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 Single : A 3 TYR OH : rot 180:sc= -0.353 USER MOD Single : A 4 THR OG1 : rot 135:sc= -0.682 USER MOD Single : A 7 THR OG1 : rot -101:sc= 0.993 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 99:sc= 0.804 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= -0.254 K(o=-0.25,f=-1) USER MOD Single : A 25 LYS NZ :NH3+ 173:sc= -2.02! (180deg=-2.31!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl 180:sc= -0.299 (180deg=-0.299) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 130:sc= -0.148 USER MOD Single : A 38 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 50 HIS : no HE2:sc= -2.19 X(o=-2.2,f=-2.5!) USER MOD Single : A 53 THR OG1 : rot -79:sc= 1.52 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 -16.000 -15.375 -10.254 1.00 0.00 N ATOM 38 CA TYR A 3 -15.536 -14.385 -9.284 1.00 0.00 C ATOM 39 C TYR A 3 -16.149 -14.675 -7.922 1.00 0.00 C ATOM 40 O TYR A 3 -17.345 -14.948 -7.821 1.00 0.00 O ATOM 41 CB TYR A 3 -15.951 -12.983 -9.735 1.00 0.00 C ATOM 42 CG TYR A 3 -15.403 -12.725 -11.115 1.00 0.00 C ATOM 43 CD1 TYR A 3 -16.115 -13.176 -12.231 1.00 0.00 C ATOM 44 CD2 TYR A 3 -14.192 -12.042 -11.286 1.00 0.00 C ATOM 45 CE1 TYR A 3 -15.622 -12.948 -13.518 1.00 0.00 C ATOM 46 CE2 TYR A 3 -13.699 -11.812 -12.575 1.00 0.00 C ATOM 47 CZ TYR A 3 -14.414 -12.265 -13.690 1.00 0.00 C ATOM 48 OH TYR A 3 -13.926 -12.041 -14.961 1.00 0.00 O ATOM 0 HA TYR A 3 -14.449 -14.438 -9.215 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -17.038 -12.896 -9.740 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -15.575 -12.236 -9.036 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -17.049 -13.702 -12.097 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -13.640 -11.694 -10.425 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -16.173 -13.299 -14.378 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -12.766 -11.285 -12.710 1.00 0.00 H new ATOM 0 HH TYR A 3 -13.078 -11.553 -14.905 1.00 0.00 H new ATOM 58 N THR A 4 -15.327 -14.622 -6.875 1.00 0.00 N ATOM 59 CA THR A 4 -15.807 -14.892 -5.514 1.00 0.00 C ATOM 60 C THR A 4 -15.364 -13.772 -4.566 1.00 0.00 C ATOM 61 O THR A 4 -14.332 -13.137 -4.785 1.00 0.00 O ATOM 62 CB THR A 4 -15.257 -16.247 -5.013 1.00 0.00 C ATOM 63 OG1 THR A 4 -14.227 -16.022 -4.061 1.00 0.00 O ATOM 64 CG2 THR A 4 -14.694 -17.052 -6.187 1.00 0.00 C ATOM 0 H THR A 4 -14.334 -14.397 -6.938 1.00 0.00 H new ATOM 0 HA THR A 4 -16.896 -14.935 -5.531 1.00 0.00 H new ATOM 0 HB THR A 4 -16.069 -16.808 -4.550 1.00 0.00 H new ATOM 0 HG1 THR A 4 -14.353 -16.621 -3.296 1.00 0.00 H new ATOM 0 HG21 THR A 4 -14.309 -18.005 -5.823 1.00 0.00 H new ATOM 0 HG22 THR A 4 -15.484 -17.234 -6.915 1.00 0.00 H new ATOM 0 HG23 THR A 4 -13.887 -16.491 -6.659 1.00 0.00 H new ATOM 72 N PRO A 5 -16.117 -13.521 -3.522 1.00 0.00 N ATOM 73 CA PRO A 5 -15.787 -12.456 -2.527 1.00 0.00 C ATOM 74 C PRO A 5 -14.523 -12.780 -1.731 1.00 0.00 C ATOM 75 O PRO A 5 -13.772 -11.880 -1.357 1.00 0.00 O ATOM 76 CB PRO A 5 -17.025 -12.418 -1.612 1.00 0.00 C ATOM 77 CG PRO A 5 -17.642 -13.774 -1.741 1.00 0.00 C ATOM 78 CD PRO A 5 -17.362 -14.225 -3.172 1.00 0.00 C ATOM 0 HA PRO A 5 -15.577 -11.499 -3.005 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -16.747 -12.208 -0.579 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -17.720 -11.637 -1.920 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -17.211 -14.469 -1.021 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -18.714 -13.736 -1.546 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -17.242 -15.307 -3.235 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -18.177 -13.955 -3.844 1.00 0.00 H new ATOM 86 N ASP A 6 -14.298 -14.068 -1.469 1.00 0.00 N ATOM 87 CA ASP A 6 -13.125 -14.498 -0.704 1.00 0.00 C ATOM 88 C ASP A 6 -12.477 -15.724 -1.340 1.00 0.00 C ATOM 89 O ASP A 6 -12.870 -16.858 -1.067 1.00 0.00 O ATOM 90 CB ASP A 6 -13.540 -14.832 0.728 1.00 0.00 C ATOM 91 CG ASP A 6 -13.918 -13.555 1.470 1.00 0.00 C ATOM 92 OD1 ASP A 6 -13.603 -12.488 0.971 1.00 0.00 O ATOM 93 OD2 ASP A 6 -14.521 -13.662 2.526 1.00 0.00 O ATOM 0 H ASP A 6 -14.907 -14.828 -1.772 1.00 0.00 H new ATOM 0 HA ASP A 6 -12.401 -13.683 -0.702 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -14.384 -15.522 0.720 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -12.723 -15.335 1.245 1.00 0.00 H new ATOM 98 N THR A 7 -11.469 -15.491 -2.177 1.00 0.00 N ATOM 99 CA THR A 7 -10.752 -16.582 -2.838 1.00 0.00 C ATOM 100 C THR A 7 -9.261 -16.279 -2.887 1.00 0.00 C ATOM 101 O THR A 7 -8.856 -15.123 -2.996 1.00 0.00 O ATOM 102 CB THR A 7 -11.282 -16.779 -4.261 1.00 0.00 C ATOM 103 OG1 THR A 7 -10.393 -17.617 -4.986 1.00 0.00 O ATOM 104 CG2 THR A 7 -11.400 -15.424 -4.959 1.00 0.00 C ATOM 0 H THR A 7 -11.130 -14.559 -2.414 1.00 0.00 H new ATOM 0 HA THR A 7 -10.913 -17.496 -2.267 1.00 0.00 H new ATOM 0 HB THR A 7 -12.266 -17.246 -4.220 1.00 0.00 H new ATOM 0 HG1 THR A 7 -9.825 -17.068 -5.566 1.00 0.00 H new ATOM 0 HG21 THR A 7 -11.777 -15.568 -5.971 1.00 0.00 H new ATOM 0 HG22 THR A 7 -12.087 -14.787 -4.403 1.00 0.00 H new ATOM 0 HG23 THR A 7 -10.419 -14.950 -5.001 1.00 0.00 H new ATOM 112 N ALA A 8 -8.448 -17.330 -2.827 1.00 0.00 N ATOM 113 CA ALA A 8 -6.993 -17.169 -2.883 1.00 0.00 C ATOM 114 C ALA A 8 -6.516 -17.376 -4.311 1.00 0.00 C ATOM 115 O ALA A 8 -6.427 -18.507 -4.788 1.00 0.00 O ATOM 116 CB ALA A 8 -6.319 -18.191 -1.966 1.00 0.00 C ATOM 0 H ALA A 8 -8.765 -18.295 -2.740 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.731 -16.164 -2.551 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.237 -18.065 -2.013 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.658 -18.039 -0.941 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -6.581 -19.198 -2.289 1.00 0.00 H new ATOM 122 N TRP A 9 -6.230 -16.274 -5.002 1.00 0.00 N ATOM 123 CA TRP A 9 -5.783 -16.339 -6.395 1.00 0.00 C ATOM 124 C TRP A 9 -4.268 -16.207 -6.469 1.00 0.00 C ATOM 125 O TRP A 9 -3.672 -15.377 -5.780 1.00 0.00 O ATOM 126 CB TRP A 9 -6.441 -15.212 -7.208 1.00 0.00 C ATOM 127 CG TRP A 9 -7.857 -15.572 -7.547 1.00 0.00 C ATOM 128 CD1 TRP A 9 -8.644 -16.413 -6.836 1.00 0.00 C ATOM 129 CD2 TRP A 9 -8.666 -15.117 -8.672 1.00 0.00 C ATOM 130 NE1 TRP A 9 -9.878 -16.499 -7.445 1.00 0.00 N ATOM 131 CE2 TRP A 9 -9.943 -15.721 -8.579 1.00 0.00 C ATOM 132 CE3 TRP A 9 -8.421 -14.250 -9.751 1.00 0.00 C ATOM 133 CZ2 TRP A 9 -10.940 -15.474 -9.518 1.00 0.00 C ATOM 134 CZ3 TRP A 9 -9.424 -13.998 -10.701 1.00 0.00 C ATOM 135 CH2 TRP A 9 -10.681 -14.609 -10.586 1.00 0.00 C ATOM 0 H TRP A 9 -6.299 -15.329 -4.624 1.00 0.00 H new ATOM 0 HA TRP A 9 -6.075 -17.303 -6.812 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -6.421 -14.284 -6.637 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -5.875 -15.036 -8.122 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -8.352 -16.933 -5.936 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -10.649 -17.070 -7.098 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -7.456 -13.775 -9.850 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -11.906 -15.947 -9.423 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -9.226 -13.329 -11.526 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -11.448 -14.412 -11.321 1.00 0.00 H new ATOM 146 N LYS A 10 -3.650 -17.028 -7.313 1.00 0.00 N ATOM 147 CA LYS A 10 -2.201 -16.993 -7.480 1.00 0.00 C ATOM 148 C LYS A 10 -1.836 -16.078 -8.641 1.00 0.00 C ATOM 149 O LYS A 10 -2.398 -16.196 -9.724 1.00 0.00 O ATOM 150 CB LYS A 10 -1.669 -18.408 -7.745 1.00 0.00 C ATOM 151 CG LYS A 10 -0.202 -18.502 -7.312 1.00 0.00 C ATOM 152 CD LYS A 10 0.287 -19.939 -7.467 1.00 0.00 C ATOM 153 CE LYS A 10 1.731 -20.029 -6.976 1.00 0.00 C ATOM 154 NZ LYS A 10 2.233 -21.419 -7.160 1.00 0.00 N ATOM 0 H LYS A 10 -4.127 -17.722 -7.889 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.748 -16.609 -6.566 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.266 -19.139 -7.199 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.761 -18.648 -8.804 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.410 -17.832 -7.916 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.097 -18.181 -6.276 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.348 -20.616 -6.896 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.224 -20.247 -8.511 1.00 0.00 H new ATOM 0 HE2 LYS A 10 2.358 -19.329 -7.528 1.00 0.00 H new ATOM 0 HE3 LYS A 10 1.787 -19.747 -5.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 3.216 -21.480 -6.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 1.640 -22.077 -6.