USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 423 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 34 HIS : no HD1:sc= -0.38 X(o=-0.39,f=-0.4) USER MOD Set 1.2: A 36 SER OG : rot 180:sc= -0.0116 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.286 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -0.905 K(o=-0.91,f=0.53) USER MOD Single : A 45 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0204) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.455 X(o=-0.45,f=-0.28) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.104 K(o=-0.1,f=-2.7!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00329) USER MOD ----------------------------------------------------------------- ATOM 109 N VAL A 8 10.729 -2.695 5.912 1.00 0.00 N ATOM 110 CA VAL A 8 9.259 -2.557 6.115 1.00 0.00 C ATOM 111 C VAL A 8 8.908 -1.072 6.205 1.00 0.00 C ATOM 112 O VAL A 8 9.541 -0.317 6.918 1.00 0.00 O ATOM 113 CB VAL A 8 8.851 -3.262 7.410 1.00 0.00 C ATOM 114 CG1 VAL A 8 7.351 -3.073 7.642 1.00 0.00 C ATOM 115 CG2 VAL A 8 9.164 -4.755 7.293 1.00 0.00 C ATOM 0 HA VAL A 8 8.727 -3.011 5.279 1.00 0.00 H new ATOM 0 HB VAL A 8 9.404 -2.837 8.248 1.00 0.00 H new ATOM 0 HG11 VAL A 8 7.059 -3.575 8.565 1.00 0.00 H new ATOM 0 HG12 VAL A 8 7.126 -2.009 7.721 1.00 0.00 H new ATOM 0 HG13 VAL A 8 6.797 -3.500 6.806 1.00 0.00 H new ATOM 0 HG21 VAL A 8 8.875 -5.261 8.214 1.00 0.00 H new ATOM 0 HG22 VAL A 8 8.608 -5.179 6.456 1.00 0.00 H new ATOM 0 HG23 VAL A 8 10.232 -4.891 7.125 1.00 0.00 H new ATOM 125 N TYR A 9 7.912 -0.642 5.483 1.00 0.00 N ATOM 126 CA TYR A 9 7.533 0.798 5.523 1.00 0.00 C ATOM 127 C TYR A 9 6.222 0.972 6.281 1.00 0.00 C ATOM 128 O TYR A 9 5.607 0.021 6.718 1.00 0.00 O ATOM 129 CB TYR A 9 7.330 1.314 4.096 1.00 0.00 C ATOM 130 CG TYR A 9 8.628 1.845 3.548 1.00 0.00 C ATOM 131 CD1 TYR A 9 9.794 1.075 3.626 1.00 0.00 C ATOM 132 CD2 TYR A 9 8.659 3.109 2.956 1.00 0.00 C ATOM 133 CE1 TYR A 9 10.996 1.577 3.110 1.00 0.00 C ATOM 134 CE2 TYR A 9 9.856 3.611 2.441 1.00 0.00 C ATOM 135 CZ TYR A 9 11.027 2.846 2.516 1.00 0.00 C ATOM 136 OH TYR A 9 12.209 3.341 2.008 1.00 0.00 O ATOM 0 H TYR A 9 7.344 -1.224 4.867 1.00 0.00 H new ATOM 0 HA TYR A 9 8.328 1.353 6.020 1.00 0.00 H new ATOM 0 HB2 TYR A 9 6.959 0.510 3.460 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.575 2.100 4.089 1.00 0.00 H new ATOM 0 HD1 TYR A 9 9.767 0.097 4.083 1.00 0.00 H new ATOM 0 HD2 TYR A 9 7.756 3.699 2.896 1.00 0.00 H new ATOM 0 HE1 TYR A 9 11.898 0.986 3.170 1.00 0.00 H new ATOM 0 HE2 TYR A 9 9.879 4.590 1.985 1.00 0.00 H new ATOM 0 HH TYR A 9 12.055 4.232 1.631 1.00 0.00 H new ATOM 146 N THR A 10 5.777 2.189 6.405 1.00 0.00 N ATOM 147 CA THR A 10 4.486 2.452 7.089 1.00 0.00 C ATOM 148 C THR A 10 3.581 3.163 6.091 1.00 0.00 C ATOM 149 O THR A 10 3.727 4.341 5.830 1.00 0.00 O ATOM 150 CB THR A 10 4.703 3.331 8.318 1.00 0.00 C ATOM 151 OG1 THR A 10 6.000 3.096 8.850 1.00 0.00 O ATOM 152 CG2 THR A 10 3.643 2.981 9.360 1.00 0.00 C ATOM 0 H THR A 10 6.258 3.019 6.058 1.00 0.00 H new ATOM 0 HA THR A 10 4.035 1.518 7.424 1.00 0.00 H new ATOM 0 HB THR A 10 4.620 4.383 8.045 1.00 0.00 H new ATOM 0 HG1 THR A 10 6.138 3.662 9.638 1.00 0.00 H new ATOM 0 HG21 THR A 10 3.784 3.601 10.245 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.651 3.162 8.945 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.736 1.930 9.634 1.00 0.00 H new ATOM 160 N GLY A 11 2.673 2.446 5.500 1.00 0.00 N ATOM 161 CA GLY A 11 1.788 3.067 4.480 1.00 0.00 C ATOM 162 C GLY A 11 0.565 3.709 5.131 1.00 0.00 C ATOM 163 O GLY A 11 -0.279 3.041 5.695 1.00 0.00 O ATOM 0 H GLY A 11 2.504 1.456 5.678 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.344 3.820 3.922 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.468 2.311 3.763 1.00 0.00 H new ATOM 167 N LYS A 12 0.448 5.003 5.019 1.00 0.00 N ATOM 168 CA LYS A 12 -0.736 5.698 5.588 1.00 0.00 C ATOM 169 C LYS A 12 -1.815 5.706 4.511 1.00 0.00 C ATOM 170 O LYS A 12 -1.519 5.680 3.333 1.00 0.00 O ATOM 171 CB LYS A 12 -0.375 7.141 5.959 1.00 0.00 C ATOM 172 CG LYS A 12 1.108 7.224 6.328 1.00 0.00 C ATOM 173 CD LYS A 12 1.277 8.088 7.578 1.00 0.00 C ATOM 174 CE LYS A 12 1.434 9.553 7.169 1.00 0.00 C ATOM 175 NZ LYS A 12 1.769 10.372 8.368 1.00 0.00 N ATOM 0 H LYS A 12 1.125 5.609 4.556 1.00 0.00 H new ATOM 0 HA LYS A 12 -1.081 5.189 6.488 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -0.589 7.806 5.122 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -0.987 7.475 6.797 1.00 0.00 H new ATOM 0 HG2 LYS A 12 1.505 6.225 6.508 1.00 0.00 H new ATOM 0 HG3 LYS A 12 1.676 7.649 5.500 1.00 0.00 H new ATOM 0 HD2 LYS A 12 0.413 7.973 8.232 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.150 7.762 8.143 1.00 0.00 H new ATOM 0 HE2 LYS A 12 2.219 9.650 6.419 1.00 0.00 H new ATOM 0 HE3 LYS A 12 0.512 9.915 6.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 1.876 11.368 8.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 1.006 10.289 9.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 2.660 10.032 8.783 1.00 0.00 H new ATOM 189 N VAL A 13 -3.057 5.734 4.882 1.00 0.00 N ATOM 190 CA VAL A 13 -4.118 5.721 3.843 1.00 0.00 C ATOM 191 C VAL A 13 -4.408 7.154 3.406 1.00 0.00 C ATOM 192 O VAL A 13 -4.938 7.951 4.154 1.00 0.00 O ATOM 193 CB VAL A 13 -5.386 5.096 4.419 1.00 0.00 C ATOM 194 CG1 VAL A 13 -6.432 4.949 3.316 1.00 0.00 C ATOM 195 CG2 VAL A 13 -5.058 3.719 4.998 1.00 0.00 C ATOM 0 H VAL A 13 -3.384 5.765 5.848 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.786 5.137 2.985 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.780 5.738 5.207 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.336 4.503 3.729 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.667 5.931 2.904 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.040 4.309 2.526 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.963 3.272 5.409 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.663 3.078 4.210 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.314 3.824 5.788 1.00 0.00 H new ATOM 205 N THR A 14 -4.047 7.490 2.200 1.00 0.00 N ATOM 206 CA THR A 14 -4.282 8.874 1.712 1.00 0.00 C ATOM 207 