 218 CZ PHE A 14 4.400 -8.515 -17.158 1.00 0.00 C ATOM 0 H PHE A 14 1.572 -10.767 -16.774 1.00 0.00 H new ATOM 0 HA PHE A 14 -1.325 -10.338 -17.077 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.242 -8.229 -18.312 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.346 -8.282 -16.563 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.659 -9.069 -15.219 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.879 -8.278 -19.433 1.00 0.00 H new ATOM 0 HE1 PHE A 14 4.131 -8.926 -15.061 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.350 -8.130 -19.277 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.476 -8.448 -17.089 1.00 0.00 H new ATOM 228 N SER A 15 -1.510 -10.522 -19.597 1.00 0.00 N ATOM 229 CA SER A 15 -1.670 -10.907 -20.996 1.00 0.00 C ATOM 230 C SER A 15 -1.043 -9.862 -21.914 1.00 0.00 C ATOM 231 O SER A 15 -0.628 -8.800 -21.464 1.00 0.00 O ATOM 232 CB SER A 15 -3.156 -11.060 -21.323 1.00 0.00 C ATOM 233 OG SER A 15 -3.593 -12.342 -20.895 1.00 0.00 O ATOM 0 H SER A 15 -2.345 -10.121 -19.171 1.00 0.00 H new ATOM 0 HA SER A 15 -1.164 -11.859 -21.156 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.733 -10.280 -20.826 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.320 -10.944 -22.394 1.00 0.00 H new ATOM 0 HG SER A 15 -4.054 -12.260 -20.034 1.00 0.00 H new ATOM 239 N ARG A 16 -0.980 -10.175 -23.205 1.00 0.00 N ATOM 240 CA ARG A 16 -0.409 -9.251 -24.178 1.00 0.00 C ATOM 241 C ARG A 16 -1.316 -8.035 -24.362 1.00 0.00 C ATOM 242 O ARG A 16 -0.840 -6.904 -24.469 1.00 0.00 O ATOM 243 CB ARG A 16 -0.217 -9.958 -25.518 1.00 0.00 C ATOM 244 CG ARG A 16 0.925 -10.968 -25.398 1.00 0.00 C ATOM 245 CD ARG A 16 1.105 -11.695 -26.730 1.00 0.00 C ATOM 246 NE ARG A 16 2.177 -12.680 -26.624 1.00 0.00 N ATOM 247 CZ ARG A 16 3.447 -12.346 -26.832 1.00 0.00 C ATOM 248 NH1 ARG A 16 3.759 -11.115 -27.135 1.00 0.00 N ATOM 249 NH2 ARG A 16 4.382 -13.250 -26.733 1.00 0.00 N ATOM 0 H ARG A 16 -1.315 -11.054 -23.599 1.00 0.00 H new ATOM 0 HA ARG A 16 0.558 -8.912 -23.806 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.137 -10.465 -25.810 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.007 -9.230 -26.298 1.00 0.00 H new ATOM 0 HG2 ARG A 16 1.848 -10.458 -25.122 1.00 0.00 H new ATOM 0 HG3 ARG A 16 0.708 -11.685 -24.606 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.175 -12.188 -27.013 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.337 -10.977 -27.516 1.00 0.00 H new ATOM 0 HE ARG A 16 1.947 -13.645 -26.385 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.028 -10.408 -27.212 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.734 -10.860 -27.294 1.00 0.00 H new ATOM 0 HH21 ARG A 16 4.138 -14.212 -26.496 1.00 0.00 H new ATOM 0 HH22 ARG A 16 5.357 -12.995 -26.892 1.00 0.00 H new ATOM 263 N GLU A 17 -2.624 -8.280 -24.397 1.00 0.00 N ATOM 264 CA GLU A 17 -3.595 -7.208 -24.565 1.00 0.00 C ATOM 265 C GLU A 17 -3.604 -6.286 -23.353 1.00 0.00 C ATOM 266 O GLU A 17 -4.168 -5.193 -23.399 1.00 0.00 O ATOM 267 CB GLU A 17 -4.991 -7.794 -24.767 1.00 0.00 C ATOM 268 CG GLU A 17 -5.087 -8.430 -26.157 1.00 0.00 C ATOM 269 CD GLU A 17 -6.471 -9.039 -26.360 1.00 0.00 C ATOM 270 OE1 GLU A 17 -7.299 -8.885 -25.480 1.00 0.00 O ATOM 271 OE2 GLU A 17 -6.681 -9.649 -27.395 1.00 0.00 O ATOM 0 H GLU A 17 -3.033 -9.211 -24.311 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.310 -6.628 -25.443 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.197 -8.540 -24.000 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.743 -7.012 -24.661 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.896 -7.679 -26.923 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.323 -9.199 -26.267 1.00 0.00 H new ATOM 278 N ILE A 18 -2.984 -6.735 -22.269 1.00 0.00 N ATOM 279 CA ILE A 18 -2.937 -5.941 -21.045 1.00 0.00 C ATOM 280 C ILE A 18 -2.677 -4.469 -21.365 1.00 0.00 C ATOM 281 O ILE A 18 -1.998 -4.148 -22.340 1.00 0.00 O ATOM 282 CB ILE A 18 -1.829 -6.470 -20.130 1.00 0.00 C ATOM 283 CG1 ILE A 18 -1.897 -5.772 -18.765 1.00 0.00 C ATOM 284 CG2 ILE A 18 -0.467 -6.195 -20.773 1.00 0.00 C ATOM 285 CD1 ILE A 18 -3.201 -6.139 -18.039 1.00 0.00 C ATOM 0 H ILE A 18 -2.510 -7.636 -22.211 1.00 0.00 H new ATOM 0 HA ILE A 18 -3.900 -6.023 -20.542 1.00 0.00 H new ATOM 0 HB ILE A 18 -1.962 -7.543 -19.990 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.041 -6.064 -18.157 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -1.840 -4.692 -18.899 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.324 -6.570 -20.124 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.413 -6.697 -21.739 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.341 -5.122 -20.914 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.233 -5.636 -17.073 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.054 -5.824 -18.641 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -3.242 -7.218 -17.888 1.00 0.00 H new ATOM 297 N SER A 19 -3.220 -3.583 -20.539 1.00 0.00 N ATOM 298 CA SER A 19 -3.036 -2.152 -20.747 1.00 0.00 C ATOM 299 C SER A 19 -1.621 -1.733 -20.337 1.00 0.00 C ATOM 300 O SER A 19 -0.987 -2.393 -19.513 1.00 0.00 O ATOM 301 CB SER A 19 -4.071 -1.375 -19.922 1.00 0.00 C ATOM 302 OG SER A 19 -3.469 -0.207 -19.377 1.00 0.00 O ATOM 0 H SER A 19 -3.786 -3.827 -19.726 1.00 0.00 H new ATOM 0 HA SER A 19 -3.174 -1.927 -21.805 1.00 0.00 H new ATOM 0 HB2 SER A 19 -4.919 -1.100 -20.550 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.458 -2.004 -19.121 1.00 0.00 H new ATOM 0 HG SER A 19 -4.132 0.288 -18.852 1.00 0.00 H new ATOM 308 N PRO A 20 -1.121 -0.657 -20.891 1.00 0.00 N ATOM 309 CA PRO A 20 0.249 -0.148 -20.573 1.00 0.00 C ATOM 310 C PRO A 20 0.380 0.287 -19.111 1.00 0.00 C ATOM 311 O PRO A 20 1.457 0.196 -18.522 1.00 0.00 O ATOM 312 CB PRO A 20 0.429 1.043 -21.532 1.00 0.00 C ATOM 313 CG PRO A 20 -0.960 1.469 -21.889 1.00 0.00 C ATOM 314 CD PRO A 20 -1.803 0.197 -21.878 1.00 0.00 C ATOM 0 HA PRO A 20 1.012 -0.916 -20.701 1.00 0.00 H new ATOM 0 HB2 PRO A 20 0.980 1.854 -21.055 1.00 0.00 H new ATOM 0 HB3 PRO A 20 0.993 0.753 -22.419 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -1.342 2.197 -21.173 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -0.983 1.944 -22.870 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -2.834 0.401 -21.589 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -1.835 -0.272 -22.861 1.00 0.00 H new ATOM 322 N ALA A 21 -0.720 0.766 -18.537 1.00 0.00 N ATOM 323 CA ALA A 21 -0.707 1.221 -17.150 1.00 0.00 C ATOM 324 C ALA A 21 -0.441 0.057 -16.197 1.00 0.00 C ATOM 325 O ALA A 21 0.491 0.098 -15.393 1.00 0.00 O ATOM 326 CB ALA A 21 -2.053 1.864 -16.804 1.00 0.00 C ATOM 0 H ALA A 21 -1.623 0.849 -19.005 1.00 0.00 H new ATOM 0 HA ALA A 21 0.093 1.953 -17.038 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.039 2.202 -15.768 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.229 2.715 -17.461 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.850 1.133 -16.936 1.00 0.00 H new ATOM 332 N TYR A 22 -1.265 -0.979 -16.297 1.00 0.00 N ATOM 333 CA TYR A 22 -1.115 -2.148 -15.441 1.00 0.00 C ATOM 334 C TYR A 22 0.227 -2.830 -15.697 1.00 0.00 C ATOM 335 O TYR A 22 0.930 -3.236 -14.768 1.00 0.00 O ATOM 336 CB TYR A 22 -2.252 -3.131 -15.713 1.00 0.00 C ATOM 337 CG TYR A 22 -2.110 -4.324 -14.802 1.00 0.00 C ATOM 338 CD1 TYR A 22 -1.211 -5.346 -15.125 1.00 0.00 C ATOM 339 CD2 TYR A 22 -2.880 -4.408 -13.636 1.00 0.00 C ATOM 340 CE1 TYR A 22 -1.082 -6.454 -14.281 