USER MOD reduce.3.24.130724 H: found=0, std=0, add=324, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 327 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 265 THR OG1 : rot 180:sc= 0 USER MOD Single : A 269 SER OG : rot 180:sc= -0.0704 USER MOD Single : A 272 ASN : amide:sc= -0.925 K(o=-0.92,f=-1.6!) USER MOD Single : A 273 LYS NZ :NH3+ -157:sc= -0.885 (180deg=-1.97!) USER MOD Single : A 278 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 279 GLN : amide:sc= -0.132 K(o=-0.13,f=-1.2!) USER MOD Single : A 280 MET CE :methyl -120:sc= -4.45! (180deg=-6.85!) USER MOD Single : A 285 SER OG : rot 67:sc= 0.94 USER MOD Single : A 286 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 291 THR OG1 : rot 180:sc= 0 USER MOD Single : A 292 TYR OH : rot 180:sc= 0 USER MOD Single : A 294 LYS NZ :NH3+ -125:sc= -0.0124 (180deg=-0.283) USER MOD Single : A 296 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 298 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 300 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 264 -17.252 2.767 13.130 1.00 0.00 N ATOM 2 CA ILE A 264 -17.286 1.817 11.981 1.00 0.00 C ATOM 3 C ILE A 264 -15.931 1.118 11.833 1.00 0.00 C ATOM 4 O ILE A 264 -15.108 1.505 11.028 1.00 0.00 O ATOM 5 CB ILE A 264 -17.577 2.686 10.758 1.00 0.00 C ATOM 6 CG1 ILE A 264 -17.497 1.828 9.493 1.00 0.00 C ATOM 7 CG2 ILE A 264 -16.546 3.813 10.675 1.00 0.00 C ATOM 8 CD1 ILE A 264 -18.448 0.637 9.623 1.00 0.00 C ATOM 0 HA ILE A 264 -18.034 1.035 12.113 1.00 0.00 H new ATOM 0 HB ILE A 264 -18.576 3.114 10.846 1.00 0.00 H new ATOM 0 HG12 ILE A 264 -17.761 2.424 8.619 1.00 0.00 H new ATOM 0 HG13 ILE A 264 -16.476 1.477 9.343 1.00 0.00 H new ATOM 0 HG21 ILE A 264 -16.754 4.433 9.803 1.00 0.00 H new ATOM 0 HG22 ILE A 264 -16.602 4.424 11.576 1.00 0.00 H new ATOM 0 HG23 ILE A 264 -15.547 3.386 10.587 1.00 0.00 H new ATOM 0 HD11 ILE A 264 -18.391 0.026 8.722 1.00 0.00 H new ATOM 0 HD12 ILE A 264 -18.163 0.037 10.487 1.00 0.00 H new ATOM 0 HD13 ILE A 264 -19.468 0.998 9.752 1.00 0.00 H new ATOM 22 N THR A 265 -15.694 0.093 12.605 1.00 0.00 N ATOM 23 CA THR A 265 -14.392 -0.628 12.506 1.00 0.00 C ATOM 24 C THR A 265 -14.251 -1.278 11.128 1.00 0.00 C ATOM 25 O THR A 265 -15.224 -1.513 10.439 1.00 0.00 O ATOM 26 CB THR A 265 -14.444 -1.694 13.602 1.00 0.00 C ATOM 27 OG1 THR A 265 -13.230 -2.432 13.599 1.00 0.00 O ATOM 28 CG2 THR A 265 -15.619 -2.639 13.346 1.00 0.00 C ATOM 0 H THR A 265 -16.344 -0.276 13.299 1.00 0.00 H new ATOM 0 HA THR A 265 -13.539 0.040 12.629 1.00 0.00 H new ATOM 0 HB THR A 265 -14.575 -1.212 14.571 1.00 0.00 H new ATOM 0 HG1 THR A 265 -13.260 -3.115 14.302 1.00 0.00 H new ATOM 0 HG21 THR A 265 -15.653 -3.397 14.128 1.00 0.00 H new ATOM 0 HG22 THR A 265 -16.550 -2.072 13.349 1.00 0.00 H new ATOM 0 HG23 THR A 265 -15.493 -3.123 12.377 1.00 0.00 H new ATOM 36 N GLY A 266 -13.046 -1.570 10.720 1.00 0.00 N ATOM 37 CA GLY A 266 -12.844 -2.204 9.386 1.00 0.00 C ATOM 38 C GLY A 266 -12.843 -1.125 8.300 1.00 0.00 C ATOM 39 O GLY A 266 -13.794 -0.978 7.558 1.00 0.00 O ATOM 0 H GLY A 266 -12.193 -1.397 11.252 1.00 0.00 H new ATOM 0 HA2 GLY A 266 -11.901 -2.750 9.371 1.00 0.00 H new ATOM 0 HA3 GLY A 266 -13.635 -2.928 9.193 1.00 0.00 H new ATOM 43 N ASP A 267 -11.783 -0.371 8.201 1.00 0.00 N ATOM 44 CA ASP A 267 -11.722 0.698 7.161 1.00 0.00 C ATOM 45 C ASP A 267 -11.961 0.099 5.772 1.00 0.00 C ATOM 46 O ASP A 267 -11.397 -0.917 5.418 1.00 0.00 O ATOM 47 CB ASP A 267 -10.308 1.270 7.265 1.00 0.00 C ATOM 48 CG ASP A 267 -10.385 2.764 7.588 1.00 0.00 C ATOM 49 OD1 ASP A 267 -11.341 3.393 7.167 1.00 0.00 O ATOM 50 OD2 ASP A 267 -9.485 3.253 8.251 1.00 0.00 O ATOM 0 H ASP A 267 -10.957 -0.448 8.794 1.00 0.00 H new ATOM 0 HA ASP A 267 -12.483 1.464 7.310 1.00 0.00 H new ATOM 0 HB2 ASP A 267 -9.749 0.747 8.041 1.00 0.00 H new ATOM 0 HB3 ASP A 267 -9.772 1.117 6.328 1.00 0.00 H new ATOM 55 N VAL A 268 -12.795 0.721 4.985 1.00 0.00 N ATOM 56 CA VAL A 268 -13.074 0.188 3.620 1.00 0.00 C ATOM 57 C VAL A 268 -11.916 0.511 2.674 1.00 0.00 C ATOM 58 O VAL A 268 -10.979 1.195 3.035 1.00 0.00 O ATOM 59 CB VAL A 268 -14.348 0.903 3.171 1.00 0.00 C ATOM 60 CG1 VAL A 268 -14.830 0.309 1.846 1.00 0.00 C ATOM 61 CG2 VAL A 268 -15.434 0.723 4.235 1.00 0.00 C ATOM 0 H VAL A 268 -13.296 1.576 5.228 1.00 0.00 H new ATOM 0 HA VAL A 268 -13.190 -0.896 3.617 1.00 0.00 H new ATOM 0 HB VAL A 268 -14.140 1.965 3.037 1.00 0.00 H new ATOM 0 HG11 VAL A 268 -15.739 0.820 1.527 1.00 0.00 H new ATOM 0 HG12 VAL A 268 -14.057 0.436 