USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 482 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 10 LYS NZ :NH3+ 170:sc= 0.802 (180deg=0.564) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.268 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 CYS SG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -4.32 K(o=-4.3,f=-7.3!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= -0.474 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.0961 K(o=-0.096,f=-2.9!) USER MOD Single : A 106 GLN : amide:sc= -0.211 K(o=-0.21,f=-2.8!) USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=-0.0057) USER MOD Single : A 108 SER OG : rot -99:sc= 0.469 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.0289 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0.155 USER MOD Single : A 115 SER OG : rot -150:sc= -1.54 USER MOD Single : A 117 MET CE :methyl -159:sc= -1.74 (180deg=-2.02!) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 69 N PRO A 9 -11.275 -12.107 5.697 1.00 0.00 N ATOM 70 CA PRO A 9 -10.142 -11.200 5.776 1.00 0.00 C ATOM 71 C PRO A 9 -9.324 -11.453 7.043 1.00 0.00 C ATOM 72 O PRO A 9 -9.780 -12.147 7.951 1.00 0.00 O ATOM 73 CB PRO A 9 -10.748 -9.808 5.727 1.00 0.00 C ATOM 74 CG PRO A 9 -12.215 -9.977 6.090 1.00 0.00 C ATOM 75 CD PRO A 9 -12.547 -11.458 6.006 1.00 0.00 C ATOM 0 HA PRO A 9 -9.434 -11.340 4.959 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -10.247 -9.139 6.427 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -10.639 -9.370 4.735 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -12.406 -9.599 7.094 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -12.845 -9.405 5.409 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -12.961 -11.825 6.945 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -13.290 -11.654 5.233 1.00 0.00 H new ATOM 80 N LYS A 10 -8.133 -10.874 7.066 1.00 0.00 N ATOM 81 CA LYS A 10 -7.249 -11.027 8.208 1.00 0.00 C ATOM 82 C LYS A 10 -6.815 -9.645 8.702 1.00 0.00 C ATOM 83 O LYS A 10 -6.193 -8.885 7.961 1.00 0.00 O ATOM 84 CB LYS A 10 -6.079 -11.949 7.860 1.00 0.00 C ATOM 85 CG LYS A 10 -4.804 -11.144 7.600 1.00 0.00 C ATOM 86 CD LYS A 10 -3.604 -12.071 7.392 1.00 0.00 C ATOM 87 CE LYS A 10 -2.352 -11.505 8.068 1.00 0.00 C ATOM 88 NZ LYS A 10 -1.496 -12.602 8.573 1.00 0.00 N ATOM 0 H LYS A 10 -7.760 -10.298 6.312 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.773 -11.511 9.032 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.910 -12.651 8.676 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.327 -12.539 6.978 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.939 -10.515 6.720 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.612 -10.478 8.441 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.827 -13.058 7.798 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.420 -12.200 6.325 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.792 -10.896 7.358 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.640 -10.852 8.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.579 -12.216 8.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.961 -13.061 9.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.346 -13.301 7.818 1.00 0.00 H new ATOM 98 N THR A 11 -7.163 -9.361 9.949 1.00 0.00 N ATOM 99 CA THR A 11 -6.818 -8.083 10.549 1.00 0.00 C ATOM 100 C THR A 11 -5.542 -8.214 11.382 1.00 0.00 C ATOM 101 O THR A 11 -5.429 -9.110 12.217 1.00 0.00 O ATOM 102 CB THR A 11 -8.023 -7.600 11.357 1.00 0.00 C ATOM 103 OG1 THR A 11 -9.100 -7.629 10.423 1.00 0.00 O ATOM 104 CG2 THR A 11 -7.912 -6.126 11.752 1.00 0.00 C ATOM 0 H THR A 11 -7.680 -9.994 10.560 1.00 0.00 H new ATOM 0 HA THR A 11 -6.598 -7.335 9.788 1.00 0.00 H new ATOM 0 HB THR A 11 -8.125 -8.209 12.255 1.00 0.00 H new ATOM 0 HG1 THR A 11 -9.923 -7.332 10.864 1.00 0.00 H new ATOM 0 HG21 THR A 11 -8.793 -5.835 12.324 1.00 0.00 H new ATOM 0 HG22 THR A 11 -7.020 -5.979 12.361 1.00 0.00 H new ATOM 0 HG23 THR A 11 -7.844 -5.513 10.854 1.00 0.00 H new ATOM 112 N VAL A 12 -4.611 -7.305 11.127 1.00 0.00 N ATOM 113 CA VAL A 12 -3.347 -7.307 11.843 1.00 0.00 C ATOM 114 C VAL A 12 -3.097 -5.916 12.430 1.00 0.00 C ATOM 115 O VAL A 12 -3.403 -4.907 11.797 1.00 0.00 O ATOM 116 CB VAL A 12 -2.223 -7.777 10.919 1.00 0.00 C ATOM 117 CG1 VAL A 12 -2.148 -9.305 10.880 1.00 0.00 C ATOM 118 CG2 VAL A 12 -2.392 -7.200 9.513 1.00 0.00 C ATOM 0 H VAL A 12 -4.708 -6.562 10.434 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.380 -8.010 12.675 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.281 -7.406 11.322 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.341 -9.613 10.216 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.957 -9.686 11.883 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.093 -9.706 10.513 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.580 -7.550 8.876 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.345 -7.527 9.098 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.372 -6.111 9.562 1.00 0.00 H new ATOM 128 N THR A 13 -2.541 -5.908 13.633 1.00 0.00 N ATOM 129 CA THR A 13 -2.245 -4.657 14.311 1.00 0.00 C ATOM 130 C THR A 13 -0.733 -4.430 14.377 1.00 0.00 C ATOM 131 O THR A 13 0.038 -5.384 14.473 1.00 0.00 O ATOM 132 CB THR A 13 -2.915 -4.696 15.687 1.00 0.00 C ATOM 133 OG1 THR A 13 -4.280 -4.986 15.400 1.00 0.00 O ATOM 134 CG2 THR A 13 -2.958 -3.321 16.356 1.00 0.00 C ATOM 0 H THR A 13 -2.288 -6.747 14.155 1.00 0.00 H new ATOM 0 HA THR A 13 -2.645 -3.805 13.762 1.00 0.00 H new ATOM 0 HB THR A 13 -2.382 -5.396 16.331 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.788 -5.031 16.237 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.443 -3.405 17.329 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.942 -2.949 16.488 1.00 0.00 H new ATOM 0 HG23 THR A 13 -3.520 -2.629 15.729 1.00 0.00 H new ATOM 142 N LEU A 14 -0.354 -3.161 14.324 1.00 0.00 N ATOM 143 CA LEU A 14 1.051 -2.797 14.376 1.00 0.00 C ATOM 144 C LEU A 14 1.238 -1.646 15.364 1.00 0.00 C ATOM 145 O LEU A 14 0.284 -0.945 15.695 1.00 0.00 O ATOM 146 CB LEU A 14 1.579 -2.495 12.971 1.00 0.00 C ATOM 147 CG LEU A 14 1.621 -3.677 12.002 1.00 0.00 C ATOM 148 CD1 LEU A 14 0.274 -3.859 11.300 1.00 0.00 C ATOM 149 CD2 LEU A 14 2.772 -3.525 11.005 1.00 0.00 C ATOM 0 H LEU A 14 -0.996 -2.372 14.246 1.00 0.00 H new ATOM 0 HA LEU A 14 1.648 -3.632 14.742 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.960 -1.713 12.532 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.587 -2.090 13.062 1.00 0.00 H new ATOM 0 HG LEU A 14 1.809 -4.584 12.576 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.331 -4.706 10.617 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.502 -4.044 12.043 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.031 -2.956 10.739 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.781 -4.378 10.327 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.638 -2.607 10.432 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.718 -3.481 11.545 1.00 0.00 H new ATOM 160 N LYS A 15 2.476 -1.486 15.810 1.00 0.00 N ATOM 161 CA LYS A 15 2.801 -0.431 16.756 1.00 0.00 C ATOM 162 C LYS A 15 3.999 0.363 16.234 1.00 0.00 C ATOM 163 O LYS A 15 5.073 -0.196 16.017 1.00 0.00 O ATOM 164 CB LYS A 15 3.012 -1.013 18.155 1.00 0.00 C ATOM 165 CG LYS A 15 1.750 -1.723 18.649 1.00 0.00 C ATOM 166 CD LYS A 15 1.583 -1.556 20.161 1.00 0.00 C ATOM 167 CE LYS A 15 1.204 -2.883 20.821 1.00 0.00 C ATOM 168 NZ LYS A 15 1.184 -2.742 22.295 1.00 0.00 N ATOM 0 H LYS A 15 3.266 -2.069 15.534 1.00 0.00 H new ATOM 0 HA LYS A 15 1.970 0.268 16.848 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.846 -1.715 18.139 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.280 -0.215 18.848 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.877 -1.319 18.136 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.804 -2.783 18.400 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.511 -1.183 20.594 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.814 -0.811 20.365 1.00 0.00 H new ATOM 0 HE2 LYS A 15 0.225 -3.205 20.467 1.00 0.00 H new ATOM 0 HE3 LYS A 15 1.917 -3.656 20.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 0.925 -3.652 22.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.126 -2.456 22.