C THR A 14 -5.173 8.841 0.468 1.00 0.00 C ATOM 208 O THR A 14 -5.420 9.856 -0.152 1.00 0.00 O ATOM 209 CB THR A 14 -2.938 9.530 1.369 1.00 0.00 C ATOM 210 OG1 THR A 14 -2.688 9.396 -0.023 1.00 0.00 O ATOM 211 CG2 THR A 14 -1.812 8.858 2.159 1.00 0.00 C ATOM 0 H THR A 14 -3.599 6.864 1.531 1.00 0.00 H new ATOM 0 HA THR A 14 -4.779 9.452 2.491 1.00 0.00 H new ATOM 0 HB THR A 14 -2.977 10.587 1.633 1.00 0.00 H new ATOM 0 HG1 THR A 14 -1.831 9.816 -0.243 1.00 0.00 H new ATOM 0 HG21 THR A 14 -0.861 9.329 1.910 1.00 0.00 H new ATOM 0 HG22 THR A 14 -2.002 8.966 3.227 1.00 0.00 H new ATOM 0 HG23 THR A 14 -1.770 7.799 1.904 1.00 0.00 H new ATOM 219 N ARG A 15 -5.663 7.686 0.095 1.00 0.00 N ATOM 220 CA ARG A 15 -6.539 7.606 -1.113 1.00 0.00 C ATOM 221 C ARG A 15 -7.065 6.176 -1.293 1.00 0.00 C ATOM 222 O ARG A 15 -6.436 5.216 -0.897 1.00 0.00 O ATOM 223 CB ARG A 15 -5.735 8.007 -2.354 1.00 0.00 C ATOM 224 CG ARG A 15 -5.937 9.497 -2.635 1.00 0.00 C ATOM 225 CD ARG A 15 -4.591 10.219 -2.553 1.00 0.00 C ATOM 226 NE ARG A 15 -4.171 10.639 -3.917 1.00 0.00 N ATOM 227 CZ ARG A 15 -3.884 11.890 -4.156 1.00 0.00 C ATOM 228 NH1 ARG A 15 -4.730 12.827 -3.826 1.00 0.00 N ATOM 229 NH2 ARG A 15 -2.752 12.202 -4.723 1.00 0.00 N ATOM 0 H ARG A 15 -5.496 6.800 0.571 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.383 8.284 -0.982 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -4.677 7.796 -2.199 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -6.055 7.418 -3.213 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -6.376 9.635 -3.623 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -6.635 9.923 -1.914 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -4.672 11.089 -1.901 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -3.839 9.562 -2.115 1.00 0.00 H new ATOM 0 HE ARG A 15 -4.107 9.949 -4.666 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -5.615 12.582 -3.382 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -4.507 13.805 -4.012 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -2.091 11.469 -4.980 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -2.528 13.179 -4.910 1.00 0.00 H new ATOM 243 N ILE A 16 -8.213 6.036 -1.906 1.00 0.00 N ATOM 244 CA ILE A 16 -8.793 4.680 -2.141 1.00 0.00 C ATOM 245 C ILE A 16 -9.464 4.670 -3.516 1.00 0.00 C ATOM 246 O ILE A 16 -9.789 5.708 -4.058 1.00 0.00 O ATOM 247 CB ILE A 16 -9.823 4.355 -1.057 1.00 0.00 C ATOM 248 CG1 ILE A 16 -9.172 4.502 0.320 1.00 0.00 C ATOM 249 CG2 ILE A 16 -10.316 2.916 -1.235 1.00 0.00 C ATOM 250 CD1 ILE A 16 -10.166 4.082 1.403 1.00 0.00 C ATOM 0 H ILE A 16 -8.777 6.810 -2.256 1.00 0.00 H new ATOM 0 HA ILE A 16 -8.004 3.929 -2.105 1.00 0.00 H new ATOM 0 HB ILE A 16 -10.667 5.041 -1.139 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -8.274 3.886 0.377 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -8.861 5.535 0.478 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -11.050 2.685 -0.463 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.776 2.808 -2.217 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -9.473 2.230 -1.152 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -9.702 4.187 2.384 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -11.051 4.717 1.351 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -10.455 3.043 1.248 1.00 0.00 H new ATOM 262 N VAL A 17 -9.664 3.519 -4.100 1.00 0.00 N ATOM 263 CA VAL A 17 -10.301 3.487 -5.448 1.00 0.00 C ATOM 264 C VAL A 17 -11.344 2.357 -5.507 1.00 0.00 C ATOM 265 O VAL A 17 -11.245 1.368 -4.812 1.00 0.00 O ATOM 266 CB VAL A 17 -9.212 3.272 -6.525 1.00 0.00 C ATOM 267 CG1 VAL A 17 -7.857 3.751 -6.010 1.00 0.00 C ATOM 268 CG2 VAL A 17 -9.089 1.794 -6.868 1.00 0.00 C ATOM 0 H VAL A 17 -9.417 2.610 -3.708 1.00 0.00 H new ATOM 0 HA VAL A 17 -10.806 4.435 -5.636 1.00 0.00 H new ATOM 0 HB VAL A 17 -9.501 3.839 -7.410 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.100 3.594 -6.778 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -7.914 4.812 -5.768 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -7.589 3.189 -5.115 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -8.319 1.660 -7.627 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -8.818 1.234 -5.973 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -10.042 1.429 -7.250 1.00 0.00 H new ATOM 278 N ASP A 18 -12.332 2.488 -6.347 1.00 0.00 N ATOM 279 CA ASP A 18 -13.358 1.413 -6.453 1.00 0.00 C ATOM 280 C ASP A 18 -12.672 0.102 -6.849 1.00 0.00 C ATOM 281 O ASP A 18 -13.004 -0.961 -6.363 1.00 0.00 O ATOM 282 CB ASP A 18 -14.384 1.792 -7.524 1.00 0.00 C ATOM 283 CG ASP A 18 -15.115 3.069 -7.105 1.00 0.00 C ATOM 284 OD1 ASP A 18 -15.525 3.144 -5.959 1.00 0.00 O ATOM 285 OD2 ASP A 18 -15.251 3.950 -7.938 1.00 0.00 O ATOM 0 H ASP A 18 -12.474 3.289 -6.962 1.00 0.00 H new ATOM 0 HA ASP A 18 -13.862 1.291 -5.494 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -13.886 1.944 -8.482 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -15.098 0.980 -7.661 1.00 0.00 H new ATOM 290 N PHE A 19 -11.719 0.176 -7.738 1.00 0.00 N ATOM 291 CA PHE A 19 -11.000 -1.053 -8.187 1.00 0.00 C ATOM 292 C PHE A 19 -9.758 -1.283 -7.322 1.00 0.00 C ATOM 293 O PHE A 19 -8.788 -1.863 -7.768 1.00 0.00 O ATOM 294 CB PHE A 19 -10.554 -0.860 -9.637 1.00 0.00 C ATOM 295 CG PHE A 19 -9.875 0.482 -9.753 1.00 0.00 C ATOM 296 CD1 PHE A 19 -8.537 0.627 -9.364 1.00 0.00 C ATOM 297 CD2 PHE A 19 -10.591 1.589 -10.224 1.00 0.00 C ATOM 298 CE1 PHE A 19 -7.916 1.880 -9.448 1.00 0.00 C ATOM 299 CE2 PHE A 19 -9.969 2.840 -10.304 1.00 0.00 C ATOM 300 CZ PHE A 19 -8.633 2.984 -9.915 1.00 0.00 C ATOM 0 H PHE A 19 -11.405 1.042 -8.176 1.00 0.00 H new ATOM 0 HA PHE A 19 -11.667 -1.911 -8.099 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -9.872 -1.657 -9.933 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -11.412 -0.910 -10.307 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -7.985 -0.227 -9.000 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -11.622 1.478 -10.525 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -6.883 1.992 -9.152 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -10.521 3.695 -10.666 