1.088 1.00 0.00 H new ATOM 0 HG13 VAL A 268 -15.038 -0.753 1.978 1.00 0.00 H new ATOM 0 HG21 VAL A 268 -16.343 1.232 3.916 1.00 0.00 H new ATOM 0 HG22 VAL A 268 -15.640 -0.339 4.368 1.00 0.00 H new ATOM 0 HG23 VAL A 268 -15.092 1.147 5.179 1.00 0.00 H new ATOM 71 N SER A 269 -11.975 0.023 1.463 1.00 0.00 N ATOM 72 CA SER A 269 -10.879 0.304 0.492 1.00 0.00 C ATOM 73 C SER A 269 -10.461 1.772 0.590 1.00 0.00 C ATOM 74 O SER A 269 -9.301 2.108 0.463 1.00 0.00 O ATOM 75 CB SER A 269 -11.481 0.008 -0.882 1.00 0.00 C ATOM 76 OG SER A 269 -12.734 0.669 -0.998 1.00 0.00 O ATOM 0 H SER A 269 -12.734 -0.557 1.105 1.00 0.00 H new ATOM 0 HA SER A 269 -9.990 -0.297 0.683 1.00 0.00 H new ATOM 0 HB2 SER A 269 -10.805 0.345 -1.668 1.00 0.00 H new ATOM 0 HB3 SER A 269 -11.610 -1.067 -1.011 1.00 0.00 H new ATOM 0 HG SER A 269 -13.122 0.483 -1.878 1.00 0.00 H new ATOM 82 N ALA A 270 -11.401 2.647 0.821 1.00 0.00 N ATOM 83 CA ALA A 270 -11.065 4.092 0.933 1.00 0.00 C ATOM 84 C ALA A 270 -9.792 4.272 1.763 1.00 0.00 C ATOM 85 O ALA A 270 -8.804 4.805 1.296 1.00 0.00 O ATOM 86 CB ALA A 270 -12.262 4.721 1.646 1.00 0.00 C ATOM 0 H ALA A 270 -12.389 2.422 0.937 1.00 0.00 H new ATOM 0 HA ALA A 270 -10.881 4.552 -0.038 1.00 0.00 H new ATOM 0 HB1 ALA A 270 -12.092 5.791 1.768 1.00 0.00 H new ATOM 0 HB2 ALA A 270 -13.163 4.562 1.054 1.00 0.00 H new ATOM 0 HB3 ALA A 270 -12.386 4.259 2.626 1.00 0.00 H new ATOM 92 N ALA A 271 -9.808 3.834 2.992 1.00 0.00 N ATOM 93 CA ALA A 271 -8.607 3.980 3.850 1.00 0.00 C ATOM 94 C ALA A 271 -7.531 2.973 3.435 1.00 0.00 C ATOM 95 O ALA A 271 -6.395 3.327 3.194 1.00 0.00 O ATOM 96 CB ALA A 271 -9.096 3.693 5.269 1.00 0.00 C ATOM 0 H ALA A 271 -10.606 3.380 3.437 1.00 0.00 H new ATOM 0 HA ALA A 271 -8.159 4.970 3.767 1.00 0.00 H new ATOM 0 HB1 ALA A 271 -8.263 3.781 5.966 1.00 0.00 H new ATOM 0 HB2 ALA A 271 -9.872 4.410 5.538 1.00 0.00 H new ATOM 0 HB3 ALA A 271 -9.503 2.683 5.316 1.00 0.00 H new ATOM 102 N ASN A 272 -7.883 1.718 3.349 1.00 0.00 N ATOM 103 CA ASN A 272 -6.882 0.688 2.949 1.00 0.00 C ATOM 104 C ASN A 272 -6.039 1.196 1.776 1.00 0.00 C ATOM 105 O ASN A 272 -4.871 1.497 1.923 1.00 0.00 O ATOM 106 CB ASN A 272 -7.710 -0.526 2.527 1.00 0.00 C ATOM 107 CG ASN A 272 -8.268 -1.222 3.769 1.00 0.00 C ATOM 108 OD1 ASN A 272 -9.464 -1.397 3.896 1.00 0.00 O ATOM 109 ND2 ASN A 272 -7.447 -1.629 4.699 1.00 0.00 N ATOM 0 H ASN A 272 -8.820 1.362 3.538 1.00 0.00 H new ATOM 0 HA ASN A 272 -6.190 0.449 3.757 1.00 0.00 H new ATOM 0 HB2 ASN A 272 -8.526 -0.214 1.875 1.00 0.00 H new ATOM 0 HB3 ASN A 272 -7.093 -1.219 1.956 1.00 0.00 H new ATOM 0 HD21 ASN A 272 -7.809 -2.094 5.532 1.00 0.00 H new ATOM 0 HD22 ASN A 272 -6.443 -1.482 4.593 1.00 0.00 H new ATOM 116 N LYS A 273 -6.622 1.290 0.612 1.00 0.00 N ATOM 117 CA LYS A 273 -5.856 1.776 -0.570 1.00 0.00 C ATOM 118 C LYS A 273 -4.982 2.971 -0.180 1.00 0.00 C ATOM 119 O LYS A 273 -3.770 2.903 -0.218 1.00 0.00 O ATOM 120 CB LYS A 273 -6.918 2.195 -1.587 1.00 0.00 C ATOM 121 CG LYS A 273 -6.997 1.152 -2.703 1.00 0.00 C ATOM 122 CD LYS A 273 -8.256 1.390 -3.538 1.00 0.00 C ATOM 123 CE LYS A 273 -8.063 0.794 -4.934 1.00 0.00 C ATOM 124 NZ LYS A 273 -8.771 -0.516 -4.894 1.00 0.00 N ATOM 0 H LYS A 273 -7.597 1.051 0.429 1.00 0.00 H new ATOM 0 HA LYS A 273 -5.188 1.013 -0.971 1.00 0.00 H new ATOM 0 HB2 LYS A 273 -7.887 2.293 -1.097 1.00 0.00 H new ATOM 0 HB3 LYS A 273 -6.672 3.171 -2.004 1.00 0.00 H new ATOM 0 HG2 LYS A 273 -6.112 1.214 -3.336 1.00 0.00 H new ATOM 0 HG3 LYS A 273 -7.015 0.149 -2.277 1.00 0.00 H new ATOM 0 HD2 LYS A 273 -9.119 0.934 -3.052 1.00 0.00 H new ATOM 0 HD3 LYS A 273 -8.460 2.458 -3.612 1.00 0.00 H new ATOM 0 HE2 LYS A 273 -8.480 1.445 -5.702 1.00 0.00 H new ATOM 0 HE3 LYS A 273 -7.006 0.665 -5.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 273 -8.381 -1.144 -5.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 273 -8.641 -0.952 -3.