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 0.487 -2.019 22.565 1.00 0.00 H new ATOM 178 N ARG A 16 3.775 1.657 16.046 1.00 0.00 N ATOM 179 CA ARG A 16 4.822 2.533 15.552 1.00 0.00 C ATOM 180 C ARG A 16 6.172 2.143 16.160 1.00 0.00 C ATOM 181 O ARG A 16 6.387 2.308 17.359 1.00 0.00 O ATOM 182 CB ARG A 16 4.522 3.995 15.893 1.00 0.00 C ATOM 183 CG ARG A 16 5.626 4.917 15.373 1.00 0.00 C ATOM 184 CD ARG A 16 5.036 6.097 14.598 1.00 0.00 C ATOM 185 NE ARG A 16 5.943 7.264 14.683 1.00 0.00 N ATOM 186 CZ ARG A 16 5.771 8.401 13.996 1.00 0.00 C ATOM 187 NH1 ARG A 16 4.725 8.531 13.169 1.00 0.00 N ATOM 188 NH2 ARG A 16 6.645 9.407 14.136 1.00 0.00 N ATOM 0 H ARG A 16 2.883 2.118 16.227 1.00 0.00 H new ATOM 0 HA ARG A 16 4.862 2.424 14.468 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.566 4.285 15.457 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.427 4.108 16.973 1.00 0.00 H new ATOM 0 HG2 ARG A 16 6.219 5.287 16.209 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.301 4.354 14.728 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.885 5.819 13.555 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.058 6.356 15.003 1.00 0.00 H new ATOM 0 HE ARG A 16 6.750 7.198 15.304 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.060 7.765 13.063 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.593 9.396 12.645 1.00 0.00 H new ATOM 0 HH21 ARG A 16 7.441 9.307 14.766 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.514 10.273 13.613 1.00 0.00 H new ATOM 264 N GLY A 22 7.655 -2.072 10.596 1.00 0.00 N ATOM 265 CA GLY A 22 8.454 -3.185 10.113 1.00 0.00 C ATOM 266 C GLY A 22 8.251 -3.397 8.612 1.00 0.00 C ATOM 267 O GLY A 22 9.091 -2.997 7.806 1.00 0.00 O ATOM 0 HA2 GLY A 22 9.508 -2.996 10.318 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.182 -4.093 10.652 1.00 0.00 H new ATOM 271 N PHE A 23 7.131 -4.023 8.281 1.00 0.00 N ATOM 272 CA PHE A 23 6.807 -4.292 6.890 1.00 0.00 C ATOM 273 C PHE A 23 6.923 -3.022 6.045 1.00 0.00 C ATOM 274 O PHE A 23 7.112 -1.931 6.581 1.00 0.00 O ATOM 275 CB PHE A 23 5.359 -4.783 6.856 1.00 0.00 C ATOM 276 CG PHE A 23 4.319 -3.661 6.905 1.00 0.00 C ATOM 277 CD1 PHE A 23 4.126 -2.964 8.057 1.00 0.00 C ATOM 278 CD2 PHE A 23 3.590 -3.362 5.797 1.00 0.00 C ATOM 279 CE1 PHE A 23 3.161 -1.924 8.103 1.00 0.00 C ATOM 280 CE2 PHE A 23 2.625 -2.322 5.843 1.00 0.00 C ATOM 281 CZ PHE A 23 2.431 -1.623 6.994 1.00 0.00 C ATOM 0 H PHE A 23 6.437 -4.352 8.952 1.00 0.00 H new ATOM 0 HA PHE A 23 7.497 -5.031 6.483 1.00 0.00 H new ATOM 0 HB2 PHE A 23 5.206 -5.367 5.949 1.00 0.00 H new ATOM 0 HB3 PHE A 23 5.194 -5.454 7.699 1.00 0.00 H new ATOM 0 HD1 PHE A 23 4.707 -3.202 8.936 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.745 -3.915 4.883 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.006 -1.371 9.018 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.044 -2.085 4.964 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.699 -0.830 7.028 1.00 0.00 H new ATOM 290 N THR A 24 6.802 -3.205 4.739 1.00 0.00 N ATOM 291 CA THR A 24 6.890 -2.087 3.814 1.00 0.00 C ATOM 292 C THR A 24 6.202 -2.433 2.492 1.00 0.00 C ATOM 293 O THR A 24 5.996 -3.606 2.185 1.00 0.00 O ATOM 294 CB THR A 24 8.367 -1.722 3.654 1.00 0.00 C ATOM 295 OG1 THR A 24 8.422 -1.040 2.404 1.00 0.00 O ATOM 296 CG2 THR A 24 9.255 -2.951 3.448 1.00 0.00 C ATOM 0 H THR A 24 6.644 -4.111 4.298 1.00 0.00 H new ATOM 0 HA THR A 24 6.364 -1.213 4.198 1.00 0.00 H new ATOM 0 HB THR A 24 8.703 -1.175 4.535 1.00 0.00 H new ATOM 0 HG1 THR A 24 9.345 -0.766 2.221 1.00 0.00 H new ATOM 0 HG21 THR A 24 10.293 -2.636 3.340 1.00 0.00 H new ATOM 0 HG22 THR A 24 9.165 -3.614 4.309 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.941 -3.480 2.548 1.00 0.00 H new ATOM 304 N LEU A 25 5.867 -1.391 1.746 1.00 0.00 N ATOM 305 CA LEU A 25 5.207 -1.570 0.464 1.00 0.00 C ATOM 306 C LEU A 25 6.172 -1.186 -0.659 1.00 0.00 C ATOM 307 O LEU A 25 7.286 -0.733 -0.399 1.00 0.00 O ATOM 308 CB LEU A 25 3.886 -0.798 0.431 1.00 0.00 C ATOM 309 CG LEU A 25 2.991 -0.948 1.661 1.00 0.00 C ATOM 310 CD1 LEU A 25 2.984 -2.393 2.163 1.00 0.00 C ATOM 311 CD2 LEU A 25 3.398 0.039 2.758 1.00 0.00 C ATOM 0 H LEU A 25 6.040 -0.420 2.005 1.00 0.00 H new ATOM 0 HA LEU A 25 4.943 -2.617 0.313 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.110 0.260 0.296 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.322 -1.119 -0.445 1.00 0.00 H new ATOM 0 HG LEU A 25 1.969 -0.705 1.371 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.339 -2.471 3.039 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.610 -3.049 1.377 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.998 -2.690 2.431 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.746 -0.088 3.622 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.431 -0.149 3.052 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.308 1.058 2.382 1.00 0.00 H new ATOM 322 N ARG A 26 5.711 -1.381 -1.886 1.00 0.00 N ATOM 323 CA ARG A 26 6.519 -1.062 -3.050 1.00 0.00 C ATOM 324 C ARG A 26 5.846 0.035 -3.878 1.00 0.00 C ATOM 325 O ARG A 26 4.681 0.361 -3.654 1.00 0.00 O ATOM 326 CB ARG A 26 6.732 -2.296 -3.927 1.00 0.00 C ATOM 327 CG ARG A 26 8.157 -2.335 -4.483 1.00 0.00 C ATOM 328 CD ARG A 26 8.578 -3.769 -4.812 1.00 0.00 C ATOM 329 NE ARG A 26 10.041 -3.829 -5.034 1.00 0.00 N ATOM 330 CZ ARG A 26 10.737 -4.968 -5.147 1.00 0.00 C ATOM 331 NH1 ARG A 26 10.109 -6.149 -5.060 1.00 0.00 N ATOM 332 NH2 ARG A 26 12.060 -4.926 -5.347 1.00 0.00 N ATOM 0 H ARG A 26 4.787 -1.756 -2.099 1.00 0.00 H new ATOM 0 HA ARG A 26 7.488 -0.711 -2.696 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.540 -3.197 -3.345 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.017 -2.290 -4.750 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.218 -1.719 -5.380 1.00 0.00 H new ATOM 0 HG3 ARG A 26 8.847 -1.907 -3.755 1.00 0.00 H new ATOM 0 HD2 ARG A 26 8.298 -4.435 -3.996 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.052 -4.116 -5.702 1.00 0.00 H new ATOM 0 HE ARG A 26 10.550 -2.948 -5.105 1.00 0.00 H new ATOM 0 HH11 ARG A 26 9.101 -6.181 -4.908 1.00 0.00 H new ATOM 0 HH12 ARG A 26 10.639 -7.016 -5.146 1.00 0.00 H new ATOM 0 HH21 ARG A 26 12.537 -4.027 -5.413 1.00 0.00 H new ATOM 0 HH22 ARG A 26 12.591 -5.793 -5.433 1.00 0.00 H new ATOM 862 N ILE A 63 -2.154 -3.143 -3.357 1.00 0.00 N ATOM 863 CA ILE A 63 -0.976 -2.993 -2.519 1.00 0.00 C ATOM 864 C ILE A 63 -0.423 -4.376 -2.169 1.00 0.00 C ATOM 865 O ILE A 63 -1.186 -5.301 -1.893 1.00 0.00 O ATOM 866 CB ILE A 63 -1.293 -2.129 -1.297 1.00 0.00 C ATOM 867 CG1 ILE A 63 -1.569 -0.681 -1.705 1.00 0.00 C ATOM 868 CG2 ILE A 63 -0.180 -2.228 -0.251 1.00 0.00 C ATOM 869 CD1 ILE A 63 -3.002 -0.275 -1.350 1.00 0.00 C ATOM 0 HA ILE A 63 -0.191 -2.464 -3.059 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.203 -2.512 -0.836 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.864 -0.017 -1.204 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.409 -0.565 -2.777 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.431 -1.604 0.607 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.075 -3.264 0.072 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.759 -1.886 -0.686 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.172 0.759 -1.651 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.704 -0.925 -1.872 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.151 -0.369 -0.274 1.00 0.00 H new ATOM 880 N PHE A 64 0.897 -4.475 -2.190 1.00 0.00 N ATOM 881 CA PHE A 64 1.559 -5.730 -1.879 1.00 0.00 C ATOM 882 C PHE A 64 2.749 -5.504 -0.943 1.00 0.00 C ATOM 883 O PHE A 64 3.496 -4.539 -1.104 1.00 0.00 O ATOM 884 CB PHE A 64 2.068 -6.308 -3.201 1.00 0.00 C ATOM 885 CG PHE A 64 0.985 -6.986 -4.041 1.00 0.00 C ATOM 886 CD1 PHE A 64 0.055 -6.234 -4.688 1.00 0.00 C ATOM 887 CD2 PHE A 64 0.951 -8.342 -4.140 1.00 0.00 C ATOM 888 CE1 PHE A 64 -0.950 -6.863 -5.468 1.00 0.00 C ATOM 889 CE2 PHE A 64 -0.055 -8.972 -4.920 1.00 0.00 C ATOM 890 CZ PHE A 64 -0.984 -8.219 -5.568 1.00 0.00 C ATOM 0 H PHE A 64 1.527 -3.706 -2.418 1.00 0.00 H new ATOM 0 HA PHE A 64 0.862 -6.405 -1.382 1.00 0.00 H new ATOM 0 HB2 PHE A 64 2.519 -5.507 -3.786 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.856 -7.031 -2.990 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.081 -5.157 -4.608 1.00 0.00 H new ATOM 0 HD2 PHE A 64 1.689 -8.940 -3.626 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.688 -6.265 -5.982 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.082 -10.049 -4.999 1.00 0.00 H new ATOM 0 HZ PHE A 64 -1.749 -8.698 -6.162 1.00 0.00 H new ATOM 899 N VAL A 65 2.889 -6.409 0.014 1.00 0.00 N ATOM 900 CA VAL A 65 3.974 -6.321 0.975 1.00 0.00 C ATOM 901 C VAL A 65 5.307 -6.526 0.251 1.00 0.00 C ATOM 902 O VAL A 65 5.418 -7.385 -0.621 1.00 0.00 O ATOM 903 CB VAL A 65 3.751 -7.321 2.111 1.00 0.00 C ATOM 904 CG1 VAL A 65 5.018 -7.492 2.950 1.00 0.00 C ATOM 905 CG2 VAL A 65 2.566 -6.903 2.984 1.00 0.00 C ATOM 0 H VAL A 65 2.268 -7.208 0.144 1.00 0.00 H new ATOM 0 HA VAL A 65 4.000 -5.332 1.432 1.00 0.00 H new ATOM 0 HB VAL A 65 3.514 -8.287 1.665 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.831 -8.208 3.750 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.827 -7.858 2.317 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.301 -6.532 3.381 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.429 -7.631 3.784 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.761 -5.921 3.416 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.663 -6.859 2.375 1.00 0.00 H new ATOM 915 N LYS A 66 6.285 -5.722 0.643 1.00 0.00 N ATOM 916 CA LYS A 66 7.607 -5.804 0.043 1.00 0.00 C ATOM 917 C LYS A 66 8.487 -6.733 0.883 1.00 0.00 C ATOM 918 O LYS A 66 9.056 -7.691 0.364 1.00 0.00 O ATOM 919 CB LYS A 66 8.196 -4.404 -0.149 1.00 0.00 C ATOM 920 CG LYS A 66 9.625 -4.481 -0.690 1.00 0.00 C ATOM 921 CD LYS A 66 10.626 -3.932 0.328 1.00 0.00 C ATOM 922 CE LYS A 66 11.698 -3.083 -0.359 1.00 0.00 C ATOM 923 NZ LYS A 66 12.931 -3.874 -0.566 1.00 0.00 N ATOM 0 H LYS A 66 6.189 -5.011 1.368 1.00 0.00 H new ATOM 0 HA LYS A 66 7.547 -6.238 -0.955 1.00 0.00 H new ATOM 0 HB2 LYS A 66 7.572 -3.834 -0.838 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.191 -3.870 0.801 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.873 -5.516 -0.928 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.697 -3.915 -1.619 1.00 0.00 H new ATOM 0 HD2 LYS A 66 10.102 -3.331 1.071 1.00 0.00 H new ATOM 0 HD3 LYS A 66 11.097 -4.758 0.861 1.00 0.00 H new ATOM 0 HE2 LYS A 66 11.325 -2.722 -1.318 1.00 0.00 H new ATOM 0 HE3 LYS A 66 11.920 -2.205 0.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 13.648 -3.283 -1.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 13.294 -4.198 0.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 12.719 -4.698 -1.164 1.00 0.00 H new ATOM 933 N GLN A 67 8.571 -6.414 2.167 1.00 0.00 N ATOM 934 CA GLN A 67 9.372 -7.205 3.083 1.00 0.00 C ATOM 935 C GLN A 67 8.800 -7.119 4.499 1.00 0.00 C ATOM 936 O GLN A 67 7.884 -6.340 4.756 1.00 0.00 O ATOM 937 CB GLN A 67 10.837 -6.763 3.055 1.00 0.00 C ATOM 938 CG GLN A 67 11.625 -7.542 2.001 1.00 0.00 C ATOM 939 CD GLN A 67 12.945 -8.062 2.575 1.00 0.00 C ATOM 940 OE1 GLN A 67 13.060 -9.197 3.004 1.00 0.00 O ATOM 941 NE2 GLN A 67 13.930 -7.168 2.560 1.00 0.00 N ATOM 0 H GLN A 67 8.097 -5.618 2.593 1.00 0.00 H new ATOM 0 HA GLN A 67 9.335 -8.245 2.760 1.00 0.00 H new ATOM 0 HB2 GLN A 67 10.894 -5.696 2.842 1.00 0.00 H new ATOM 0 HB3 GLN A 67 11.286 -6.916 4.036 1.00 0.00 H new ATOM 0 HG2 GLN A 67 11.027 -8.379 1.640 1.00 0.00 H new ATOM 0 HG3 GLN A 67 11.825 -6.900 1.143 1.00 0.00 H new ATOM 0 HE21 GLN A 67 13.765 -6.234 2.186 1.00 0.00 H new ATOM 0 HE22 GLN A 67 14.850 -7.417 2.923 1.00 0.00 H new ATOM 948 N VAL A 68 9.364 -7.931 5.382 1.00 0.00 N ATOM 949 CA VAL A 68 8.922 -7.955 6.765 1.00 0.00 C ATOM 950 C VAL A 68 10.140 -7.879 7.687 1.00 0.00 C ATOM 951 O VAL A 68 11.077 -8.662 7.549 1.00 0.00 O ATOM 952 CB VAL A 68 8.058 -9.193 7.017 1.00 0.00 C ATOM 953 CG1 VAL A 68 7.698 -9.318 8.499 1.00 0.00 C ATOM 954 CG2 VAL A 68 6.800 -9.170 6.146 1.00 0.00 C ATOM 0 H VAL A 68 10.123 -8.577 5.166 1.00 0.00 H new ATOM 0 HA VAL A 68 8.297 -7.089 6.981 1.00 0.00 H new ATOM 0 HB VAL A 68 8.641 -10.071 6.739 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.084 -10.206 8.651 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.610 -9.403 9.089 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.143 -8.435 8.814 1.00 0.00 H new ATOM 0 HG21 VAL A 68 6.204 -10.061 6.344 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.213 -8.281 6.378 1.00 0.00 H new ATOM 0 HG23 VAL A 68 7.086 -9.152 5.094 1.00 0.00 H new ATOM 964 N LYS A 69 10.086 -6.927 8.609 1.00 0.00 N ATOM 965 CA LYS A 69 11.174 -6.738 9.553 1.00 0.00 C ATOM 966 C LYS A 69 11.210 -7.919 10.526 1.00 0.00 C ATOM 967 O LYS A 69 10.288 -8.104 11.319 1.00 0.00 O ATOM 968 CB LYS A 69 11.054 -5.378 10.243 1.00 0.00 C ATOM 969 CG LYS A 69 11.622 -5.430 11.663 1.00 0.00 C ATOM 970 CD LYS A 69 13.130 -5.686 11.640 1.00 0.00 C ATOM 971 CE LYS A 69 13.729 -5.559 13.042 1.00 0.00 C ATOM 972 NZ LYS A 69 15.202 -5.700 12.991 1.00 0.00 N ATOM 0 H LYS A 69 9.306 -6.279 8.721 1.00 0.00 H new ATOM 0 HA LYS A 69 12.132 -6.723 9.032 1.00 0.00 H new ATOM 0 HB2 LYS A 69 11.585 -4.624 9.663 1.00 0.00 H new ATOM 0 HB3 LYS A 69 10.008 -5.075 10.277 1.00 0.00 H new ATOM 0 HG2 LYS A 69 11.417 -4.490 12.175 1.00 0.00 H new ATOM 0 HG3 LYS A 69 11.124 -6.217 12.229 1.00 0.00 H new ATOM 0 HD2 LYS A 69 13.327 -6.683 11.245 1.00 0.00 H new ATOM 0 HD3 LYS A 69 13.613 -4.976 10.969 1.00 0.00 H new ATOM 0 HE2 LYS A 69 13.465 -4.592 13.471 1.00 0.00 H new ATOM 0 HE3 LYS A 69 13.307 -6.323 13.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 15.593 -5.611 13.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 15.448 -6.632 12.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 15.601 -4.955 12.385 1.00 0.00 H new ATOM 982 N GLU A 70 12.285 -8.687 10.432 1.00 0.00 N ATOM 983 CA GLU A 70 12.453 -9.846 11.293 1.00 0.00 C ATOM 984 C GLU A 70 12.606 -9.405 12.752 1.00 0.00 C ATOM 985 O GLU A 70 13.716 -9.137 13.209 1.00 0.00 O ATOM 986 CB GLU A 70 13.649 -10.691 10.849 1.00 0.00 C ATOM 987 CG GLU A 70 13.596 -12.088 11.470 1.00 0.00 C ATOM 988 CD GLU A 70 14.512 -13.058 10.723 1.00 0.00 C ATOM 989 OE1 GLU A 70 15.708 -13.100 11.084 1.00 0.00 O ATOM 990 OE2 GLU A 70 13.997 -13.733 9.806 1.00 0.00 O ATOM 0 H GLU A 70 13.048 -8.530 9.774 1.00 0.00 H new ATOM 0 HA GLU A 70 11.561 -10.467 11.212 1.00 0.00 H new ATOM 0 HB2 GLU A 70 13.657 -10.773 9.762 1.00 0.00 H new ATOM 0 HB3 GLU A 70 14.576 -10.196 11.138 1.00 0.00 H new ATOM 0 HG2 GLU A 70 13.894 -12.035 12.517 1.00 0.00 H new ATOM 0 HG3 GLU A 70 12.572 -12.460 11.448 1.00 0.00 H new ATOM 995 N GLY A 71 11.475 -9.345 13.440 1.00 0.00 N ATOM 996 CA GLY A 71 11.468 -8.943 14.836 1.00 0.00 C ATOM 997 C GLY A 71 10.774 -7.592 15.012 1.00 0.00 C ATOM 998 O GLY A 71 11.083 -6.847 15.941 1.00 0.00 O ATOM 0 H GLY A 71 10.557 -9.568 13.056 1.00 0.00 H new ATOM 0 HA2 GLY A 71 10.958 -9.699 15.434 1.00 0.00 H new ATOM 0 HA3 GLY A 71 12.491 -8.881 15.206 1.00 0.00 H new ATOM 1002 N GLY A 72 9.847 -7.315 14.106 1.00 0.00 N ATOM 1003 CA GLY A 72 9.104 -6.066 14.152 1.00 0.00 C ATOM 1004 C GLY A 72 7.642 -6.311 14.529 1.00 0.00 C ATOM 1005 O GLY A 72 7.306 -7.357 15.082 1.00 0.00 O ATOM 0 H GLY A 72 9.593 -7.934 13.336 1.00 0.00 H new ATOM 0 HA2 GLY A 72 9.562 -5.393 14.877 1.00 0.00 H new ATOM 0 HA3 GLY A 72 9.155 -5.572 13.182 1.00 0.00 H new ATOM 1009 N PRO A 73 6.789 -5.302 14.206 1.00 0.00 N ATOM 1010 CA PRO A 73 5.370 -5.397 14.506 1.00 0.00 C ATOM 1011 C PRO A 73 4.668 -6.349 13.534 1.00 0.00 C ATOM 1012 O PRO A 73 4.123 -7.372 13.947 1.00 0.00 O ATOM 1013 CB PRO A 73 4.853 -3.972 14.417 1.00 0.00 C ATOM 1014 CG PRO A 73 5.894 -3.199 13.621 1.00 0.00 C ATOM 1015 CD PRO A 73 7.151 -4.050 13.549 1.00 0.00 C ATOM 0 HA PRO A 73 5.176 -5.816 15.493 1.00 0.00 H new ATOM 0 HB2 PRO A 73 3.881 -3.939 13.924 1.00 0.00 H new ATOM 0 HB3 PRO A 73 4.722 -3.542 15.410 1.00 0.00 H new ATOM 0 HG2 PRO A 73 5.524 -2.980 12.620 1.00 0.00 H new ATOM 0 HG3 PRO A 73 6.107 -2.243 14.099 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.456 -4.219 12.516 1.00 0.00 H new ATOM 0 HD3 PRO A 73 7.987 -3.565 14.054 1.00 0.00 H new ATOM 1020 N ALA A 74 4.704 -5.979 12.263 1.00 0.00 N ATOM 1021 CA ALA A 74 4.077 -6.787 11.230 1.00 0.00 C ATOM 1022 C ALA A 74 4.432 -8.258 11.453 1.00 0.00 C ATOM 1023 O ALA A 74 3.551 -9.114 