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.155 3.951 -9.976 1.00 0.00 H new ATOM 310 N GLY A 20 -9.761 -0.835 -6.095 1.00 0.00 N ATOM 311 CA GLY A 20 -8.553 -1.044 -5.245 1.00 0.00 C ATOM 312 C GLY A 20 -8.428 0.062 -4.191 1.00 0.00 C ATOM 313 O GLY A 20 -9.402 0.603 -3.712 1.00 0.00 O ATOM 0 H GLY A 20 -10.534 -0.341 -5.650 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -8.613 -2.015 -4.754 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -7.661 -1.058 -5.871 1.00 0.00 H new ATOM 317 N ALA A 21 -7.220 0.396 -3.826 1.00 0.00 N ATOM 318 CA ALA A 21 -7.002 1.458 -2.810 1.00 0.00 C ATOM 319 C ALA A 21 -5.618 2.058 -3.015 1.00 0.00 C ATOM 320 O ALA A 21 -4.705 1.389 -3.442 1.00 0.00 O ATOM 321 CB ALA A 21 -7.066 0.856 -1.406 1.00 0.00 C ATOM 0 H ALA A 21 -6.368 -0.028 -4.194 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.772 2.222 -2.917 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.905 1.640 -0.666 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.045 0.404 -1.248 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.293 0.094 -1.301 1.00 0.00 H new ATOM 327 N PHE A 22 -5.458 3.313 -2.718 1.00 0.00 N ATOM 328 CA PHE A 22 -4.135 3.964 -2.883 1.00 0.00 C ATOM 329 C PHE A 22 -3.533 4.217 -1.498 1.00 0.00 C ATOM 330 O PHE A 22 -4.229 4.216 -0.502 1.00 0.00 O ATOM 331 CB PHE A 22 -4.322 5.290 -3.620 1.00 0.00 C ATOM 332 CG PHE A 22 -4.606 5.031 -5.084 1.00 0.00 C ATOM 333 CD1 PHE A 22 -4.722 3.716 -5.565 1.00 0.00 C ATOM 334 CD2 PHE A 22 -4.742 6.108 -5.963 1.00 0.00 C ATOM 335 CE1 PHE A 22 -4.973 3.484 -6.920 1.00 0.00 C ATOM 336 CE2 PHE A 22 -4.990 5.876 -7.322 1.00 0.00 C ATOM 337 CZ PHE A 22 -5.106 4.563 -7.798 1.00 0.00 C ATOM 0 H PHE A 22 -6.196 3.922 -2.364 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.466 3.324 -3.458 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.144 5.850 -3.175 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -3.426 5.902 -3.517 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -4.617 2.883 -4.886 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -4.656 7.120 -5.595 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.064 2.473 -7.288 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -5.092 6.708 -8.003 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.299 4.385 -8.846 1.00 0.00 H new ATOM 347 N VAL A 23 -2.249 4.422 -1.422 1.00 0.00 N ATOM 348 CA VAL A 23 -1.616 4.662 -0.095 1.00 0.00 C ATOM 349 C VAL A 23 -0.399 5.579 -0.267 1.00 0.00 C ATOM 350 O VAL A 23 0.112 5.746 -1.357 1.00 0.00 O ATOM 351 CB VAL A 23 -1.189 3.314 0.498 1.00 0.00 C ATOM 352 CG1 VAL A 23 -0.179 3.534 1.622 1.00 0.00 C ATOM 353 CG2 VAL A 23 -2.420 2.596 1.061 1.00 0.00 C ATOM 0 H VAL A 23 -1.611 4.434 -2.218 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.324 5.145 0.579 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.730 2.709 -0.284 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.119 2.571 2.037 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.699 4.046 1.227 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.632 4.142 2.405 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.120 1.637 1.484 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.875 3.209 1.839 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.142 2.430 0.261 1.00 0.00 H new ATOM 363 N ALA A 24 0.066 6.181 0.797 1.00 0.00 N ATOM 364 CA ALA A 24 1.244 7.089 0.682 1.00 0.00 C ATOM 365 C ALA A 24 2.251 6.780 1.801 1.00 0.00 C ATOM 366 O ALA A 24 1.877 6.430 2.899 1.00 0.00 O ATOM 367 CB ALA A 24 0.776 8.543 0.796 1.00 0.00 C ATOM 0 H ALA A 24 -0.318 6.083 1.737 1.00 0.00 H new ATOM 0 HA ALA A 24 1.727 6.936 -0.283 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.635 9.209 0.712 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.068 8.761 -0.004 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.292 8.695 1.761 1.00 0.00 H new ATOM 373 N ILE A 25 3.525 6.906 1.530 1.00 0.00 N ATOM 374 CA ILE A 25 4.553 6.618 2.573 1.00 0.00 C ATOM 375 C ILE A 25 5.388 7.876 2.820 1.00 0.00 C ATOM 376 O ILE A 25 5.535 8.708 1.948 1.00 0.00 O ATOM 377 CB ILE A 25 5.480 5.503 2.081 1.00 0.00 C ATOM 378 CG1 ILE A 25 5.736 5.686 0.584 1.00 0.00 C ATOM 379 CG2 ILE A 25 4.838 4.139 2.325 1.00 0.00 C ATOM 380 CD1 ILE A 25 6.744 4.641 0.106 1.00 0.00 C ATOM 0 H ILE A 25 3.898 7.197 0.627 1.00 0.00 H new ATOM 0 HA ILE A 25 4.057 6.310 3.494 1.00 0.00 H new ATOM 0 HB ILE A 25 6.422 5.553 2.627 1.00 0.00 H new ATOM 0 HG12 ILE A 25 4.803 5.586 0.030 1.00 0.00 H new ATOM 0 HG13 ILE A 25 6.116 6.689 0.389 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.506 3.354 1.971 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.657 4.008 3.392 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.892 4.080 1.786 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.926 4.772 -0.961 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.680 4.762 0.651 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.346 3.642 0.286 1.00 0.00 H new ATOM 413 N LYS A 29 7.349 9.576 -1.400 1.00 0.00 N ATOM 414 CA LYS A 29 6.927 8.365 -2.162 1.00 0.00 C ATOM 415 C LYS A 29 5.542 7.914 -1.692 1.00 0.00 C ATOM 416 O LYS A 29 5.119 8.219 -0.593 1.00 0.00 O ATOM 417 CB LYS A 29 7.937 7.240 -1.932 1.00 0.00 C ATOM 418 CG LYS A 29 9.244 7.574 -2.653 1.00 0.00 C ATOM 419 CD LYS A 29 9.411 6.654 -3.863 1.00 0.00 C ATOM 420 CE LYS A 29 10.385 5.527 -3.517 1.00 0.00 C ATOM 421 NZ LYS A 29 10.842 4.864 -4.771 1.00 0.00 N ATOM 0 HA LYS A 29 6.885 8.605 -3.224 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.120 7.113 -0.865 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.536 6.296 -2.301 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.239 8.616 -2.973 1.00 0.00 H new ATOM 0 HG3 LYS A 29 10.087 7.454 -1.973 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.446 6.239 -4.153 1.00 0.00 H new ATOM 0 HD3 LYS A 29 9.783 7.221 -4.716 1.00 0.00 H new ATOM 0 HE2 LYS A 29 11.240 5.926 -2.971 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.901 4.801 -2.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 11.505 4.097 -4.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.021 4.471 -5.