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 273 -9.785 -0.368 -5.069 1.00 0.00 H new ATOM 138 N ASP A 274 -5.590 4.065 0.193 1.00 0.00 N ATOM 139 CA ASP A 274 -4.797 5.264 0.585 1.00 0.00 C ATOM 140 C ASP A 274 -3.601 4.849 1.446 1.00 0.00 C ATOM 141 O ASP A 274 -2.460 5.037 1.073 1.00 0.00 O ATOM 142 CB ASP A 274 -5.764 6.131 1.392 1.00 0.00 C ATOM 143 CG ASP A 274 -5.027 7.366 1.914 1.00 0.00 C ATOM 144 OD1 ASP A 274 -4.969 8.347 1.192 1.00 0.00 O ATOM 145 OD2 ASP A 274 -4.532 7.309 3.028 1.00 0.00 O ATOM 0 H ASP A 274 -6.602 4.179 0.243 1.00 0.00 H new ATOM 0 HA ASP A 274 -4.397 5.795 -0.279 1.00 0.00 H new ATOM 0 HB2 ASP A 274 -6.606 6.433 0.769 1.00 0.00 H new ATOM 0 HB3 ASP A 274 -6.173 5.559 2.225 1.00 0.00 H new ATOM 150 N ALA A 275 -3.853 4.286 2.595 1.00 0.00 N ATOM 151 CA ALA A 275 -2.732 3.859 3.477 1.00 0.00 C ATOM 152 C ALA A 275 -1.647 3.161 2.652 1.00 0.00 C ATOM 153 O ALA A 275 -0.516 3.600 2.596 1.00 0.00 O ATOM 154 CB ALA A 275 -3.360 2.882 4.471 1.00 0.00 C ATOM 0 H ALA A 275 -4.787 4.103 2.961 1.00 0.00 H new ATOM 0 HA ALA A 275 -2.257 4.702 3.979 1.00 0.00 H new ATOM 0 HB1 ALA A 275 -2.595 2.521 5.158 1.00 0.00 H new ATOM 0 HB2 ALA A 275 -4.144 3.389 5.034 1.00 0.00 H new ATOM 0 HB3 ALA A 275 -3.790 2.039 3.930 1.00 0.00 H new ATOM 160 N ILE A 276 -1.984 2.073 2.013 1.00 0.00 N ATOM 161 CA ILE A 276 -0.976 1.345 1.196 1.00 0.00 C ATOM 162 C ILE A 276 -0.207 2.325 0.306 1.00 0.00 C ATOM 163 O ILE A 276 1.006 2.381 0.333 1.00 0.00 O ATOM 164 CB ILE A 276 -1.785 0.367 0.344 1.00 0.00 C ATOM 165 CG1 ILE A 276 -2.455 -0.666 1.253 1.00 0.00 C ATOM 166 CG2 ILE A 276 -0.854 -0.347 -0.637 1.00 0.00 C ATOM 167 CD1 ILE A 276 -3.272 -1.641 0.403 1.00 0.00 C ATOM 0 H ILE A 276 -2.916 1.658 2.023 1.00 0.00 H new ATOM 0 HA ILE A 276 -0.238 0.832 1.813 1.00 0.00 H new ATOM 0 HB ILE A 276 -2.547 0.914 -0.211 1.00 0.00 H new ATOM 0 HG12 ILE A 276 -1.700 -1.208 1.823 1.00 0.00 H new ATOM 0 HG13 ILE A 276 -3.101 -0.166 1.974 1.00 0.00 H new ATOM 0 HG21 ILE A 276 -1.431 -1.044 -1.244 1.00 0.00 H new ATOM 0 HG22 ILE A 276 -0.375 0.388 -1.284 1.00 0.00 H new ATOM 0 HG23 ILE A 276 -0.091 -0.894 -0.082 1.00 0.00 H new ATOM 0 HD11 ILE A 276 -3.749 -2.377 1.051 1.00 0.00 H new ATOM 0 HD12 ILE A 276 -4.036 -1.092 -0.147 1.00 0.00 H new ATOM 0 HD13 ILE A 276 -2.614 -2.150 -0.301 1.00 0.00 H new ATOM 179 N ARG A 277 -0.905 3.099 -0.483 1.00 0.00 N ATOM 180 CA ARG A 277 -0.214 4.076 -1.373 1.00 0.00 C ATOM 181 C ARG A 277 0.925 4.763 -0.616 1.00 0.00 C ATOM 182 O ARG A 277 2.088 4.537 -0.886 1.00 0.00 O ATOM 183 CB ARG A 277 -1.290 5.092 -1.760 1.00 0.00 C ATOM 184 CG ARG A 277 -1.951 4.667 -3.072 1.00 0.00 C ATOM 185 CD ARG A 277 -3.055 5.663 -3.435 1.00 0.00 C ATOM 186 NE ARG A 277 -4.136 4.835 -4.039 1.00 0.00 N ATOM 187 CZ ARG A 277 -5.345 5.316 -4.153 1.00 0.00 C ATOM 188 NH1 ARG A 277 -5.614 6.525 -3.737 1.00 0.00 N ATOM 189 NH2 ARG A 277 -6.288 4.586 -4.685 1.00 0.00 N ATOM 0 H ARG A 277 -1.923 3.096 -0.549 1.00 0.00 H new ATOM 0 HA ARG A 277 0.227 3.598 -2.248 1.00 0.00 H new ATOM 0 HB2 ARG A 277 -2.038 5.162 -0.971 1.00 0.00 H new ATOM 0 HB3 ARG A 277 -0.847 6.082 -1.869 1.00 0.00 H new ATOM 0 HG2 ARG A 277 -1.208 4.625 -3.869 1.00 0.00 H new ATOM 0 HG3 ARG A 277 -2.369 3.665 -2.973 1.00 0.00 H new ATOM 0 HD2 ARG A 277 -3.412 6.196 -2.554 1.00 0.00 H new ATOM 0 HD3 ARG A 277 -2.694 6.414 -4.137 1.00 0.00 H new ATOM 0 HE ARG A 277 -3.932 3.890 -4.364 1.00 0.00 H new ATOM 0 HH11 ARG A 277 -4.879 7.097 -3.321 1.00 0.00 H new ATOM 0 HH12 ARG A 277 -6.559 6.897 -3.828 1.00 0.00 H new ATOM 0 HH21 ARG A 277 -6.080 3.642 -5.011 1.00 0.00 H new ATOM 0 HH22 ARG A 277 -7.233 4.960 -4.775 1.00 0.00 H new ATOM 203 N LYS A 278 0.600 5.599 0.331 1.00 0.00 N ATOM 204 CA LYS A 278 1.662 6.298 1.104 1.00 0.00 C ATOM 205 C LYS A 278 2.718 5.294 1.573 1.00 0.00 C ATOM 206 O LYS A 278 3.887 5.420 1.268 1.00 0.00 O ATOM 207 CB LYS A 278 0.940 6.917 2.301 1.00 0.00 C ATOM 208 CG LYS A 278 1.221 8.420 2.346 1.00 0.00 C ATOM 209 CD LYS A 278 1.770 8.796 3.724 1.00 0.00 C ATOM 210 CE LYS A 278 3.165 9.407 3.570 1.00 0.00 C ATOM 211 NZ LYS A 278 3.824 9.198 4.889 1.00 0.00 N ATOM 0 H LYS A 278 -0.356 5.828 0.602 1.00 0.00 H new ATOM 0 HA LYS A 278 2.180 7.050 0.509 1.00 0.00 H new ATOM 0 HB2 LYS A 278 -0.133 6.739 2.224 1.00 0.00 H new ATOM 0 HB3 LYS A 278 1.276 6.446 3.225 1.00 0.00 H new ATOM 0 HG2 LYS A 278 1.938 8.690 1.571 1.00 0.00 H new ATOM 0 HG3 LYS A 278 0.307 8.978 2.142 1.00 0.00 H new ATOM 0 HD2 LYS A 278 1.102 9.506 4.211 1.00 0.00 H new ATOM 0 HD3 LYS A 278 1.817 7.913 4.362 1.00 0.00 H new ATOM 0 HE2 LYS A 278 3.722 8.922 2.769 1.00 0.00 H new ATOM 0 HE3 LYS A 278 3.107 10.467 3.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 278 4.786 9.591 4.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 278 3.275 9.677 5.