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 2.194 -21.672 -8.168 1.00 0.00 H new ATOM 168 N ILE A 11 -0.901 -15.167 -8.404 1.00 0.00 N ATOM 169 CA ILE A 11 -0.484 -14.231 -9.441 1.00 0.00 C ATOM 170 C ILE A 11 0.552 -14.886 -10.345 1.00 0.00 C ATOM 171 O ILE A 11 1.650 -15.223 -9.901 1.00 0.00 O ATOM 172 CB ILE A 11 0.127 -12.981 -8.794 1.00 0.00 C ATOM 173 CG1 ILE A 11 -0.796 -12.466 -7.688 1.00 0.00 C ATOM 174 CG2 ILE A 11 0.280 -11.881 -9.852 1.00 0.00 C ATOM 175 CD1 ILE A 11 -0.080 -11.379 -6.884 1.00 0.00 C ATOM 0 H ILE A 11 -0.420 -15.056 -7.511 1.00 0.00 H new ATOM 0 HA ILE A 11 -1.354 -13.948 -10.033 1.00 0.00 H new ATOM 0 HB ILE A 11 1.100 -13.239 -8.375 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.712 -12.067 -8.122 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.086 -13.286 -7.031 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.714 -10.993 -9.393 1.00 0.00 H new ATOM 0 HG22 ILE A 11 0.933 -12.233 -10.651 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.698 -11.635 -10.265 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.740 -11.014 -6.097 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.824 -11.793 -6.437 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.187 -10.554 -7.545 1.00 0.00 H new ATOM 187 N THR A 12 0.203 -15.065 -11.620 1.00 0.00 N ATOM 188 CA THR A 12 1.120 -15.682 -12.579 1.00 0.00 C ATOM 189 C THR A 12 1.825 -14.612 -13.405 1.00 0.00 C ATOM 190 O THR A 12 3.033 -14.683 -13.631 1.00 0.00 O ATOM 191 CB THR A 12 0.344 -16.617 -13.506 1.00 0.00 C ATOM 192 OG1 THR A 12 -0.268 -17.644 -12.737 1.00 0.00 O ATOM 193 CG2 THR A 12 1.299 -17.240 -14.524 1.00 0.00 C ATOM 0 H THR A 12 -0.700 -14.794 -12.010 1.00 0.00 H new ATOM 0 HA THR A 12 1.869 -16.252 -12.030 1.00 0.00 H new ATOM 0 HB THR A 12 -0.424 -16.050 -14.033 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.767 -18.243 -13.330 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.743 -17.906 -15.184 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.766 -16.452 -15.114 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.069 -17.807 -14.001 1.00 0.00 H new ATOM 201 N GLY A 13 1.059 -13.620 -13.851 1.00 0.00 N ATOM 202 CA GLY A 13 1.613 -12.533 -14.652 1.00 0.00 C ATOM 203 C GLY A 13 0.536 -11.882 -15.507 1.00 0.00 C ATOM 204 O GLY A 13 -0.628 -12.276 -15.467 1.00 0.00 O ATOM 0 H GLY A 13 0.057 -13.547 -13.672 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.063 -11.787 -13.997 1.00 0.00 H new ATOM 0 HA3 GLY A 13 2.408 -12.916 -15.292 1.00 0.00 H new ATOM 208 N PHE A 14 0.934 -10.878 -16.283 1.00 0.00 N ATOM 209 CA PHE A 14 0.000 -10.166 -17.152 1.00 0.00 C ATOM 210 C PHE A 14 0.043 -10.741 -18.569 1.00 0.00 C ATOM 211 O PHE A 14 1.087 -11.195 -19.034 1.00 0.00 O ATOM 212 CB PHE A 14 0.359 -8.675 -17.186 1.00 0.00 C ATOM 213 CG PHE A 14 1.855 -8.511 -17.099 1.00 0.00 C ATOM 214 CD1 PHE A 14 2.486 -8.499 -15.850 1.00 0.00 C ATOM 215 CD2 PHE A 14 2.608 -8.363 -18.267 1.00 0.00 C ATOM 216 CE1 PHE A 14 3.872 -8.338 -15.769 1.00 0.00 C ATOM 217 CE2 PHE A 14 3.997 -8.201 -18.188 1.00 0.00 C ATOM 218 CZ PHE A 14 4.629 -8.188 -16.939 1.00 0.00 C ATOM 0 H PHE A 14 1.895 -10.539 -16.328 1.00 0.00 H new ATOM 0 HA PHE A 14 -1.008 -10.288 -16.756 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.013 -8.222 -18.105 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.122 -8.156 -16.357 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.902 -8.614 -14.949 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.119 -8.374 -19.230 1.00 0.00 H new ATOM 0 HE1 PHE A 14 4.359 -8.329 -14.805 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.580 -8.086 -19.090 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.700 -8.062 -16.877 1.00 0.00 H new ATOM 228 N SER A 15 -1.101 -10.708 -19.245 1.00 0.00 N ATOM 229 CA SER A 15 -1.192 -11.219 -20.610 1.00 0.00 C ATOM 230 C SER A 15 -0.619 -10.209 -21.598 1.00 0.00 C ATOM 231 O SER A 15 -0.279 -9.090 -21.226 1.00 0.00 O ATOM 232 CB SER A 15 -2.653 -11.514 -20.959 1.00 0.00 C ATOM 233 OG SER A 15 -3.019 -12.768 -20.399 1.00 0.00 O ATOM 0 H SER A 15 -1.974 -10.335 -18.873 1.00 0.00 H new ATOM 0 HA SER A 15 -0.612 -12.140 -20.676 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.299 -10.726 -20.572 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.785 -11.532 -22.041 1.00 0.00 H new ATOM 0 HG SER A 15 -3.505 -12.622 -19.560 1.00 0.00 H new ATOM 239 N ARG A 16 -0.511 -10.617 -22.858 1.00 0.00 N ATOM 240 CA ARG A 16 0.021 -9.739 -23.894 1.00 0.00 C ATOM 241 C ARG A 16 -0.961 -8.610 -24.198 1.00 0.00 C ATOM 242 O ARG A 16 -0.561 -7.462 -24.393 1.00 0.00 O ATOM 243 CB ARG A 16 0.285 -10.546 -25.167 1.00 0.00 C ATOM 244 CG ARG A 16 1.308 -11.658 -24.893 1.00 0.00 C ATOM 245 CD ARG A 16 2.730 -11.086 -24.859 1.00 0.00 C ATOM 246 NE ARG A 16 3.697 -12.173 -24.729 1.00 0.00 N ATOM 247 CZ ARG A 16 4.076 -12.629 -23.537 1.00 0.00 C ATOM 248 NH1 ARG A 16 3.562 -12.121 -22.448 1.00 0.00 N ATOM 249 NH2 ARG A 16 4.953 -13.591 -23.456 1.00 0.00 N ATOM 0 H ARG A 16 -0.783 -11.544 -23.185 1.00 0.00 H new ATOM 0 HA ARG A 16 0.954 -9.304 -23.536 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -0.646 -10.981 -25.529 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.656 -9.887 -25.952 1.00 0.00 H new ATOM 0 HG2 ARG A 16 1.082 -12.142 -23.943 1.00 0.00 H new ATOM 0 HG3 ARG A 16 1.237 -12.424 -25.665 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.926 -10.520 -25.769 1.00 0.00 H new ATOM 0 HD3 ARG A 16 2.833 -10.393 -24.024 1.00 0.00 H new ATOM 0 HE ARG A 16 4.091 -12.592 -25.571 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.870 -11.374 -22.511 1.00 0.00 H new ATOM 0 HH12 ARG A 16 3.853 -12.471 -21.535 1.00 0.00 H new ATOM 0 HH21 ARG A 16 5.348 -13.994 -24.306 1.00 0.00 H new ATOM 0 HH22 ARG A 16 5.244 -13.941 -22.543 1.00 0.00 H new ATOM 263 N GLU A 17 -2.246 -8.944 -24.235 1.00 0.00 N ATOM 264 CA GLU A 17 -3.279 -7.955 -24.511 1.00 0.00 C ATOM 265 C GLU A 17 -3.350 -6.929 -23.393 1.00 0.00 C ATOM 266 O GLU A 17 -3.957 -5.868 -23.546 1.00 0.00 O ATOM 267 CB GLU A 17 -4.634 -8.642 -24.655 1.00 0.00 C ATOM 268 CG GLU A 17 -4.684 -9.407 -25.979 1.00 0.00 C ATOM 269 CD GLU A 17 -6.013 -10.144 -26.111 1.00 0.00 C ATOM 270 OE1 GLU A 17 -6.835 -10.006 -25.222 1.00 0.00 O ATOM 271 OE2 GLU A 17 -6.190 -10.831 -27.102 1.00 0.00 O ATOM 0 H GLU A 17 -2.596 -9.889 -24.078 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.027 -7.447 -25.442 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.797 -9.326 -23.822 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.434 -7.902 -24.621 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.559 -8.715 -26.812 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.859 -10.118 -26.028 1.00 0.00 H new ATOM 278 N ILE A 18 -2.735 -7.253 -22.261 1.00 0.00 N ATOM 279 CA ILE A 18 -2.744 -6.355 -21.113 1.00 0.00 C ATOM 280 C ILE A 18 -2.535 -4.912 -21.558 1.00 0.00 C ATOM 281 O ILE A 18 -1.851 -4.655 -22.550 1.00 0.00 O ATOM 282 CB ILE A 18 -1.637 -6.749 -20.133 1.00 0.00 C ATOM 283 CG1 ILE A 18 -1.769 -5.931 -18.841 1.00 0.00 C ATOM 284 CG2 ILE A 18 -0.271 -6.469 -20.770 1.00 0.00 C ATOM 285 CD1 ILE A 18 -3.087 -6.261 -18.123 1.00 0.00 C ATOM 0 H ILE A 18 -2.227 -8.125 -22.114 1.00 0.00 H new ATOM 0 HA ILE A 18 -3.714 -6.437 -20.622 1.00 0.00 H new ATOM 0 HB ILE A 18 -1.726 -7.810 -19.899 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -0.927 -6.143 -18.182 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -1.732 -4.867 -19.073 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.519 -6.749 -20.074 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.171 -7.051 -21.686 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.189 -5.408 -21.004 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.161 -5.671 -17.210 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -3.927 -6.025 -18.777 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -3.109 -7.322 -17.872 1.00 0.00 H new ATOM 297 N SER A 19 -3.129 -3.974 -20.826 1.00 0.00 N ATOM 298 CA SER A 19 -2.997 -2.565 -21.170 1.00 0.00 C ATOM 299 C SER A 19 -1.686 -1.989 -20.610 1.00 0.00 C ATOM 300 O SER A 19 -1.265 -2.371 -19.517 1.00 0.00 O ATOM 301 CB SER A 19 -4.177 -1.776 -20.606 1.00 0.00 C ATOM 302 OG SER A 19 -4.112 -1.776 -19.188 1.00 0.00 O ATOM 0 H SER A 19 -3.699 -4.162 -20.001 1.00 0.00 H new ATOM 0 HA SER A 19 -2.985 -2.480 -22.257 1.00 0.00 H new ATOM 0 HB2 SER A 19 -4.157 -0.753 -20.982 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.116 -2.219 -20.938 1.00 0.00 H new ATOM 0 HG SER A 19 -4.868 -1.268 -18.826 1.00 0.00 H new ATOM 308 N PRO A 20 -1.039 -1.072 -21.309 1.00 0.00 N ATOM 309 CA PRO A 20 0.229 -0.449 -20.819 1.00 0.00 C ATOM 310 C PRO A 20 0.115 0.072 -19.383 1.00 0.00 C ATOM 311 O PRO A 20 1.072 0.001 -18.613 1.00 0.00 O ATOM 312 CB PRO A 20 0.460 0.724 -21.790 1.00 0.00 C ATOM 313 CG PRO A 20 -0.246 0.345 -23.050 1.00 0.00 C ATOM 314 CD PRO A 20 -1.422 -0.547 -22.640 1.00 0.00 C ATOM 0 HA PRO A 20 1.044 -1.172 -20.797 1.00 0.00 H new ATOM 0 HB2 PRO A 20 0.064 1.654 -21.383 1.00 0.00 H new ATOM 0 HB3 PRO A 20 1.524 0.882 -21.969 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -0.597 1.231 -23.579 1.00 0.00 H new ATOM 0 HG3 PRO A 20 0.425 -0.185 -23.726 