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 11.319 5.561 -5.378 1.00 0.00 H new ATOM 435 N GLU A 30 4.828 7.190 -2.515 1.00 0.00 N ATOM 436 CA GLU A 30 3.472 6.730 -2.103 1.00 0.00 C ATOM 437 C GLU A 30 3.300 5.240 -2.402 1.00 0.00 C ATOM 438 O GLU A 30 3.889 4.703 -3.319 1.00 0.00 O ATOM 439 CB GLU A 30 2.405 7.523 -2.859 1.00 0.00 C ATOM 440 CG GLU A 30 2.383 7.082 -4.324 1.00 0.00 C ATOM 441 CD GLU A 30 1.130 6.244 -4.588 1.00 0.00 C ATOM 442 OE1 GLU A 30 0.056 6.820 -4.641 1.00 0.00 O ATOM 443 OE2 GLU A 30 1.267 5.040 -4.732 1.00 0.00 O ATOM 0 H GLU A 30 5.124 6.900 -3.447 1.00 0.00 H new ATOM 0 HA GLU A 30 3.361 6.893 -1.031 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.427 7.362 -2.405 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.615 8.591 -2.793 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.394 7.954 -4.977 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.276 6.501 -4.553 1.00 0.00 H new ATOM 450 N GLY A 31 2.479 4.575 -1.635 1.00 0.00 N ATOM 451 CA GLY A 31 2.239 3.122 -1.864 1.00 0.00 C ATOM 452 C GLY A 31 0.869 2.948 -2.518 1.00 0.00 C ATOM 453 O GLY A 31 0.202 3.912 -2.835 1.00 0.00 O ATOM 0 H GLY A 31 1.961 4.979 -0.855 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.018 2.707 -2.503 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.278 2.579 -0.920 1.00 0.00 H new ATOM 457 N LEU A 32 0.432 1.735 -2.723 1.00 0.00 N ATOM 458 CA LEU A 32 -0.903 1.540 -3.354 1.00 0.00 C ATOM 459 C LEU A 32 -1.553 0.251 -2.856 1.00 0.00 C ATOM 460 O LEU A 32 -1.037 -0.832 -3.047 1.00 0.00 O ATOM 461 CB LEU A 32 -0.764 1.448 -4.870 1.00 0.00 C ATOM 462 CG LEU A 32 -2.129 1.741 -5.487 1.00 0.00 C ATOM 463 CD1 LEU A 32 -2.079 3.081 -6.200 1.00 0.00 C ATOM 464 CD2 LEU A 32 -2.508 0.647 -6.484 1.00 0.00 C ATOM 0 H LEU A 32 0.935 0.880 -2.484 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.524 2.394 -3.084 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.022 2.162 -5.229 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.419 0.456 -5.162 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.878 1.769 -4.696 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.052 3.294 -6.642 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.826 3.864 -5.485 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.323 3.048 -6.985 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.484 0.870 -6.915 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.762 0.603 -7.277 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.549 -0.314 -5.971 1.00 0.00 H new ATOM 476 N VAL A 33 -2.702 0.357 -2.255 1.00 0.00 N ATOM 477 CA VAL A 33 -3.409 -0.859 -1.790 1.00 0.00 C ATOM 478 C VAL A 33 -4.380 -1.288 -2.887 1.00 0.00 C ATOM 479 O VAL A 33 -5.580 -1.335 -2.691 1.00 0.00 O ATOM 480 CB VAL A 33 -4.190 -0.540 -0.517 1.00 0.00 C ATOM 481 CG1 VAL A 33 -5.015 -1.758 -0.102 1.00 0.00 C ATOM 482 CG2 VAL A 33 -3.214 -0.177 0.602 1.00 0.00 C ATOM 0 H VAL A 33 -3.182 1.237 -2.066 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.696 -1.656 -1.578 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.858 0.301 -0.703 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.571 -1.528 0.807 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.712 -2.014 -0.900 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.350 -2.602 0.083 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.771 0.051 1.511 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.545 -1.017 0.788 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.630 0.694 0.307 1.00 0.00 H new ATOM 492 N HIS A 34 -3.883 -1.585 -4.054 1.00 0.00 N ATOM 493 CA HIS A 34 -4.799 -1.996 -5.147 1.00 0.00 C ATOM 494 C HIS A 34 -5.765 -3.051 -4.597 1.00 0.00 C ATOM 495 O HIS A 34 -5.496 -3.690 -3.600 1.00 0.00 O ATOM 496 CB HIS A 34 -3.996 -2.581 -6.308 1.00 0.00 C ATOM 497 CG HIS A 34 -4.822 -2.513 -7.563 1.00 0.00 C ATOM 498 ND1 HIS A 34 -5.104 -3.636 -8.323 1.00 0.00 N ATOM 499 CD2 HIS A 34 -5.440 -1.463 -8.200 1.00 0.00 C ATOM 500 CE1 HIS A 34 -5.861 -3.242 -9.364 1.00 0.00 C ATOM 501 NE2 HIS A 34 -6.096 -1.927 -9.336 1.00 0.00 N ATOM 0 H HIS A 34 -2.892 -1.561 -4.295 1.00 0.00 H new ATOM 0 HA HIS A 34 -5.356 -1.133 -5.512 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -3.067 -2.027 -6.439 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -3.723 -3.614 -6.093 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -5.419 -0.435 -7.869 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -6.233 -3.908 -10.129 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -6.640 -1.381 -10.004 1.00 0.00 H new ATOM 509 N ILE A 35 -6.891 -3.230 -5.227 1.00 0.00 N ATOM 510 CA ILE A 35 -7.879 -4.229 -4.733 1.00 0.00 C ATOM 511 C ILE A 35 -7.178 -5.557 -4.432 1.00 0.00 C ATOM 512 O ILE A 35 -7.309 -6.105 -3.356 1.00 0.00 O ATOM 513 CB ILE A 35 -8.955 -4.440 -5.802 1.00 0.00 C ATOM 514 CG1 ILE A 35 -9.822 -5.645 -5.428 1.00 0.00 C ATOM 515 CG2 ILE A 35 -8.288 -4.695 -7.155 1.00 0.00 C ATOM 516 CD1 ILE A 35 -10.719 -5.280 -4.244 1.00 0.00 C ATOM 0 H ILE A 35 -7.171 -2.725 -6.068 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.339 -3.861 -3.816 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.580 -3.549 -5.865 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -10.431 -5.947 -6.280 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.190 -6.495 -5.171 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -9.054 -4.845 -7.916 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.672 -3.837 -7.425 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.662 -5.585 -7.090 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -11.337 -6.138 -3.977 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -10.100 -4.999 -3.392 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -11.360 -4.442 -4.518 1.00 0.00 H new ATOM 528 N SER A 36 -6.444 -6.086 -5.373 1.00 0.00 N ATOM 529 CA SER A 36 -5.745 -7.385 -5.134 1.00 0.00 C ATOM 530 C SER A 36 -4.440 -7.155 -4.360 1.00 0.00 C ATOM 531 O SER A 36 -3.436 -7.782 -4.633 1.00 0.00 O ATOM 532 CB SER A 36 -5.427 -8.045 -6.477 1.00 0.00 C ATOM 533 OG SER A 36 -5.854 -7.196 -7.534 1.00 