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 278 3.872 8.180 5.096 1.00 0.00 H new ATOM 225 N GLN A 279 2.312 4.299 2.315 1.00 0.00 N ATOM 226 CA GLN A 279 3.287 3.285 2.806 1.00 0.00 C ATOM 227 C GLN A 279 4.275 2.919 1.696 1.00 0.00 C ATOM 228 O GLN A 279 5.475 3.010 1.863 1.00 0.00 O ATOM 229 CB GLN A 279 2.437 2.073 3.188 1.00 0.00 C ATOM 230 CG GLN A 279 2.663 1.734 4.662 1.00 0.00 C ATOM 231 CD GLN A 279 1.815 2.661 5.535 1.00 0.00 C ATOM 232 OE1 GLN A 279 0.724 3.039 5.158 1.00 0.00 O ATOM 233 NE2 GLN A 279 2.274 3.045 6.695 1.00 0.00 N ATOM 0 H GLN A 279 1.345 4.145 2.602 1.00 0.00 H new ATOM 0 HA GLN A 279 3.877 3.652 3.646 1.00 0.00 H new ATOM 0 HB2 GLN A 279 1.383 2.285 3.010 1.00 0.00 H new ATOM 0 HB3 GLN A 279 2.700 1.220 2.563 1.00 0.00 H new ATOM 0 HG2 GLN A 279 2.397 0.694 4.852 1.00 0.00 H new ATOM 0 HG3 GLN A 279 3.718 1.844 4.914 1.00 0.00 H new ATOM 0 HE21 GLN A 279 3.190 2.727 7.011 1.00 0.00 H new ATOM 0 HE22 GLN A 279 1.716 3.663 7.285 1.00 0.00 H new ATOM 242 N MET A 280 3.778 2.507 0.562 1.00 0.00 N ATOM 243 CA MET A 280 4.688 2.136 -0.559 1.00 0.00 C ATOM 244 C MET A 280 5.719 3.242 -0.787 1.00 0.00 C ATOM 245 O MET A 280 6.909 3.029 -0.664 1.00 0.00 O ATOM 246 CB MET A 280 3.777 1.990 -1.777 1.00 0.00 C ATOM 247 CG MET A 280 3.474 0.510 -2.013 1.00 0.00 C ATOM 248 SD MET A 280 4.156 0.002 -3.609 1.00 0.00 S ATOM 249 CE MET A 280 3.437 1.337 -4.596 1.00 0.00 C ATOM 0 H MET A 280 2.782 2.411 0.363 1.00 0.00 H new ATOM 0 HA MET A 280 5.244 1.221 -0.356 1.00 0.00 H new ATOM 0 HB2 MET A 280 2.850 2.541 -1.619 1.00 0.00 H new ATOM 0 HB3 MET A 280 4.257 2.419 -2.657 1.00 0.00 H new ATOM 0 HG2 MET A 280 3.905 -0.092 -1.213 1.00 0.00 H new ATOM 0 HG3 MET A 280 2.397 0.341 -1.995 1.00 0.00 H new ATOM 0 HE1 MET A 280 2.792 0.914 -5.366 1.00 0.00 H new ATOM 0 HE2 MET A 280 2.851 1.991 -3.951 1.00 0.00 H new ATOM 0 HE3 MET A 280 4.235 1.911 -5.067 1.00 0.00 H new ATOM 259 N ASP A 281 5.272 4.424 -1.116 1.00 0.00 N ATOM 260 CA ASP A 281 6.228 5.544 -1.347 1.00 0.00 C ATOM 261 C ASP A 281 7.318 5.528 -0.274 1.00 0.00 C ATOM 262 O ASP A 281 8.488 5.374 -0.563 1.00 0.00 O ATOM 263 CB ASP A 281 5.382 6.814 -1.235 1.00 0.00 C ATOM 264 CG ASP A 281 6.013 7.925 -2.076 1.00 0.00 C ATOM 265 OD1 ASP A 281 6.505 7.622 -3.150 1.00 0.00 O ATOM 266 OD2 ASP A 281 5.993 9.061 -1.631 1.00 0.00 O ATOM 0 H ASP A 281 4.287 4.662 -1.235 1.00 0.00 H new ATOM 0 HA ASP A 281 6.728 5.473 -2.313 1.00 0.00 H new ATOM 0 HB2 ASP A 281 4.366 6.618 -1.577 1.00 0.00 H new ATOM 0 HB3 ASP A 281 5.313 7.127 -0.193 1.00 0.00 H new ATOM 271 N ALA A 282 6.940 5.684 0.964 1.00 0.00 N ATOM 272 CA ALA A 282 7.946 5.676 2.057 1.00 0.00 C ATOM 273 C ALA A 282 8.732 4.361 2.045 1.00 0.00 C ATOM 274 O ALA A 282 9.923 4.342 1.812 1.00 0.00 O ATOM 275 CB ALA A 282 7.132 5.803 3.345 1.00 0.00 C ATOM 0 H ALA A 282 5.974 5.817 1.265 1.00 0.00 H new ATOM 0 HA ALA A 282 8.674 6.481 1.954 1.00 0.00 H new ATOM 0 HB1 ALA A 282 7.805 5.805 4.202 1.00 0.00 H new ATOM 0 HB2 ALA A 282 6.565 6.734 3.327 1.00 0.00 H new ATOM 0 HB3 ALA A 282 6.444 4.961 3.425 1.00 0.00 H new ATOM 281 N ALA A 283 8.073 3.263 2.296 1.00 0.00 N ATOM 282 CA ALA A 283 8.780 1.949 2.305 1.00 0.00 C ATOM 283 C ALA A 283 9.642 1.791 1.049 1.00 0.00 C ATOM 284 O ALA A 283 10.568 1.006 1.018 1.00 0.00 O ATOM 285 CB ALA A 283 7.665 0.903 2.323 1.00 0.00 C ATOM 0 H ALA A 283 7.074 3.218 2.496 1.00 0.00 H new ATOM 0 HA ALA A 283 9.451 1.851 3.158 1.00 0.00 H new ATOM 0 HB1 ALA A 283 8.103 -0.095 2.330 1.00 0.00 H new ATOM 0 HB2 ALA A 283 7.054 1.038 3.215 1.00 0.00 H new ATOM 0 HB3 ALA A 283 7.042 1.020 1.436 1.00 0.00 H new ATOM 291 N ALA A 284 9.345 2.526 0.013 1.00 0.00 N ATOM 292 CA ALA A 284 10.151 2.406 -1.235 1.00 0.00 C ATOM 293 C ALA A 284 11.484 3.147 -1.087 1.00 0.00 C ATOM 294 O ALA A 284 12.524 2.544 -0.909 1.00 0.00 O ATOM 295 CB ALA A 284 9.294 3.052 -2.326 1.00 0.00 C ATOM 0 H ALA A 284 8.582 3.202 -0.024 1.00 0.00 H new ATOM 0 HA ALA A 284 10.394 1.369 -1.467 1.00 0.00 H new ATOM 0 HB1 ALA A 284 9.821 3.003 -3.279 1.00 0.00 H new ATOM 0 HB2 ALA A 284 8.346 2.519 -2.407 1.00 0.00 H new ATOM 0 HB3 ALA A 284 9.104 4.094 -2.070 1.00 0.00 H new ATOM 301 N SER A 285 11.463 4.450 -1.168 1.00 0.00 N ATOM 302 CA SER A 285 12.729 5.227 -1.042 1.00 0.00 C ATOM 303 C SER A 285 13.057 5.500 0.430 1.00 0.00 C ATOM 304 O SER A 285 13.448 6.591 0.793 1.00 0.00 O ATOM 305 CB SER A 285 12.460 6.537 -1.780 1.00 0.00 C ATOM 306 OG SER A 285 11.804 7.444 -0.903 1.00 0.00 O ATOM 0 H SER A 285 10.623 5.010 -1.316 1.00 0.00 H new ATOM 0 HA SER A 285 13.581 4.687 -1.454 1.00 0.00 H new ATOM 0 HB2 SER A 285 13.397 6.968 -2.133 1.00 0.00 H new ATOM 0 HB3 SER A 285 11.843 6.352 -2.659 1.00 0.00 H new ATOM 0 HG SER A 285 12.415 7.701 -0.181 1.00 0.00 H new ATOM 312 N LYS A 286 