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -2.352 0.019 -22.591 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -1.577 -1.354 -23.356 1.00 0.00 H new ATOM 322 N ALA A 21 -1.045 0.618 -19.041 1.00 0.00 N ATOM 323 CA ALA A 21 -1.252 1.170 -17.707 1.00 0.00 C ATOM 324 C ALA A 21 -0.953 0.135 -16.622 1.00 0.00 C ATOM 325 O ALA A 21 -0.096 0.350 -15.760 1.00 0.00 O ATOM 326 CB ALA A 21 -2.702 1.642 -17.567 1.00 0.00 C ATOM 0 H ALA A 21 -1.851 0.691 -19.662 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.568 2.009 -17.579 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.856 2.054 -16.570 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.908 2.410 -18.313 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.375 0.798 -17.719 1.00 0.00 H new ATOM 332 N TYR A 22 -1.662 -0.984 -16.666 1.00 0.00 N ATOM 333 CA TYR A 22 -1.465 -2.035 -15.679 1.00 0.00 C ATOM 334 C TYR A 22 -0.061 -2.621 -15.789 1.00 0.00 C ATOM 335 O TYR A 22 0.642 -2.790 -14.790 1.00 0.00 O ATOM 336 CB TYR A 22 -2.510 -3.134 -15.879 1.00 0.00 C ATOM 337 CG TYR A 22 -2.324 -4.210 -14.836 1.00 0.00 C ATOM 338 CD1 TYR A 22 -1.479 -5.293 -15.093 1.00 0.00 C ATOM 339 CD2 TYR A 22 -3.002 -4.127 -13.612 1.00 0.00 C ATOM 340 CE1 TYR A 22 -1.309 -6.293 -14.132 1.00 0.00 C ATOM 341 CE2 TYR A 22 -2.833 -5.129 -12.649 1.00 0.00 C ATOM 342 CZ TYR A 22 -1.987 -6.212 -12.911 1.00 0.00 C ATOM 343 OH TYR A 22 -1.817 -7.200 -11.962 1.00 0.00 O ATOM 0 H TYR A 22 -2.373 -1.186 -17.369 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.580 -1.605 -14.684 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -3.513 -2.713 -15.806 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.416 -3.562 -16.877 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.956 -5.357 -16.036 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.655 -3.290 -13.412 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.654 -7.128 -14.332 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -3.355 -5.066 -11.706 1.00 0.00 H new ATOM 0 HH TYR A 22 -2.358 -6.991 -11.172 1.00 0.00 H new ATOM 353 N ARG A 23 0.347 -2.929 -17.011 1.00 0.00 N ATOM 354 CA ARG A 23 1.665 -3.504 -17.233 1.00 0.00 C ATOM 355 C ARG A 23 2.747 -2.579 -16.685 1.00 0.00 C ATOM 356 O ARG A 23 3.647 -3.010 -15.955 1.00 0.00 O ATOM 357 CB ARG A 23 1.882 -3.708 -18.732 1.00 0.00 C ATOM 358 CG ARG A 23 3.099 -4.607 -18.959 1.00 0.00 C ATOM 359 CD ARG A 23 3.317 -4.810 -20.461 1.00 0.00 C ATOM 360 NE ARG A 23 3.707 -3.554 -21.093 1.00 0.00 N ATOM 361 CZ ARG A 23 3.870 -3.465 -22.411 1.00 0.00 C ATOM 362 NH1 ARG A 23 3.675 -4.511 -23.166 1.00 0.00 N ATOM 363 NH2 ARG A 23 4.225 -2.330 -22.949 1.00 0.00 N ATOM 0 H ARG A 23 -0.208 -2.792 -17.856 1.00 0.00 H new ATOM 0 HA ARG A 23 1.725 -4.462 -16.716 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.996 -4.159 -19.179 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.032 -2.746 -19.222 1.00 0.00 H new ATOM 0 HG2 ARG A 23 3.985 -4.157 -18.511 1.00 0.00 H new ATOM 0 HG3 ARG A 23 2.949 -5.570 -18.470 1.00 0.00 H new ATOM 0 HD2 ARG A 23 4.089 -5.562 -20.624 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.403 -5.187 -20.920 1.00 0.00 H new ATOM 0 HE ARG A 23 3.858 -2.728 -20.514 1.00 0.00 H new ATOM 0 HH11 ARG A 23 3.397 -5.398 -22.746 1.00 0.00 H new ATOM 0 HH12 ARG A 23 3.800 -4.442 -24.176 1.00 0.00 H new ATOM 0 HH21 ARG A 23 4.377 -1.512 -22.359 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.350 -2.261 -23.959 1.00 0.00 H new ATOM 377 N GLN A 24 2.641 -1.298 -17.016 1.00 0.00 N ATOM 378 CA GLN A 24 3.609 -0.325 -16.539 1.00 0.00 C ATOM 379 C GLN A 24 3.593 -0.302 -15.018 1.00 0.00 C ATOM 380 O GLN A 24 4.620 -0.073 -14.379 1.00 0.00 O ATOM 381 CB GLN A 24 3.279 1.063 -17.086 1.00 0.00 C ATOM 382 CG GLN A 24 4.411 2.035 -16.743 1.00 0.00 C ATOM 383 CD GLN A 24 5.671 1.665 -17.519 1.00 0.00 C ATOM 384 OE1 GLN A 24 5.593 1.295 -18.690 1.00 0.00 O ATOM 385 NE2 GLN A 24 6.834 1.745 -16.933 1.00 0.00 N ATOM 0 H GLN A 24 1.903 -0.914 -17.606 1.00 0.00 H new ATOM 0 HA GLN A 24 4.602 -0.607 -16.888 1.00 0.00 H new ATOM 0 HB2 GLN A 24 3.142 1.016 -18.166 1.00 0.00 H new ATOM 0 HB3 GLN A 24 2.340 1.418 -16.661 1.00 0.00 H new ATOM 0 HG2 GLN A 24 4.111 3.055 -16.985 1.00 0.00 H new ATOM 0 HG3 GLN A 24 4.613 2.008 -15.672 1.00 0.00 H new ATOM 0 HE21 GLN A 24 6.896 2.052 -15.962 1.00 0.00 H new ATOM 0 HE22 GLN A 24 7.681 1.501 -17.446 1.00 0.00 H new ATOM 394 N LYS A 25 2.421 -0.552 -14.441 1.00 0.00 N ATOM 395 CA LYS A 25 2.295 -0.572 -12.990 1.00 0.00 C ATOM 396 C LYS A 25 3.195 -1.655 -12.406 1.00 0.00 C ATOM 397 O LYS A 25 3.894 -1.426 -11.419 1.00 0.00 O ATOM 398 CB LYS A 25 0.839 -0.840 -12.594 1.00 0.00 C ATOM 399 CG LYS A 25 0.595 -0.370 -11.155 1.00 0.00 C ATOM 400 CD LYS A 25 -0.889 -0.514 -10.795 1.00 0.00 C ATOM 401 CE LYS A 25 -1.714 0.601 -11.453 1.00 0.00 C ATOM 402 NZ LYS A 25 -3.060 0.652 -10.819 1.00 0.00 N ATOM 0 H LYS A 25 1.557 -0.741 -14.949 1.00 0.00 H new ATOM 0 HA LYS A 25 2.599 0.398 -12.595 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.166 -0.319 -13.275 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.619 -1.904 -12.681 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.202 -0.956 -10.465 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.904 0.670 -11.047 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.256 -1.487 -11.122 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.012 -0.475 -9.713 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.208 1.560 -11.339 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.809 0.416 -12.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.581 1.478 -11.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.586 -0.215 -11.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.955 0.728 -9.787 1.00 0.00 H new ATOM 416 N LEU A 26 3.183 -2.835 -13.026 1.00 0.00 N ATOM 417 CA LEU A 26 4.020 -3.934 -12.545 1.00 0.00 C ATOM 418 C LEU A 26 5.495 -3.557 -12.636 1.00 0.00 C ATOM 419 O LEU A 26 6.267 -3.820 -11.716 1.00 0.00 O ATOM 420 CB LEU A 26 3.759 -5.214 -13.366 1.00 0.00 C ATOM 421 CG LEU A 26 2.592 -6.017 -12.769 1.00 0.00 C ATOM 422 CD1 LEU A 26 2.943 -6.512 -11.346 1.00 0.00 C ATOM 423 CD2 LEU A 26 1.338 -5.142 -12.726 1.00 0.00 C ATOM 0 H LEU A 26 2.616 -3.052 -13.845 1.00 0.00 H new ATOM 0 HA LEU A 26 3.764 -4.125 -11.503 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.533 -4.949 -14.399 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.658 -5.830 -13.384 1.00 0.00 H new ATOM 0 HG LEU A 26 2.405 -6.887 -13.398 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.104 -7.078 -10.941 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.825 -7.151 -11.390 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.147 -5.656 -10.703 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.511 -5.712 -12.303 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.528 -4.264 -12.108 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.080 -4.825 -13.737 1.00 0.00 H new ATOM 435 N LEU A 27 5.880 -2.939 -13.743 1.00 0.00 N ATOM 436 CA LEU A 27 7.274 -2.535 -13.918 1.00 0.00 C ATOM 437 C LEU A 27 7.675 -1.503 -12.864 1.00 0.00 C ATOM 438 O LEU A 27 8.790 -1.539 -12.342 1.00 0.00 O ATOM 439 CB LEU A 27 7.481 -1.957 -15.328 1.00 0.00 C ATOM 440 CG LEU A 27 7.815 -3.076 -16.320 1.00 0.00 C ATOM 441 CD1 LEU A 27 6.666 -4.083 -16.384 1.00 0.00 C ATOM 442 CD2 LEU A 27 8.033 -2.464 -17.703 1.00 0.00 C ATOM 0 H LEU A 27 5.263 -2.708 -14.522 1.00 0.00 H new ATOM 0 HA LEU A 27 7.906 -3.415 -13.796 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.580 -1.434 -15.650 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.287 -1.223 -15.313 1.00 0.00 H new ATOM 0 HG LEU A 27 8.718 -3.592 -15.993 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.914 -4.874 -17.092 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.507 -4.517 -15.397 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.757 -3.577 -16.709 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.271 -3.253 -18.416 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.126 -1.950 -18.020 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.857 -1.752 -17.660 1.00 0.00 H new ATOM 454 N SER A 28 6.771 -0.579 -12.567 1.00 0.00 N ATOM 455 CA SER A 28 7.057 0.465 -11.587 1.00 0.00 C ATOM 456 C SER A 28 7.355 -0.137 -10.216 1.00 0.00 C ATOM 457 O SER A 28 8.309 0.261 -9.547 1.00 0.00 O ATOM 458 CB SER A 28 5.868 1.416 -11.481 1.00 0.00 C ATOM 459 OG SER A 28 5.999 2.204 -10.305 1.00 0.00 O ATOM 0 H SER A 28 5.842 -0.529 -12.985 1.00 0.00 H new ATOM 0 HA SER A 28 7.937 1.014 -11.922 1.00 0.00 H new ATOM 0 HB2 SER A 28 5.823 2.059 -12.360 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.937 0.850 -11.451 1.00 0.00 H new ATOM 0 HG SER A 28 5.237 2.817 -10.235 1.00 0.00 H new ATOM 465 N LEU A 29 6.535 -1.098 -9.807 1.00 0.00 N ATOM 466 CA LEU A 29 6.709 -1.760 -8.514 1.00 0.00 C ATOM 467 C LEU A 29 7.558 -3.019 -8.668 1.00 0.00 C ATOM 468 O LEU A 29 7.341 -3.819 -9.577 1.00 0.00 O ATOM 469 CB LEU A 29 5.335 -2.127 -7.933 1.00 0.00 C ATOM 470 CG LEU A 29 4.544 -3.010 -8.944 1.00 0.00 C ATOM 471 CD1 LEU A 29 4.615 -4.487 -8.535 1.00 0.00 C ATOM 472 CD2 LEU A 29 3.073 -2.574 -8.988 1.00 0.00 C ATOM 0 H LEU A 29 5.742 -1.438 -10.350 1.00 0.00 H new ATOM 0 HA LEU A 29 7.220 -1.077 -7.836 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.461 -2.662 -6.992 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.771 -1.221 -7.711 1.00 0.00 H new ATOM 0 HG LEU A 29 4.993 -2.886 -9.929 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.057 -5.090 -9.252 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.656 -4.811 -8.520 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.182 -4.611 -7.542 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.530 -3.198 -9.698 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.632 -2.683 -7.997 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.012 -1.531 -9.300 1.00 0.00 H new ATOM 484 N GLY A 30 8.525 -3.181 -7.773 1.00 0.00 N ATOM 485 CA GLY A 30 9.409 -4.341 -7.816 1.00 0.00 C ATOM 486 C GLY A 30 8.707 -5.586 -7.277 1.00 0.00 C ATOM 487 O GLY A 30 9.277 -6.677 -7.269 1.00 0.00 O ATOM 0 H GLY A 30 8.717 -2.529 -7.013 1.00 0.00 H new ATOM 0 HA2 GLY A 30 9.733 -4.518 -8.842 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.305 -4.142 -7.228 1.00 0.00 H new ATOM 491 N MET A 31 7.462 -5.414 -6.838 1.00 0.00 N ATOM 492 CA MET A 31 6.676 -6.527 -6.309 1.00 0.00 C ATOM 493 C MET A 31 5.964 -7.241 -7.445 1.00 0.00 C ATOM 494 O MET A 31 4.757 -7.088 -7.632 1.00 0.00 O ATOM 495 CB MET A 31 5.638 -6.007 -5.316 1.00 0.00 C ATOM 496 CG MET A 31 6.341 -5.477 -4.067 1.00 0.00 C ATOM 497 SD MET A 31 5.106 -4.828 -2.917 1.00 0.00 S ATOM 498 CE MET A 31 6.264 -4.048 -1.767 1.00 0.00 C ATOM 0 H MET A 31 6.976 -4.517 -6.838 1.00 0.00 H new ATOM 0 HA MET A 31 7.347 -7.222 -5.804 1.00 0.00 H new ATOM 0 HB2 MET A 31 5.046 -5.216 -5.775 1.00 0.00 H new ATOM 0 HB3 MET A 31 4.947 -6.806 -5.045 1.00 0.00 H new ATOM 0 HG2 MET A 31 6.914 -6.274 -3.592 1.00 0.00 H new ATOM 0 HG3 MET A 31 7.049 -4.694 -4.339 1.00 0.00 H new ATOM 0 HE1 MET A 31 5.709 -3.574 -0.957 1.00 0.00 H new ATOM 0 HE2 MET A 31 6.932 -4.804 -1.355 1.00 0.00 H new ATOM 0 HE3 MET A 31 6.850 -3.295 -2.295 1.00 0.00 H new ATOM 508 N LEU A 32 6.724 -8.006 -8.213 1.00 0.00 N ATOM 509 CA LEU A 32 6.171 -8.731 -9.349 1.00 0.00 C ATOM 510 C LEU A 32 5.523 -10.038 -8.882 1.00 0.00 C ATOM 511 O LEU A 32 5.696 -10.443 -7.733 1.00 0.00 O ATOM 512 CB LEU A 32 7.316 -8.997 -10.364 1.00 0.00 C ATOM 513 CG LEU A 32 7.140 -8.126 -11.632 1.00 0.00 C ATOM 514 CD1 LEU A 32 7.678 -6.720 -11.362 1.00 0.00 C ATOM 515 CD2 LEU A 32 7.902 -8.745 -12.804 1.00 0.00 C ATOM 0 H LEU A 32 7.725 -8.142 -8.071 1.00 0.00 H new ATOM 0 HA LEU A 32 5.393 -8.140 -9.833 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.278 -8.780 -9.899 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.326 -10.051 -10.640 1.00 0.00 H new ATOM 0 HG LEU A 32 6.081 -8.073 -11.884 1.00 0.00 H new ATOM 0 HD11 LEU A 32 7.555 -6.106 -12.254 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.128 -6.273 -10.534 1.00 0.00 H new ATOM 0 HD13 LEU A 32 8.736 -6.778 -11.105 1.00 0.00 H new ATOM 0 HD21 LEU A 32 7.772 -8.125 -13.691 1.00 0.00 H new ATOM 0 HD22 LEU A 32 8.962 -8.807 -12.557 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.516 -9.745 -13.001 1.00 0.00 H new ATOM 527 N PRO A 33 4.779 -10.697 -9.743 1.00 0.00 N ATOM 528 CA PRO A 33 4.099 -11.975 -9.397 1.00 0.00 C ATOM 529 C PRO A 33 5.002 -12.916 -8.612 1.00 0.00 C ATOM 530 O PRO A 33 6.173 -12.622 -8.375 1.00 0.00 O ATOM 531 CB PRO A 33 3.744 -12.579 -10.757 1.00 0.00 C ATOM 532 CG PRO A 33 3.601 -11.414 -11.680 1.00 0.00 C ATOM 533 CD PRO A 33 4.497 -10.294 -11.135 1.00 0.00 C ATOM 0 HA PRO A 33 3.233 -11.812 -8.756 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.523 -13.260 -11.100 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.819 -13.154 -10.703 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.898 -11.686 -12.693 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.562 -11.087 -11.729 1.00 0.00 H new ATOM 0 HD2 PRO A 33 5.415 -10.201 -11.716 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.995 -9.328 -11.175 1.00 0.00 H new ATOM 541 N GLY A 34 4.447 -14.058 -8.223 1.00 0.00 N ATOM 542 CA GLY A 34 5.198 -15.056 -7.470 1.00 0.00 C ATOM 543 C GLY A 34 4.553 -15.301 -6.111 1.00 0.00 C ATOM 544 O GLY A 34 5.139 -15.941 -5.238 1.00 0.00 O ATOM 0 H GLY A 34 3.479 -14.316 -8.417 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.239 -15.989 -8.032 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.226 -14.720 -7.335 1.00 0.00 H new ATOM 548 N SER A 35 3.334 -14.787 -5.941 1.00 0.00 N ATOM 549 CA SER A 35 2.598 -14.953 -4.688 1.00 0.00 C ATOM 550 C SER A 35 1.102 -15.058 -4.963 1.00 0.00 C ATOM 551 O SER A 35 0.685 -15.337 -6.087 1.00 0.00 O ATOM 552 CB SER A 35 2.862 -13.769 -3.760 1.00 0.00 C ATOM 553 OG SER A 35 2.348 -12.583 -4.352 1.00 0.00 O ATOM 0 H SER A 35 2.837 -14.253 -6.654 1.00 0.00 H new ATOM 0 HA SER A 35 2.939 -15.870 -4.208 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.391 -13.939 -2.792 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.932 -13.665 -3.580 1.00 0.00 H new ATOM 0 HG SER A 35 2.515 -11.822 -3.758 1.00 0.00 H new ATOM 559 N SER A 36 0.298 -14.839 -3.925 1.00 0.00 N ATOM 560 CA SER A 36 -1.159 -14.914 -4.052 1.00 0.00 C ATOM 561 C SER A 36 -1.820 -13.739 -3.346 1.00 0.00 C ATOM 562 O SER A 36 -1.230 -13.121 -2.461 1.00 0.00 O ATOM 563 CB SER A 36 -1.668 -16.223 -3.452 1.00 0.00 C ATOM 564 OG SER A 36 -1.181 -17.313 -4.224 1.00 0.00 O ATOM 0 H SER A 36 0.628 -14.609 -2.988 1.00 0.00 H new ATOM 0 HA SER A 36 -1.414 -14.876 -5.111 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.335 -16.317 -2.418 1.00 0.00 H new ATOM 0 HB3 SER A 36 -2.758 -16.231 -3.438 1.00 0.00 H new ATOM 0 HG SER A 36 -0.774 -17.978 -3.631 1.00 0.00 H new ATOM 570 N PHE A 37 -3.054 -13.437 -3.746 1.00 0.00 N ATOM 571 CA PHE A 37 -3.803 -12.332 -3.148 1.00 0.00 C ATOM 572 C PHE A 37 -5.244 -12.755 -2.887 1.00 0.00 C ATOM 573 O PHE A 37 -5.761 -13.672 -3.530 1.00 0.00 O ATOM 574 CB PHE A 37 -3.780 -11.117 -4.082 1.00 0.00 C ATOM 575 CG PHE A 37 -4.648 -11.379 -5.294 1.00 0.00 C ATOM 576 CD1 PHE A 37 -4.126 -12.044 -6.410 1.00 0.00 C ATOM 577 CD2 PHE A 37 -5.980 -10.953 -5.295 1.00 0.00 C ATOM 578 CE1 PHE A 37 -4.937 -12.283 -7.525 1.00 0.00 C ATOM 579 CE2 PHE A 37 -6.791 -11.191 -6.409 1.00 0.00 C ATOM 580 CZ PHE A 37 -6.270 -11.857 -7.524 1.00 0.00 C ATOM 0 H PHE A 37 -3.555 -13.939 -4.479 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.335 -12.063 -2.201 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -4.138 -10.234 -3.552 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.757 -10.908 -4.395 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.097 -12.373 -6.410 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -6.383 -10.440 -4.434 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -4.534 -12.796 -8.386 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -7.819 -10.861 -6.409 1.00 0.00 H new ATOM 0 HZ PHE A 37 -6.897 -12.042 -8.384 1.00 0.00 H new ATOM 590 N ASN A 38 -5.888 -12.080 -1.936 1.00 0.00 N ATOM 591 CA ASN A 38 -7.274 -12.381 -1.582 1.00 0.00 C ATOM 592 C ASN A 38 -8.194 -11.248 -2.019 1.00 0.00 C ATOM 593 O ASN A 38 -7.811 -10.071 -2.003 1.00 0.00 O ATOM 594 CB ASN A 38 -7.393 -12.581 -0.071 1.00 0.00 C ATOM 595 CG ASN A 38 -6.592 -13.808 0.353 1.00 0.00 C ATOM 596 OD1 ASN A 38 -6.690 -14.861 -0.277 1.00 0.00 O ATOM 597 ND2 ASN A 38 -5.800 -13.733 1.386 1.00 0.00 N ATOM 0 H ASN A 38 -5.472 -11.321 -1.397 1.00 0.00 H new ATOM 0 HA ASN A 38 -7.572 -13.296 -2.095 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -7.026 -11.698 0.452 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -8.440 -12.705 0.207 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -5.259 -14.548 1.674 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -5.721 -12.859 1.906 1.00 0.00 H new ATOM 604 N VAL A 39 -9.414 -11.607 -2.409 1.00 0.00 N ATOM 605 CA VAL A 39 -10.385 -10.614 -2.847 1.00 0.00 C ATOM 606 C VAL A 39 -11.153 -10.057 -1.655 1.00 0.00 C ATOM 607 O VAL A 39 -11.729 -10.808 -0.869 1.00 0.00 O ATOM 608 CB VAL A 39 -11.369 -11.246 -3.834 1.00 0.00 C ATOM 609 CG1 VAL A 39 -12.258 -10.161 -4.446 1.00 0.00 C ATOM 610 CG2 VAL A 39 -10.592 -11.952 -4.945 1.00 0.00 C ATOM 0 H VAL A 39 -9.750 -12.570 -2.430 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.849 -9.800 -3.336 1.00 0.00 H new ATOM 0 HB VAL A 39 -11.993 -11.968 -3.307 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -12.957 -10.616 -5.148 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -12.814 -9.658 -3.655 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -11.637 -9.435 -4.971 