11.495 1.00 0.00 O ATOM 1024 CB ALA A 74 4.514 -6.284 9.853 1.00 0.00 C ATOM 0 H ALA A 74 5.157 -5.130 11.924 1.00 0.00 H new ATOM 0 HA ALA A 74 2.992 -6.699 11.280 1.00 0.00 H new ATOM 0 HB1 ALA A 74 4.044 -6.890 9.078 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.212 -5.244 9.733 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.598 -6.360 9.765 1.00 0.00 H new ATOM 1030 N PHE A 75 5.727 -8.506 11.590 1.00 0.00 N ATOM 1031 CA PHE A 75 6.210 -9.859 11.809 1.00 0.00 C ATOM 1032 C PHE A 75 5.412 -10.555 12.914 1.00 0.00 C ATOM 1033 O PHE A 75 4.992 -11.700 12.754 1.00 0.00 O ATOM 1034 CB PHE A 75 7.672 -9.747 12.247 1.00 0.00 C ATOM 1035 CG PHE A 75 8.232 -11.022 12.880 1.00 0.00 C ATOM 1036 CD1 PHE A 75 8.271 -12.177 12.163 1.00 0.00 C ATOM 1037 CD2 PHE A 75 8.691 -11.001 14.160 1.00 0.00 C ATOM 1038 CE1 PHE A 75 8.790 -13.361 12.751 1.00 0.00 C ATOM 1039 CE2 PHE A 75 9.211 -12.183 14.748 1.00 0.00 C ATOM 1040 CZ PHE A 75 9.249 -13.339 14.032 1.00 0.00 C ATOM 0 H PHE A 75 6.456 -7.793 11.554 1.00 0.00 H new ATOM 0 HA PHE A 75 6.102 -10.444 10.896 1.00 0.00 H new ATOM 0 HB2 PHE A 75 8.281 -9.486 11.381 1.00 0.00 H new ATOM 0 HB3 PHE A 75 7.765 -8.928 12.961 1.00 0.00 H new ATOM 0 HD1 PHE A 75 7.907 -12.194 11.146 1.00 0.00 H new ATOM 0 HD2 PHE A 75 8.660 -10.084 14.729 1.00 0.00 H new ATOM 0 HE1 PHE A 75 8.820 -14.278 12.182 1.00 0.00 H new ATOM 0 HE2 PHE A 75 9.577 -12.165 15.764 1.00 0.00 H new ATOM 0 HZ PHE A 75 9.643 -14.239 14.480 1.00 0.00 H new ATOM 1049 N GLU A 76 5.228 -9.834 14.010 1.00 0.00 N ATOM 1050 CA GLU A 76 4.487 -10.368 15.141 1.00 0.00 C ATOM 1051 C GLU A 76 2.997 -10.452 14.807 1.00 0.00 C ATOM 1052 O GLU A 76 2.378 -11.502 14.972 1.00 0.00 O ATOM 1053 CB GLU A 76 4.722 -9.526 16.396 1.00 0.00 C ATOM 1054 CG GLU A 76 6.216 -9.378 16.687 1.00 0.00 C ATOM 1055 CD GLU A 76 6.622 -10.212 17.903 1.00 0.00 C ATOM 1056 OE1 GLU A 76 6.689 -11.449 17.747 1.00 0.00 O ATOM 1057 OE2 GLU A 76 6.858 -9.591 18.963 1.00 0.00 O ATOM 0 H GLU A 76 5.579 -8.885 14.139 1.00 0.00 H new ATOM 0 HA GLU A 76 4.850 -11.375 15.346 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.274 -8.541 16.266 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.227 -9.991 17.248 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.793 -9.692 15.817 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.453 -8.329 16.865 1.00 0.00 H new ATOM 1062 N ALA A 77 2.462 -9.332 14.344 1.00 0.00 N ATOM 1063 CA ALA A 77 1.056 -9.265 13.986 1.00 0.00 C ATOM 1064 C ALA A 77 0.677 -10.516 13.190 1.00 0.00 C ATOM 1065 O ALA A 77 -0.479 -10.936 13.200 1.00 0.00 O ATOM 1066 CB ALA A 77 0.786 -7.975 13.207 1.00 0.00 C ATOM 0 H ALA A 77 2.978 -8.463 14.208 1.00 0.00 H new ATOM 0 HA ALA A 77 0.434 -9.241 14.881 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.269 -7.926 12.939 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.044 -7.116 13.826 1.00 0.00 H new ATOM 0 HB3 ALA A 77 1.391 -7.964 12.301 1.00 0.00 H new ATOM 1072 N GLY A 78 1.674 -11.076 12.520 1.00 0.00 N ATOM 1073 CA GLY A 78 1.458 -12.270 11.720 1.00 0.00 C ATOM 1074 C GLY A 78 1.441 -11.935 10.228 1.00 0.00 C ATOM 1075 O GLY A 78 0.859 -12.669 9.429 1.00 0.00 O ATOM 0 H GLY A 78 2.632 -10.726 12.515 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.245 -12.996 11.924 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.514 -12.735 12.003 1.00 0.00 H new ATOM 1079 N LEU A 79 2.086 -10.827 9.895 1.00 0.00 N ATOM 1080 CA LEU A 79 2.153 -10.386 8.512 1.00 0.00 C ATOM 1081 C LEU A 79 3.284 -11.128 7.798 1.00 0.00 C ATOM 1082 O LEU A 79 4.130 -11.746 8.442 1.00 0.00 O ATOM 1083 CB LEU A 79 2.276 -8.862 8.441 1.00 0.00 C ATOM 1084 CG LEU A 79 1.614 -8.191 7.235 1.00 0.00 C ATOM 1085 CD1 LEU A 79 0.163 -7.815 7.545 1.00 0.00 C ATOM 1086 CD2 LEU A 79 2.430 -6.988 6.762 1.00 0.00 C ATOM 0 H LEU A 79 2.567 -10.221 10.559 1.00 0.00 H new ATOM 0 HA LEU A 79 1.229 -10.633 7.989 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.845 -8.440 9.349 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.335 -8.602 8.440 1.00 0.00 H new ATOM 0 HG LEU A 79 1.592 -8.908 6.414 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.284 -7.340 6.672 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.400 -8.714 7.797 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.138 -7.123 8.387 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.938 -6.529 5.904 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.506 -6.260 7.569 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.429 -7.316 6.475 1.00 0.00 H new ATOM 1097 N CYS A 80 3.263 -11.043 6.477 1.00 0.00 N ATOM 1098 CA CYS A 80 4.276 -11.698 5.667 1.00 0.00 C ATOM 1099 C CYS A 80 4.363 -10.972 4.324 1.00 0.00 C ATOM 1100 O CYS A 80 3.923 -9.831 4.201 1.00 0.00 O ATOM 1101 CB CYS A 80 3.984 -13.190 5.493 1.00 0.00 C ATOM 1102 SG CYS A 80 5.465 -14.174 5.924 1.00 0.00 S ATOM 0 H CYS A 80 2.559 -10.530 5.946 1.00 0.00 H new ATOM 0 HA CYS A 80 5.241 -11.641 6.171 1.00 0.00 H new ATOM 0 HB2 CYS A 80 3.147 -13.481 6.127 1.00 0.00 H new ATOM 0 HB3 CYS A 80 3.689 -13.393 4.463 1.00 0.00 H new ATOM 0 HG CYS A 80 5.204 -15.439 5.775 1.00 0.00 H new ATOM 1107 N THR A 81 4.932 -11.666 3.348 1.00 0.00 N ATOM 1108 CA THR A 81 5.081 -11.102 2.018 1.00 0.00 C ATOM 1109 C THR A 81 4.045 -11.701 1.064 1.00 0.00 C ATOM 1110 O THR A 81 3.542 -12.798 1.299 1.00 0.00 O ATOM 1111 CB THR A 81 6.525 -11.329 1.566 1.00 0.00 C ATOM 1112 OG1 THR A 81 7.212 -10.155 1.994 1.00 0.00 O ATOM 1113 CG2 THR A 81 6.673 -11.312 0.044 1.00 0.00 C ATOM 0 H THR A 81 5.295 -12.613 3.453 1.00 0.00 H new ATOM 0 HA THR A 81 4.891 -10.029 2.021 1.00 0.00 H new ATOM 0 HB THR A 81 6.880 -12.284 1.954 1.00 0.00 H new ATOM 0 HG1 THR A 81 8.157 -10.219 1.743 1.00 0.00 H new ATOM 0 HG21 THR A 81 7.717 -11.478 -0.222 1.00 0.00 H new ATOM 0 HG22 THR A 81 6.058 -12.101 -0.390 1.00 0.00 H new ATOM 0 HG23 THR A 81 6.349 -10.346 -0.342 1.00 0.00 H new ATOM 1121 N GLY A 82 3.756 -10.953 0.009 1.00 0.00 N ATOM 1122 CA GLY A 82 2.789 -11.398 -0.981 1.00 0.00 C ATOM 1123 C GLY A 82 1.370 -10.981 -0.586 1.00 0.00 C ATOM 1124 O GLY A 82 0.491 -10.879 -1.437 1.00 0.00 O ATOM 0 H GLY A 82 4.174 -10.042 -0.182 1.00 0.00 H new ATOM 0 HA2 GLY A 82 3.039 -10.976 -1.954 1.00 0.00 H new ATOM 0 HA3 GLY A 82 2.839 -12.482 -1.082 1.00 0.00 H new ATOM 1128 N ASP A 83 1.194 -10.754 0.707 1.00 0.00 N ATOM 1129 CA ASP A 83 -0.103 -10.352 1.225 1.00 0.00 C ATOM 1130 C ASP A 83 -0.409 -8.924 0.770 1.00 0.00 C ATOM 1131 O ASP A 83 0.431 -8.034 0.897 1.00 0.00 O ATOM 1132 CB ASP A 83 -0.115 -10.371 2.755 1.00 0.00 C ATOM 1133 CG ASP A 83 0.129 -11.744 3.386 1.00 0.00 C ATOM 1134 OD1 ASP A 83 0.202 -12.721 2.609 1.00 0.00 O ATOM 1135 OD2 ASP A 83 0.237 -11.785 4.630 1.00 0.00 O ATOM 0 H ASP A 83 1.927 -10.841 1.411 1.00 0.00 H new ATOM 0 HA ASP A 83 -0.848 -11.053 0.849 1.00 0.00 H new ATOM 0 HB2 ASP A 83 0.646 -9.680 3.118 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -1.078 -9.995 3.101 1.00 0.00 H new ATOM 1139 N ARG A 84 -1.615 -8.749 0.247 1.00 0.00 N ATOM 1140 CA ARG A 84 -2.042 -7.445 -0.228 1.00 0.00 C ATOM 1141 C ARG A 84 -2.932 -6.765 0.813 1.00 0.00 C ATOM 1142 O ARG A 84 -3.643 -7.437 1.559 1.00 0.00 O ATOM 1143 CB ARG A 84 -2.810 -7.565 -1.546 1.00 0.00 C ATOM 1144 CG ARG A 84 -2.035 -8.408 -2.560 1.00 0.00 C ATOM 1145 CD ARG A 84 -2.952 -9.421 -3.247 1.00 0.00 C ATOM 1146 NE ARG A 84 -3.041 -10.655 -2.435 1.00 0.00 N ATOM 1147 CZ ARG A 84 -3.582 -11.802 -2.868 1.00 0.00 C ATOM 1148 NH1 ARG A 84 -4.084 -11.880 -4.108 1.00 0.00 N ATOM 1149 NH2 ARG A 84 -3.619 -12.872 -2.061 1.00 0.00 N ATOM 0 H ARG A 84 -2.309 -9.489 0.142 1.00 0.00 H new ATOM 0 HA ARG A 84 -1.148 -6.843 -0.394 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.785 -8.017 -1.363 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -2.991 -6.572 -1.957 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -1.581 -7.757 -3.308 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -1.222 -8.931 -2.057 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -3.945 -8.992 -3.382 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -2.569 -9.656 -4.240 1.00 0.00 H new ATOM 0 HE ARG A 84 -2.667 -10.631 -1.486 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -4.054 -11.066 -4.722 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -4.496 -12.753 -4.438 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -3.235 -12.813 -1.118 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -4.031 -13.745 -2.390 1.00 0.00 H new ATOM 1160 N ILE A 85 -2.865 -5.442 0.829 1.00 0.00 N ATOM 1161 CA ILE A 85 -3.656 -4.664 1.768 1.00 0.00 C ATOM 1162 C ILE A 85 -5.057 -4.449 1.191 1.00 0.00 C ATOM 1163 O ILE A 85 -5.207 -4.168 0.003 1.00 0.00 O ATOM 1164 CB ILE A 85 -2.934 -3.365 2.129 1.00 0.00 C ATOM 1165 CG1 ILE A 85 -1.446 -3.617 2.383 1.00 0.00 C ATOM 1166 CG2 ILE A 85 -3.608 -2.674 3.317 1.00 0.00 C ATOM 1167 CD1 ILE A 85 -1.247 -4.651 3.493 1.00 0.00 C ATOM 0 H ILE A 85 -2.275 -4.889 0.207 1.00 0.00 H new ATOM 0 HA ILE A 85 -3.776 -5.206 2.706 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.006 -2.687 1.278 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.971 -3.966 1.466 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.957 -2.683 2.659 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -3.075 -1.753 3.553 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.642 -2.440 3.063 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.588 -3.336 4.182 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -0.181 -4.812 3.654 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -1.702 -4.288 4.414 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.716 -5.591 3.203 1.00 0.00 H new ATOM 1178 N ILE A 86 -6.048 -4.589 2.060 1.00 0.00 N ATOM 1179 CA ILE A 86 -7.432 -4.413 1.651 1.00 0.00 C ATOM 1180 C ILE A 86 -8.063 -3.291 2.477 1.00 0.00 C ATOM 1181 O ILE A 86 -8.820 -2.479 1.950 1.00 0.00 O ATOM 1182 CB ILE A 86 -8.188 -5.740 1.736 1.00 0.00 C ATOM 1183 CG1 ILE A 86 -8.264 -6.237 3.182 1.00 0.00 C ATOM 1184 CG2 ILE A 86 -7.569 -6.785 0.805 1.00 0.00 C ATOM 1185 CD1 ILE A 86 -8.953 -7.601 3.257 1.00 0.00 C ATOM 0 H ILE A 86 -5.920 -4.822 3.045 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.486 -4.109 0.606 1.00 0.00 H new ATOM 0 HB ILE A 86 -9.211 -5.571 1.398 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -7.259 -6.310 3.599 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -8.810 -5.516 3.790 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -8.126 -7.719 0.885 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -7.609 -6.426 -0.223 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.531 -6.956 1.089 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -8.994 -7.931 4.295 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -9.966 -7.519 2.862 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -8.391 -8.325 2.668 1.00 0.00 H new ATOM 1196 N LYS A 87 -7.728 -3.283 3.759 1.00 0.00 N ATOM 1197 CA LYS A 87 -8.254 -2.274 4.663 1.00 0.00 C ATOM 1198 C LYS A 87 -7.099 -1.643 5.444 1.00 0.00 C ATOM 1199 O LYS A 87 -6.027 -2.235 5.560 1.00 0.00 O ATOM 1200 CB LYS A 87 -9.346 -2.869 5.555 1.00 0.00 C ATOM 1201 CG LYS A 87 -10.536 -3.345 4.719 1.00 0.00 C ATOM 1202 CD LYS A 87 -10.925 -4.780 5.085 1.00 0.00 C ATOM 1203 CE LYS A 87 -11.521 -5.509 3.879 1.00 0.00 C ATOM 1204 NZ LYS A 87 -12.478 -6.546 4.325 1.00 0.00 N ATOM 0 H LYS A 87 -7.099 -3.959 4.193 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.735 -1.474 4.101 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -8.940 -3.704 6.125 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -9.679 -2.122 6.276 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -11.386 -2.682 4.879 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -10.285 -3.291 3.660 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -10.048 -5.319 5.443 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -11.647 -4.768 5.901 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -12.025 -4.795 3.227 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.725 -5.968 3.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.874 -7.032 3.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -11.986 -7.236 4.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -13.247 -6.100 4.865 1.00 0.00 H new ATOM 1214 N VAL A 88 -7.357 -0.451 5.960 1.00 0.00 N ATOM 1215 CA VAL A 88 -6.353 0.267 6.726 1.00 0.00 C ATOM 1216 C VAL A 88 -7.042 1.283 7.638 1.00 0.00 C ATOM 1217 O VAL A 88 -7.975 1.967 7.217 1.00 0.00 O ATOM 1218 CB VAL A 88 -5.332 0.906 5.782 1.00 0.00 C ATOM 1219 CG1 VAL A 88 -4.425 1.881 6.535 1.00 0.00 C ATOM 1220 CG2 VAL A 88 -4.507 -0.163 5.062 1.00 0.00 C ATOM 0 H VAL A 88 -8.248 0.036 5.863 1.00 0.00 H new ATOM 0 HA VAL A 88 -5.799 -0.420 7.366 1.00 0.00 H new ATOM 0 HB VAL A 88 -5.881 1.471 5.028 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.709 2.321 5.841 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -5.030 2.670 6.981 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.889 1.347 7.320 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.789 0.318 4.397 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.974 -0.767 5.796 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -5.170 -0.802 4.479 1.00 0.00 H new ATOM 1230 N ASN A 89 -6.557 1.352 8.869 1.00 0.00 N ATOM 1231 CA ASN A 89 -7.116 2.273 9.843 1.00 0.00 C ATOM 1232 C ASN A 89 -8.643 2.202 9.791 1.00 0.00 C ATOM 1233 O ASN A 89 -9.318 3.225 9.870 1.00 0.00 O ATOM 1234 CB ASN A 89 -6.699 3.714 9.540 1.00 0.00 C ATOM 1235 CG ASN A 89 -5.176 3.852 9.517 1.00 0.00 C ATOM 1236 OD1 ASN A 89 -4.585 4.350 8.574 1.00 0.00 O ATOM 1237 ND2 ASN A 89 -4.573 3.383 10.607 1.00 0.00 N ATOM 0 H ASN A 89 -5.783 0.785 9.214 1.00 0.00 H new ATOM 0 HA ASN A 89 -6.744 1.988 10.827 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -7.110 4.020 8.578 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -7.117 4.383 10.292 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -3.557 3.429 10.688 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -5.127 2.978 11.362 1.00 0.00 H new ATOM 1243 N GLY A 90 -9.142 0.981 9.657 1.00 0.00 N ATOM 1244 CA GLY A 90 -10.576 0.763 9.592 1.00 0.00 C ATOM 1245 C GLY A 90 -11.214 1.622 8.499 1.00 0.00 C ATOM 1246 O GLY A 90 -12.346 2.080 8.645 1.00 0.00 O ATOM 0 H GLY A 90 -8.578 0.134 9.592 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -10.778 -0.290 9.396 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -11.027 1.000 10.555 1.00 0.00 H new ATOM 1250 N GLU A 91 -10.458 1.817 7.428 1.00 0.00 N ATOM 1251 CA GLU A 91 -10.936 2.615 6.311 1.00 0.00 C ATOM 1252 C GLU A 91 -11.058 1.748 5.055 1.00 0.00 C ATOM 1253 O GLU A 91 -10.447 0.684 4.968 1.00 0.00 O ATOM 1254 CB GLU A 91 -10.020 3.814 6.062 1.00 0.00 C ATOM 1255 CG GLU A 91 -10.786 5.129 6.205 1.00 0.00 C ATOM 1256 CD GLU A 91 -11.997 5.162 5.272 1.00 0.00 C ATOM 1257 OE1 GLU A 91 -11.792 4.907 4.067 1.00 0.00 O ATOM 1258 OE2 GLU A 91 -13.102 5.443 5.785 1.00 0.00 O ATOM 0 H GLU A 91 -9.519 1.437 7.310 1.00 0.00 H new ATOM 0 HA GLU A 91 -11.924 3.001 6.561 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -9.190 3.794 6.768 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.590 3.746 5.063 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -11.114 5.252 7.237 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -10.125 5.966 5.978 1.00 0.00 H new ATOM 1263 N SER A 92 -11.851 2.236 4.113 1.00 0.00 N ATOM 1264 CA SER A 92 -12.064 1.520 2.866 1.00 0.00 C ATOM 1265 C SER A 92 -11.114 2.052 1.791 1.00 0.00 C ATOM 1266 O SER A 92 -11.348 3.120 1.225 1.00 0.00 O ATOM 1267 CB SER A 92 -13.515 1.641 2.401 1.00 0.00 C ATOM 1268 OG SER A 92 -14.436 1.240 3.411 1.00 0.00 O ATOM 0 H SER A 92 -12.355 3.120 4.188 1.00 0.00 H new ATOM 0 HA SER A 92 -11.855 0.464 3.037 1.00 0.00 H new ATOM 0 HB2 SER A 92 -13.719 2.673 2.114 1.00 0.00 H new ATOM 0 HB3 SER A 92 -13.663 1.028 1.512 1.00 0.00 H new ATOM 0 HG SER A 92 -15.352 1.334 3.075 1.00 0.00 H new ATOM 1273 N VAL A 93 -10.064 1.285 1.541 1.00 0.00 N ATOM 1274 CA VAL A 93 -9.079 1.666 0.543 1.00 0.00 C ATOM 1275 C VAL A 93 -9.461 1.052 -0.805 1.00 0.00 C ATOM 1276 O VAL A 93 -8.593 0.632 -1.569 1.00 0.00 O ATOM 1277 CB VAL A 93 -7.678 1.260 1.009 1.00 0.00 C ATOM 1278 CG1 VAL A 93 -7.389 1.801 2.411 1.00 0.00 C ATOM 1279 CG2 VAL A 93 -7.502 -0.258 0.960 1.00 0.00 C ATOM 0 H VAL A 93 -9.873 0.401 2.012 1.00 0.00 H new ATOM 0 HA VAL A 93 -9.064 2.748 0.415 1.00 0.00 H new ATOM 0 HB VAL A 93 -6.955 