12.907 4.521 1.281 1.00 0.00 N ATOM 313 CA LYS A 286 13.218 4.740 2.720 1.00 0.00 C ATOM 314 C LYS A 286 14.174 3.661 3.234 1.00 0.00 C ATOM 315 O LYS A 286 14.654 3.725 4.349 1.00 0.00 O ATOM 316 CB LYS A 286 11.871 4.651 3.439 1.00 0.00 C ATOM 317 CG LYS A 286 12.092 4.731 4.951 1.00 0.00 C ATOM 318 CD LYS A 286 10.741 4.666 5.668 1.00 0.00 C ATOM 319 CE LYS A 286 10.906 3.936 7.002 1.00 0.00 C ATOM 320 NZ LYS A 286 10.996 5.016 8.023 1.00 0.00 N ATOM 0 H LYS A 286 12.584 3.583 1.042 1.00 0.00 H new ATOM 0 HA LYS A 286 13.708 5.699 2.889 1.00 0.00 H new ATOM 0 HB2 LYS A 286 11.219 5.461 3.113 1.00 0.00 H new ATOM 0 HB3 LYS A 286 11.371 3.717 3.183 1.00 0.00 H new ATOM 0 HG2 LYS A 286 12.730 3.911 5.280 1.00 0.00 H new ATOM 0 HG3 LYS A 286 12.607 5.657 5.206 1.00 0.00 H new ATOM 0 HD2 LYS A 286 10.358 5.672 5.837 1.00 0.00 H new ATOM 0 HD3 LYS A 286 10.011 4.148 5.046 1.00 0.00 H new ATOM 0 HE2 LYS A 286 10.061 3.277 7.198 1.00 0.00 H new ATOM 0 HE3 LYS A 286 11.802 3.315 7.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 286 11.111 4.593 8.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 286 11.814 5.624 7.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 286 10.127 5.586 8.003 1.00 0.00 H new ATOM 334 N GLY A 287 14.454 2.671 2.434 1.00 0.00 N ATOM 335 CA GLY A 287 15.378 1.592 2.883 1.00 0.00 C ATOM 336 C GLY A 287 14.658 0.247 2.809 1.00 0.00 C ATOM 337 O GLY A 287 15.220 -0.748 2.395 1.00 0.00 O ATOM 0 H GLY A 287 14.084 2.562 1.490 1.00 0.00 H new ATOM 0 HA2 GLY A 287 16.269 1.576 2.255 1.00 0.00 H new ATOM 0 HA3 GLY A 287 15.711 1.784 3.903 1.00 0.00 H new ATOM 341 N ASP A 288 13.415 0.209 3.202 1.00 0.00 N ATOM 342 CA ASP A 288 12.657 -1.071 3.147 1.00 0.00 C ATOM 343 C ASP A 288 12.178 -1.325 1.718 1.00 0.00 C ATOM 344 O ASP A 288 11.011 -1.557 1.472 1.00 0.00 O ATOM 345 CB ASP A 288 11.468 -0.869 4.087 1.00 0.00 C ATOM 346 CG ASP A 288 11.541 -1.885 5.229 1.00 0.00 C ATOM 347 OD1 ASP A 288 11.447 -3.068 4.949 1.00 0.00 O ATOM 348 OD2 ASP A 288 11.690 -1.461 6.363 1.00 0.00 O ATOM 0 H ASP A 288 12.892 1.009 3.559 1.00 0.00 H new ATOM 0 HA ASP A 288 13.261 -1.929 3.441 1.00 0.00 H new ATOM 0 HB2 ASP A 288 11.475 0.145 4.487 1.00 0.00 H new ATOM 0 HB3 ASP A 288 10.533 -0.989 3.539 1.00 0.00 H new ATOM 353 N VAL A 289 13.076 -1.280 0.774 1.00 0.00 N ATOM 354 CA VAL A 289 12.682 -1.516 -0.644 1.00 0.00 C ATOM 355 C VAL A 289 12.121 -2.930 -0.802 1.00 0.00 C ATOM 356 O VAL A 289 11.289 -3.187 -1.648 1.00 0.00 O ATOM 357 CB VAL A 289 13.970 -1.344 -1.451 1.00 0.00 C ATOM 358 CG1 VAL A 289 13.627 -1.202 -2.934 1.00 0.00 C ATOM 359 CG2 VAL A 289 14.702 -0.084 -0.979 1.00 0.00 C ATOM 0 H VAL A 289 14.067 -1.090 0.923 1.00 0.00 H new ATOM 0 HA VAL A 289 11.905 -0.829 -0.981 1.00 0.00 H new ATOM 0 HB VAL A 289 14.609 -2.215 -1.305 1.00 0.00 H new ATOM 0 HG11 VAL A 289 14.545 -1.079 -3.510 1.00 0.00 H new ATOM 0 HG12 VAL A 289 13.102 -2.095 -3.273 1.00 0.00 H new ATOM 0 HG13 VAL A 289 12.989 -0.330 -3.078 1.00 0.00 H new ATOM 0 HG21 VAL A 289 15.620 0.040 -1.553 1.00 0.00 H new ATOM 0 HG22 VAL A 289 14.062 0.786 -1.126 1.00 0.00 H new ATOM 0 HG23 VAL A 289 14.946 -0.180 0.079 1.00 0.00 H new ATOM 369 N GLU A 290 12.559 -3.849 0.013 1.00 0.00 N ATOM 370 CA GLU A 290 12.034 -5.233 -0.089 1.00 0.00 C ATOM 371 C GLU A 290 10.506 -5.192 -0.090 1.00 0.00 C ATOM 372 O GLU A 290 9.862 -5.534 -1.063 1.00 0.00 O ATOM 373 CB GLU A 290 12.552 -5.941 1.161 1.00 0.00 C ATOM 374 CG GLU A 290 12.481 -7.456 0.959 1.00 0.00 C ATOM 375 CD GLU A 290 11.416 -8.045 1.886 1.00 0.00 C ATOM 376 OE1 GLU A 290 11.640 -8.050 3.085 1.00 0.00 O ATOM 377 OE2 GLU A 290 10.395 -8.481 1.381 1.00 0.00 O ATOM 0 H GLU A 290 13.256 -3.699 0.742 1.00 0.00 H new ATOM 0 HA GLU A 290 12.349 -5.742 -1.000 1.00 0.00 H new ATOM 0 HB2 GLU A 290 13.580 -5.639 1.363 1.00 0.00 H new ATOM 0 HB3 GLU A 290 11.958 -5.651 2.028 1.00 0.00 H new ATOM 0 HG2 GLU A 290 12.241 -7.684 -0.079 1.00 0.00 H new ATOM 0 HG3 GLU A 290 13.451 -7.907 1.169 1.00 0.00 H new ATOM 384 N THR A 291 9.926 -4.766 0.996 1.00 0.00 N ATOM 385 CA THR A 291 8.444 -4.687 1.073 1.00 0.00 C ATOM 386 C THR A 291 7.901 -3.838 -0.079 1.00 0.00 C ATOM 387 O THR A 291 6.920 -4.184 -0.707 1.00 0.00 O ATOM 388 CB THR A 291 8.152 -4.017 2.416 1.00 0.00 C ATOM 389 OG1 THR A 291 8.681 -4.815 3.466 1.00 0.00 O ATOM 390 CG2 THR A 291 6.641 -3.870 2.596 1.00 0.00 C ATOM 0 H THR A 291 10.419 -4.468 1.838 1.00 0.00 H new ATOM 0 HA THR A 291 7.973 -5.667 0.996 1.00 0.00 H new ATOM 0 HB THR A 291 