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -11.292 -12.403 -5.649 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -9.967 -11.228 -5.468 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -9.962 -12.729 -4.512 1.00 0.00 H new ATOM 620 N VAL A 40 -11.158 -8.737 -1.528 1.00 0.00 N ATOM 621 CA VAL A 40 -11.863 -8.088 -0.430 1.00 0.00 C ATOM 622 C VAL A 40 -13.376 -8.255 -0.577 1.00 0.00 C ATOM 623 O VAL A 40 -14.079 -8.491 0.405 1.00 0.00 O ATOM 624 CB VAL A 40 -11.482 -6.597 -0.372 1.00 0.00 C ATOM 625 CG1 VAL A 40 -11.553 -5.973 -1.772 1.00 0.00 C ATOM 626 CG2 VAL A 40 -12.437 -5.854 0.573 1.00 0.00 C ATOM 0 H VAL A 40 -10.685 -8.098 -2.167 1.00 0.00 H new ATOM 0 HA VAL A 40 -11.566 -8.564 0.504 1.00 0.00 H new ATOM 0 HB VAL A 40 -10.461 -6.511 0.001 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -11.281 -4.919 -1.715 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -10.861 -6.491 -2.437 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -12.567 -6.065 -2.161 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -12.164 -4.799 0.611 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -13.459 -5.951 0.207 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -12.367 -6.283 1.572 1.00 0.00 H new ATOM 636 N ARG A 41 -13.863 -8.118 -1.805 1.00 0.00 N ATOM 637 CA ARG A 41 -15.289 -8.238 -2.074 1.00 0.00 C ATOM 638 C ARG A 41 -15.546 -8.166 -3.572 1.00 0.00 C ATOM 639 O ARG A 41 -14.714 -7.664 -4.327 1.00 0.00 O ATOM 640 CB ARG A 41 -16.046 -7.100 -1.375 1.00 0.00 C ATOM 641 CG ARG A 41 -15.642 -5.753 -1.988 1.00 0.00 C ATOM 642 CD ARG A 41 -16.309 -4.619 -1.208 1.00 0.00 C ATOM 643 NE ARG A 41 -15.799 -4.577 0.158 1.00 0.00 N ATOM 644 CZ ARG A 41 -16.262 -3.694 1.036 1.00 0.00 C ATOM 645 NH1 ARG A 41 -17.177 -2.836 0.679 1.00 0.00 N ATOM 646 NH2 ARG A 41 -15.798 -3.684 2.256 1.00 0.00 N ATOM 0 H ARG A 41 -13.292 -7.924 -2.628 1.00 0.00 H new ATOM 0 HA ARG A 41 -15.639 -9.198 -1.694 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -17.121 -7.249 -1.478 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -15.824 -7.105 -0.308 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -14.558 -5.639 -1.961 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -15.941 -5.713 -3.035 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -16.120 -3.667 -1.704 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -17.389 -4.763 -1.196 1.00 0.00 H new ATOM 0 HE ARG A 41 -15.075 -5.236 0.444 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -17.538 -2.843 -0.275 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -17.532 -2.158 1.354 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -15.081 -4.354 2.534 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -16.153 -3.007 2.931 1.00 0.00 H new ATOM 660 N VAL A 42 -16.709 -8.649 -3.999 1.00 0.00 N ATOM 661 CA VAL A 42 -17.076 -8.610 -5.413 1.00 0.00 C ATOM 662 C VAL A 42 -18.504 -8.094 -5.555 1.00 0.00 C ATOM 663 O VAL A 42 -19.443 -8.711 -5.050 1.00 0.00 O ATOM 664 CB VAL A 42 -16.962 -10.011 -6.013 1.00 0.00 C ATOM 665 CG1 VAL A 42 -17.549 -10.023 -7.428 1.00 0.00 C ATOM 666 CG2 VAL A 42 -15.487 -10.410 -6.067 1.00 0.00 C ATOM 0 H VAL A 42 -17.411 -9.070 -3.391 1.00 0.00 H new ATOM 0 HA VAL A 42 -16.401 -7.941 -5.946 1.00 0.00 H new ATOM 0 HB VAL A 42 -17.515 -10.718 -5.395 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -17.464 -11.025 -7.849 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -18.599 -9.734 -7.389 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -17.002 -9.319 -8.055 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -15.396 -11.409 -6.494 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -14.940 -9.699 -6.687 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -15.072 -10.407 -5.059 1.00 0.00 H new ATOM 676 N ALA A 43 -18.669 -6.960 -6.237 1.00 0.00 N ATOM 677 CA ALA A 43 -20.000 -6.384 -6.426 1.00 0.00 C ATOM 678 C ALA A 43 -20.603 -6.847 -7.770 1.00 0.00 C ATOM 679 O ALA A 43 -20.125 -6.431 -8.827 1.00 0.00 O ATOM 680 CB ALA A 43 -19.897 -4.853 -6.406 1.00 0.00 C ATOM 0 H ALA A 43 -17.909 -6.429 -6.662 1.00 0.00 H new ATOM 0 HA ALA A 43 -20.650 -6.721 -5.619 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -20.887 -4.420 -6.547 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -19.492 -4.528 -5.448 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -19.239 -4.522 -7.209 1.00 0.00 H new ATOM 686 N PRO A 44 -21.629 -7.684 -7.766 1.00 0.00 N ATOM 687 CA PRO A 44 -22.269 -8.168 -9.026 1.00 0.00 C ATOM 688 C PRO A 44 -23.171 -7.110 -9.661 1.00 0.00 C ATOM 689 O PRO A 44 -23.630 -7.269 -10.792 1.00 0.00 O ATOM 690 CB PRO A 44 -23.063 -9.403 -8.586 1.00 0.00 C ATOM 691 CG PRO A 44 -23.403 -9.160 -7.148 1.00 0.00 C ATOM 692 CD PRO A 44 -22.301 -8.254 -6.576 1.00 0.00 C ATOM 0 HA PRO A 44 -21.535 -8.395 -9.799 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -23.963 -9.527 -9.188 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -22.473 -10.312 -8.703 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -24.380 -8.685 -7.057 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -23.454 -10.100 -6.599 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -22.720 -7.471 -5.945 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -21.603 -8.820 -5.960 1.00 0.00 H new ATOM 700 N LEU A 45 -23.443 -6.048 -8.913 1.00 0.00 N ATOM 701 CA LEU A 45 -24.318 -4.984 -9.396 1.00 0.00 C ATOM 702 C LEU A 45 -23.792 -4.407 -10.706 1.00 0.00 C ATOM 703 O LEU A 45 -24.568 -3.955 -11.546 1.00 0.00 O ATOM 704 CB LEU A 45 -24.404 -3.872 -8.345 1.00 0.00 C ATOM 705 CG LEU A 45 -24.767 -4.470 -6.981 1.00 0.00 C ATOM 706 CD1 LEU A 45 -24.807 -3.354 -5.935 1.00 0.00 C ATOM 707 CD2 LEU A 45 -26.141 -5.153 -7.059 1.00 0.00 C ATOM 0 H LEU A 45 -23.073 -5.900 -7.974 1.00 0.00 H new ATOM 0 HA LEU A 45 -25.309 -5.403 -9.572 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -23.451 -3.347 -8.280 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -25.153 -3.137 -8.641 1.00 0.00 H new ATOM 0 HG LEU A 45 -24.018 -5.210 -6.699 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -25.065 -3.775 -4.963 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -23.829 -2.876 -5.875 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -25.555 -2.615 -6.220 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -26.393 -5.576 -6.086 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -26.896 -4.420 -7.343 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -26.110 -5.949 -7.803 1.00 0.00 H new ATOM 719 N GLY A 46 -22.473 -4.429 -10.879 1.00 0.00 N ATOM 720 CA GLY A 46 -21.857 -3.908 -12.102 1.00 0.00 C ATOM 721 C GLY A 46 -20.650 -3.043 -11.772 1.00 0.00 C ATOM 722 O GLY A 46 -20.238 -2.206 -12.574 1.00 0.00 O ATOM 0 H GLY A 46 -21.812 -4.798 -10.195 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -21.553 -4.736 -12.743 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -22.587 -3.323 -12.662 1.00 0.00 H new ATOM 726 N ASP A 47 -20.082 -3.248 -10.587 1.00 0.00 N ATOM 727 CA ASP A 47 -18.917 -2.474 -10.161 1.00 0.00 C ATOM 728 C ASP A 47 -17.638 -3.271 -10.439 1.00 0.00 C ATOM 729 O ASP A 47 -17.673 -4.491 -10.589 1.00 0.00 O ATOM 730 CB ASP A 47 -19.040 -2.145 -8.653 1.00 0.00 C ATOM 731 CG ASP A 47 -19.424 -0.679 -8.440 1.00 0.00 C ATOM 732 OD1 ASP A 47 -20.480 -0.289 -8.913 1.00 0.00 O ATOM 733 OD2 ASP A 47 -18.655 0.028 -7.812 1.00 0.00 O ATOM 0 H ASP A 47 -20.405 -3.938 -9.908 1.00 0.00 H new ATOM 0 HA ASP A 47 -18.871 -1.540 -10.720 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -19.790 -2.791 -8.196 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -18.094 -2.353 -8.154 1.00 0.00 H new ATOM 738 N PRO A 48 -16.517 -2.600 -10.504 1.00 0.00 N ATOM 739 CA PRO A 48 -15.200 -3.251 -10.770 1.00 0.00 C ATOM 740 C PRO A 48 -14.848 -4.279 -9.697 1.00 0.00 C ATOM 741 O PRO A 48 -15.559 -4.421 -8.702 1.00 0.00 O ATOM 742 CB PRO A 48 -14.198 -2.080 -10.774 1.00 0.00 C ATOM 743 CG PRO A 48 -14.890 -0.976 -10.038 1.00 0.00 C ATOM 744 CD PRO A 48 -16.375 -1.148 -10.333 1.00 0.00 C ATOM 0 HA PRO A 48 -15.198 -3.808 -11.707 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -13.265 -2.357 -10.283 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -13.946 -1.779 -11.791 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -14.694 -1.037 -8.967 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -14.535 -0.001 -10.372 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -16.994 -0.776 -9.516 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -16.673 -0.606 -11.230 1.00 0.00 H new ATOM 752 N ILE A 49 -13.752 -5.001 -9.916 1.00 0.00 N ATOM 753 CA ILE A 49 -13.318 -6.025 -8.972 1.00 0.00 C ATOM 754 C ILE A 49 -12.322 -5.441 -7.979 1.00 0.00 C ATOM 755 O ILE A 49 -11.213 -5.058 -8.347 1.00 0.00 O ATOM 756 CB ILE A 49 -12.656 -7.178 -9.739 1.00 0.00 C ATOM 757 CG1 ILE A 49 -13.458 -7.455 -11.017 1.00 0.00 C ATOM 758 CG2 ILE A 49 -12.606 -8.441 -8.864 