0.00 O ATOM 0 H SER A 36 -6.297 -5.677 -6.296 1.00 0.00 H new ATOM 0 HA SER A 36 -6.396 -8.033 -4.546 1.00 0.00 H new ATOM 0 HB2 SER A 36 -4.356 -8.234 -6.557 1.00 0.00 H new ATOM 0 HB3 SER A 36 -5.927 -9.011 -6.547 1.00 0.00 H new ATOM 0 HG SER A 36 -5.649 -7.617 -8.395 1.00 0.00 H new ATOM 539 N GLN A 37 -4.437 -6.266 -3.402 1.00 0.00 N ATOM 540 CA GLN A 37 -3.186 -6.012 -2.628 1.00 0.00 C ATOM 541 C GLN A 37 -3.537 -5.702 -1.169 1.00 0.00 C ATOM 542 O GLN A 37 -3.090 -4.717 -0.616 1.00 0.00 O ATOM 543 CB GLN A 37 -2.453 -4.804 -3.222 1.00 0.00 C ATOM 544 CG GLN A 37 -2.191 -5.030 -4.713 1.00 0.00 C ATOM 545 CD GLN A 37 -0.981 -5.947 -4.883 1.00 0.00 C ATOM 546 OE1 GLN A 37 -1.120 -7.090 -5.270 1.00 0.00 O ATOM 547 NE2 GLN A 37 0.211 -5.492 -4.607 1.00 0.00 N ATOM 0 H GLN A 37 -5.243 -5.707 -3.123 1.00 0.00 H new ATOM 0 HA GLN A 37 -2.551 -6.897 -2.678 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -3.049 -3.902 -3.082 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.510 -4.647 -2.699 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.067 -5.475 -5.184 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.011 -4.077 -5.210 1.00 0.00 H new ATOM 0 HE21 GLN A 37 0.328 -4.532 -4.282 1.00 0.00 H new ATOM 0 HE22 GLN A 37 1.025 -6.096 -4.716 1.00 0.00 H new ATOM 556 N ILE A 38 -4.339 -6.520 -0.535 1.00 0.00 N ATOM 557 CA ILE A 38 -4.703 -6.231 0.882 1.00 0.00 C ATOM 558 C ILE A 38 -4.264 -7.378 1.798 1.00 0.00 C ATOM 559 O ILE A 38 -3.119 -7.467 2.194 1.00 0.00 O ATOM 560 CB ILE A 38 -6.215 -6.033 1.009 1.00 0.00 C ATOM 561 CG1 ILE A 38 -6.626 -4.721 0.340 1.00 0.00 C ATOM 562 CG2 ILE A 38 -6.588 -5.977 2.491 1.00 0.00 C ATOM 563 CD1 ILE A 38 -6.275 -4.774 -1.145 1.00 0.00 C ATOM 0 H ILE A 38 -4.752 -7.364 -0.932 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.189 -5.318 1.184 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.730 -6.862 0.523 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -7.696 -4.556 0.466 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -6.116 -3.883 0.815 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -7.664 -5.836 2.590 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.298 -6.910 2.975 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -6.068 -5.145 2.966 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -6.568 -3.839 -1.622 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -5.201 -4.919 -1.260 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -6.805 -5.602 -1.615 1.00 0.00 H new ATOM 575 N ALA A 39 -5.173 -8.242 2.158 1.00 0.00 N ATOM 576 CA ALA A 39 -4.822 -9.363 3.071 1.00 0.00 C ATOM 577 C ALA A 39 -4.892 -10.697 2.324 1.00 0.00 C ATOM 578 O ALA A 39 -4.686 -10.765 1.129 1.00 0.00 O ATOM 579 CB ALA A 39 -5.811 -9.383 4.238 1.00 0.00 C ATOM 0 H ALA A 39 -6.147 -8.218 1.857 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.807 -9.220 3.442 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -5.561 -10.202 4.913 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.755 -8.438 4.778 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.822 -9.523 3.856 1.00 0.00 H new ATOM 643 N VAL A 43 -10.374 -9.386 -0.505 1.00 0.00 N ATOM 644 CA VAL A 43 -10.983 -8.154 0.058 1.00 0.00 C ATOM 645 C VAL A 43 -11.998 -7.613 -0.947 1.00 0.00 C ATOM 646 O VAL A 43 -11.750 -6.650 -1.645 1.00 0.00 O ATOM 647 CB VAL A 43 -9.890 -7.111 0.323 1.00 0.00 C ATOM 648 CG1 VAL A 43 -10.522 -5.732 0.511 1.00 0.00 C ATOM 649 CG2 VAL A 43 -9.126 -7.491 1.593 1.00 0.00 C ATOM 0 HA VAL A 43 -11.483 -8.377 1.001 1.00 0.00 H new ATOM 0 HB VAL A 43 -9.208 -7.083 -0.527 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -9.740 -4.996 0.699 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -11.070 -5.457 -0.390 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -11.207 -5.758 1.359 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -8.348 -6.752 1.785 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -9.815 -7.520 2.437 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.670 -8.472 1.463 1.00 0.00 H new ATOM 659 N GLU A 44 -13.144 -8.234 -1.029 1.00 0.00 N ATOM 660 CA GLU A 44 -14.181 -7.768 -1.990 1.00 0.00 C ATOM 661 C GLU A 44 -14.339 -6.250 -1.883 1.00 0.00 C ATOM 662 O GLU A 44 -14.810 -5.602 -2.797 1.00 0.00 O ATOM 663 CB GLU A 44 -15.515 -8.440 -1.660 1.00 0.00 C ATOM 664 CG GLU A 44 -15.404 -9.946 -1.908 1.00 0.00 C ATOM 665 CD GLU A 44 -16.683 -10.637 -1.428 1.00 0.00 C ATOM 666 OE1 GLU A 44 -16.809 -10.841 -0.232 1.00 0.00 O ATOM 667 OE2 GLU A 44 -17.514 -10.950 -2.265 1.00 0.00 O ATOM 0 H GLU A 44 -13.406 -9.046 -0.470 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.878 -8.029 -3.004 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -15.782 -8.251 -0.620 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -16.309 -8.017 -2.275 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -15.249 -10.140 -2.969 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -14.540 -10.350 -1.381 1.00 0.00 H new ATOM 674 N LYS A 45 -13.955 -5.675 -0.777 1.00 0.00 N ATOM 675 CA LYS A 45 -14.094 -4.198 -0.626 1.00 0.00 C ATOM 676 C LYS A 45 -12.758 -3.592 -0.187 1.00 0.00 C ATOM 677 O LYS A 45 -12.251 -3.887 0.876 1.00 0.00 O ATOM 678 CB LYS A 45 -15.162 -3.891 0.425 1.00 0.00 C ATOM 679 CG LYS A 45 -16.470 -3.507 -0.272 1.00 0.00 C ATOM 680 CD LYS A 45 -17.194 -4.772 -0.738 1.00 0.00 C ATOM 681 CE LYS A 45 -17.916 -4.490 -2.056 1.00 0.00 C ATOM 682 NZ LYS A 45 -18.214 -5.778 -2.745 1.00 0.00 N ATOM 0 H LYS A 45 -13.553 -6.160 0.025 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.387 -3.766 -1.583 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -15.319 -4.760 1.063 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -14.829 -3.078 1.070 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -17.105 -2.943 0.411 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -16.263 -2.859 -1.124 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -16.480 -5.585 -0.869 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -17.909 -5.094 0.019 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -18.840 -3.944 -1.867 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -17.298 -3.859 -2.