1.00 0.00 C ATOM 341 CE2 TYR A 22 -2.753 -5.516 -12.792 1.00 0.00 C ATOM 342 CZ TYR A 22 -1.855 -6.540 -13.115 1.00 0.00 C ATOM 343 OH TYR A 22 -1.726 -7.632 -12.282 1.00 0.00 O ATOM 0 H TYR A 22 -2.040 -1.033 -16.958 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.150 -1.827 -14.400 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -3.214 -2.646 -15.548 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.230 -3.450 -16.755 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.617 -5.280 -16.025 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.572 -3.617 -13.388 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.387 -7.243 -14.528 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -3.347 -5.581 -11.892 1.00 0.00 H new ATOM 0 HH TYR A 22 -2.332 -7.534 -11.518 1.00 0.00 H new ATOM 353 N ARG A 23 0.579 -2.961 -16.965 1.00 0.00 N ATOM 354 CA ARG A 23 1.830 -3.603 -17.317 1.00 0.00 C ATOM 355 C ARG A 23 2.989 -2.855 -16.668 1.00 0.00 C ATOM 356 O ARG A 23 3.900 -3.465 -16.111 1.00 0.00 O ATOM 357 CB ARG A 23 1.999 -3.614 -18.833 1.00 0.00 C ATOM 358 CG ARG A 23 3.245 -4.416 -19.201 1.00 0.00 C ATOM 359 CD ARG A 23 3.426 -4.403 -20.719 1.00 0.00 C ATOM 360 NE ARG A 23 4.504 -5.306 -21.109 1.00 0.00 N ATOM 361 CZ ARG A 23 5.002 -5.290 -22.341 1.00 0.00 C ATOM 362 NH1 ARG A 23 4.531 -4.456 -23.228 1.00 0.00 N ATOM 363 NH2 ARG A 23 5.964 -6.111 -22.665 1.00 0.00 N ATOM 0 H ARG A 23 0.024 -2.636 -17.756 1.00 0.00 H new ATOM 0 HA ARG A 23 1.821 -4.631 -16.956 1.00 0.00 H new ATOM 0 HB2 ARG A 23 1.119 -4.052 -19.304 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.086 -2.594 -19.207 1.00 0.00 H new ATOM 0 HG2 ARG A 23 4.122 -3.989 -18.715 1.00 0.00 H new ATOM 0 HG3 ARG A 23 3.150 -5.441 -18.844 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.498 -4.703 -21.205 1.00 0.00 H new ATOM 0 HD3 ARG A 23 3.650 -3.391 -21.057 1.00 0.00 H new ATOM 0 HE ARG A 23 4.882 -5.961 -20.424 1.00 0.00 H new ATOM 0 HH11 ARG A 23 3.779 -3.815 -22.976 1.00 0.00 H new ATOM 0 HH12 ARG A 23 4.915 -4.446 -24.173 1.00 0.00 H new ATOM 0 HH21 ARG A 23 6.332 -6.764 -21.973 1.00 0.00 H new ATOM 0 HH22 ARG A 23 6.347 -6.100 -23.610 1.00 0.00 H new ATOM 377 N GLN A 24 2.934 -1.528 -16.724 1.00 0.00 N ATOM 378 CA GLN A 24 3.976 -0.708 -16.120 1.00 0.00 C ATOM 379 C GLN A 24 4.003 -0.925 -14.613 1.00 0.00 C ATOM 380 O GLN A 24 5.068 -0.916 -14.002 1.00 0.00 O ATOM 381 CB GLN A 24 3.730 0.778 -16.450 1.00 0.00 C ATOM 382 CG GLN A 24 4.482 1.159 -17.734 1.00 0.00 C ATOM 383 CD GLN A 24 5.946 1.455 -17.420 1.00 0.00 C ATOM 384 OE1 GLN A 24 6.244 2.282 -16.558 1.00 0.00 O ATOM 385 NE2 GLN A 24 6.883 0.819 -18.069 1.00 0.00 N ATOM 0 H GLN A 24 2.186 -1.002 -17.177 1.00 0.00 H new ATOM 0 HA GLN A 24 4.944 -1.000 -16.528 1.00 0.00 H new ATOM 0 HB2 GLN A 24 2.663 0.960 -16.576 1.00 0.00 H new ATOM 0 HB3 GLN A 24 4.065 1.404 -15.623 1.00 0.00 H new ATOM 0 HG2 GLN A 24 4.415 0.347 -18.458 1.00 0.00 H new ATOM 0 HG3 GLN A 24 4.017 2.032 -18.191 1.00 0.00 H new ATOM 0 HE21 GLN A 24 6.634 0.134 -18.783 1.00 0.00 H new ATOM 0 HE22 GLN A 24 7.864 1.007 -17.862 1.00 0.00 H new ATOM 394 N LYS A 25 2.835 -1.132 -14.016 1.00 0.00 N ATOM 395 CA LYS A 25 2.785 -1.361 -12.580 1.00 0.00 C ATOM 396 C LYS A 25 3.606 -2.595 -12.237 1.00 0.00 C ATOM 397 O LYS A 25 4.345 -2.591 -11.266 1.00 0.00 O ATOM 398 CB LYS A 25 1.337 -1.542 -12.105 1.00 0.00 C ATOM 399 CG LYS A 25 0.562 -0.218 -12.241 1.00 0.00 C ATOM 400 CD LYS A 25 0.779 0.649 -10.996 1.00 0.00 C ATOM 401 CE LYS A 25 0.013 1.961 -11.150 1.00 0.00 C ATOM 402 NZ LYS A 25 0.204 2.787 -9.926 1.00 0.00 N ATOM 0 H LYS A 25 1.932 -1.146 -14.490 1.00 0.00 H new ATOM 0 HA LYS A 25 3.201 -0.492 -12.071 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.849 -2.319 -12.692 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.326 -1.873 -11.067 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.895 0.318 -13.130 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.501 -0.421 -12.371 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.438 0.119 -10.107 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.842 0.850 -10.860 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.368 2.502 -12.027 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.047 1.761 -11.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.316 3.682 -10.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.154 2.269 -9.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.216 2.988 -9.797 1.00 0.00 H new ATOM 416 N LEU A 26 3.491 -3.645 -13.046 1.00 0.00 N ATOM 417 CA LEU A 26 4.277 -4.859 -12.801 1.00 0.00 C ATOM 418 C LEU A 26 5.762 -4.612 -13.090 1.00 0.00 C ATOM 419 O LEU A 26 6.632 -5.112 -12.374 1.00 0.00 O ATOM 420 CB LEU A 26 3.755 -6.036 -13.650 1.00 0.00 C ATOM 421 CG LEU A 26 2.576 -6.733 -12.941 1.00 0.00 C ATOM 422 CD1 LEU A 26 3.023 -7.336 -11.593 1.00 0.00 C ATOM 423 CD2 LEU A 26 1.447 -5.723 -12.711 1.00 0.00 C ATOM 0 H LEU A 26 2.877 -3.685 -13.860 1.00 0.00 H new ATOM 0 HA LEU A 26 4.167 -5.121 -11.749 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.436 -5.674 -14.627 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.558 -6.752 -13.822 1.00 0.00 H new ATOM 0 HG LEU A 26 2.219 -7.544 -13.576 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.174 -7.822 -11.112 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.811 -8.069 -11.766 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.401 -6.543 -10.947 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.614 -6.216 -12.210 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.812 -4.905 -12.089 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.111 -5.328 -13.670 1.00 0.00 H new ATOM 435 N LEU A 27 6.047 -3.852 -14.144 1.00 0.00 N ATOM 436 CA LEU A 27 7.431 -3.556 -14.525 1.00 0.00 C ATOM 437 C LEU A 27 8.007 -2.404 -13.693 1.00 0.00 C ATOM 438 O LEU A 27 9.220 -2.198 -13.666 1.00 0.00 O ATOM 439 CB LEU A 27 7.502 -3.222 -16.029 1.00 0.00 C ATOM 440 CG LEU A 27 7.661 -4.514 -16.848 1.00 0.00 C ATOM 441 CD1 LEU A 27 6.468 -5.443 -16.607 1.00 0.00 C ATOM 442 CD2 LEU A 27 7.739 -4.164 -18.335 1.00 0.00 C ATOM 0 H LEU A 27 5.343 -3.430 -14.749 1.00 0.00 H new ATOM 0 HA LEU A 27 8.035 -4.441 -14.325 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.598 -2.696 -16.336 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.341 -2.554 -16.222 1.00 0.00 H new ATOM 0 HG LEU A 27 8.574 -5.022 -16.538 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.592 -6.354 -17.192 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.412 -5.697 -15.548 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.549 -4.941 -16.909 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.852 -5.078 -18.918 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.826 -3.651 -18.637 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.595 -3.513 -18.511 1.00 0.00 H new ATOM 454 N SER A 28 7.137 -1.659 -13.022 1.00 0.00 N ATOM 455 CA SER A 28 7.582 -0.536 -12.201 1.00 0.00 C ATOM 456 C SER A 28 8.588 -1.006 -11.144 1.00 0.00 C ATOM 457 O SER A 28 9.468 -0.248 -10.740 1.00 0.00 O ATOM 458 CB SER A 28 6.368 0.145 -11.545 1.00 0.00 C ATOM 459 OG SER A 28 5.849 1.128 -12.431 1.00 0.00 O ATOM 0 H SER A 28 6.128 -1.809 -13.028 1.00 0.00 H new ATOM 0 HA SER A 28 8.085 0.192 -12.838 1.00 0.00 H new ATOM 0 HB2 SER A 28 5.602 -0.595 -11.314 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.660 0.606 -10.602 1.00 0.00 H new ATOM 0 HG SER A 28 5.444 