1.00 0.00 C ATOM 759 CD1 ILE A 49 -14.940 -7.651 -10.681 1.00 0.00 C ATOM 0 H ILE A 49 -13.152 -4.896 -10.734 1.00 0.00 H new ATOM 0 HA ILE A 49 -14.187 -6.394 -8.426 1.00 0.00 H new ATOM 0 HB ILE A 49 -11.635 -6.900 -10.000 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -13.343 -6.625 -11.714 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -13.070 -8.344 -11.513 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -12.134 -9.251 -9.421 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -12.029 -8.236 -7.962 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -13.619 -8.733 -8.588 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -15.498 -7.847 -11.597 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -15.050 -8.496 -10.001 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -15.328 -6.750 -10.206 1.00 0.00 H new ATOM 771 N HIS A 50 -12.727 -5.386 -6.713 1.00 0.00 N ATOM 772 CA HIS A 50 -11.868 -4.856 -5.660 1.00 0.00 C ATOM 773 C HIS A 50 -11.096 -5.981 -4.994 1.00 0.00 C ATOM 774 O HIS A 50 -11.687 -6.952 -4.520 1.00 0.00 O ATOM 775 CB HIS A 50 -12.709 -4.129 -4.612 1.00 0.00 C ATOM 776 CG HIS A 50 -13.245 -2.853 -5.198 1.00 0.00 C ATOM 777 ND1 HIS A 50 -13.387 -1.699 -4.445 1.00 0.00 N ATOM 778 CD2 HIS A 50 -13.668 -2.529 -6.463 1.00 0.00 C ATOM 779 CE1 HIS A 50 -13.875 -0.743 -5.254 1.00 0.00 C ATOM 780 NE2 HIS A 50 -14.065 -1.196 -6.495 1.00 0.00 N ATOM 0 H HIS A 50 -13.643 -5.701 -6.393 1.00 0.00 H new ATOM 0 HA HIS A 50 -11.164 -4.155 -6.109 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -13.531 -4.765 -4.285 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -12.104 -3.912 -3.732 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -13.162 -1.594 -3.456 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -13.689 -3.205 -7.305 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -14.087 0.268 -4.939 1.00 0.00 H new ATOM 788 N ILE A 51 -9.772 -5.846 -4.959 1.00 0.00 N ATOM 789 CA ILE A 51 -8.917 -6.862 -4.345 1.00 0.00 C ATOM 790 C ILE A 51 -7.990 -6.230 -3.315 1.00 0.00 C ATOM 791 O ILE A 51 -7.601 -5.065 -3.448 1.00 0.00 O ATOM 792 CB ILE A 51 -8.091 -7.573 -5.423 1.00 0.00 C ATOM 793 CG1 ILE A 51 -7.212 -6.559 -6.169 1.00 0.00 C ATOM 794 CG2 ILE A 51 -9.031 -8.246 -6.423 1.00 0.00 C ATOM 795 CD1 ILE A 51 -6.273 -7.301 -7.123 1.00 0.00 C ATOM 0 H ILE A 51 -9.269 -5.048 -5.346 1.00 0.00 H new ATOM 0 HA ILE A 51 -9.552 -7.590 -3.841 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.456 -8.320 -4.946 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.837 -5.861 -6.726 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.633 -5.970 -5.457 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.445 -8.752 -7.190 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.654 -8.974 -5.904 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.666 -7.493 -6.890 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.649 -6.581 -7.653 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.639 -7.981 -6.554 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.861 -7.870 -7.843 1.00 0.00 H new ATOM 807 N GLU A 52 -7.630 -7.008 -2.294 1.00 0.00 N ATOM 808 CA GLU A 52 -6.737 -6.520 -1.243 1.00 0.00 C ATOM 809 C GLU A 52 -5.563 -7.470 -1.063 1.00 0.00 C ATOM 810 O GLU A 52 -5.729 -8.690 -1.079 1.00 0.00 O ATOM 811 CB GLU A 52 -7.506 -6.384 0.073 1.00 0.00 C ATOM 812 CG GLU A 52 -8.112 -7.732 0.461 1.00 0.00 C ATOM 813 CD GLU A 52 -8.904 -7.593 1.756 1.00 0.00 C ATOM 814 OE1 GLU A 52 -8.820 -6.541 2.368 1.00 0.00 O ATOM 815 OE2 GLU A 52 -9.579 -8.543 2.120 1.00 0.00 O ATOM 0 H GLU A 52 -7.940 -7.972 -2.173 1.00 0.00 H new ATOM 0 HA GLU A 52 -6.354 -5.542 -1.535 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.838 -6.035 0.861 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.293 -5.638 -0.031 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -8.763 -8.091 -0.336 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.322 -8.473 0.586 1.00 0.00 H new ATOM 822 N THR A 53 -4.367 -6.906 -0.897 1.00 0.00 N ATOM 823 CA THR A 53 -3.160 -7.715 -0.715 1.00 0.00 C ATOM 824 C THR A 53 -2.367 -7.195 0.479 1.00 0.00 C ATOM 825 O THR A 53 -2.218 -5.986 0.659 1.00 0.00 O ATOM 826 CB THR A 53 -2.288 -7.657 -1.983 1.00 0.00 C ATOM 827 OG1 THR A 53 -1.337 -6.610 -1.854 1.00 0.00 O ATOM 828 CG2 THR A 53 -3.170 -7.390 -3.209 1.00 0.00 C ATOM 0 H THR A 53 -4.207 -5.899 -0.885 1.00 0.00 H new ATOM 0 HA THR A 53 -3.451 -8.749 -0.532 1.00 0.00 H new ATOM 0 HB THR A 53 -1.774 -8.610 -2.108 1.00 0.00 H new ATOM 0 HG1 THR A 53 -1.769 -5.751 -2.042 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.548 -7.350 -4.103 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.902 -8.191 -3.312 1.00 0.00 H new ATOM 0 HG23 THR A 53 -3.688 -6.439 -3.085 1.00 0.00 H new ATOM 836 N ARG A 54 -1.856 -8.116 1.287 1.00 0.00 N ATOM 837 CA ARG A 54 -1.078 -7.742 2.463 1.00 0.00 C ATOM 838 C ARG A 54 -0.112 -6.606 2.135 1.00 0.00 C ATOM 839 O ARG A 54 0.014 -5.645 2.896 1.00 0.00 O ATOM 840 CB ARG A 54 -0.300 -8.959 2.978 1.00 0.00 C ATOM 841 CG ARG A 54 0.270 -9.743 1.791 1.00 0.00 C ATOM 842 CD ARG A 54 1.106 -10.914 2.306 1.00 0.00 C ATOM 843 NE ARG A 54 1.651 -11.674 1.185 1.00 0.00 N ATOM 844 CZ ARG A 54 0.952 -12.646 0.607 1.00 0.00 C ATOM 845 NH1 ARG A 54 -0.246 -12.935 1.038 1.00 0.00 N ATOM 846 NH2 ARG A 54 1.461 -13.311 -0.395 1.00 0.00 N ATOM 0 H ARG A 54 -1.965 -9.121 1.152 1.00 0.00 H new ATOM 0 HA ARG A 54 -1.763 -7.396 3.237 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.507 -8.636 3.635 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.955 -9.599 3.569 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.541 -10.110 1.162 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.884 -9.089 1.171 1.00 0.00 H new ATOM 0 HD2 ARG A 54 1.917 -10.544 2.933 1.00 0.00 H new ATOM 0 HD3 ARG A 54 0.491 -11.563 2.930 1.00 0.00 H new ATOM 0 HE ARG A 54 2.585 -11.455 0.839 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.646 -12.415 1.819 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.782 -13.681 0.594 1.00 0.00 H new ATOM 0 HH21 ARG A 54 2.396 -13.085 -0.735 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.924 -14.057 -0.838 1.00 0.00 H new ATOM 860 N ARG A 55 0.563 -6.724 1.001 1.00 0.00 N ATOM 861 CA ARG A 55 1.511 -5.702 0.581 1.00 0.00 C ATOM 862 C ARG A 55 0.793 -4.387 0.293 1.00 0.00 C ATOM 863 O ARG A 55 1.272 -3.313 0.661 1.00 0.00 O ATOM 864 CB ARG A 55 2.253 -6.171 -0.678 1.00 0.00 C ATOM 865 CG ARG A 55 3.228 -7.310 -0.333 1.00 0.00 C ATOM 866 CD ARG A 55 4.551 -6.743 0.202 1.00 0.00 C ATOM 867 NE ARG A 55 5.491 -7.831 0.456 1.00 0.00 N ATOM 868 CZ ARG A 55 5.556 -8.433 1.642 1.00 0.00 C ATOM 869 NH1 ARG A 55 4.755 -8.072 2.607 1.00 0.00 N ATOM 870 NH2 ARG A 55 6.417 -9.394 1.837 1.00 0.00 N ATOM 0 H ARG A 55 0.473 -7.511 0.359 1.00 0.00 H new ATOM 0 HA ARG A 55 2.226 -5.539 1.388 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.536 -6.511 -1.425 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.799 -5.337 -1.118 1.00 0.00 H new ATOM 0 HG2 ARG A 55 2.780 -7.967 0.412 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.417 -7.915 -1.219 1.00 0.00 H new ATOM 0 HD2 ARG A 55 4.976 -6.045 -0.519 1.00 0.00 H new ATOM 0 HD3 ARG A 55 4.372 -6.183 1.120 1.00 0.00 H new ATOM 0 HE ARG A 55 6.112 -8.137 -0.293 1.00 0.00 H new ATOM 0 HH11 ARG A 55 4.076 -7.326 2.454 1.00 0.00 H new ATOM 0 HH12 ARG A 55 4.808 -8.536 3.514 1.00 0.00 H new ATOM 0 HH21 ARG A 55 7.039 -9.683 1.082 1.00 0.00 H new ATOM 0 HH22 ARG A 55 6.468 -9.856 2.745 1.00 0.00 H new ATOM 884 N VAL A 56 -0.355 -4.477 -0.369 1.00 0.00 N ATOM 885 CA VAL A 56 -1.127 -3.285 -0.699 1.00 0.00 C ATOM 886 C VAL A 56 -2.500 -3.675 -1.216 1.00 0.00 C ATOM 887 O VAL A 56 -2.817 -4.858 -1.327 1.00 0.00 O ATOM 888 CB VAL A 56 -0.384 -2.462 -1.759 1.00 0.00 C ATOM 889 CG1 VAL A 56 -0.344 -3.239 -3.078 1.00 0.00 C ATOM 890 CG2 VAL A 56 -1.082 -1.101 -1.976 1.00 0.00 C ATOM 0 H VAL A 56 -0.769 -5.354 -0.685 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.249 -2.683 0.202 1.00 0.00 H new ATOM 0 HB VAL A 56 0.633 -2.280 -1.412 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.184 -2.653 -3.830 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.174 -4.186 -2.927 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.362 -3.432 -3.418 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.541 -0.531 -2.731 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.106 -1.267 -2.311 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.092 -0.544 -1.039 1.00 0.00 H new ATOM 900 N SER A 57 -3.311 -2.672 -1.543 1.00 0.00 N ATOM 901 CA SER A 57 -4.653 -2.918 -2.064 1.00 0.00 C ATOM 902 C SER A 57 -4.820 -2.249 -3.418 1.00 0.00 C ATOM 903 O SER A 57 -4.192 -1.230 -3.701 1.00 0.00 O ATOM 904 CB SER A 57 -5.701 -2.371 -1.094 1.00 0.00 C ATOM 905 OG SER A 57 -5.904 -0.991 -1.361 1.00 0.00 O ATOM 0 H SER A 57 -3.064 -1.686 -1.457 1.00 0.00 H