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -18.764 -5.591 -3.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -17.323 -6.250 -2.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -18.763 -6.392 -2.110 1.00 0.00 H new ATOM 696 N VAL A 46 -12.189 -2.736 -0.994 1.00 0.00 N ATOM 697 CA VAL A 46 -10.886 -2.101 -0.613 1.00 0.00 C ATOM 698 C VAL A 46 -11.159 -0.996 0.405 1.00 0.00 C ATOM 699 O VAL A 46 -10.315 -0.657 1.216 1.00 0.00 O ATOM 700 CB VAL A 46 -10.166 -1.503 -1.838 1.00 0.00 C ATOM 701 CG1 VAL A 46 -8.802 -2.180 -2.004 1.00 0.00 C ATOM 702 CG2 VAL A 46 -10.987 -1.713 -3.114 1.00 0.00 C ATOM 0 H VAL A 46 -12.565 -2.448 -1.897 1.00 0.00 H new ATOM 0 HA VAL A 46 -10.238 -2.867 -0.187 1.00 0.00 H new ATOM 0 HB VAL A 46 -10.041 -0.432 -1.675 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -8.290 -1.759 -2.870 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -8.201 -2.012 -1.110 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.943 -3.251 -2.151 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -10.457 -1.282 -3.963 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -11.133 -2.780 -3.281 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -11.957 -1.227 -3.007 1.00 0.00 H new ATOM 712 N THR A 47 -12.339 -0.443 0.382 1.00 0.00 N ATOM 713 CA THR A 47 -12.680 0.628 1.356 1.00 0.00 C ATOM 714 C THR A 47 -12.975 -0.004 2.722 1.00 0.00 C ATOM 715 O THR A 47 -13.336 0.672 3.664 1.00 0.00 O ATOM 716 CB THR A 47 -13.915 1.392 0.869 1.00 0.00 C ATOM 717 OG1 THR A 47 -14.990 0.482 0.683 1.00 0.00 O ATOM 718 CG2 THR A 47 -13.598 2.089 -0.456 1.00 0.00 C ATOM 0 H THR A 47 -13.083 -0.688 -0.271 1.00 0.00 H new ATOM 0 HA THR A 47 -11.841 1.318 1.446 1.00 0.00 H new ATOM 0 HB THR A 47 -14.196 2.140 1.611 1.00 0.00 H new ATOM 0 HG1 THR A 47 -15.782 0.970 0.373 1.00 0.00 H new ATOM 0 HG21 THR A 47 -14.478 2.632 -0.801 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.774 2.788 -0.312 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.316 1.344 -1.200 1.00 0.00 H new ATOM 726 N ASP A 48 -12.815 -1.296 2.836 1.00 0.00 N ATOM 727 CA ASP A 48 -13.073 -1.972 4.138 1.00 0.00 C ATOM 728 C ASP A 48 -11.733 -2.251 4.807 1.00 0.00 C ATOM 729 O ASP A 48 -11.635 -2.377 6.012 1.00 0.00 O ATOM 730 CB ASP A 48 -13.804 -3.293 3.896 1.00 0.00 C ATOM 731 CG ASP A 48 -15.246 -3.011 3.474 1.00 0.00 C ATOM 732 OD1 ASP A 48 -15.672 -1.878 3.618 1.00 0.00 O ATOM 733 OD2 ASP A 48 -15.900 -3.933 3.014 1.00 0.00 O ATOM 0 H ASP A 48 -12.516 -1.913 2.081 1.00 0.00 H new ATOM 0 HA ASP A 48 -13.689 -1.336 4.774 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -13.293 -3.866 3.122 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -13.791 -3.899 4.802 1.00 0.00 H new ATOM 738 N TYR A 49 -10.696 -2.343 4.025 1.00 0.00 N ATOM 739 CA TYR A 49 -9.351 -2.607 4.592 1.00 0.00 C ATOM 740 C TYR A 49 -8.582 -1.290 4.671 1.00 0.00 C ATOM 741 O TYR A 49 -7.698 -1.123 5.488 1.00 0.00 O ATOM 742 CB TYR A 49 -8.611 -3.592 3.691 1.00 0.00 C ATOM 743 CG TYR A 49 -9.263 -4.945 3.818 1.00 0.00 C ATOM 744 CD1 TYR A 49 -10.552 -5.147 3.313 1.00 0.00 C ATOM 745 CD2 TYR A 49 -8.584 -5.995 4.448 1.00 0.00 C ATOM 746 CE1 TYR A 49 -11.164 -6.400 3.437 1.00 0.00 C ATOM 747 CE2 TYR A 49 -9.197 -7.245 4.573 1.00 0.00 C ATOM 748 CZ TYR A 49 -10.486 -7.448 4.068 1.00 0.00 C ATOM 749 OH TYR A 49 -11.089 -8.681 4.195 1.00 0.00 O ATOM 0 H TYR A 49 -10.725 -2.246 3.010 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.440 -3.035 5.590 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -8.641 -3.253 2.655 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.561 -3.650 3.977 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -11.075 -4.336 2.827 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -7.588 -5.839 4.837 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -12.158 -6.557 3.046 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -8.675 -8.055 5.060 1.00 0.00 H new ATOM 0 HH TYR A 49 -10.481 -9.296 4.656 1.00 0.00 H new ATOM 759 N LEU A 50 -8.918 -0.345 3.833 1.00 0.00 N ATOM 760 CA LEU A 50 -8.210 0.966 3.872 1.00 0.00 C ATOM 761 C LEU A 50 -9.168 2.045 4.373 1.00 0.00 C ATOM 762 O LEU A 50 -10.341 2.049 4.057 1.00 0.00 O ATOM 763 CB LEU A 50 -7.728 1.349 2.462 1.00 0.00 C ATOM 764 CG LEU A 50 -6.307 0.827 2.148 1.00 0.00 C ATOM 765 CD1 LEU A 50 -5.507 1.954 1.495 1.00 0.00 C ATOM 766 CD2 LEU A 50 -5.566 0.370 3.412 1.00 0.00 C ATOM 0 H LEU A 50 -9.649 -0.425 3.126 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.353 0.884 4.540 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.426 0.952 1.725 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -7.741 2.434 2.362 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.403 -0.033 1.485 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.501 1.601 1.267 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.000 2.264 0.574 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.448 2.802 2.178 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.573 0.012 3.142 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.474 1.208 4.103 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.124 -0.435 3.890 1.00 0.00 H new ATOM 778 N GLN A 51 -8.669 2.968 5.148 1.00 0.00 N ATOM 779 CA GLN A 51 -9.535 4.061 5.670 1.00 0.00 C ATOM 780 C GLN A 51 -8.737 5.365 5.673 1.00 0.00 C ATOM 781 O GLN A 51 -7.604 5.403 6.101 1.00 0.00 O ATOM 782 CB GLN A 51 -9.977 3.723 7.094 1.00 0.00 C ATOM 783 CG GLN A 51 -11.354 4.335 7.360 1.00 0.00 C ATOM 784 CD GLN A 51 -11.193 5.815 7.709 1.00 0.00 C ATOM 785 OE1 GLN A 51 -11.794 6.667 7.086 1.00 0.00 O ATOM 786 NE2 GLN A 51 -10.400 6.159 8.687 1.00 0.00 N ATOM 0 H GLN A 51 -7.694 3.012 5.443 1.00 0.00 H new ATOM 0 HA GLN A 51 -10.417 4.172 5.039 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -10.016 2.642 7.227 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -9.252 4.107 7.812 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -11.989 4.224 6.481 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -11.846 3.809 8.178 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -9.895 