0.688 -13.207 1.00 0.00 H new ATOM 465 N LEU A 29 8.459 -2.262 -10.703 1.00 0.00 N ATOM 466 CA LEU A 29 9.379 -2.820 -9.695 1.00 0.00 C ATOM 467 C LEU A 29 9.837 -4.225 -10.098 1.00 0.00 C ATOM 468 O LEU A 29 9.484 -4.718 -11.170 1.00 0.00 O ATOM 469 CB LEU A 29 8.719 -2.868 -8.297 1.00 0.00 C ATOM 470 CG LEU A 29 7.234 -3.256 -8.399 1.00 0.00 C ATOM 471 CD1 LEU A 29 6.412 -2.127 -9.050 1.00 0.00 C ATOM 472 CD2 LEU A 29 7.090 -4.543 -9.222 1.00 0.00 C ATOM 0 H LEU A 29 7.737 -2.908 -11.021 1.00 0.00 H new ATOM 0 HA LEU A 29 10.247 -2.162 -9.645 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.244 -3.587 -7.668 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.812 -1.895 -7.814 1.00 0.00 H new ATOM 0 HG LEU A 29 6.852 -3.421 -7.391 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.366 -2.427 -9.110 1.00 0.00 H new ATOM 0 HD12 LEU A 29 6.496 -1.222 -8.448 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.792 -1.932 -10.053 1.00 0.00 H new ATOM 0 HD21 LEU A 29 6.037 -4.814 -9.292 1.00 0.00 H new ATOM 0 HD22 LEU A 29 7.490 -4.382 -10.223 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.641 -5.349 -8.737 1.00 0.00 H new ATOM 484 N GLY A 30 10.626 -4.860 -9.228 1.00 0.00 N ATOM 485 CA GLY A 30 11.134 -6.212 -9.491 1.00 0.00 C ATOM 486 C GLY A 30 10.256 -7.266 -8.816 1.00 0.00 C ATOM 487 O GLY A 30 10.404 -8.466 -9.060 1.00 0.00 O ATOM 0 H GLY A 30 10.927 -4.463 -8.338 1.00 0.00 H new ATOM 0 HA2 GLY A 30 11.163 -6.391 -10.566 1.00 0.00 H new ATOM 0 HA3 GLY A 30 12.157 -6.298 -9.126 1.00 0.00 H new ATOM 491 N MET A 31 9.335 -6.801 -7.977 1.00 0.00 N ATOM 492 CA MET A 31 8.416 -7.688 -7.273 1.00 0.00 C ATOM 493 C MET A 31 7.340 -8.163 -8.233 1.00 0.00 C ATOM 494 O MET A 31 6.201 -7.701 -8.189 1.00 0.00 O ATOM 495 CB MET A 31 7.752 -6.950 -6.110 1.00 0.00 C ATOM 496 CG MET A 31 8.800 -6.582 -5.063 1.00 0.00 C ATOM 497 SD MET A 31 7.998 -5.725 -3.686 1.00 0.00 S ATOM 498 CE MET A 31 7.540 -7.197 -2.739 1.00 0.00 C ATOM 0 H MET A 31 9.206 -5.811 -7.768 1.00 0.00 H new ATOM 0 HA MET A 31 8.977 -8.539 -6.885 1.00 0.00 H new ATOM 0 HB2 MET A 31 7.257 -6.050 -6.474 1.00 0.00 H new ATOM 0 HB3 MET A 31 6.982 -7.578 -5.662 1.00 0.00 H new ATOM 0 HG2 MET A 31 9.302 -7.480 -4.704 1.00 0.00 H new ATOM 0 HG3 MET A 31 9.565 -5.945 -5.506 1.00 0.00 H new ATOM 0 HE1 MET A 31 6.630 -6.997 -2.174 1.00 0.00 H new ATOM 0 HE2 MET A 31 7.368 -8.030 -3.421 1.00 0.00 H new ATOM 0 HE3 MET A 31 8.346 -7.452 -2.051 1.00 0.00 H new ATOM 508 N LEU A 32 7.717 -9.082 -9.104 1.00 0.00 N ATOM 509 CA LEU A 32 6.797 -9.622 -10.098 1.00 0.00 C ATOM 510 C LEU A 32 5.950 -10.743 -9.477 1.00 0.00 C ATOM 511 O LEU A 32 6.199 -11.150 -8.342 1.00 0.00 O ATOM 512 CB LEU A 32 7.636 -10.134 -11.298 1.00 0.00 C ATOM 513 CG LEU A 32 7.386 -9.265 -12.553 1.00 0.00 C ATOM 514 CD1 LEU A 32 8.239 -7.995 -12.483 1.00 0.00 C ATOM 515 CD2 LEU A 32 7.757 -10.043 -13.810 1.00 0.00 C ATOM 0 H LEU A 32 8.658 -9.474 -9.146 1.00 0.00 H new ATOM 0 HA LEU A 32 6.106 -8.854 -10.446 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.695 -10.115 -11.042 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.379 -11.171 -11.511 1.00 0.00 H new ATOM 0 HG LEU A 32 6.330 -8.998 -12.588 1.00 0.00 H new ATOM 0 HD11 LEU A 32 8.059 -7.387 -13.369 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.972 -7.426 -11.592 1.00 0.00 H new ATOM 0 HD13 LEU A 32 9.294 -8.267 -12.438 1.00 0.00 H new ATOM 0 HD21 LEU A 32 7.577 -9.423 -14.688 1.00 0.00 H new ATOM 0 HD22 LEU A 32 8.811 -10.318 -13.770 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.148 -10.945 -13.872 1.00 0.00 H new ATOM 527 N PRO A 33 4.952 -11.234 -10.183 1.00 0.00 N ATOM 528 CA PRO A 33 4.058 -12.317 -9.667 1.00 0.00 C ATOM 529 C PRO A 33 4.836 -13.488 -9.080 1.00 0.00 C ATOM 530 O PRO A 33 6.046 -13.412 -8.872 1.00 0.00 O ATOM 531 CB PRO A 33 3.274 -12.765 -10.907 1.00 0.00 C ATOM 532 CG PRO A 33 3.251 -11.575 -11.802 1.00 0.00 C ATOM 533 CD PRO A 33 4.554 -10.810 -11.543 1.00 0.00 C ATOM 0 HA PRO A 33 3.426 -11.960 -8.854 1.00 0.00 H new ATOM 0 HB2 PRO A 33 3.755 -13.614 -11.392 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.264 -13.079 -10.643 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.180 -11.877 -12.847 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.385 -10.948 -11.591 1.00 0.00 H new ATOM 0 HD2 PRO A 33 5.318 -11.061 -12.279 1.00 0.00 H new ATOM 0 HD3 PRO A 33 4.402 -9.732 -11.597 1.00 0.00 H new ATOM 541 N GLY A 34 4.124 -14.582 -8.822 1.00 0.00 N ATOM 542 CA GLY A 34 4.739 -15.781 -8.262 1.00 0.00 C ATOM 543 C GLY A 34 4.121 -16.119 -6.910 1.00 0.00 C ATOM 544 O GLY A 34 4.638 -16.957 -6.170 1.00 0.00 O ATOM 0 H GLY A 34 3.121 -14.662 -8.992 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.607 -16.618 -8.948 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.812 -15.627 -8.149 1.00 0.00 H new ATOM 548 N SER A 35 3.006 -15.457 -6.596 1.00 0.00 N ATOM 549 CA SER A 35 2.305 -15.683 -5.330 1.00 0.00 C ATOM 550 C SER A 35 0.803 -15.775 -5.569 1.00 0.00 C ATOM 551 O SER A 35 0.358 -16.065 -6.682 1.00 0.00 O ATOM 552 CB SER A 35 2.589 -14.540 -4.356 1.00 0.00 C ATOM 553 OG SER A 35 1.779 -13.423 -4.695 1.00 0.00 O ATOM 0 H SER A 35 2.569 -14.761 -7.200 1.00 0.00 H new ATOM 0 HA SER A 35 2.663 -16.620 -4.903 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.382 -14.858 -3.334 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.643 -14.265 -4.397 1.00 0.00 H new ATOM 0 HG SER A 35 1.957 -12.688 -4.071 1.00 0.00 H new ATOM 559 N SER A 36 0.024 -15.528 -4.517 1.00 0.00 N ATOM 560 CA SER A 36 -1.436 -15.588 -4.616 1.00 0.00 C ATOM 561 C SER A 36 -2.077 -14.439 -3.848 1.00 0.00 C ATOM 562 O SER A 36 -1.444 -13.821 -2.992 1.00 0.00 O ATOM 563 CB SER A 36 -1.941 -16.920 -4.061 1.00 0.00 C ATOM 564 OG SER A 36 -1.751 -16.944 -2.652 1.00 0.00 O ATOM 0 H SER A 36 0.375 -15.286 -3.591 1.00 0.00 H new ATOM 0 HA SER A 36 -1.712 -15.502 -5.667 1.00 0.00 H new ATOM 0 HB2 SER A 36 -2.997 -17.050 -4.299 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.405 -17.748 -4.526 1.00 0.00 H new ATOM 0 HG SER A 36 -2.075 -17.796 -2.293 1.00 0.00 H new ATOM 570 N PHE A 37 -3.340 -14.159 -4.165 1.00 0.00 N ATOM 571 CA PHE A 37 -4.071 -13.078 -3.505 1.00 0.00 C ATOM 572 C PHE A 37 -5.515 -13.493 -3.261 1.00 0.00 C ATOM 573 O PHE A 37 -6.029 -14.405 -3.913 1.00 0.00 O ATOM 574 CB PHE A 37 -4.044 -11.818 -4.375 1.00 0.00 C ATOM 575 CG PHE A 37 -4.851 -12.044 -5.634 1.00 0.00 C ATOM 576 CD1 PHE A 37 -4.266 -12.674 -6.737 1.00 0.00 C ATOM 577 CD2 PHE A 37 -6.186 -11.628 -5.695 1.00 0.00 C ATOM 578 CE1 PHE A 37 -5.012 -12.887 -7.901 1.00 0.00 C ATOM 579 CE2 PHE A 37 -6.933 -11.840 -6.860 1.00 0.00 C ATOM 580 CZ PHE A 37 -6.345 -12.469 -7.962 1.00 0.00 C ATOM 0 H PHE A 37 -3.877 -14.663 -4.871 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.591 -12.868 -2.549 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -4.450 -10.973 -3.819 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -3.015 -11.565 -4.632 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.236 -12.997 -6.690 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -6.640 -11.143 -4.843 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -4.559 -13.374 -8.752 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -7.963 -11.518 -6.908 1.00 0.00 H new ATOM 0 HZ PHE A 37 -6.921 -12.632 -8.861 1.00 0.00 H new ATOM 590 N ASN A 38 -6.167 -12.815 -2.320 1.00 0.00 N ATOM 591 CA ASN A 38 -7.561 -13.105 -1.987 1.00 0.00 C ATOM 592 C ASN A 38 -8.436 -11.893 -2.284 1.00 0.00 C ATOM 593 O ASN A 38 -7.977 -10.748 -2.230 1.00 0.00 O ATOM 594 CB ASN A 38 -7.677 -13.474 -0.507 1.00 0.00 C ATOM 595 CG ASN A 38 -7.329 -12.271 0.361 1.00 0.00 C ATOM 596 OD1 ASN A 38 -6.753 -11.298 -0.128 1.00 0.00 O ATOM 597 ND2 ASN A 38 -7.644 -12.277 1.626 1.00 0.00 N ATOM 0 H ASN A 38 -5.753 -12.060 -1.773 1.00 0.00 H new ATOM 0 HA ASN A 38 -7.899 -13.944 -2.595 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -8.690 -13.811 -0.286 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -7.008 -14.304 -0.277 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -7.414 -11.475 2.213 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -8.121 -13.084 2.029 1.00 0.00 H new ATOM 604 N VAL A 39 -9.700 -12.151 -2.604 1.00 0.00 N ATOM 605 CA VAL A 39 -10.630 -11.075 -2.916 1.00 0.00 C ATOM 606 C VAL A 39 -11.296 -10.565 -1.641 1.00 0.00 C ATOM 607 O VAL A 39 -11.872 -11.340 -0.881 1.00 0.00 O ATOM 608 CB VAL A 39 -11.708 -11.584 -3.875 1.00 0.00 C ATOM 609 CG1 VAL A 39 -12.663 -10.441 -4.224 1.00 0.00 C ATOM 610 CG2 VAL A 39 -11.050 -12.117 -5.150 1.00 0.00 C ATOM 0 H VAL A 39 -10.100 -13.088 -2.654 1.00 0.00 H new ATOM 0 HA VAL A 39 -10.076 -10.261 -3.383 1.00 0.00 H new ATOM 0 HB VAL A 39 -12.269 -12.388 -3.398 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -13.431 -10.804 -4.907 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -13.134 -10.069 -3.314 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -12.106 -9.634 -4.700 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -11.819 -12.479 -5.832 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -10.486 -11.317 -5.630 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -10.375 -12.935 -4.897 1.00 0.00 H new ATOM 620 N VAL A 40 -11.216 -9.258 -1.415 1.00 0.00 N ATOM 621 CA VAL A 40 -11.823 -8.662 -0.231 1.00 0.00 C ATOM 622 C VAL A 40 -13.347 -8.720 -0.311 1.00 0.00 C ATOM 623 O VAL A 40 -14.017 -9.033 0.674 1.00 0.00 O ATOM 624 CB VAL A 40 -11.336 -7.212 -0.069 1.00 0.00 C ATOM 625 CG1 VAL A 40 -11.379 -6.486 -1.415 1.00 0.00 C ATOM 626 CG2 VAL A 40 -12.219 -6.466 0.940 1.00 0.00 C ATOM 0 H VAL A 40 -10.741 -8.597 -2.030 1.00 0.00 H new ATOM 0 HA VAL A 40 -11.517 -9.234 0.645 1.00 0.00 H new ATOM 0 HB VAL A 40 -10.309 -7.232 0.296 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -11.032 -5.461 -1.287 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -10.734 -7.001 -2.127 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -12.402 -6.478 -1.792 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -11.864 -5.441 1.046 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -13.250 -6.458 0.586 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -12.171 -6.968 1.906 1.00 0.00 H new ATOM 636 N ARG A 41 -13.888 -8.407 -1.481 1.00 0.00 N ATOM 637 CA ARG A 41 -15.331 -8.413 -1.666 1.00 0.00 C ATOM 638 C ARG A 41 -15.679 -8.183 -3.130 1.00 0.00 C ATOM 639 O ARG A 41 -14.980 -7.448 -3.828 1.00 0.00 O ATOM 640 CB ARG A 41 -15.952 -7.297 -0.822 1.00 0.00 C ATOM 641 CG ARG A 41 -15.512 -5.931 -1.365 1.00 0.00 C ATOM 642 CD ARG A 41 -15.989 -4.834 -0.412 1.00 0.00 C ATOM 643 NE ARG A 41 -15.632 -3.517 -0.927 1.00 0.00 N ATOM 644 CZ ARG A 41 -16.048 -2.407 -0.324 1.00 0.00 C ATOM 645 NH1 ARG A 41 -16.792 -2.486 0.746 1.00 0.00 N ATOM 646 NH2 ARG A 41 -15.713 -1.240 -0.802 1.00 0.00 N ATOM 0 H ARG A 41 -13.353 -8.148 -2.310 1.00 0.00 H new ATOM 0 HA ARG A 41 -15.723 -9.382 -1.356 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -17.039 -7.374 -0.843 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -15.645 -7.401 0.219 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -14.427 -5.898 -1.463 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -15.927 -5.771 -2.360 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -17.069 -4.900 -0.284 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -15.542 -4.979 0.572 1.00 0.00 H new ATOM 0 HE ARG A 41 -15.053 -3.446 -1.764 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -17.054 -3.399 1.119 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -17.111 -1.635 1.209 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -15.132 -1.179 -1.638 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -16.032 -0.389 -0.339 1.00 0.00 H new ATOM 660 N VAL A 42 -16.773 -8.787 -3.589 1.00 0.00 N ATOM 661 CA VAL A 42 -17.212 -8.602 -4.979 1.00 0.00 C ATOM 662 C VAL A 42 -18.569 -7.902 -5.007 1.00 0.00 C ATOM 663 O VAL A 42 -19.520 -8.350 -4.370 1.00 0.00 O ATOM 664 CB VAL A 42 -17.316 -9.961 -5.677 1.00 0.00 C ATOM 665 CG1 VAL A 42 -15.967 -10.679 -5.592 1.00 0.00 C ATOM 666 CG2 VAL A 42 -18.395 -10.807 -4.991 1.00 0.00 C ATOM 0 H VAL A 42 -17.367 -9.401 -3.032 1.00 0.00 H new ATOM 0 HA VAL A 42 -16.482 -7.986 -5.503 1.00 0.00 H new ATOM 0 HB VAL A 42 -17.584 -9.815 -6.723 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -16.038 -11.647 -6.088 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -15.202 -10.076 -6.081 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -15.699 -10.826 -4.546 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -18.469 -11.774 -5.488 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -18.130 -10.956 -3.944 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -19.354 -10.293 -5.053 1.00 0.00 H new ATOM 676 N ALA A 43 -18.655 -6.789 -5.738 1.00 0.00 N ATOM 677 CA ALA A 43 -19.909 -6.036 -5.822 1.00 0.00 C ATOM 678 C ALA A 43 -20.720 -6.461 -7.059 1.00 0.00 C ATOM 679 O ALA A 43 -20.317 -6.169 -8.184 1.00 0.00 O ATOM 680 CB ALA A 43 -19.598 -4.540 -5.919 1.00 0.00 C ATOM 0 H ALA A 43 -17.883 -6.393 -6.274 1.00 0.00 H new ATOM 0 HA ALA A 43 -20.497 -6.243 -4.928 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -20.530 -3.978 -5.982 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -19.043 -4.226 -5.035 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -18.999 -4.350 -6.810 1.00 0.00 H new ATOM 686 N PRO A 44 -21.844 -7.137 -6.894 1.00 0.00 N ATOM 687 CA PRO A 44 -22.677 -7.576 -8.053 1.00 0.00 C ATOM 688 C PRO A 44 -23.498 -6.430 -8.645 1.00 0.00 C ATOM 689 O PRO A 44 -24.084 -6.564 -9.721 1.00 0.00 O ATOM 690 CB PRO A 44 -23.573 -8.673 -7.467 1.00 0.00 C ATOM 691 CG PRO A 44 -23.726 -8.323 -6.021 1.00 0.00 C ATOM 692 CD PRO A 44 -22.450 -7.559 -5.611 1.00 0.00 C ATOM 0 HA PRO A 44 -22.069 -7.930 -8.885 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -24.540 -8.702 -7.970 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -23.121 -9.657 -7.588 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -24.612 -7.708 -5.864 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -23.850 -9.222 -5.417 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -22.686 -6.701 -4.982 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -21.772 -8.195 -5.042 1.00 0.00 H new ATOM 700 N LEU A 45 -23.556 -5.317 -7.923 1.00 0.00 N ATOM 701 CA LEU A 45 -24.329 -4.163 -8.364 1.00 0.00 C ATOM 702 C LEU A 45 -23.814 -3.638 -9.704 1.00 0.00 C ATOM 703 O LEU A 45 -24.582 -3.107 -10.507 1.00 0.00 O ATOM 704 CB LEU A 45 -24.234 -3.052 -7.317 1.00 0.00 C ATOM 705 CG LEU A 45 -24.575 -3.613 -5.932 1.00 0.00 C ATOM 706 CD1 LEU A 45 -24.424 -2.504 -4.887 1.00 0.00 C ATOM 707 CD2 LEU A 45 -26.018 -4.137 -5.920 1.00 0.00 C ATOM 0 H LEU A 45 -23.078 -5.190 -7.031 1.00 0.00 H new ATOM 0 HA LEU A 45 -25.367 -4.473 -8.487 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -23.229 -2.630 -7.311 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -24.918 -2.242 -7.570 1.00 0.00 H new ATOM 0 HG LEU A 45 -23.897 -4.434 -5.698 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -24.666 -2.899 -3.900 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -23.397 -2.138 -4.890 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -25.102 -1.684 -5.126 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -26.253 -4.534 -4.932 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -26.703 -3.322 -6.156 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -26.124 -4.927 -6.663 1.00 0.00 H new ATOM 719 N GLY A 46 -22.512 -3.792 -9.944 1.00 0.00 N ATOM 720 CA GLY A 46 -21.902 -3.330 -11.198 1.00 0.00 C ATOM 721 C GLY A 46 -20.669 -2.473 -10.927 1.00 0.00 C ATOM 722 O GLY A 46 -20.302 -1.626 -11.741 1.00 0.00 O ATOM 0 H GLY A 46 -21.860 -4.230 -9.293 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -21.624 -4.189 -11.809 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -22.630 -2.754 -11.770 1.00 0.00 H new ATOM 726 N ASP A 47 -20.028 -2.702 -9.781 1.00 0.00 N ATOM 727 CA ASP A 47 -18.828 -1.950 -9.407 1.00 0.00 C ATOM 728 C ASP A 47 -17.578 -2.767 -9.755 1.00 0.00 C ATOM 729 O ASP A 47 -17.655 -3.983 -9.926 1.00 0.00 O ATOM 730 CB ASP A 47 -18.872 -1.644 -7.892 1.00 0.00 C ATOM 731 CG ASP A 47 -19.236 -0.181 -7.639 1.00 0.00 C ATOM 732 OD1 ASP A 47 -20.276 0.242 -8.114 1.00 0.00 O ATOM 733 OD2 ASP A 47 -18.472 0.492 -6.964 1.00 0.00 O ATOM 0 H ASP A 47 -20.318 -3.400 -9.096 1.00 0.00 H new ATOM 0 HA ASP A 47 -18.792 -1.010 -9.958 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -19.601 -2.293 -7.407 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.903 -1.864 -7.445 1.00 0.00 H new ATOM 738 N PRO A 48 -16.447 -2.123 -9.863 1.00 0.00 N ATOM 739 CA PRO A 48 -15.163 -2.804 -10.203 1.00 0.00 C ATOM 740 C PRO A 48 -14.863 -3.951 -9.243 1.00 0.00 C ATOM 741 O PRO A 48 -15.594 -4.177 -8.279 1.00 0.00 O ATOM 742 CB PRO A 48 -14.105 -1.686 -10.098 1.00 0.00 C ATOM 743 CG PRO A 48 -14.776 -0.576 -9.342 1.00 0.00 C ATOM 744 CD PRO A 48 -16.259 -0.680 -9.672 1.00 0.00 C ATOM 0 HA PRO A 48 -15.187 -3.262 -11.192 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -13.214 -2.035 -9.576 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -13.786 -1.353 -11.085 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -14.607 -0.676 -8.270 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -14.377 0.394 -9.638 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -16.881 -0.294 -8.865 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -16.515 -0.116 -10.569 1.00 0.00 H new ATOM 752 N ILE A 49 -13.787 -4.682 -9.525 1.00 0.00 N ATOM 753 CA ILE A 49 -13.402 -5.818 -8.695 1.00 0.00 C ATOM 754 C ILE A 49 -12.374 -5.381 -7.656 1.00 0.00 C ATOM 755 O ILE A 49 -11.249 -5.018 -7.997 1.00 0.00 O ATOM 756 CB ILE A 49 -12.799 -6.912 -9.588 1.00 0.00 C ATOM 757 CG1 ILE A 49 -13.605 -7.001 -10.889 1.00 0.00 C ATOM 758 CG2 ILE A 49 -12.837 -8.264 -8.873 1.00 0.00 C ATOM 759 CD1 ILE A 49 -15.100 -7.160 -10.579 1.00 0.00 C ATOM 0 H ILE A 49 -13.170 -4.508 -10.318 1.00 0.00 H new ATOM 0 HA ILE A 49 -14.282 -6.205 -8.180 1.00 0.00 H new ATOM 0 HB ILE A 49 -11.762 -6.660 -9.808 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -13.444 -6.104 -11.487 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -13.258 -7.846 -11.483 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -12.406 -9.029 -9.519 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -12.262 -8.203 -7.949 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -13.870 -8.524 -8.641 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -15.660 -7.222 -11.512 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -15.257 -8.070 -10.000 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -15.446 -6.301 -10.004 1.00 0.00 H new ATOM 771 N HIS A 50 -12.765 -5.422 -6.384 1.00 0.00 N ATOM 772 CA HIS A 50 -11.863 -5.031 -5.305 1.00 0.00 C ATOM 773 C HIS A 50 -11.151 -6.253 -4.758 1.00 0.00 C ATOM 774 O HIS A 50 -11.788 -7.183 -4.262 1.00 0.00 O ATOM 775 CB HIS A 50 -12.642 -4.358 -4.173 1.00 0.00 C ATOM 776 CG HIS A 50 -13.173 -3.034 -4.649 1.00 0.00 C ATOM 777 ND1 HIS A 50 -13.435 -1.988 -3.777 1.00 0.00 N ATOM 778 CD2 HIS A 50 -13.480 -2.562 -5.901 1.00 0.00 C ATOM 779 CE1 HIS A 50 -13.875 -0.950 -4.509 1.00 0.00 C ATOM 780 NE2 HIS A 50 -13.922 -1.245 -5.810 1.00 0.00 N ATOM 0 H HIS A 50 -13.691 -5.719 -6.078 1.00 0.00 H new ATOM 0 HA HIS A 50 -11.133 -4.328 -5.706 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -13.464 -4.998 -3.852 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -11.995 -4.213 -3.308 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -13.316 -2.003 -2.764 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -13.392 -3.127 -6.817 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -14.156 0.007 -4.095 1.00 0.00 H new ATOM 788 N ILE A 51 -9.824 -6.247 -4.848 1.00 0.00 N ATOM 789 CA ILE A 51 -9.024 -7.365 -4.355 1.00 0.00 C ATOM 790 C ILE A 51 -7.949 -6.867 -3.403 1.00 0.00 C ATOM 791 O ILE A 51 -7.470 -5.738 -3.529 1.00 0.00 O ATOM 792 CB ILE A 51 -8.379 -8.106 -5.534 1.00 0.00 C ATOM 793 CG1 ILE A 51 -7.508 -7.136 -6.346 1.00 0.00 C ATOM 794 CG2 ILE A 51 -9.469 -8.686 -6.440 1.00 0.00 C ATOM 795 CD1 ILE A 51 -6.758 -7.908 -7.433 1.00 0.00 C ATOM 0 H ILE A 51 -9.282 -5.485 -5.255 1.00 0.00 H new ATOM 0 HA ILE A 51 -9.676 -8.052 -3.816 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.758 -8.914 -5.147 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.130 -6.364 -6.798 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.799 -6.631 -5.690 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -9.006 -9.211 -7.276 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -10.084 -9.382 -5.870 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -10.094 -7.878 -6.821 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -6.140 -7.219 -8.009 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -6.124 -8.664 -6.970 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -7.475 -8.392 -8.096 1.00 0.00 H new ATOM 807 N GLU A 52 -7.569 -7.716 -2.447 1.00 0.00 N ATOM 808 CA GLU A 52 -6.543 -7.351 -1.470 1.00 0.00 C ATOM 809 C GLU A 52 -5.441 -8.396 -1.451 1.00 0.00 C ATOM 810 O GLU A 52 -5.710 -9.597 -1.399 1.00 0.00 O ATOM 811 CB GLU A 52 -7.170 -7.220 -0.076 1.00 0.00 C ATOM 812 CG GLU A 52 -6.276 -6.366 0.827 1.00 0.00 C ATOM 813 CD GLU A 52 -4.950 -7.075 1.076 1.00 0.00 C ATOM 814 OE1 GLU A 52 -4.951 -8.294 1.123 1.00 0.00 O ATOM 815 OE2 GLU A 52 -3.951 -6.389 1.221 1.00 0.00 O ATOM 0 H GLU A 52 -7.953 -8.654 -2.329 1.00 0.00 H new ATOM 0 HA GLU A 52 -6.110 -6.392 -1.755 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.158 -6.767 -0.155 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -7.306 -8.208 0.364 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.097 -5.397 0.362 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -6.779 -6.177 1.775 1.00 0.00 H new ATOM 822 N THR A 53 -4.193 -7.930 -1.500 1.00 0.00 N ATOM 823 CA THR A 53 -3.042 -8.830 -1.496 1.00 0.00 C ATOM 824 C THR A 53 -2.136 -8.507 -0.319 1.00 0.00 C ATOM 825 O THR A 53 -1.891 -7.340 -0.012 1.00 0.00 O ATOM 826 CB THR A 53 -2.250 -8.679 -2.805 1.00 0.00 C ATOM 827 OG1 THR A 53 -1.218 -7.719 -2.624 1.00 0.00 O ATOM 828 CG2 THR A 53 -3.183 -8.205 -3.928 1.00 0.00 C ATOM 0 H THR A 53 -3.955 -6.939 -1.543 1.00 0.00 H new ATOM 0 HA THR A 53 -3.400 -9.856 -1.408 1.00 0.00 H new ATOM 0 HB THR A 53 -1.818 -9.643 -3.074 1.00 0.00 H new ATOM 0 HG1 THR A 53 -1.584 -6.818 -2.748 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.615 -8.100 -4.853 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.979 -8.935 -4.072 1.00 0.00 H new ATOM 0 HG23 THR A 53 -3.618 -7.243 -3.658 1.00 0.00 H new ATOM 836 N ARG A 54 -1.639 -9.550 0.331 1.00 0.00 N ATOM 837 CA ARG A 54 -0.758 -9.383 1.480 1.00 0.00 C ATOM 838 C ARG A 54 0.227 -8.243 1.232 1.00 0.00 C ATOM 839 O ARG A 54 0.543 -7.473 2.140 1.00 0.00 O ATOM 840 CB ARG A 54 0.008 -10.682 1.726 1.00 0.00 C ATOM 841 CG ARG A 54 -0.988 -11.834 1.877 1.00 0.00 C ATOM 842 CD ARG A 54 -0.229 -13.139 2.118 1.00 0.00 C ATOM 843 NE ARG A 54 -1.159 -14.262 2.185 1.00 0.00 N ATOM 844 CZ ARG A 54 -0.722 -15.506 2.356 1.00 0.00 C ATOM 845 NH1 ARG A 54 0.556 -15.738 2.485 1.00 0.00 N ATOM 846 NH2 ARG A 54 -1.572 -16.497 2.396 1.00 0.00 N ATOM 0 H ARG A 54 -1.830 -10.521 0.083 1.00 0.00 H new ATOM 0 HA ARG A 54 -1.359 -9.141 2.356 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.688 -10.880 0.897 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.618 -10.593 2.625 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.665 -11.636 2.708 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.601 -11.918 0.980 1.00 0.00 H new ATOM 0 HD2 ARG A 54 0.491 -13.302 1.316 1.00 0.00 H new ATOM 0 HD3 ARG A 54 0.338 -13.072 3.047 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.161 -14.090 2.099 1.00 0.00 H new ATOM 0 HH11 ARG A 54 1.220 -14.965 2.455 1.00 0.00 H new ATOM 0 HH12 ARG A 54 0.890 -16.693 2.616 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -2.571 -16.316 2.296 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.237 -17.451 2.527 1.00 0.00 H new ATOM 860 N ARG A 55 0.707 -8.145 -0.003 1.00 0.00 N ATOM 861 CA ARG A 55 1.652 -7.096 -0.359 1.00 0.00 C ATOM 862 C ARG A 55 0.986 -5.725 -0.297 1.00 0.00 C ATOM 863 O ARG A 55 1.522 -4.791 0.298 1.00 0.00 O ATOM 864 CB ARG A 55 2.181 -7.342 -1.774 1.00 0.00 C ATOM 865 CG ARG A 55 3.258 -6.311 -2.117 1.00 0.00 C ATOM 866 CD ARG A 55 3.778 -6.576 -3.530 1.00 0.00 C ATOM 867 NE ARG A 55 4.476 -7.856 -3.578 1.00 0.00 N ATOM 868 CZ ARG A 55 4.702 -8.470 -4.734 1.00 0.00 C ATOM 869 NH1 ARG A 55 4.293 -7.933 -5.850 1.00 0.00 N ATOM 870 NH2 ARG A 55 5.331 -9.615 -4.752 1.00 0.00 N ATOM 0 H ARG A 55 0.459 -8.774 -0.767 1.00 0.00 H new ATOM 0 HA ARG A 55 2.477 -7.116 0.354 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.593 -8.348 -1.847 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.364 -7.279 -2.493 1.00 0.00 H new ATOM 0 HG2 ARG A 55 2.848 -5.303 -2.051 1.00 0.00 H new ATOM 0 HG3 ARG A 55 4.076 -6.370 -1.399 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.948 -6.580 -4.236 1.00 0.00 H new ATOM 0 HD3 ARG A 55 4.451 -5.775 -3.834 1.00 0.00 H new ATOM 0 HE ARG A 55 4.796 -8.286 -2.710 1.00 0.00 H new ATOM 0 HH11 ARG A 55 3.799 -7.041 -5.836 1.00 0.00 H new ATOM 0 HH12 ARG A 55 4.467 -8.405 -6.737 1.00 0.00 H new ATOM 0 HH21 ARG A 55 5.648 -10.037 -3.879 1.00 0.00 H new ATOM 0 HH22 ARG A 55 5.505 -10.087 -5.639 1.00 0.00 H new ATOM 884 N VAL A 56 -0.188 -5.610 -0.915 1.00 0.00 N ATOM 885 CA VAL A 56 -0.911 -4.341 -0.918 1.00 0.00 C ATOM 886 C VAL A 56 -2.303 -4.513 -1.499 1.00 0.00 C ATOM 887 O VAL A 56 -2.636 -5.565 -2.041 1.00 0.00 O ATOM 888 CB VAL A 56 -0.139 -3.307 -1.737 1.00 0.00 C ATOM 889 CG1 VAL A 56 -0.165 -3.692 -3.220 1.00 0.00 C ATOM 890 CG2 VAL A 56 -0.758 -1.910 -1.559 1.00 0.00 C ATOM 0 H VAL A 56 -0.653 -6.369 -1.413 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.005 -3.997 0.112 1.00 0.00 H new ATOM 0 HB VAL A 56 0.892 -3.285 -1.384 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.387 -2.951 -3.798 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.297 -4.671 -3.350 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.197 -3.729 -3.568 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.197 -1.185 -2.149 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.795 -1.926 -1.895 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.722 -1.627 -0.507 1.00 0.00 H new ATOM 900 N SER A 57 -3.111 -3.460 -1.402 1.00 0.00 N ATOM 901 CA SER A 57 -4.460 -3.498 -1.944 1.00 0.00 C ATOM 902 C SER A 57 -4.453 -3.110 -3.421 1.00 0.00 C ATOM 903 O SER A 57 -3.596 -2.345 -3.864 1.00 0.00 O ATOM 904 CB SER A 57 -5.368 -2.546 -1.164 1.00 0.00 C ATOM 905 OG SER A 57 -5.217 -1.229 -1.677 1.00 0.00 O ATOM 0 H SER A 57 -2.855 -2.579 -0.957 1.00 0.00 H new ATOM 0 HA SER A 57 -4.841 -4.515 -1.849 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.407 -2.865 -1.248 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.113 -2.568 -0.105 1.00 0.00 H new ATOM 0 HG SER A 57 -5.799 -0.616 -1.181 1.00 0.00 H new ATOM 911 N LEU A 58 -5.413 -3.637 -4.178 1.00 0.00 N ATOM 912 CA LEU A 58 -5.509 -3.330 -5.606 1.00 0.00 C ATOM 913 C LEU A 58 -6.940 -3.529 -6.095 1.00 0.00 C ATOM 914 O LEU A 58 -7.652 -4.415 -5.622 1.00 0.00 O ATOM 915 CB LEU A 58 -4.553 -4.229 -6.408 1.00 0.00 C ATOM 916 CG LEU A 58 -4.624 -3.888 -7.908 1.00 0.00 C ATOM 917 CD1 LEU A 58 -4.188 -2.433 -8.151 1.00 0.00 C ATOM 918 CD2 LEU A 58 -3.699 -4.836 -8.678 1.00 0.00 C ATOM 0 H LEU A 58 -6.131 -4.274 -3.832 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.226 -2.288 -5.756 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.533 -4.098 -6.047 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.814 -5.276 -6.254 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.651 -4.004 -8.253 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.244 -2.209 -9.216 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.847 -1.759 -7.603 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.163 -2.298 -7.806 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.742 -4.602 -9.742 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.676 -4.715 -8.321 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.020 -5.866 -8.519 1.00 0.00 H new ATOM 930 N VAL A 59 -7.349 -2.703 -7.057 1.00 0.00 N ATOM 931 CA VAL A 59 -8.693 -2.795 -7.630 1.00 0.00 C ATOM 932 C VAL A 59 -8.596 -2.929 -9.143 1.00 0.00 C ATOM 933 O VAL A 59 -7.880 -2.171 -9.799 1.00 0.00 O ATOM 934 CB VAL A 59 -9.510 -1.550 -7.277 1.00 0.00 C ATOM 935 CG1 VAL A 59 -8.842 -0.311 -7.872 1.00 0.00 C ATOM 936 CG2 VAL A 59 -10.923 -1.692 -7.853 1.00 0.00 C ATOM 0 H VAL A 59 -6.771 -1.963 -7.456 1.00 0.00 H new ATOM 0 HA VAL A 59 -9.191 -3.672 -7.216 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.563 -1.446 -6.193 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -9.426 0.574 -7.619 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.835 -0.210 -7.466 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -8.788 -0.412 -8.956 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -11.508 -0.807 -7.604 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.866 -1.796 -8.937 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -11.402 -2.575 -7.429 1.00 0.00 H new ATOM 946 N LEU A 60 -9.312 -3.907 -9.691 1.00 0.00 N ATOM 947 CA LEU A 60 -9.293 -4.157 -11.133 1.00 0.00 C ATOM 948 C LEU A 60 -10.710 -4.372 -11.659 1.00 0.00 C ATOM 949 O LEU A 60 -11.636 -4.625 -10.893 1.00 0.00 O ATOM 950 CB LEU A 60 -8.443 -5.399 -11.419 1.00 0.00 C ATOM 951 CG LEU A 60 -6.988 -5.157 -10.998 1.00 0.00 C ATOM 952 CD1 LEU A 60 -6.204 -6.468 -11.123 1.00 0.00 C ATOM 953 CD2 LEU A 60 -6.342 -4.087 -11.899 1.00 0.00 C ATOM 0 