new ATOM 0 HA SER A 57 -4.791 -3.994 -2.175 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.638 -2.917 -1.205 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.370 -2.510 -0.065 1.00 0.00 H new ATOM 0 HG SER A 57 -6.576 -0.634 -0.744 1.00 0.00 H new ATOM 911 N LEU A 58 -5.670 -2.835 -4.258 1.00 0.00 N ATOM 912 CA LEU A 58 -5.907 -2.286 -5.589 1.00 0.00 C ATOM 913 C LEU A 58 -7.230 -2.798 -6.147 1.00 0.00 C ATOM 914 O LEU A 58 -7.783 -3.783 -5.655 1.00 0.00 O ATOM 915 CB LEU A 58 -4.743 -2.666 -6.522 1.00 0.00 C ATOM 916 CG LEU A 58 -4.865 -1.929 -7.889 1.00 0.00 C ATOM 917 CD1 LEU A 58 -3.481 -1.486 -8.384 1.00 0.00 C ATOM 918 CD2 LEU A 58 -5.484 -2.869 -8.934 1.00 0.00 C ATOM 0 H LEU A 58 -6.200 -3.680 -4.044 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.964 -1.200 -5.521 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.794 -2.411 -6.050 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.738 -3.744 -6.684 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.499 -1.053 -7.751 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.584 -0.973 -9.340 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.033 -0.810 -7.655 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.842 -2.360 -8.508 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.567 -2.348 -9.888 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.850 -3.748 -9.054 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.475 -3.179 -8.603 1.00 0.00 H new ATOM 930 N VAL A 59 -7.738 -2.118 -7.176 1.00 0.00 N ATOM 931 CA VAL A 59 -9.006 -2.504 -7.803 1.00 0.00 C ATOM 932 C VAL A 59 -8.808 -2.784 -9.291 1.00 0.00 C ATOM 933 O VAL A 59 -8.188 -2.000 -10.008 1.00 0.00 O ATOM 934 CB VAL A 59 -10.034 -1.380 -7.626 1.00 0.00 C ATOM 935 CG1 VAL A 59 -9.446 -0.059 -8.129 1.00 0.00 C ATOM 936 CG2 VAL A 59 -11.303 -1.710 -8.418 1.00 0.00 C ATOM 0 H VAL A 59 -7.294 -1.300 -7.593 1.00 0.00 H new ATOM 0 HA VAL A 59 -9.368 -3.412 -7.321 1.00 0.00 H new ATOM 0 HB VAL A 59 -10.283 -1.286 -6.569 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -10.179 0.737 -8.002 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.548 0.180 -7.559 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -9.192 -0.153 -9.185 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -12.031 -0.909 -8.289 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -11.056 -1.810 -9.475 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -11.726 -2.646 -8.054 1.00 0.00 H new ATOM 946 N LEU A 60 -9.354 -3.912 -9.744 1.00 0.00 N ATOM 947 CA LEU A 60 -9.257 -4.314 -11.150 1.00 0.00 C ATOM 948 C LEU A 60 -10.644 -4.558 -11.728 1.00 0.00 C ATOM 949 O LEU A 60 -11.598 -4.809 -10.996 1.00 0.00 O ATOM 950 CB LEU A 60 -8.412 -5.590 -11.287 1.00 0.00 C ATOM 951 CG LEU A 60 -6.924 -5.257 -11.136 1.00 0.00 C ATOM 952 CD1 LEU A 60 -6.113 -6.556 -11.095 1.00 0.00 C ATOM 953 CD2 LEU A 60 -6.451 -4.366 -12.312 1.00 0.00 C ATOM 0 H LEU A 60 -9.870 -4.567 -9.157 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.776 -3.507 -11.702 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.709 -6.315 -10.529 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.592 -6.052 -12.258 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.771 -4.709 -10.206 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.054 -6.321 -10.988 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.438 -7.161 -10.249 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.269 -7.112 -12.020 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.392 -4.137 -12.192 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.604 -4.894 -13.253 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.024 -3.439 -12.319 1.00 0.00 H new ATOM 965 N ARG A 61 -10.743 -4.471 -13.049 1.00 0.00 N ATOM 966 CA ARG A 61 -12.011 -4.679 -13.738 1.00 0.00 C ATOM 967 C ARG A 61 -12.162 -6.145 -14.120 1.00 0.00 C ATOM 968 O ARG A 61 -11.224 -6.930 -13.993 1.00 0.00 O ATOM 969 CB ARG A 61 -12.070 -3.813 -15.002 1.00 0.00 C ATOM 970 CG ARG A 61 -12.122 -2.313 -14.629 1.00 0.00 C ATOM 971 CD ARG A 61 -10.702 -1.748 -14.491 1.00 0.00 C ATOM 972 NE ARG A 61 -10.757 -0.328 -14.160 1.00 0.00 N ATOM 973 CZ ARG A 61 -10.855 0.599 -15.111 1.00 0.00 C ATOM 974 NH1 ARG A 61 -10.914 0.241 -16.365 1.00 0.00 N ATOM 975 NH2 ARG A 61 -10.895 1.864 -14.790 1.00 0.00 N ATOM 0 H ARG A 61 -9.959 -4.257 -13.666 1.00 0.00 H new ATOM 0 HA ARG A 61 -12.824 -4.395 -13.069 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.197 -4.009 -15.625 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -12.948 -4.078 -15.591 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -12.668 -1.760 -15.394 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -12.665 -2.183 -13.693 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -10.161 -2.289 -13.715 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -10.153 -1.891 -15.422 1.00 0.00 H new ATOM 0 HE ARG A 61 -10.720 -0.040 -13.182 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -10.885 -0.747 -16.615 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -10.989 0.950 -17.095 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.851 2.143 -13.810 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -10.970 2.573 -15.519 1.00 0.00 H new ATOM 989 N LYS A 62 -13.347 -6.509 -14.586 1.00 0.00 N ATOM 990 CA LYS A 62 -13.606 -7.886 -14.982 1.00 0.00 C ATOM 991 C LYS A 62 -12.672 -8.292 -16.122 1.00 0.00 C ATOM 992 O LYS A 62 -12.095 -9.383 -16.113 1.00 0.00 O ATOM 993 CB LYS A 62 -15.061 -8.018 -15.434 1.00 0.00 C ATOM 994 CG LYS A 62 -15.377 -9.486 -15.732 1.00 0.00 C ATOM 995 CD LYS A 62 -16.823 -9.622 -16.224 1.00 0.00 C ATOM 996 CE LYS A 62 -17.810 -9.456 -15.062 1.00 0.00 C ATOM 997 NZ LYS A 62 -19.154 -9.932 -15.494 1.00 0.00 N ATOM 0 H LYS A 62 -14.139 -5.876 -14.699 1.00 0.00 H new ATOM 0 HA LYS A 62 -13.426 -8.543 -14.131 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -15.728 -7.642 -14.658 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -15.232 -7.411 -16.323 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -14.690 -9.868 -16.487 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -15.231 -10.087 -14.835 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -17.024 -8.871 -16.988 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -16.963 -10.597 -16.690 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -17.470 -10.024 -14.196 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -17.861 -8.411 -14.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -19.829 -9.823 -14.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -19.475 -9.372 -16.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -19.097 -10.935 -15.764 1.00 0.00 H new ATOM 1011 N LYS A 63 -12.526 -7.404 -17.099 1.00 0.00 N ATOM 1012 CA LYS A 63 -11.663 -7.679 -18.239 1.00 0.00 C ATOM 1013 C LYS A 63 -10.219 -7.854 -17.787 1.00 0.00 C ATOM 1014 O LYS A 63 -9.487 -8.688 -18.323 1.00 0.00 O ATOM 1015 CB LYS A 63 -11.748 -6.542 -19.259 1.00 0.00 C ATOM 1016 CG LYS A 63 -13.147 -6.521 -19.884 1.00 0.00 C ATOM 1017 CD LYS A 63 -13.189 -5.513 -21.038 1.00 0.00 C ATOM 1018 CE LYS A 63 -13.064 -4.085 -20.500 1.00 0.00 C ATOM 1019 NZ LYS A 63 -13.488 -3.122 -21.555 1.00 0.00 N ATOM 0 H LYS A 63 -12.990 -6.496 -17.124 1.00 0.00 H new ATOM 0 HA LYS A 63 -12.002 -8.604 -18.706 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -11.540 -5.588 -18.775 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.994 -6.677 -20.034 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -13.407 -7.515 -20.248 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -13.888 -6.254 -19.130 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -12.379 -5.717 -21.738 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -14.123 -5.621 -21.590 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -13.683 -3.964 -19.611 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -12.035 -3.885 -20.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -13.404 -2.151 -21.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -12.880 -3.233 -22.