5.443 9.210 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -10.285 7.143 8.928 1.00 0.00 H new ATOM 795 N MET A 52 -9.311 6.431 5.189 1.00 0.00 N ATOM 796 CA MET A 52 -8.572 7.726 5.158 1.00 0.00 C ATOM 797 C MET A 52 -8.067 8.077 6.561 1.00 0.00 C ATOM 798 O MET A 52 -8.789 8.624 7.371 1.00 0.00 O ATOM 799 CB MET A 52 -9.509 8.832 4.665 1.00 0.00 C ATOM 800 CG MET A 52 -9.262 9.084 3.177 1.00 0.00 C ATOM 801 SD MET A 52 -10.029 10.653 2.694 1.00 0.00 S ATOM 802 CE MET A 52 -11.697 10.015 2.401 1.00 0.00 C ATOM 0 H MET A 52 -10.259 6.463 4.814 1.00 0.00 H new ATOM 0 HA MET A 52 -7.720 7.635 4.485 1.00 0.00 H new ATOM 0 HB2 MET A 52 -10.547 8.543 4.828 1.00 0.00 H new ATOM 0 HB3 MET A 52 -9.339 9.747 5.233 1.00 0.00 H new ATOM 0 HG2 MET A 52 -8.191 9.113 2.975 1.00 0.00 H new ATOM 0 HG3 MET A 52 -9.676 8.267 2.585 1.00 0.00 H new ATOM 0 HE1 MET A 52 -12.349 10.831 2.087 1.00 0.00 H new ATOM 0 HE2 MET A 52 -11.664 9.256 1.620 1.00 0.00 H new ATOM 0 HE3 MET A 52 -12.084 9.574 3.319 1.00 0.00 H new ATOM 812 N GLY A 53 -6.827 7.780 6.853 1.00 0.00 N ATOM 813 CA GLY A 53 -6.281 8.114 8.201 1.00 0.00 C ATOM 814 C GLY A 53 -5.619 6.883 8.826 1.00 0.00 C ATOM 815 O GLY A 53 -4.623 6.987 9.516 1.00 0.00 O ATOM 0 H GLY A 53 -6.172 7.323 6.219 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -5.555 8.922 8.117 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.083 8.472 8.847 1.00 0.00 H new ATOM 819 N GLN A 54 -6.162 5.719 8.599 1.00 0.00 N ATOM 820 CA GLN A 54 -5.564 4.489 9.188 1.00 0.00 C ATOM 821 C GLN A 54 -4.107 4.358 8.739 1.00 0.00 C ATOM 822 O GLN A 54 -3.684 4.975 7.783 1.00 0.00 O ATOM 823 CB GLN A 54 -6.355 3.267 8.721 1.00 0.00 C ATOM 824 CG GLN A 54 -7.449 2.949 9.743 1.00 0.00 C ATOM 825 CD GLN A 54 -6.935 1.898 10.729 1.00 0.00 C ATOM 826 OE1 GLN A 54 -5.761 1.589 10.749 1.00 0.00 O ATOM 827 NE2 GLN A 54 -7.773 1.333 11.554 1.00 0.00 N ATOM 0 H GLN A 54 -6.995 5.567 8.030 1.00 0.00 H new ATOM 0 HA GLN A 54 -5.600 4.553 10.275 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -6.799 3.459 7.744 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.690 2.411 8.606 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -7.737 3.854 10.277 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -8.341 2.581 9.235 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -8.759 1.593 11.537 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -7.442 0.631 12.216 1.00 0.00 H new ATOM 836 N GLU A 55 -3.340 3.554 9.423 1.00 0.00 N ATOM 837 CA GLU A 55 -1.913 3.375 9.040 1.00 0.00 C ATOM 838 C GLU A 55 -1.551 1.893 9.130 1.00 0.00 C ATOM 839 O GLU A 55 -1.745 1.259 10.149 1.00 0.00 O ATOM 840 CB GLU A 55 -1.022 4.175 9.995 1.00 0.00 C ATOM 841 CG GLU A 55 -0.515 5.436 9.293 1.00 0.00 C ATOM 842 CD GLU A 55 -1.540 6.562 9.452 1.00 0.00 C ATOM 843 OE1 GLU A 55 -1.630 7.102 10.542 1.00 0.00 O ATOM 844 OE2 GLU A 55 -2.213 6.866 8.482 1.00 0.00 O ATOM 0 H GLU A 55 -3.642 3.012 10.233 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.761 3.730 8.021 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.583 4.446 10.890 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.180 3.564 10.319 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.442 5.740 9.717 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.345 5.232 8.236 1.00 0.00 H new ATOM 851 N VAL A 56 -1.029 1.329 8.075 1.00 0.00 N ATOM 852 CA VAL A 56 -0.664 -0.113 8.115 1.00 0.00 C ATOM 853 C VAL A 56 0.769 -0.295 7.604 1.00 0.00 C ATOM 854 O VAL A 56 1.166 0.337 6.646 1.00 0.00 O ATOM 855 CB VAL A 56 -1.625 -0.907 7.229 1.00 0.00 C ATOM 856 CG1 VAL A 56 -3.012 -0.928 7.870 1.00 0.00 C ATOM 857 CG2 VAL A 56 -1.711 -0.247 5.849 1.00 0.00 C ATOM 0 H VAL A 56 -0.841 1.803 7.192 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.731 -0.475 9.141 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.259 -1.928 7.122 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.696 -1.494 7.238 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.952 -1.398 8.852 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.378 0.093 7.978 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.396 -0.813 5.217 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.076 0.774 5.956 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.722 -0.233 5.390 1.00 0.00 H new ATOM 867 N PRO A 57 1.505 -1.157 8.262 1.00 0.00 N ATOM 868 CA PRO A 57 2.902 -1.447 7.896 1.00 0.00 C ATOM 869 C PRO A 57 2.952 -2.391 6.690 1.00 0.00 C ATOM 870 O PRO A 57 2.244 -3.379 6.629 1.00 0.00 O ATOM 871 CB PRO A 57 3.466 -2.125 9.147 1.00 0.00 C ATOM 872 CG PRO A 57 2.253 -2.691 9.924 1.00 0.00 C ATOM 873 CD PRO A 57 1.016 -1.920 9.430 1.00 0.00 C ATOM 0 HA PRO A 57 3.466 -0.559 7.609 1.00 0.00 H new ATOM 0 HB2 PRO A 57 4.160 -2.921 8.877 1.00 0.00 H new ATOM 0 HB3 PRO A 57 4.020 -1.413 9.758 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.141 -3.760 9.743 1.00 0.00 H new ATOM 0 HG3 PRO A 57 2.386 -2.562 10.998 1.00 0.00 H new ATOM 0 HD2 PRO A 57 0.209 -2.598 9.153 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.625 -1.258 10.203 1.00 0.00 H new ATOM 881 N VAL A 58 3.778 -2.093 5.727 1.00 0.00 N ATOM 882 CA VAL A 58 3.869 -2.973 4.528 1.00 0.00 C ATOM 883 C VAL A 58 5.330 -3.365 4.282 1.00 0.00 C ATOM 884 O VAL A 58 6.226 -2.952 4.994 1.00 0.00 O ATOM 885 CB VAL A 58 3.297 -2.238 3.302 1.00 0.00 C ATOM 886 CG1 VAL A 58 2.186 -1.286 3.752 1.00 0.00 C ATOM 887 CG2 VAL A 58 4.395 -1.431 2.600 1.00 0.00 C ATOM 0 H VAL A 58 4.393 -1.280 5.718 1.00 0.00 H new ATOM 0 HA VAL A 58 3.288 -3.879 4.698 1.00 0.00 H new ATOM 0 HB VAL A 58 2.899 -2.976 2.606 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.780 -0.765 2.885 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.393 -1.855 4.237 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.593 -0.559 4.455 1.00 0.00 H new ATOM 0 HG21 VAL A 58 3.973 -0.918 1.736 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.806 -0.697 3.293 1.00 0.00 H new ATOM 0 HG23 VAL A 58 5.187 -2.104 2.272 1.00 0.00 H new ATOM 897 N LYS A 59 5.571 -4.152 3.271 1.00 0.00 N ATOM 898 CA LYS A 59 6.964 -4.574 2.958 1.00 0.00 C ATOM 899 C LYS A 59 7.344 -4.038 1.579 1.00 0.00 C ATOM 900 O LYS A 59 6.691 -4.322 0.593 1.00 0.00 O ATOM 901 CB LYS A 59 7.043 -6.102 2.950 1.00 0.00 C ATOM 902 CG LYS A 59 7.742 -6.588 4.220 1.00 0.00 C ATOM 903 CD LYS A 59 6.967 -7.770 4.807 1.00 0.00 C ATOM 904 CE LYS A 59 7.679 -9.077 4.451 1.00 0.00 C ATOM 905 NZ LYS A 59 6.968 -9.736 3.320 1.00 0.00 N ATOM 0 H LYS A 59 4.857 -4.523 2.644 1.00 0.00 H new ATOM 0 HA LYS A 59 7.649 -4.181 3.710 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.041 -6.527 2.889 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.588 -6.443 2.070 1.00 0.00 H new ATOM 0 HG2 LYS A 59 8.765 -6.887 3.993 1.00 0.00 H new ATOM 0 HG3 LYS A 59 7.800 -5.779 4.948 1.00 0.00 H new ATOM 0 HD2 LYS A 59 6.893 -7.668 5.890 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.949 -7.780 4.417 1.00 0.00 H new ATOM 0 HE2 LYS A 59 8.715 -8.877 4.177 1.00 0.00 H new ATOM 0 HE3 LYS A 59 7.701 -9.739 5.