1.703 0.323 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.388 1.499 2.718 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -7.453 2.889 2.401 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -8.120 1.401 3.113 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.498 -0.519 1.296 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -8.237 -0.731 1.611 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.645 -0.608 -0.062 1.00 0.00 H new ATOM 1289 N ILE A 94 -10.761 1.019 -1.056 1.00 0.00 N ATOM 1290 CA ILE A 94 -11.269 0.464 -2.300 1.00 0.00 C ATOM 1291 C ILE A 94 -11.286 1.556 -3.371 1.00 0.00 C ATOM 1292 O ILE A 94 -12.295 2.235 -3.554 1.00 0.00 O ATOM 1293 CB ILE A 94 -12.630 -0.197 -2.074 1.00 0.00 C ATOM 1294 CG1 ILE A 94 -12.534 -1.311 -1.029 1.00 0.00 C ATOM 1295 CG2 ILE A 94 -13.223 -0.697 -3.393 1.00 0.00 C ATOM 1296 CD1 ILE A 94 -11.873 -2.559 -1.620 1.00 0.00 C ATOM 0 H ILE A 94 -11.478 1.367 -0.420 1.00 0.00 H new ATOM 0 HA ILE A 94 -10.612 -0.327 -2.661 1.00 0.00 H new ATOM 0 HB ILE A 94 -13.313 0.555 -1.679 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -11.959 -0.962 -0.171 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -13.531 -1.560 -0.665 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -14.190 -1.163 -3.204 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -13.352 0.143 -4.076 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -12.550 -1.428 -3.841 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -11.816 -3.336 -0.858 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -12.464 -2.919 -2.462 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -10.868 -2.311 -1.961 1.00 0.00 H new ATOM 1307 N GLY A 95 -10.157 1.689 -4.052 1.00 0.00 N ATOM 1308 CA GLY A 95 -10.030 2.686 -5.101 1.00 0.00 C ATOM 1309 C GLY A 95 -8.920 3.687 -4.772 1.00 0.00 C ATOM 1310 O GLY A 95 -8.187 4.121 -5.661 1.00 0.00 O ATOM 0 H GLY A 95 -9.323 1.123 -3.898 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -9.813 2.196 -6.050 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -10.976 3.213 -5.223 1.00 0.00 H new ATOM 1314 N LYS A 96 -8.831 4.026 -3.495 1.00 0.00 N ATOM 1315 CA LYS A 96 -7.824 4.968 -3.039 1.00 0.00 C ATOM 1316 C LYS A 96 -6.480 4.624 -3.685 1.00 0.00 C ATOM 1317 O LYS A 96 -6.235 3.472 -4.040 1.00 0.00 O ATOM 1318 CB LYS A 96 -7.779 5.007 -1.509 1.00 0.00 C ATOM 1319 CG LYS A 96 -9.046 5.650 -0.941 1.00 0.00 C ATOM 1320 CD LYS A 96 -8.956 5.782 0.581 1.00 0.00 C ATOM 1321 CE LYS A 96 -9.645 7.061 1.061 1.00 0.00 C ATOM 1322 NZ LYS A 96 -11.116 6.922 0.976 1.00 0.00 N ATOM 0 H LYS A 96 -9.440 3.665 -2.761 1.00 0.00 H new ATOM 0 HA LYS A 96 -8.080 5.980 -3.353 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -7.674 3.995 -1.119 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -6.904 5.568 -1.181 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -9.191 6.634 -1.387 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -9.915 5.048 -1.207 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -9.419 4.916 1.053 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -7.910 5.791 0.888 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -9.353 7.274 2.089 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -9.318 7.906 0.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -11.567 7.799 1.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -11.391 6.741 -0.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -11.425 6.128 1.573 1.00 0.00 H new ATOM 1332 N THR A 97 -5.645 5.645 -3.817 1.00 0.00 N ATOM 1333 CA THR A 97 -4.332 5.464 -4.414 1.00 0.00 C ATOM 1334 C THR A 97 -3.278 5.247 -3.327 1.00 0.00 C ATOM 1335 O THR A 97 -3.411 5.760 -2.217 1.00 0.00 O ATOM 1336 CB THR A 97 -4.047 6.675 -5.304 1.00 0.00 C ATOM 1337 OG1 THR A 97 -2.985 6.245 -6.149 1.00 0.00 O ATOM 1338 CG2 THR A 97 -3.451 7.848 -4.524 1.00 0.00 C ATOM 0 H THR A 97 -5.852 6.599 -3.521 1.00 0.00 H new ATOM 0 HA THR A 97 -4.300 4.570 -5.037 1.00 0.00 H new ATOM 0 HB THR A 97 -4.970 6.993 -5.789 1.00 0.00 H new ATOM 0 HG1 THR A 97 -2.739 6.971 -6.760 1.00 0.00 H new ATOM 0 HG21 THR A 97 -3.268 8.681 -5.203 1.00 0.00 H new ATOM 0 HG22 THR A 97 -4.149 8.160 -3.747 1.00 0.00 H new ATOM 0 HG23 THR A 97 -2.511 7.540 -4.066 1.00 0.00 H new ATOM 1346 N TYR A 98 -2.253 4.488 -3.685 1.00 0.00 N ATOM 1347 CA TYR A 98 -1.176 4.197 -2.755 1.00 0.00 C ATOM 1348 C TYR A 98 -0.831 5.428 -1.914 1.00 0.00 C ATOM 1349 O TYR A 98 -0.697 5.333 -0.695 1.00 0.00 O ATOM 1350 CB TYR A 98 0.034 3.826 -3.613 1.00 0.00 C ATOM 1351 CG TYR A 98 1.298 3.514 -2.808 1.00 0.00 C ATOM 1352 CD1 TYR A 98 1.340 2.398 -1.996 1.00 0.00 C ATOM 1353 CD2 TYR A 98 2.393 4.348 -2.892 1.00 0.00 C ATOM 1354 CE1 TYR A 98 2.529 2.106 -1.237 1.00 0.00 C ATOM 1355 CE2 TYR A 98 3.581 4.054 -2.133 1.00 0.00 C ATOM 1356 CZ TYR A 98 3.590 2.948 -1.344 1.00 0.00 C ATOM 1357 OH TYR A 98 4.713 2.670 -0.626 1.00 0.00 O ATOM 0 H TYR A 98 -2.146 4.065 -4.607 1.00 0.00 H new ATOM 0 HA TYR A 98 -1.465 3.398 -2.072 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -0.219 2.959 -4.223 1.00 0.00 H new ATOM 0 HB3 TYR A 98 0.246 4.647 -4.298 1.00 0.00 H new ATOM 0 HD1 TYR A 98 0.482 1.745 -1.930 1.00 0.00 H new ATOM 0 HD2 TYR A 98 2.360 5.221 -3.527 1.00 0.00 H new ATOM 0 HE1 TYR A 98 2.576 1.237 -0.597 1.00 0.00 H new ATOM 0 HE2 TYR A 98 4.446 4.699 -2.190 1.00 0.00 H new ATOM 0 HH TYR A 98 5.391 3.356 -0.801 1.00 0.00 H new ATOM 1366 N SER A 99 -0.697 6.555 -2.598 1.00 0.00 N ATOM 1367 CA SER A 99 -0.370 7.802 -1.929 1.00 0.00 C ATOM 1368 C SER A 99 -1.342 8.046 -0.773 1.00 0.00 C ATOM 1369 O SER A 99 -0.929 8.431 0.320 1.00 0.00 O ATOM 1370 CB SER A 99 -0.403 8.977 -2.908 1.00 0.00 C ATOM 1371 OG SER A 99 0.303 10.109 -2.408 1.00 0.00 O ATOM 0 H SER A 99 -0.809 6.630 -3.609 1.00 0.00 H new ATOM 0 HA SER A 99 0.642 7.723 -1.533 1.00 0.00 H new ATOM 0 HB2 SER A 99 0.033 8.669 -3.859 1.00 0.00 H new ATOM 0 HB3 SER A 99 -1.438 9.254 -3.107 1.00 0.00 H new ATOM 0 HG SER A 99 0.260 10.837 -3.063 1.00 0.00 H new ATOM 1376 N GLN A 100 -2.616 7.813 -1.053 1.00 0.00 N ATOM 1377 CA GLN A 100 -3.651 8.002 -0.050 1.00 0.00 C ATOM 1378 C GLN A 100 -3.419 7.064 1.135 1.00 0.00 C ATOM 1379 O GLN A 100 -3.097 7.513 2.233 1.00 0.00 O ATOM 1380 CB GLN A 100 -5.041 7.794 -0.653 1.00 0.00 C ATOM 1381 CG GLN A 100 -5.558 9.082 -1.297 1.00 0.00 C ATOM 1382 CD GLN A 100 -6.983 8.896 -1.825 1.00 0.00 C ATOM 1383 OE1 GLN A 100 -7.218 8.261 -2.840 1.00 0.00 O ATOM 1384 NE2 GLN A 100 -7.916 9.484 -1.083 1.00 0.00 N ATOM 0 H GLN A 100 -2.955 7.495 -1.961 1.00 0.00 H new ATOM 0 HA GLN A 100 -3.598 9.029 0.311 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -5.003 7.000 -1.399 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -5.733 7.468 0.124 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -5.539 9.891 -0.567 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -4.899 9.375 -2.114 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -7.650 10.000 -0.245 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -8.898 9.419 -1.352 1.00 0.00 H new ATOM 1391 N VAL A 101 -3.592 5.776 0.872 1.00 0.00 N ATOM 1392 CA VAL A 101 -3.406 4.770 1.904 1.00 0.00 C ATOM 1393 C VAL A 101 -2.098 5.045 2.648 1.00 0.00 C ATOM 1394 O VAL A 101 -2.030 4.897 3.867 1.00 0.00 O ATOM 1395 CB VAL A 101 -3.461 3.371 1.287 1.00 0.00 C ATOM 1396 CG1 VAL A 101 -4.890 3.009 0.876 1.00 0.00 C ATOM 1397 CG2 VAL A 101 -2.504 3.259 0.099 1.00 0.00 C ATOM 0 H VAL A 101 -3.859 5.407 -0.041 1.00 0.00 H new ATOM 0 HA VAL A 101 -4.212 4.819 2.636 1.00 0.00 H new ATOM 0 HB VAL A 101 -3.140 2.657 2.045 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -4.901 2.010 0.440 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -5.537 3.030 1.753 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -5.251 3.729 0.142 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -2.562 2.255 -0.322 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.782 3.988 -0.662 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -1.485 3.454 0.433 1.00 0.00 H new ATOM 1407 N ILE A 102 -1.091 5.439 1.883 1.00 0.00 N ATOM 1408 CA ILE A 102 0.210 5.736 2.454 1.00 0.00 C ATOM 1409 C ILE A 102 0.040 6.693 3.635 1.00 0.00 C ATOM 1410 O ILE A 102 0.596 6.465 4.708 1.00 0.00 O ATOM 1411 CB