8.616 -3.031 2.440 1.00 0.00 H new ATOM 0 HG1 THR A 291 8.496 -4.386 4.328 1.00 0.00 H new ATOM 0 HG21 THR A 291 6.433 -3.392 3.554 1.00 0.00 H new ATOM 0 HG22 THR A 291 6.236 -3.258 1.790 1.00 0.00 H new ATOM 0 HG23 THR A 291 6.174 -4.855 2.573 1.00 0.00 H new ATOM 398 N TYR A 292 8.532 -2.727 -0.361 1.00 0.00 N ATOM 399 CA TYR A 292 8.051 -1.856 -1.473 1.00 0.00 C ATOM 400 C TYR A 292 7.657 -2.715 -2.677 1.00 0.00 C ATOM 401 O TYR A 292 6.502 -2.790 -3.043 1.00 0.00 O ATOM 402 CB TYR A 292 9.239 -0.957 -1.817 1.00 0.00 C ATOM 403 CG TYR A 292 8.856 -0.009 -2.928 1.00 0.00 C ATOM 404 CD1 TYR A 292 7.537 0.451 -3.037 1.00 0.00 C ATOM 405 CD2 TYR A 292 9.821 0.411 -3.850 1.00 0.00 C ATOM 406 CE1 TYR A 292 7.186 1.331 -4.067 1.00 0.00 C ATOM 407 CE2 TYR A 292 9.470 1.291 -4.881 1.00 0.00 C ATOM 408 CZ TYR A 292 8.152 1.751 -4.989 1.00 0.00 C ATOM 409 OH TYR A 292 7.806 2.619 -6.005 1.00 0.00 O ATOM 0 H TYR A 292 9.358 -2.386 0.130 1.00 0.00 H new ATOM 0 HA TYR A 292 7.172 -1.274 -1.195 1.00 0.00 H new ATOM 0 HB2 TYR A 292 9.548 -0.394 -0.936 1.00 0.00 H new ATOM 0 HB3 TYR A 292 10.091 -1.565 -2.122 1.00 0.00 H new ATOM 0 HD1 TYR A 292 6.791 0.127 -2.326 1.00 0.00 H new ATOM 0 HD2 TYR A 292 10.838 0.056 -3.766 1.00 0.00 H new ATOM 0 HE1 TYR A 292 6.170 1.686 -4.151 1.00 0.00 H new ATOM 0 HE2 TYR A 292 10.215 1.615 -5.592 1.00 0.00 H new ATOM 0 HH TYR A 292 8.594 2.810 -6.555 1.00 0.00 H new ATOM 419 N ARG A 293 8.608 -3.367 -3.290 1.00 0.00 N ATOM 420 CA ARG A 293 8.282 -4.225 -4.464 1.00 0.00 C ATOM 421 C ARG A 293 7.009 -5.027 -4.181 1.00 0.00 C ATOM 422 O ARG A 293 5.970 -4.793 -4.770 1.00 0.00 O ATOM 423 CB ARG A 293 9.482 -5.160 -4.619 1.00 0.00 C ATOM 424 CG ARG A 293 10.516 -4.515 -5.543 1.00 0.00 C ATOM 425 CD ARG A 293 11.427 -3.595 -4.727 1.00 0.00 C ATOM 426 NE ARG A 293 12.800 -3.865 -5.236 1.00 0.00 N ATOM 427 CZ ARG A 293 13.384 -5.005 -4.978 1.00 0.00 C ATOM 428 NH1 ARG A 293 12.770 -5.911 -4.266 1.00 0.00 N ATOM 429 NH2 ARG A 293 14.586 -5.237 -5.430 1.00 0.00 N ATOM 0 H ARG A 293 9.594 -3.342 -3.029 1.00 0.00 H new ATOM 0 HA ARG A 293 8.103 -3.644 -5.369 1.00 0.00 H new ATOM 0 HB2 ARG A 293 9.926 -5.363 -3.645 1.00 0.00 H new ATOM 0 HB3 ARG A 293 9.160 -6.117 -5.029 1.00 0.00 H new ATOM 0 HG2 ARG A 293 11.108 -5.285 -6.037 1.00 0.00 H new ATOM 0 HG3 ARG A 293 10.015 -3.946 -6.326 1.00 0.00 H new ATOM 0 HD2 ARG A 293 11.154 -2.548 -4.862 1.00 0.00 H new ATOM 0 HD3 ARG A 293 11.352 -3.809 -3.661 1.00 0.00 H new ATOM 0 HE ARG A 293 13.286 -3.158 -5.788 1.00 0.00 H new ATOM 0 HH11 ARG A 293 11.832 -5.730 -3.909 1.00 0.00 H new ATOM 0 HH12 ARG A 293 13.229 -6.800 -4.066 1.00 0.00 H new ATOM 0 HH21 ARG A 293 15.068 -4.529 -5.984 1.00 0.00 H new ATOM 0 HH22 ARG A 293 15.043 -6.126 -5.230 1.00 0.00 H new ATOM 443 N LYS A 294 7.079 -5.965 -3.276 1.00 0.00 N ATOM 444 CA LYS A 294 5.873 -6.770 -2.949 1.00 0.00 C ATOM 445 C LYS A 294 4.667 -5.844 -2.787 1.00 0.00 C ATOM 446 O LYS A 294 3.638 -6.035 -3.405 1.00 0.00 O ATOM 447 CB LYS A 294 6.203 -7.462 -1.626 1.00 0.00 C ATOM 448 CG LYS A 294 4.941 -8.121 -1.067 1.00 0.00 C ATOM 449 CD LYS A 294 5.332 -9.321 -0.202 1.00 0.00 C ATOM 450 CE LYS A 294 5.040 -10.616 -0.962 1.00 0.00 C ATOM 451 NZ LYS A 294 3.559 -10.764 -0.914 1.00 0.00 N ATOM 0 H LYS A 294 7.919 -6.207 -2.751 1.00 0.00 H new ATOM 0 HA LYS A 294 5.626 -7.491 -3.728 1.00 0.00 H new ATOM 0 HB2 LYS A 294 6.980 -8.211 -1.779 1.00 0.00 H new ATOM 0 HB3 LYS A 294 6.595 -6.737 -0.912 1.00 0.00 H new ATOM 0 HG2 LYS A 294 4.374 -7.402 -0.475 1.00 0.00 H new ATOM 0 HG3 LYS A 294 4.294 -8.443 -1.883 1.00 0.00 H new ATOM 0 HD2 LYS A 294 6.390 -9.268 0.054 1.00 0.00 H new ATOM 0 HD3 LYS A 294 4.776 -9.304 0.735 1.00 0.00 H new ATOM 0 HE2 LYS A 294 5.398 -10.560 -1.990 1.00 0.00 H new ATOM 0 HE3 LYS A 294 5.537 -11.467 -0.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 294 3.316 -11.692 -0.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 294 3.154 -10.013 -0.