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -14.476 -3.309 -21.819 1.00 0.00 H new ATOM 1033 N ASP A 64 -9.811 -7.063 -16.801 1.00 0.00 N ATOM 1034 CA ASP A 64 -8.447 -7.141 -16.290 1.00 0.00 C ATOM 1035 C ASP A 64 -8.161 -8.538 -15.744 1.00 0.00 C ATOM 1036 O ASP A 64 -7.123 -9.127 -16.043 1.00 0.00 O ATOM 1037 CB ASP A 64 -8.249 -6.105 -15.185 1.00 0.00 C ATOM 1038 CG ASP A 64 -8.175 -4.702 -15.781 1.00 0.00 C ATOM 1039 OD1 ASP A 64 -7.958 -4.596 -16.976 1.00 0.00 O ATOM 1040 OD2 ASP A 64 -8.334 -3.754 -15.030 1.00 0.00 O ATOM 0 H ASP A 64 -10.399 -6.366 -16.343 1.00 0.00 H new ATOM 0 HA ASP A 64 -7.756 -6.936 -17.107 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -9.072 -6.162 -14.472 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -7.334 -6.322 -14.634 1.00 0.00 H new ATOM 1045 N LEU A 65 -9.093 -9.074 -14.956 1.00 0.00 N ATOM 1046 CA LEU A 65 -8.919 -10.415 -14.399 1.00 0.00 C ATOM 1047 C LEU A 65 -8.867 -11.445 -15.521 1.00 0.00 C ATOM 1048 O LEU A 65 -8.051 -12.365 -15.491 1.00 0.00 O ATOM 1049 CB LEU A 65 -10.070 -10.756 -13.427 1.00 0.00 C ATOM 1050 CG LEU A 65 -9.719 -10.311 -12.000 1.00 0.00 C ATOM 1051 CD1 LEU A 65 -9.607 -8.787 -11.935 1.00 0.00 C ATOM 1052 CD2 LEU A 65 -10.797 -10.790 -11.032 1.00 0.00 C ATOM 0 H LEU A 65 -9.962 -8.610 -14.692 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.979 -10.438 -13.847 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.986 -10.264 -13.753 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.261 -11.829 -13.443 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.761 -10.748 -11.719 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.358 -8.484 -10.918 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.825 -8.450 -12.616 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.558 -8.340 -12.224 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.545 -10.472 -10.020 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -11.758 -10.363 -11.317 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -10.859 -11.878 -11.066 1.00 0.00 H new ATOM 1064 N ALA A 66 -9.739 -11.288 -16.509 1.00 0.00 N ATOM 1065 CA ALA A 66 -9.764 -12.222 -17.623 1.00 0.00 C ATOM 1066 C ALA A 66 -8.405 -12.251 -18.317 1.00 0.00 C ATOM 1067 O ALA A 66 -7.843 -13.319 -18.561 1.00 0.00 O ATOM 1068 CB ALA A 66 -10.846 -11.817 -18.624 1.00 0.00 C ATOM 0 H ALA A 66 -10.426 -10.536 -16.561 1.00 0.00 H new ATOM 0 HA ALA A 66 -9.988 -13.217 -17.238 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -10.856 -12.523 -19.454 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -11.818 -11.823 -18.131 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -10.636 -10.816 -19.001 1.00 0.00 H new ATOM 1074 N LEU A 67 -7.882 -11.071 -18.633 1.00 0.00 N ATOM 1075 CA LEU A 67 -6.587 -10.971 -19.292 1.00 0.00 C ATOM 1076 C LEU A 67 -5.455 -11.372 -18.353 1.00 0.00 C ATOM 1077 O LEU A 67 -4.518 -12.056 -18.754 1.00 0.00 O ATOM 1078 CB LEU A 67 -6.358 -9.538 -19.775 1.00 0.00 C ATOM 1079 CG LEU A 67 -7.369 -9.190 -20.874 1.00 0.00 C ATOM 1080 CD1 LEU A 67 -7.217 -7.711 -21.243 1.00 0.00 C ATOM 1081 CD2 LEU A 67 -7.129 -10.070 -22.119 1.00 0.00 C ATOM 0 H LEU A 67 -8.333 -10.176 -18.444 1.00 0.00 H new ATOM 0 HA LEU A 67 -6.591 -11.654 -20.141 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.460 -8.843 -18.941 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.342 -9.431 -20.156 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.379 -9.376 -20.509 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -7.933 -7.456 -22.024 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -7.405 -7.095 -20.363 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.205 -7.528 -21.604 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.854 -9.813 -22.892 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.121 -9.900 -22.496 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -7.243 -11.120 -21.850 1.00 0.00 H new ATOM 1093 N LEU A 68 -5.542 -10.931 -17.104 1.00 0.00 N ATOM 1094 CA LEU A 68 -4.507 -11.239 -16.128 1.00 0.00 C ATOM 1095 C LEU A 68 -4.434 -12.741 -15.893 1.00 0.00 C ATOM 1096 O LEU A 68 -5.458 -13.404 -15.728 1.00 0.00 O ATOM 1097 CB LEU A 68 -4.808 -10.526 -14.804 1.00 0.00 C ATOM 1098 CG LEU A 68 -3.593 -10.619 -13.853 1.00 0.00 C ATOM 1099 CD1 LEU A 68 -2.606 -9.475 -14.141 1.00 0.00 C ATOM 1100 CD2 LEU A 68 -4.064 -10.515 -12.398 1.00 0.00 C ATOM 0 H LEU A 68 -6.311 -10.364 -16.746 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.549 -10.893 -16.515 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.050 -9.480 -14.994 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.682 -10.975 -14.332 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.097 -11.576 -14.014 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.754 -9.551 -13.465 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.259 -9.545 -15.172 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.105 -8.518 -13.990 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.204 -10.581 -11.732 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.568 -9.561 -12.246 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.755 -11.329 -12.180 1.00 0.00 H new ATOM 1112 N GLU A 69 -3.215 -13.276 -15.886 1.00 0.00 N ATOM 1113 CA GLU A 69 -3.030 -14.709 -15.676 1.00 0.00 C ATOM 1114 C GLU A 69 -3.043 -15.029 -14.187 1.00 0.00 C ATOM 1115 O GLU A 69 -2.158 -14.604 -13.439 1.00 0.00 O ATOM 1116 CB GLU A 69 -1.702 -15.160 -16.285 1.00 0.00 C ATOM 1117 CG GLU A 69 -1.746 -14.976 -17.803 1.00 0.00 C ATOM 1118 CD GLU A 69 -0.405 -15.367 -18.411 1.00 0.00 C ATOM 1119 OE1 GLU A 69 0.611 -15.020 -17.831 1.00 0.00 O ATOM 1120 OE2 GLU A 69 -0.413 -16.010 -19.449 1.00 0.00 O ATOM 0 H GLU A 69 -2.353 -12.748 -16.021 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.848 -15.241 -16.162 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.881 -14.581 -15.862 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.514 -16.205 -16.040 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.541 -15.588 -18.229 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.977 -13.939 -18.046 1.00 0.00 H new ATOM 1127 N VAL A 70 -4.052 -15.787 -13.758 1.00 0.00 N ATOM 1128 CA VAL A 70 -4.177 -16.169 -12.350 1.00 0.00 C ATOM 1129 C VAL A 70 -4.494 -17.651 -12.225 1.00 0.00 C ATOM 1130 O VAL A 70 -5.043 -18.260 -13.143 1.00 0.00 O ATOM 1131 CB VAL A 70 -5.284 -15.353 -11.679 1.00 0.00 C ATOM 1132 CG1 VAL A 70 -4.874 -13.881 -11.611 1.00 0.00 C ATOM 1133 CG2 VAL A 70 -6.574 -15.484 -12.494 1.00 0.00 C ATOM 0 H VAL A 70 -4.792 -16.147 -14.361 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.227 -15.967 -11.855 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.447 -15.728 -10.669 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -5.666 -13.305 -11.132 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.955 -13.786 -11.032 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.709 -13.502 -12.620 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.365 -14.904 -12.019 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.406 -15.110 -13.504 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.870 -16.532 -12.540 1.00 0.00 H new ATOM 1143 N GLU A 71 -4.141 -18.227 -11.078 1.00 0.00 N ATOM 1144 CA GLU A 71 -4.389 -19.649 -10.830 1.00 0.00 C ATOM 1145 C GLU A 71 -4.820 -19.876 -9.387 1.00 0.00 C ATOM 1146 O GLU A 71 -4.316 -19.232 -8.467 1.00 0.00 O ATOM 1147 CB GLU A 71 -3.120 -20.459 -11.112 1.00 0.00 C ATOM 1148 CG GLU A 71 -2.824 -20.471 -12.617 1.00 0.00 C ATOM 1149 CD GLU A 71 -3.919 -21.224 -13.367 1.00 0.00 C ATOM 1150 OE1 GLU A 71 -4.210 -22.345 -12.982 1.00 0.00 O ATOM 1151 OE2 GLU A 71 -4.453 -20.669 -14.313 1.00 0.00 O ATOM 0 H GLU A 71 -3.685 -17.736 -10.309 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.189 -19.977 -11.494 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -2.277 -20.028 -10.571 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -3.243 -21.480 -10.750 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -2.756 -19.449 -12.989 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -1.858 -20.942 -12.801 1.00 0.00 H new ATOM 1158 N ALA A 72 -5.751 -20.805 -9.200 1.00 0.00 N ATOM 1159 CA ALA A 72 -6.242 -21.126 -7.867 1.00 0.00 C ATOM 1160 C ALA A 72 -5.187 -21.900 -7.089 1.00 0.00 C ATOM 1161 O ALA A 72 -4.433 -22.688 -7.661 1.00 0.00 O ATOM 1162 CB ALA A 72 -7.521 -21.959 -7.968 1.00 0.00 C ATOM 0 H ALA A 72 -6.179 -21.346 -9.951 1.00 0.00 H new ATOM 0 HA ALA A 72 -6.459 -20.196 -7.342 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -7.882 -22.195 -6.967 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -8.283 -21.393 -8.504 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.311 -22.884 -8.505 1.00 0.00 H new ATOM 1168 N VAL A 73 -5.132 -21.669 -5.780 1.00 0.00 N ATOM 1169 CA VAL A 73 -4.157 -22.348 -4.923 1.00 0.00 C ATOM 1170 C VAL A 73 -4.839 -23.449 -4.118 1.00 0.00 C ATOM 1171 O VAL A 73 -5.856 -23.216 -3.466 1.00 0.00 O ATOM 1172 CB VAL A 73 -3.516 -21.338 -3.967 1.00 0.00 C ATOM 1173 CG1 VAL A 73 -2.369 -22.009 -3.212 1.00 0.00 C ATOM 1174 CG2 VAL A 73 -2.963 -20.153 -4.764 1.00 0.00 C ATOM 0 H VAL A 73 -5.747 -21.020 -5.289 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.387 -22.793 -5.553 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.268 -20.986 -3.261 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.912 -21.291 -2.531 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.754 -22.855 -2.642 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.622 -22.361 -3.923 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.508 -19.436 -4.081 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.213 -20.508 -5.471 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.775 -19.670 -5.309 1.00 0.00 H new