H LEU A 60 -9.912 -4.539 -9.161 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.864 -3.291 -11.637 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.847 -6.256 -10.880 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.486 -5.641 -12.481 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.969 -4.807 -9.966 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.169 -6.303 -10.825 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.652 -7.223 -10.476 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.233 -6.812 -12.157 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.310 -3.925 -11.589 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.361 -4.424 -12.935 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.898 -3.153 -11.811 1.00 0.00 H new ATOM 965 N ARG A 61 -10.870 -4.264 -12.976 1.00 0.00 N ATOM 966 CA ARG A 61 -12.178 -4.448 -13.609 1.00 0.00 C ATOM 967 C ARG A 61 -12.378 -5.899 -14.038 1.00 0.00 C ATOM 968 O ARG A 61 -11.472 -6.722 -13.928 1.00 0.00 O ATOM 969 CB ARG A 61 -12.295 -3.530 -14.822 1.00 0.00 C ATOM 970 CG ARG A 61 -12.500 -2.091 -14.341 1.00 0.00 C ATOM 971 CD ARG A 61 -12.573 -1.168 -15.546 1.00 0.00 C ATOM 972 NE ARG A 61 -12.801 0.209 -15.115 1.00 0.00 N ATOM 973 CZ ARG A 61 -11.790 1.005 -14.782 1.00 0.00 C ATOM 974 NH1 ARG A 61 -10.564 0.560 -14.826 1.00 0.00 N ATOM 975 NH2 ARG A 61 -12.026 2.233 -14.408 1.00 0.00 N ATOM 0 H ARG A 61 -10.113 -4.051 -13.626 1.00 0.00 H new ATOM 0 HA ARG A 61 -12.951 -4.196 -12.883 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.395 -3.598 -15.433 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -13.131 -3.840 -15.449 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -13.416 -2.018 -13.755 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.680 -1.793 -13.688 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -11.646 -1.229 -16.117 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.377 -1.487 -16.209 1.00 0.00 H new ATOM 0 HE ARG A 61 -13.755 0.567 -15.069 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -10.380 -0.400 -15.116 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.790 1.173 -14.570 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -12.985 2.580 -14.372 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -11.252 2.846 -14.152 1.00 0.00 H new ATOM 989 N LYS A 62 -13.574 -6.206 -14.528 1.00 0.00 N ATOM 990 CA LYS A 62 -13.884 -7.561 -14.976 1.00 0.00 C ATOM 991 C LYS A 62 -12.978 -7.964 -16.138 1.00 0.00 C ATOM 992 O LYS A 62 -12.440 -9.073 -16.171 1.00 0.00 O ATOM 993 CB LYS A 62 -15.349 -7.633 -15.415 1.00 0.00 C ATOM 994 CG LYS A 62 -15.696 -9.069 -15.814 1.00 0.00 C ATOM 995 CD LYS A 62 -17.199 -9.181 -16.098 1.00 0.00 C ATOM 996 CE LYS A 62 -17.564 -8.359 -17.339 1.00 0.00 C ATOM 997 NZ LYS A 62 -18.868 -8.837 -17.875 1.00 0.00 N ATOM 0 H LYS A 62 -14.341 -5.541 -14.625 1.00 0.00 H new ATOM 0 HA LYS A 62 -13.715 -8.250 -14.149 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -15.999 -7.303 -14.604 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -15.521 -6.960 -16.255 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -15.127 -9.358 -16.698 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -15.415 -9.756 -15.016 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -17.471 -10.225 -16.251 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -17.767 -8.827 -15.238 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -17.628 -7.301 -17.084 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -16.787 -8.458 -18.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -19.121 -8.283 -18.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -18.790 -9.842 -18.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -19.605 -8.721 -17.150 1.00 0.00 H new ATOM 1011 N LYS A 63 -12.814 -7.050 -17.086 1.00 0.00 N ATOM 1012 CA LYS A 63 -11.973 -7.302 -18.248 1.00 0.00 C ATOM 1013 C LYS A 63 -10.531 -7.552 -17.823 1.00 0.00 C ATOM 1014 O LYS A 63 -9.839 -8.391 -18.399 1.00 0.00 O ATOM 1015 CB LYS A 63 -12.031 -6.100 -19.188 1.00 0.00 C ATOM 1016 CG LYS A 63 -13.408 -6.037 -19.851 1.00 0.00 C ATOM 1017 CD LYS A 63 -13.599 -4.668 -20.508 1.00 0.00 C ATOM 1018 CE LYS A 63 -12.441 -4.388 -21.469 1.00 0.00 C ATOM 1019 NZ LYS A 63 -12.811 -3.268 -22.378 1.00 0.00 N ATOM 0 H LYS A 63 -13.252 -6.129 -17.073 1.00 0.00 H new ATOM 0 HA LYS A 63 -12.342 -8.190 -18.762 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -11.840 -5.181 -18.633 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -11.253 -6.181 -19.947 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -13.500 -6.826 -20.598 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -14.188 -6.208 -19.109 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -14.546 -4.642 -21.048 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -13.646 -3.891 -19.745 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -11.542 -4.133 -20.908 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -12.212 -5.282 -22.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -12.025 -3.077 -23.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -13.658 -3.528 -22.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -13.009 -2.416 -21.816 1.00 0.00 H new ATOM 1033 N ASP A 64 -10.082 -6.813 -16.814 1.00 0.00 N ATOM 1034 CA ASP A 64 -8.718 -6.956 -16.324 1.00 0.00 C ATOM 1035 C ASP A 64 -8.475 -8.388 -15.844 1.00 0.00 C ATOM 1036 O ASP A 64 -7.482 -9.009 -16.219 1.00 0.00 O ATOM 1037 CB ASP A 64 -8.486 -5.977 -15.166 1.00 0.00 C ATOM 1038 CG ASP A 64 -8.201 -4.570 -15.690 1.00 0.00 C ATOM 1039 OD1 ASP A 64 -7.925 -4.437 -16.871 1.00 0.00 O ATOM 1040 OD2 ASP A 64 -8.265 -3.644 -14.900 1.00 0.00 O ATOM 0 H ASP A 64 -10.639 -6.114 -16.323 1.00 0.00 H new ATOM 0 HA ASP A 64 -8.024 -6.735 -17.135 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -9.363 -5.958 -14.519 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -7.649 -6.319 -14.557 1.00 0.00 H new ATOM 1045 N LEU A 65 -9.391 -8.917 -15.030 1.00 0.00 N ATOM 1046 CA LEU A 65 -9.247 -10.286 -14.536 1.00 0.00 C ATOM 1047 C LEU A 65 -9.285 -11.271 -15.701 1.00 0.00 C ATOM 1048 O LEU A 65 -8.509 -12.226 -15.739 1.00 0.00 O ATOM 1049 CB LEU A 65 -10.361 -10.629 -13.519 1.00 0.00 C ATOM 1050 CG LEU A 65 -9.927 -10.245 -12.099 1.00 0.00 C ATOM 1051 CD1 LEU A 65 -9.735 -8.737 -11.996 1.00 0.00 C ATOM 1052 CD2 LEU A 65 -10.980 -10.690 -11.096 1.00 0.00 C ATOM 0 H LEU A 65 -10.225 -8.428 -14.704 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.285 -10.365 -14.030 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -11.277 -10.100 -13.782 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.585 -11.695 -13.562 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.982 -10.742 -11.878 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.427 -8.478 -10.983 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.967 -8.419 -12.701 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.673 -8.234 -12.230 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.664 -10.414 -10.090 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -11.929 -10.204 -11.325 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -11.103 -11.772 -11.153 1.00 0.00 H new ATOM 1064 N ALA A 66 -10.187 -11.035 -16.646 1.00 0.00 N ATOM 1065 CA ALA A 66 -10.300 -11.919 -17.797 1.00 0.00 C ATOM 1066 C ALA A 66 -8.972 -11.982 -18.548 1.00 0.00 C ATOM 1067 O ALA A 66 -8.458 -13.063 -18.831 1.00 0.00 O ATOM 1068 CB ALA A 66 -11.398 -11.416 -18.737 1.00 0.00 C ATOM 0 H ALA A 66 -10.841 -10.252 -16.639 1.00 0.00 H new ATOM 0 HA ALA A 66 -10.557 -12.918 -17.445 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -11.476 -12.083 -19.595 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.350 -11.395 -18.206 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -11.151 -10.411 -19.080 1.00 0.00 H new ATOM 1074 N LEU A 67 -8.423 -10.814 -18.863 1.00 0.00 N ATOM 1075 CA LEU A 67 -7.153 -10.741 -19.579 1.00 0.00 C ATOM 1076 C LEU A 67 -5.997 -11.221 -18.705 1.00 0.00 C ATOM 1077 O LEU A 67 -5.109 -11.930 -19.173 1.00 0.00 O ATOM 1078 CB LEU A 67 -6.888 -9.303 -20.017 1.00 0.00 C ATOM 1079 CG LEU A 67 -7.902 -8.890 -21.091 1.00 0.00 C ATOM 1080 CD1 LEU A 67 -7.776 -7.385 -21.337 1.00 0.00 C ATOM 1081 CD2 LEU A 67 -7.636 -9.657 -22.404 1.00 0.00 C ATOM 0 H LEU A 67 -8.834 -9.909 -18.636 1.00 0.00 H new ATOM 0 HA LEU A 67 -7.221 -11.391 -20.452 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.960 -8.633 -19.160 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.874 -9.213 -20.408 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.909 -9.129 -20.749 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -8.493 -7.080 -22.099 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -7.980 -6.847 -20.411 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.766 -7.155 -21.676 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -8.364 -9.353 -23.157 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.631 -9.432 -22.760 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -7.726 -10.728 -22.224 1.00 0.00 H new ATOM 1093 N LEU A 68 -6.005 -10.823 -17.438 1.00 0.00 N ATOM 1094 CA LEU A 68 -4.938 -11.211 -16.520 1.00 0.00 C ATOM 1095 C LEU A 68 -4.907 -12.726 -16.358 1.00 0.00 C ATOM 1096 O LEU A 68 -5.951 -13.364 -16.217 1.00 0.00 O ATOM 1097 CB LEU A 68 -5.158 -10.551 -15.153 1.00 0.00 C ATOM 1098 CG LEU A 68 -3.890 -10.686 -14.281 1.00 0.00 C ATOM 1099 CD1 LEU A 68 -2.924 -9.526 -14.571 1.00 0.00 C ATOM 1100 CD2 LEU A 68 -4.273 -10.655 -12.796 1.00 0.00 C ATOM 0 H LEU A 68 -6.731 -10.237 -17.025 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.985 -10.878 -16.932 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.406 -9.498 -15.286 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.005 -11.016 -14.649 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.405 -11.633 -14.517 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.033 -9.631 -13.951 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.638 -9.545 -15.623 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.414 -8.579 -14.345 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.374 -10.751 -12.186 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.768 -9.711 -12.567 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.949 -11.481 -12.577 1.00 0.00 H new ATOM 1112 N GLU A 69 -3.706 -13.302 -16.386 1.00 0.00 N ATOM 1113 CA GLU A 69 -3.565 -14.750 -16.249 1.00 0.00 C ATOM 1114 C GLU A 69 -3.538 -15.145 -14.777 1.00 0.00 C ATOM 1115 O GLU A 69 -2.630 -14.761 -14.035 1.00 0.00 O ATOM 1116 CB GLU A 69 -2.274 -15.214 -16.926 1.00 0.00 C ATOM 1117 CG GLU A 69 -2.346 -14.922 -18.425 1.00 0.00 C ATOM 1118 CD GLU A 69 -1.039 -15.331 -19.095 1.00 0.00 C ATOM 1119 OE1 GLU A 69 -0.188 -15.871 -18.407 1.00 0.00 O ATOM 1120 OE2 GLU A 69 -0.906 -15.097 -20.284 1.00 0.00 O ATOM 0 H GLU A 69 -2.828 -12.796 -16.501 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.419 -15.228 -16.728 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.417 -14.703 -16.487 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.128 -16.281 -16.760 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.179 -15.465 -18.871 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.533 -13.861 -18.589 1.00 0.00 H new ATOM 1127 N VAL A 70 -4.543 -15.913 -14.354 1.00 0.00 N ATOM 1128 CA VAL A 70 -4.637 -16.354 -12.961 1.00 0.00 C ATOM 1129 C VAL A 70 -4.947 -17.847 -12.892 1.00 0.00 C ATOM 1130 O VAL A 70 -5.422 -18.435 -13.862 1.00 0.00 O ATOM 1131 CB VAL A 70 -5.744 -15.574 -12.242 1.00 0.00 C ATOM 1132 CG1 VAL A 70 -5.258 -14.160 -11.914 1.00 0.00 C ATOM 1133 CG2 VAL A 70 -6.976 -15.491 -13.148 1.00 0.00 C ATOM 0 H VAL A 70 -5.301 -16.242 -14.953 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.680 -16.167 -12.475 1.00 0.00 H new ATOM 0 HB VAL A 70 -6.001 -16.088 -11.316 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -6.050 -13.612 -11.403 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -4.382 -14.217 -11.268 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.996 -13.642 -12.837 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.765 -14.937 -12.639 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.713 -14.980 -14.074 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.328 -16.497 -13.376 1.00 0.00 H new ATOM 1143 N GLU A 71 -4.686 -18.453 -11.731 1.00 0.00 N ATOM 1144 CA GLU A 71 -4.956 -19.884 -11.545 1.00 0.00 C ATOM 1145 C GLU A 71 -5.399 -20.161 -10.113 1.00 0.00 C ATOM 1146 O GLU A 71 -4.928 -19.520 -9.176 1.00 0.00 O ATOM 1147 CB GLU A 71 -3.697 -20.704 -11.836 1.00 0.00 C ATOM 1148 CG GLU A 71 -4.068 -22.181 -11.984 1.00 0.00 C ATOM 1149 CD GLU A 71 -2.824 -22.994 -12.327 1.00 0.00 C ATOM 1150 OE1 GLU A 71 -1.827 -22.388 -12.687 1.00 0.00 O ATOM 1151 OE2 GLU A 71 -2.885 -24.208 -12.222 1.00 0.00 O ATOM 0 H GLU A 71 -4.293 -17.984 -10.915 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.750 -20.169 -12.235 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -3.220 -20.345 -12.748 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.975 -20.579 -11.029 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.510 -22.549 -11.058 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -4.819 -22.300 -12.765 1.00 0.00 H new ATOM 1158 N ALA A 72 -6.291 -21.130 -9.946 1.00 0.00 N ATOM 1159 CA ALA A 72 -6.761 -21.486 -8.615 1.00 0.00 C ATOM 1160 C ALA A 72 -5.665 -22.232 -7.861 1.00 0.00 C ATOM 1161 O ALA A 72 -5.010 -23.115 -8.417 1.00 0.00 O ATOM 1162 CB ALA A 72 -8.005 -22.368 -8.719 1.00 0.00 C ATOM 0 H ALA A 72 -6.698 -21.676 -10.705 1.00 0.00 H new ATOM 0 HA ALA A 72 -7.014 -20.574 -8.074 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.350 -22.630 -7.719 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -8.792 -21.827 -9.244 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.761 -23.277 -9.268 1.00 0.00 H new ATOM 1168 N VAL A 73 -5.466 -21.875 -6.595 1.00 0.00 N ATOM 1169 CA VAL A 73 -4.438 -22.519 -5.779 1.00 0.00 C ATOM 1170 C VAL A 73 -5.006 -23.757 -5.093 1.00 0.00 C ATOM 1171 O VAL A 73 -6.079 -23.708 -4.493 1.00 0.00 O ATOM 1172 CB VAL A 73 -3.928 -21.538 -4.721 1.00 0.00 C ATOM 1173 CG1 VAL A 73 -2.807 -22.192 -3.910 1.00 0.00 C ATOM 1174 CG2 VAL A 73 -3.395 -20.283 -5.410 1.00 0.00 C ATOM 0 H VAL A 73 -5.998 -21.149 -6.114 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.614 -22.819 -6.426 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.745 -21.268 -4.052 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -2.446 -21.491 -3.157 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.188 -23.087 -3.419 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.988 -22.464 -4.575 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.031 -19.582 -4.659 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.578 -20.554 -6.079 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.195 -19.816 -5.985 1.00 0.00 H new