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 294 3.171 -10.691 -1.876 1.00 0.00 H new ATOM 465 N LEU A 295 4.790 -4.837 -1.964 1.00 0.00 N ATOM 466 CA LEU A 295 3.658 -3.892 -1.764 1.00 0.00 C ATOM 467 C LEU A 295 3.017 -3.560 -3.112 1.00 0.00 C ATOM 468 O LEU A 295 1.851 -3.818 -3.336 1.00 0.00 O ATOM 469 CB LEU A 295 4.285 -2.643 -1.146 1.00 0.00 C ATOM 470 CG LEU A 295 3.513 -2.255 0.115 1.00 0.00 C ATOM 471 CD1 LEU A 295 2.040 -2.037 -0.235 1.00 0.00 C ATOM 472 CD2 LEU A 295 3.629 -3.379 1.148 1.00 0.00 C ATOM 0 H LEU A 295 5.628 -4.629 -1.421 1.00 0.00 H new ATOM 0 HA LEU A 295 2.876 -4.307 -1.128 1.00 0.00 H new ATOM 0 HB2 LEU A 295 5.330 -2.831 -0.902 1.00 0.00 H new ATOM 0 HB3 LEU A 295 4.268 -1.822 -1.863 1.00 0.00 H new ATOM 0 HG LEU A 295 3.929 -1.336 0.527 1.00 0.00 H new ATOM 0 HD11 LEU A 295 1.489 -1.760 0.664 1.00 0.00 H new ATOM 0 HD12 LEU A 295 1.956 -1.239 -0.972 1.00 0.00 H new ATOM 0 HD13 LEU A 295 1.624 -2.957 -0.647 1.00 0.00 H new ATOM 0 HD21 LEU A 295 3.079 -3.104 2.048 1.00 0.00 H new ATOM 0 HD22 LEU A 295 3.212 -4.298 0.735 1.00 0.00 H new ATOM 0 HD23 LEU A 295 4.678 -3.537 1.398 1.00 0.00 H new ATOM 484 N LYS A 296 3.775 -2.994 -4.013 1.00 0.00 N ATOM 485 CA LYS A 296 3.213 -2.652 -5.347 1.00 0.00 C ATOM 486 C LYS A 296 2.349 -3.807 -5.853 1.00 0.00 C ATOM 487 O LYS A 296 1.174 -3.648 -6.116 1.00 0.00 O ATOM 488 CB LYS A 296 4.429 -2.452 -6.252 1.00 0.00 C ATOM 489 CG LYS A 296 4.654 -0.957 -6.482 1.00 0.00 C ATOM 490 CD LYS A 296 4.917 -0.702 -7.968 1.00 0.00 C ATOM 491 CE LYS A 296 6.405 -0.414 -8.181 1.00 0.00 C ATOM 492 NZ LYS A 296 6.442 0.735 -9.127 1.00 0.00 N ATOM 0 H LYS A 296 4.758 -2.755 -3.881 1.00 0.00 H new ATOM 0 HA LYS A 296 2.581 -1.764 -5.320 1.00 0.00 H new ATOM 0 HB2 LYS A 296 5.313 -2.897 -5.795 1.00 0.00 H new ATOM 0 HB3 LYS A 296 4.273 -2.958 -7.205 1.00 0.00 H new ATOM 0 HG2 LYS A 296 3.781 -0.393 -6.154 1.00 0.00 H new ATOM 0 HG3 LYS A 296 5.499 -0.610 -5.888 1.00 0.00 H new ATOM 0 HD2 LYS A 296 4.616 -1.569 -8.556 1.00 0.00 H new ATOM 0 HD3 LYS A 296 4.319 0.141 -8.315 1.00 0.00 H new ATOM 0 HE2 LYS A 296 6.898 -0.167 -7.241 1.00 0.00 H new ATOM 0 HE3 LYS A 296 6.920 -1.282 -8.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 296 7.431 0.992 -9.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 296 5.971 0.469 -10.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 296 5.950 1.548 -8.705 1.00 0.00 H new ATOM 506 N ALA A 297 2.921 -4.973 -5.983 1.00 0.00 N ATOM 507 CA ALA A 297 2.129 -6.137 -6.461 1.00 0.00 C ATOM 508 C ALA A 297 0.786 -6.184 -5.728 1.00 0.00 C ATOM 509 O ALA A 297 -0.266 -6.195 -6.336 1.00 0.00 O ATOM 510 CB ALA A 297 2.974 -7.363 -6.116 1.00 0.00 C ATOM 0 H ALA A 297 3.901 -5.168 -5.779 1.00 0.00 H new ATOM 0 HA ALA A 297 1.913 -6.085 -7.528 1.00 0.00 H new ATOM 0 HB1 ALA A 297 2.455 -8.265 -6.439 1.00 0.00 H new ATOM 0 HB2 ALA A 297 3.936 -7.297 -6.624 1.00 0.00 H new ATOM 0 HB3 ALA A 297 3.135 -7.403 -5.039 1.00 0.00 H new ATOM 516 N LYS A 298 0.815 -6.207 -4.422 1.00 0.00 N ATOM 517 CA LYS A 298 -0.454 -6.248 -3.647 1.00 0.00 C ATOM 518 C LYS A 298 -1.456 -5.244 -4.222 1.00 0.00 C ATOM 519 O LYS A 298 -2.447 -5.614 -4.820 1.00 0.00 O ATOM 520 CB LYS A 298 -0.061 -5.859 -2.221 1.00 0.00 C ATOM 521 CG LYS A 298 0.016 -7.116 -1.350 1.00 0.00 C ATOM 522 CD LYS A 298 0.189 -6.714 0.116 1.00 0.00 C ATOM 523 CE LYS A 298 1.432 -7.398 0.690 1.00 0.00 C ATOM 524 NZ LYS A 298 1.674 -6.724 1.996 1.00 0.00 N ATOM 0 H LYS A 298 1.666 -6.199 -3.860 1.00 0.00 H new ATOM 0 HA LYS A 298 -0.930 -7.228 -3.684 1.00 0.00 H new ATOM 0 HB2 LYS A 298 0.901 -5.347 -2.225 1.00 0.00 H new ATOM 0 HB3 LYS A 298 -0.791 -5.162 -1.809 1.00 0.00 H new ATOM 0 HG2 LYS A 298 -0.890 -7.710 -1.470 1.00 0.00 H new ATOM 0 HG3 LYS A 298 0.851 -7.740 -1.668 1.00 0.00 H new ATOM 0 HD2 LYS A 298 0.286 -5.631 0.198 1.00 0.00 H new ATOM 0 HD3 LYS A 298 -0.693 -6.999 0.689 1.00 0.00 H new ATOM 0 HE2 LYS A 298 1.268 -8.468 0.822 1.00 0.00 H new ATOM 0 HE3 LYS A 298 2.287 -7.286 0.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 298 2.512 -7.139 2.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 298 1.833 -5.708 1.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 298 0.846 -6.853 2.612 1.00 0.00 H new ATOM 538 N LEU A 299 -1.206 -3.974 -4.045 1.00 0.00 N ATOM 539 CA LEU A 299 -2.144 -2.949 -4.582 1.00 0.00 C ATOM 540 C LEU A 299 -2.582 -3.326 -5.999 1.00 0.00 C ATOM 541 O LEU A 299 -3.699 -3.069 -6.404 1.00 0.00 O ATOM 542 CB LEU A 299 -1.343 -1.646 -4.597 1.00 0.00 C ATOM 543 CG LEU A 299 -2.300 -0.460 -4.728 1.00 0.00 C ATOM 544 CD1 LEU A 299 -1.864 0.657 -3.779 1.00 0.00 C ATOM 545 CD2 LEU A 299 -2.275 0.057 -6.168 1.00 0.00 C ATOM 0 H LEU A 299 -0.393 -3.604 -3.552 1.00 0.00 H new ATOM 0 HA LEU A 299 -3.049 -2.863 -3.981 1.00 0.00 H new ATOM 0 HB2 LEU A 299 -0.758 -1.556 -3.682 1.00 0.00 H new ATOM 0 HB3 LEU A 299 -0.637 -1.650 -5.427 1.00 0.00 H new ATOM 0 HG LEU A 299 -3.310 -0.779 -4.472 1.00 0.00 H new ATOM 0 HD11 LEU A 299 -2.547 1.502 -3.873 1.00 0.00 H new ATOM 0 HD12 LEU A 299 -1.881 