ILE A 102 1.164 6.257 1.375 1.00 0.00 C ATOM 1412 CG1 ILE A 102 1.665 5.114 0.488 1.00 0.00 C ATOM 1413 CG2 ILE A 102 2.318 7.048 1.997 1.00 0.00 C ATOM 1414 CD1 ILE A 102 2.960 4.516 1.043 1.00 0.00 C ATOM 0 H ILE A 102 -1.151 5.559 0.872 1.00 0.00 H new ATOM 0 HA ILE A 102 0.669 4.827 2.843 1.00 0.00 H new ATOM 0 HB ILE A 102 0.612 6.944 0.734 1.00 0.00 H new ATOM 0 HG12 ILE A 102 0.901 4.339 0.422 1.00 0.00 H new ATOM 0 HG13 ILE A 102 1.835 5.482 -0.524 1.00 0.00 H new ATOM 0 HG21 ILE A 102 2.980 7.406 1.209 1.00 0.00 H new ATOM 0 HG22 ILE A 102 1.920 7.898 2.551 1.00 0.00 H new ATOM 0 HG23 ILE A 102 2.877 6.403 2.675 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.294 3.706 0.394 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.728 5.288 1.085 1.00 0.00 H new ATOM 0 HD13 ILE A 102 2.781 4.127 2.045 1.00 0.00 H new ATOM 1425 N ALA A 103 -0.733 7.743 3.398 1.00 0.00 N ATOM 1426 CA ALA A 103 -0.985 8.735 4.430 1.00 0.00 C ATOM 1427 C ALA A 103 -1.676 8.064 5.618 1.00 0.00 C ATOM 1428 O ALA A 103 -1.284 8.269 6.765 1.00 0.00 O ATOM 1429 CB ALA A 103 -1.812 9.881 3.844 1.00 0.00 C ATOM 0 H ALA A 103 -1.193 7.928 2.507 1.00 0.00 H new ATOM 0 HA ALA A 103 -0.049 9.160 4.792 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -2.001 10.625 4.617 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -1.264 10.342 3.023 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -2.761 9.493 3.474 1.00 0.00 H new ATOM 1435 N LEU A 104 -2.694 7.276 5.302 1.00 0.00 N ATOM 1436 CA LEU A 104 -3.445 6.576 6.330 1.00 0.00 C ATOM 1437 C LEU A 104 -2.469 5.895 7.292 1.00 0.00 C ATOM 1438 O LEU A 104 -2.706 5.859 8.499 1.00 0.00 O ATOM 1439 CB LEU A 104 -4.453 5.614 5.696 1.00 0.00 C ATOM 1440 CG LEU A 104 -5.668 6.261 5.028 1.00 0.00 C ATOM 1441 CD1 LEU A 104 -6.639 5.199 4.510 1.00 0.00 C ATOM 1442 CD2 LEU A 104 -6.351 7.251 5.975 1.00 0.00 C ATOM 0 H LEU A 104 -3.016 7.107 4.349 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.035 7.280 6.917 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -3.932 5.012 4.952 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.808 4.931 6.467 1.00 0.00 H new ATOM 0 HG LEU A 104 -5.322 6.828 4.164 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.494 5.686 4.040 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.133 4.569 3.779 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -6.984 4.585 5.342 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -7.211 7.697 5.476 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.683 6.727 6.872 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.646 8.035 6.252 1.00 0.00 H new ATOM 1453 N ILE A 105 -1.392 5.373 6.723 1.00 0.00 N ATOM 1454 CA ILE A 105 -0.380 4.697 7.516 1.00 0.00 C ATOM 1455 C ILE A 105 0.445 5.737 8.277 1.00 0.00 C ATOM 1456 O ILE A 105 0.639 5.617 9.486 1.00 0.00 O ATOM 1457 CB ILE A 105 0.461 3.772 6.634 1.00 0.00 C ATOM 1458 CG1 ILE A 105 -0.364 2.577 6.150 1.00 0.00 C ATOM 1459 CG2 ILE A 105 1.734 3.332 7.358 1.00 0.00 C ATOM 1460 CD1 ILE A 105 0.234 1.977 4.876 1.00 0.00 C ATOM 0 H ILE A 105 -1.199 5.405 5.722 1.00 0.00 H new ATOM 0 HA ILE A 105 -0.847 4.053 8.261 1.00 0.00 H new ATOM 0 HB ILE A 105 0.770 4.331 5.750 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.402 1.817 6.931 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -1.390 2.892 5.961 1.00 0.00 H new ATOM 0 HG21 ILE A 105 2.313 2.675 6.709 1.00 0.00 H new ATOM 0 HG22 ILE A 105 2.330 4.209 7.612 1.00 0.00 H new ATOM 0 HG23 ILE A 105 1.468 2.798 8.270 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -0.371 1.130 4.554 1.00 0.00 H new ATOM 0 HD12 ILE A 105 0.249 2.732 4.090 1.00 0.00 H new ATOM 0 HD13 ILE A 105 1.252 1.641 5.075 1.00 0.00 H new ATOM 1471 N GLN A 106 0.908 6.734 7.538 1.00 0.00 N ATOM 1472 CA GLN A 106 1.708 7.795 8.129 1.00 0.00 C ATOM 1473 C GLN A 106 0.928 8.485 9.249 1.00 0.00 C ATOM 1474 O GLN A 106 1.521 9.087 10.143 1.00 0.00 O ATOM 1475 CB GLN A 106 2.151 8.803 7.067 1.00 0.00 C ATOM 1476 CG GLN A 106 3.148 8.170 6.093 1.00 0.00 C ATOM 1477 CD GLN A 106 4.233 9.172 5.692 1.00 0.00 C ATOM 1478 OE1 GLN A 106 4.281 10.297 6.163 1.00 0.00 O ATOM 1479 NE2 GLN A 106 5.099 8.702 4.800 1.00 0.00 N ATOM 0 H GLN A 106 0.745 6.830 6.536 1.00 0.00 H new ATOM 0 HA GLN A 106 2.606 7.351 8.558 1.00 0.00 H new ATOM 0 HB2 GLN A 106 1.281 9.165 6.519 1.00 0.00 H new ATOM 0 HB3 GLN A 106 2.607 9.668 7.549 1.00 0.00 H new ATOM 0 HG2 GLN A 106 3.608 7.296 6.554 1.00 0.00 H new ATOM 0 HG3 GLN A 106 2.622 7.822 5.204 1.00 0.00 H new ATOM 0 HE21 GLN A 106 5.001 7.750 4.447 1.00 0.00 H new ATOM 0 HE22 GLN A 106 5.862 9.293 4.469 1.00 0.00 H new ATOM 1486 N ASN A 107 -0.390 8.378 9.163 1.00 0.00 N ATOM 1487 CA ASN A 107 -1.258 8.985 10.159 1.00 0.00 C ATOM 1488 C ASN A 107 -1.916 7.885 10.995 1.00 0.00 C ATOM 1489 O ASN A 107 -2.907 8.130 11.680 1.00 0.00 O ATOM 1490 CB ASN A 107 -2.365 9.805 9.498 1.00 0.00 C ATOM 1491 CG ASN A 107 -1.848 11.176 9.060 1.00 0.00 C ATOM 1492 OD1 ASN A 107 -1.482 12.015 9.866 1.00 0.00 O ATOM 1493 ND2 ASN A 107 -1.837 11.355 7.742 1.00 0.00 N ATOM 0 H ASN A 107 -0.878 7.880 8.419 1.00 0.00 H new ATOM 0 HA ASN A 107 -0.649 9.640 10.783 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -2.754 9.267 8.634 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -3.194 9.931 10.195 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -1.508 12.237 7.350 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -2.158 10.610 7.123 1.00 0.00 H new ATOM 1499 N SER A 108 -1.338 6.695 10.910 1.00 0.00 N ATOM 1500 CA SER A 108 -1.856 5.557 11.649 1.00 0.00 C ATOM 1501 C SER A 108 -1.781 5.830 13.152 1.00 0.00 C ATOM 1502 O SER A 108 -2.418 5.141 13.945 1.00 0.00 O ATOM 1503 CB SER A 108 -1.090 4.279 11.302 1.00 0.00 C ATOM 1504 OG SER A 108 0.302 4.401 11.578 1.00 0.00 O ATOM 0 H SER A 108 -0.516 6.495 10.340 1.00 0.00 H new ATOM 0 HA SER A 108 -2.898 5.411 11.365 1.00 0.00 H new ATOM 0 HB2 SER A 108 -1.501 3.444 11.870 1.00 0.00 H new ATOM 0 HB3 SER A 108 -1.232 4.046 10.247 1.00 0.00 H new ATOM 0 HG SER A 108 0.784 4.602 10.749 1.00 0.00 H new ATOM 1509 N ASP A 109 -0.994 6.839 13.498 1.00 0.00 N ATOM 1510 CA ASP A 109 -0.826 7.213 14.893 1.00 0.00 C ATOM 1511 C ASP A 109 0.083 6.195 15.584 1.00 0.00 C ATOM 1512 O ASP A 109 0.862 5.505 14.926 1.00 0.00 O ATOM 1513 CB ASP A 109 -2.168 7.222 15.627 1.00 0.00 C ATOM 1514 CG ASP A 109 -2.279 8.244 16.759 1.00 0.00 C ATOM 1515 OD1 ASP A 109 -1.563 9.265 16.675 1.00 0.00 O ATOM 1516 OD2 ASP A 109 -3.079 7.983 17.684 1.00 0.00 O ATOM 0 H ASP A 109 -0.466 7.409 12.837 1.00 0.00 H new ATOM 0 HA ASP A 109 -0.392 8.212 14.923 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -2.959 7.417 14.903 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -2.348 6.228 16.036 1.00 0.00 H new ATOM 1520 N THR A 110 -0.047 6.129 16.900 1.00 0.00 N ATOM 1521 CA THR A 110 0.753 5.205 17.687 1.00 0.00 C ATOM 1522 C THR A 110 0.755 3.818 17.041 1.00 0.00 C ATOM 1523 O THR A 110 1.807 3.311 16.659 1.00 0.00 O ATOM 1524 CB THR A 110 0.210 5.209 19.116 1.00 0.00 C ATOM 1525 OG1 THR A 110 0.202 6.587 19.481 1.00 0.00 O ATOM 1526 CG2 THR A 110 1.177 4.566 20.112 1.00 0.00 C ATOM 0 H THR A 110 -0.695 6.701 17.442 1.00 0.00 H new ATOM 0 HA THR A 110 1.797 5.515 17.720 1.00 0.00 H new ATOM 0 HB THR A 110 -0.743 4.681 19.143 1.00 0.00 H new ATOM 0 HG1 THR A 110 -0.139 6.681 20.395 1.00 0.00 H new ATOM 0 HG21 THR A 110 0.743 4.595 21.111 1.00 0.00 H new ATOM 0 HG22 THR A 110 1.359 3.530 19.825 1.00 0.00 H new ATOM 0 HG23 THR A 110 2.119 5.114 20.110 1.00 0.00 H new ATOM 1534 N THR A 111 -0.435 3.247 16.941 1.00 0.00 N ATOM 1535 CA THR A 111 -0.584 1.928 16.348 1.00 0.00 C ATOM 1536 C THR A 111 -0.951 2.047 14.867 1.00 0.00 C ATOM 1537 O THR A 111 -1.152 3.150 14.361 1.00 0.00 O ATOM 1538 CB THR A 111 -1.617 1.154 17.169 1.00 0.00 C ATOM 1539 OG1 THR A 111 -2.477 2.166 17.688 1.00 0.00 O ATOM 1540 CG2 THR A 111 -1.008 0.507 18.415 1.00 0.00 C ATOM 0 H THR A 111 -1.305 3.672 17.260 1.00 0.00 H new ATOM 0 HA THR A 111 0.355 1.375 16.375 1.00 0.00 H new ATOM 0 HB THR A 111 -2.073 0.384 16.546 1.00 0.00 H new ATOM 0 HG1 THR A 111 -3.179 1.752 18.232 1.00 0.00 H new ATOM 0 HG21 THR A 111 -1.783 -0.030 18.962 1.00 0.00 H new ATOM 0 HG22 THR A 111 -0.225 -0.190 18.117 1.00 0.00 H new ATOM 0 HG23 THR A 111 -0.581 1.280 19.055 1.00 0.00 H new ATOM 1548 N LEU A 112 -1.028 0.896 14.215 1.00 0.00 N ATOM 1549 CA LEU A 112 -1.368 0.858 12.804 1.00 0.00 C ATOM 1550 C LEU A 112 -1.983 -0.502 12.467 1.00 0.00 C ATOM 1551 O LEU A 112 -1.288 -1.517 12.462 1.00 0.00 O ATOM 1552 CB LEU A 112 -0.147 1.208 11.949 1.00 0.00 C ATOM 1553 CG LEU A 112 -0.341 1.117 10.434 1.00 0.00 C ATOM 1554 CD1 LEU A 112 0.325 -0.139 9.869 1.00 0.00 C ATOM 1555 CD2 LEU A 112 -1.823 1.195 10.065 1.00 0.00 C ATOM 0 H LEU A 112 -0.861 -0.017 14.638 1.00 0.00 H new ATOM 0 HA LEU A 112 -2.119 1.614 12.574 1.00 0.00 H new ATOM 0 HB2 LEU A 112 0.165 2.223 12.195 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.671 0.545 12.231 1.00 0.00 H new ATOM 0 HG LEU A 112 0.151 1.975 9.976 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.172 -0.178 8.791 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.393 -0.112 10.083 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.115 -1.023 10.331 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -1.932 1.128 8.983 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -2.359 0.371 10.536 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -2.235 2.142 10.413 1.00 0.00 H new ATOM 1566 N GLU A 113 -3.280 -0.478 12.197 1.00 0.00 N ATOM 1567 CA GLU A 113 -3.997 -1.697 11.862 1.00 0.00 C ATOM 1568 C GLU A 113 -4.025 -1.896 10.346 1.00 0.00 C ATOM 1569 O GLU A 113 -4.221 -0.941 9.594 1.00 0.00 O ATOM 1570 CB GLU A 113 -5.413 -1.676 12.440 1.00 0.00 C ATOM 1571 CG GLU A 113 -6.137 -2.996 12.167 1.00 0.00 C ATOM 1572 CD GLU A 113 -7.635 -2.871 12.449 1.00 0.00 C ATOM 1573 OE1 GLU A 113 -8.295 -2.129 11.691 1.00 0.00 O ATOM 1574 OE2 GLU A 113 -8.086 -3.517 13.419 1.00 0.00 O ATOM 0 H GLU A 113 -3.853 0.366 12.203 1.00 0.00 H new ATOM 0 HA GLU A 113 -3.471 -2.540 12.309 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -5.368 -1.497 13.514 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -5.976 -0.851 12.003 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -5.983 -3.291 11.129 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -5.711 -3.783 12.789 1.00 0.00 H new ATOM 1579 N LEU A 114 -3.829 -3.142 9.940 1.00 0.00 N ATOM 1580 CA LEU A 114 -3.830 -3.478 8.527 1.00 0.00 C ATOM 1581 C LEU A 114 -4.818 -4.620 8.278 1.00 0.00 C ATOM 1582 O LEU A 114 -5.424 -5.136 9.217 1.00 0.00 O ATOM 1583 CB LEU A 114 -2.410 -3.780 8.046 1.00 0.00 C ATOM 1584 CG LEU A 114 -1.406 -2.629 8.154 1.00 0.00 C ATOM 1585 CD1 LEU A 114 0.031 -3.155 8.181 1.00 0.00 C ATOM 1586 CD2 LEU A 114 -1.622 -1.605 7.037 1.00 0.00 C ATOM 0 H LEU A 114 -3.668 -3.931 10.566 1.00 0.00 H new ATOM 0 HA LEU A 114 -4.169 -2.628 7.935 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -2.026 -4.625 8.617 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.460 -4.096 7.004 1.00 0.00 H new ATOM 0 HG LEU A 114 -1.578 -2.114 9.099 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.724 -2.317 8.258 1.00 0.00 H new ATOM 0 HD12 LEU A 114 0.161 -3.814 9.040 1.00 0.00 H new ATOM 0 HD13 LEU A 114 0.233 -3.709 7.264 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -0.896 -0.798 7.137 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -1.494 -2.090 6.069 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -2.630 -1.197 7.108 1.00 0.00 H new ATOM 1597 N SER A 115 -4.951 -4.980 7.011 1.00 0.00 N ATOM 1598 CA SER A 115 -5.856 -6.050 6.627 1.00 0.00 C ATOM 1599 C SER A 115 -5.473 -6.590 5.249 1.00 0.00 C ATOM 1600 O SER A 115 -5.246 -5.819 4.318 1.00 0.00 O ATOM 1601 CB SER A 115 -7.308 -5.571 6.626 1.00 0.00 C ATOM 1602 OG SER A 115 -7.547 -4.589 7.631 1.00 0.00 O ATOM 0 H SER A 115 -4.447 -4.550 6.236 1.00 0.00 H new ATOM 0 HA SER A 115 -5.768 -6.851 7.361 1.00 0.00 H new ATOM 0 HB2 SER A 115 -7.552 -5.156 5.648 1.00 0.00 H new ATOM 0 HB3 SER A 115 -7.971 -6.422 6.786 1.00 0.00 H new ATOM 0 HG SER A 115 -8.478 -4.649 7.932 1.00 0.00 H new ATOM 1607 N VAL A 116 -5.413 -7.911 5.160 1.00 0.00 N ATOM 1608 CA VAL A 116 -5.062 -8.563 3.910 1.00 0.00 C ATOM 1609 C VAL A 116 -6.034 -9.716 3.651 1.00 0.00 C ATOM 1610 O VAL A 116 -6.985 -9.912 4.405 1.00 0.00 O ATOM 1611 CB VAL A 116 -3.600 -9.012 3.947 1.00 0.00 C ATOM 1612 CG1 VAL A 116 -2.680 -7.854 4.343 1.00 0.00 C ATOM 1613 CG2 VAL A 116 -3.415 -10.204 4.888 1.00 0.00 C ATOM 0 H VAL A 116 -5.602 -8.548 5.934 1.00 0.00 H new ATOM 0 HA VAL A 116 -5.154 -7.866 3.077 1.00 0.00 H new ATOM 0 HB VAL A 116 -3.323 -9.332 2.942 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -1.647 -8.200 4.362 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -2.779 -7.046 3.618 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -2.959 -7.490 5.332 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -2.367 -10.503 4.895 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -3.719 -9.922 5.896 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -4.027 -11.038 4.544 1.00 0.00 H new ATOM 1623 N MET A 117 -5.762 -10.447 2.581 1.00 0.00 N ATOM 1624 CA MET A 117 -6.600 -11.575 2.212 1.00 0.00 C ATOM 1625 C MET A 117 -5.768 -12.848 2.054 1.00 0.00 C ATOM 1626 O MET A 117 -5.339 -13.183 0.951 1.00 0.00 O ATOM 1627 CB MET A 117 -7.319 -11.268 0.896 1.00 0.00 C ATOM 1628 CG MET A 117 -8.499 -10.320 1.123 1.00 0.00 C ATOM 1629 SD MET A 117 -10.037 -11.186 0.870 1.00 0.00 S ATOM 1630 CE MET A 117 -10.223 -11.960 2.468 1.00 0.00 C ATOM 0 H MET A 117 -4.973 -10.280 1.957 1.00 0.00 H new ATOM 0 HA MET A 117 -7.329 -11.737 3.006 1.00 0.00 H new ATOM 0 HB2 MET A 117 -6.619 -10.820 0.191 1.00 0.00 H new ATOM 0 HB3 MET A 117 -7.674 -12.195 0.447 1.00 0.00 H new ATOM 0 HG2 MET A 117 -8.462 -9.916 2.135 1.00 0.00 H new ATOM 0 HG3 MET A 117 -8.432 -9.474 0.439 1.00 0.00 H new ATOM 0 HE1 MET A 117 -10.898 -12.812 2.383 1.00 0.00 H new ATOM 0 HE2 MET A 117 -9.250 -12.301 2.822 1.00 0.00 H new ATOM 0 HE3 MET A 117 -10.635 -11.240 3.175 1.00 0.00 H new ATOM 1638 N PRO A 118 -5.560 -13.546 3.204 1.00 0.00 N ATOM 1639 CA PRO A 118 -4.787 -14.775 3.203 1.00 0.00 C ATOM 1640 C PRO A 118 -5.595 -15.930 2.611 1.00 0.00 C ATOM 1641 O PRO A 118 -6.815 -15.836 2.479 1.00 0.00 O ATOM 1642 CB PRO A 118 -4.408 -15.000 4.658 1.00 0.00 C ATOM 1643 CG PRO A 118 -5.366 -14.151 5.476 1.00 0.00 C ATOM 1644 CD PRO A 118 -6.053 -13.180 4.529 1.00 0.00 C ATOM 0 HA PRO A 118 -3.897 -14.712 2.577 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -4.494 -16.053 4.925 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -3.374 -14.708 4.842 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -6.101 -14.780 5.977 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -4.827 -13.609 6.254 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -7.138 -13.270 4.587 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -5.806 -12.147 4.773 1.00 0.00 H new ATOM 1649 N LYS A 119 -4.884 -16.995 2.268 1.00 0.00 N ATOM 1650 CA LYS A 119 -5.519 -18.168 1.692 1.00 0.00 C ATOM 1651 C LYS A 119 -5.327 -19.359 2.631 1.00 0.00 C ATOM 1652 O LYS A 119 -4.482 -19.321 3.525 1.00 0.00 O ATOM 1653 CB LYS A 119 -5.003 -18.413 0.273 1.00 0.00 C ATOM 1654 CG LYS A 119 -6.136 -18.288 -0.750 1.00 0.00 C ATOM 1655 CD LYS A 119 -5.627 -18.566 -2.167 1.00 0.00 C ATOM 1656 CE LYS A 119 -6.785 -18.893 -3.110 1.00 0.00 C ATOM 1657 NZ LYS A 119 -6.563 -20.199 -3.772 1.00 0.00 N ATOM 0 H LYS A 119 -3.873 -17.069 2.378 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.593 -18.011 1.593 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -4.216 -17.696 0.039 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -4.559 -19.406 0.210 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -6.934 -18.988 -0.502 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -6.565 -17.287 -0.703 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -5.084 -17.697 -2.539 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -4.923 -19.398 -2.148 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -7.721 -18.916 -2.552 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -6.882 -18.110 -3.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -7.359 -20.405 -4.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -5.680 -20.164 -4.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -6.493 -20.946 -3.052 1.00 0.00 H new