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.451 -10.624 3.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.987 -9.940 3.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.969 -9.104 2.494 1.00 0.00 H new ATOM 919 N VAL A 60 8.391 -3.265 1.496 1.00 0.00 N ATOM 920 CA VAL A 60 8.802 -2.714 0.174 1.00 0.00 C ATOM 921 C VAL A 60 8.950 -3.857 -0.833 1.00 0.00 C ATOM 922 O VAL A 60 9.983 -4.490 -0.924 1.00 0.00 O ATOM 923 CB VAL A 60 10.136 -1.977 0.319 1.00 0.00 C ATOM 924 CG1 VAL A 60 10.584 -1.455 -1.046 1.00 0.00 C ATOM 925 CG2 VAL A 60 9.962 -0.799 1.280 1.00 0.00 C ATOM 0 H VAL A 60 8.978 -2.991 2.284 1.00 0.00 H new ATOM 0 HA VAL A 60 8.043 -2.017 -0.181 1.00 0.00 H new ATOM 0 HB VAL A 60 10.888 -2.662 0.710 1.00 0.00 H new ATOM 0 HG11 VAL A 60 11.534 -0.931 -0.941 1.00 0.00 H new ATOM 0 HG12 VAL A 60 10.706 -2.292 -1.734 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.832 -0.770 -1.438 1.00 0.00 H new ATOM 0 HG21 VAL A 60 10.910 -0.272 1.385 1.00 0.00 H new ATOM 0 HG22 VAL A 60 9.209 -0.116 0.886 1.00 0.00 H new ATOM 0 HG23 VAL A 60 9.642 -1.168 2.254 1.00 0.00 H new ATOM 1112 N LEU A 71 4.411 -1.961 -2.992 1.00 0.00 N ATOM 1113 CA LEU A 71 4.475 -2.246 -1.532 1.00 0.00 C ATOM 1114 C LEU A 71 3.630 -3.487 -1.233 1.00 0.00 C ATOM 1115 O LEU A 71 2.723 -3.821 -1.970 1.00 0.00 O ATOM 1116 CB LEU A 71 3.932 -1.048 -0.754 1.00 0.00 C ATOM 1117 CG LEU A 71 4.933 0.105 -0.840 1.00 0.00 C ATOM 1118 CD1 LEU A 71 4.327 1.360 -0.211 1.00 0.00 C ATOM 1119 CD2 LEU A 71 6.211 -0.272 -0.088 1.00 0.00 C ATOM 0 HA LEU A 71 5.508 -2.425 -1.232 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.969 -0.740 -1.162 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.764 -1.322 0.287 1.00 0.00 H new ATOM 0 HG LEU A 71 5.168 0.301 -1.886 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.042 2.180 -0.274 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.416 1.631 -0.745 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.090 1.165 0.835 1.00 0.00 H new ATOM 0 HD21 LEU A 71 6.925 0.549 -0.149 1.00 0.00 H new ATOM 0 HD22 LEU A 71 5.973 -0.469 0.957 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.647 -1.165 -0.536 1.00 0.00 H new ATOM 1131 N SER A 72 3.926 -4.183 -0.170 1.00 0.00 N ATOM 1132 CA SER A 72 3.141 -5.409 0.150 1.00 0.00 C ATOM 1133 C SER A 72 2.494 -5.282 1.534 1.00 0.00 C ATOM 1134 O SER A 72 3.112 -5.544 2.546 1.00 0.00 O ATOM 1135 CB SER A 72 4.073 -6.614 0.129 1.00 0.00 C ATOM 1136 OG SER A 72 3.671 -7.501 -0.908 1.00 0.00 O ATOM 0 H SER A 72 4.673 -3.958 0.487 1.00 0.00 H new ATOM 0 HA SER A 72 2.353 -5.535 -0.592 1.00 0.00 H new ATOM 0 HB2 SER A 72 5.101 -6.290 -0.032 1.00 0.00 H new ATOM 0 HB3 SER A 72 4.047 -7.125 1.091 1.00 0.00 H new ATOM 0 HG SER A 72 4.270 -8.277 -0.925 1.00 0.00 H new ATOM 1142 N ILE A 73 1.248 -4.892 1.581 1.00 0.00 N ATOM 1143 CA ILE A 73 0.549 -4.754 2.894 1.00 0.00 C ATOM 1144 C ILE A 73 0.906 -5.957 3.783 1.00 0.00 C ATOM 1145 O ILE A 73 0.701 -7.096 3.414 1.00 0.00 O ATOM 1146 CB ILE A 73 -0.975 -4.668 2.638 1.00 0.00 C ATOM 1147 CG1 ILE A 73 -1.446 -3.241 2.927 1.00 0.00 C ATOM 1148 CG2 ILE A 73 -1.761 -5.643 3.528 1.00 0.00 C ATOM 1149 CD1 ILE A 73 -2.943 -3.125 2.634 1.00 0.00 C ATOM 0 H ILE A 73 0.682 -4.662 0.764 1.00 0.00 H new ATOM 0 HA ILE A 73 0.864 -3.847 3.410 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.159 -4.938 1.598 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.248 -2.986 3.968 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.889 -2.532 2.314 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.826 -5.550 3.317 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.438 -6.664 3.323 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.577 -5.407 4.576 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.276 -2.108 2.840 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.128 -3.362 1.586 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.493 -3.822 3.266 1.00 0.00 H new ATOM 1161 N LYS A 74 1.445 -5.709 4.948 1.00 0.00 N ATOM 1162 CA LYS A 74 1.820 -6.835 5.851 1.00 0.00 C ATOM 1163 C LYS A 74 0.557 -7.546 6.344 1.00 0.00 C ATOM 1164 O LYS A 74 -0.543 -7.055 6.192 1.00 0.00 O ATOM 1165 CB LYS A 74 2.596 -6.291 7.052 1.00 0.00 C ATOM 1166 CG LYS A 74 3.728 -7.255 7.408 1.00 0.00 C ATOM 1167 CD LYS A 74 3.991 -7.203 8.913 1.00 0.00 C ATOM 1168 CE LYS A 74 5.498 -7.134 9.166 1.00 0.00 C ATOM 1169 NZ LYS A 74 6.110 -8.460 8.870 1.00 0.00 N ATOM 0 H LYS A 74 1.641 -4.777 5.312 1.00 0.00 H new ATOM 0 HA LYS A 74 2.443 -7.542 5.302 1.00 0.00 H new ATOM 0 HB2 LYS A 74 3.002 -5.306 6.820 1.00 0.00 H new ATOM 0 HB3 LYS A 74 1.928 -6.168 7.904 1.00 0.00 H new ATOM 0 HG2 LYS A 74 3.463 -8.269 7.110 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.632 -6.988 6.861 1.00 0.00 H new ATOM 0 HD2 LYS A 74 3.498 -6.334 9.349 1.00 0.00 H new ATOM 0 HD3 LYS A 74 3.570 -8.084 9.397 1.00 0.00 H new ATOM 0 HE2 LYS A 74 5.949 -6.365 8.539 1.00 0.00 H new ATOM 0 HE3 LYS A 74 5.692 -6.855 10.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.129 -8.425 9.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.663 -9.189 9.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 5.965 -8.693 7.867 1.00 0.00 H new