0.290 -2.753 1.00 0.00 H new ATOM 0 HD13 LEU A 299 -0.854 0.977 -4.034 1.00 0.00 H new ATOM 0 HD21 LEU A 299 -2.957 0.902 -6.263 1.00 0.00 H new ATOM 0 HD22 LEU A 299 -1.264 0.376 -6.423 1.00 0.00 H new ATOM 0 HD23 LEU A 299 -2.586 -0.738 -6.845 1.00 0.00 H new ATOM 557 N LYS A 300 -1.711 -3.933 -6.756 1.00 0.00 N ATOM 558 CA LYS A 300 -2.074 -4.326 -8.146 1.00 0.00 C ATOM 559 C LYS A 300 -2.679 -5.733 -8.157 1.00 0.00 C ATOM 560 O LYS A 300 -2.450 -6.509 -9.063 1.00 0.00 O ATOM 561 CB LYS A 300 -0.757 -4.301 -8.921 1.00 0.00 C ATOM 562 CG LYS A 300 -1.045 -4.124 -10.413 1.00 0.00 C ATOM 563 CD LYS A 300 -0.563 -5.359 -11.176 1.00 0.00 C ATOM 564 CE LYS A 300 0.474 -4.942 -12.221 1.00 0.00 C ATOM 565 NZ LYS A 300 1.735 -5.612 -11.797 1.00 0.00 N ATOM 0 H LYS A 300 -0.762 -4.174 -6.471 1.00 0.00 H new ATOM 0 HA LYS A 300 -2.816 -3.659 -8.584 1.00 0.00 H new ATOM 0 HB2 LYS A 300 -0.127 -3.487 -8.562 1.00 0.00 H new ATOM 0 HB3 LYS A 300 -0.207 -5.227 -8.753 1.00 0.00 H new ATOM 0 HG2 LYS A 300 -2.113 -3.979 -10.573 1.00 0.00 H new ATOM 0 HG3 LYS A 300 -0.542 -3.233 -10.788 1.00 0.00 H new ATOM 0 HD2 LYS A 300 -0.128 -6.080 -10.484 1.00 0.00 H new ATOM 0 HD3 LYS A 300 -1.406 -5.852 -11.661 1.00 0.00 H new ATOM 0 HE2 LYS A 300 0.176 -5.257 -13.221 1.00 0.00 H new ATOM 0 HE3 LYS A 300 0.592 -3.859 -12.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 300 2.496 -5.375 -12.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 300 1.997 -5.288 -10.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 300 1.594 -6.642 -11.785 1.00 0.00 H new ATOM 579 N GLY A 301 -3.448 -6.067 -7.157 1.00 0.00 N ATOM 580 CA GLY A 301 -4.064 -7.423 -7.113 1.00 0.00 C ATOM 581 C GLY A 301 -5.051 -7.501 -5.947 1.00 0.00 C ATOM 582 O GLY A 301 -5.045 -8.443 -5.179 1.00 0.00 O ATOM 0 H GLY A 301 -3.676 -5.460 -6.369 1.00 0.00 H new ATOM 0 HA2 GLY A 301 -4.578 -7.631 -8.052 1.00 0.00 H new ATOM 0 HA3 GLY A 301 -3.290 -8.182 -6.999 1.00 0.00 H new ATOM 586 N ILE A 302 -5.900 -6.520 -5.808 1.00 0.00 N ATOM 587 CA ILE A 302 -6.886 -6.542 -4.690 1.00 0.00 C ATOM 588 C ILE A 302 -8.038 -7.495 -5.021 1.00 0.00 C ATOM 589 O ILE A 302 -8.748 -7.954 -4.148 1.00 0.00 O ATOM 590 CB ILE A 302 -7.395 -5.104 -4.581 1.00 0.00 C ATOM 591 CG1 ILE A 302 -6.305 -4.225 -3.962 1.00 0.00 C ATOM 592 CG2 ILE A 302 -8.640 -5.069 -3.694 1.00 0.00 C ATOM 593 CD1 ILE A 302 -6.310 -2.853 -4.640 1.00 0.00 C ATOM 0 H ILE A 302 -5.954 -5.705 -6.419 1.00 0.00 H new ATOM 0 HA ILE A 302 -6.444 -6.889 -3.756 1.00 0.00 H new ATOM 0 HB ILE A 302 -7.646 -4.731 -5.574 1.00 0.00 H new ATOM 0 HG12 ILE A 302 -6.477 -4.114 -2.891 1.00 0.00 H new ATOM 0 HG13 ILE A 302 -5.330 -4.698 -4.081 1.00 0.00 H new ATOM 0 HG21 ILE A 302 -9.003 -4.044 -3.616 1.00 0.00 H new ATOM 0 HG22 ILE A 302 -9.416 -5.696 -4.132 1.00 0.00 H new ATOM 0 HG23 ILE A 302 -8.390 -5.441 -2.701 1.00 0.00 H new ATOM 0 HD11 ILE A 302 -5.534 -2.227 -4.200 1.00 0.00 H new ATOM 0 HD12 ILE A 302 -6.118 -2.973 -5.706 1.00 0.00 H new ATOM 0 HD13 ILE A 302 -7.282 -2.380 -4.498 1.00 0.00 H new ATOM 605 N ARG A 303 -8.227 -7.798 -6.277 1.00 0.00 N ATOM 606 CA ARG A 303 -9.332 -8.722 -6.663 1.00 0.00 C ATOM 607 C ARG A 303 -9.221 -9.089 -8.145 1.00 0.00 C ATOM 608 O ARG A 303 -9.237 -8.183 -8.962 1.00 0.00 O ATOM 609 CB ARG A 303 -10.617 -7.935 -6.399 1.00 0.00 C ATOM 610 CG ARG A 303 -11.825 -8.780 -6.808 1.00 0.00 C ATOM 611 CD ARG A 303 -12.137 -8.544 -8.287 1.00 0.00 C ATOM 612 NE ARG A 303 -13.593 -8.826 -8.423 1.00 0.00 N ATOM 613 CZ ARG A 303 -14.028 -10.058 -8.401 1.00 0.00 C ATOM 614 NH1 ARG A 303 -13.188 -11.049 -8.262 1.00 0.00 N ATOM 615 NH2 ARG A 303 -15.305 -10.299 -8.517 1.00 0.00 N ATOM 616 OXT ARG A 303 -9.124 -10.269 -8.437 1.00 0.00 O ATOM 0 H ARG A 303 -7.665 -7.446 -7.052 1.00 0.00 H new ATOM 0 HA ARG A 303 -9.304 -9.656 -6.102 1.00 0.00 H new ATOM 0 HB2 ARG A 303 -10.685 -7.672 -5.343 1.00 0.00 H new ATOM 0 HB3 ARG A 303 -10.606 -7.001 -6.961 1.00 0.00 H new ATOM 0 HG2 ARG A 303 -11.619 -9.836 -6.633 1.00 0.00 H new ATOM 0 HG3 ARG A 303 -12.689 -8.518 -6.197 1.00 0.00 H new ATOM 0 HD2 ARG A 303 -11.904 -7.521 -8.581 1.00 0.00 H new ATOM 0 HD3 ARG A 303 -11.546 -9.201 -8.925 1.00 0.00 H new ATOM 0 HE ARG A 303 -14.252 -8.056 -8.534 1.00 0.00 H new ATOM 0 HH11 ARG A 303 -12.189 -10.862 -8.170 1.00 0.00 H new ATOM 0 HH12 ARG A 303 -13.531 -12.010 -8.245 1.00 0.00 H new ATOM 0 HH21 ARG A 303 -15.962 -9.526 -8.625 1.00 0.00 H new ATOM 0 HH22 ARG A 303 -15.646 -11.260 -8.500 1.00 0.00 H new TER 630 ARG A 303