USER MOD reduce.3.24.130724 H: found=0, std=0, add=324, rem=0, adj=9 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= -0.0289 USER MOD Single : A 272 ASN : amide:sc= -0.0184 K(o=-0.018,f=-0.76) USER MOD Single : A 273 LYS NZ :NH3+ 148:sc= -0.258 (180deg=-0.78) USER MOD Single : A 278 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 279 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 280 MET CE :methyl 141:sc= -1.8! (180deg=-4.88!) USER MOD Single : A 285 SER OG : rot -94:sc= 0.136 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 296 LYS NZ :NH3+ 156:sc=-0.00616 (180deg=-0.399) USER MOD Single : A 298 LYS NZ :NH3+ -124:sc= 0 (180deg=-0.0634) USER MOD Single : A 300 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 264 -18.571 0.895 2.223 1.00 0.00 N ATOM 2 CA ILE A 264 -19.928 0.908 1.601 1.00 0.00 C ATOM 3 C ILE A 264 -20.110 -0.326 0.703 1.00 0.00 C ATOM 4 O ILE A 264 -20.745 -1.289 1.085 1.00 0.00 O ATOM 5 CB ILE A 264 -19.998 2.215 0.789 1.00 0.00 C ATOM 6 CG1 ILE A 264 -21.042 2.080 -0.324 1.00 0.00 C ATOM 7 CG2 ILE A 264 -18.634 2.535 0.168 1.00 0.00 C ATOM 8 CD1 ILE A 264 -21.521 3.470 -0.747 1.00 0.00 C ATOM 0 HA ILE A 264 -20.725 0.868 2.344 1.00 0.00 H new ATOM 0 HB ILE A 264 -20.281 3.025 1.462 1.00 0.00 H new ATOM 0 HG12 ILE A 264 -20.613 1.556 -1.178 1.00 0.00 H new ATOM 0 HG13 ILE A 264 -21.885 1.484 0.024 1.00 0.00 H new ATOM 0 HG21 ILE A 264 -18.702 3.462 -0.402 1.00 0.00 H new ATOM 0 HG22 ILE A 264 -17.892 2.649 0.958 1.00 0.00 H new ATOM 0 HG23 ILE A 264 -18.336 1.722 -0.495 1.00 0.00 H new ATOM 0 HD11 ILE A 264 -22.264 3.374 -1.539 1.00 0.00 H new ATOM 0 HD12 ILE A 264 -21.967 3.977 0.109 1.00 0.00 H new ATOM 0 HD13 ILE A 264 -20.674 4.051 -1.113 1.00 0.00 H new ATOM 22 N THR A 265 -19.562 -0.309 -0.482 1.00 0.00 N ATOM 23 CA THR A 265 -19.713 -1.484 -1.389 1.00 0.00 C ATOM 24 C THR A 265 -19.133 -2.739 -0.731 1.00 0.00 C ATOM 25 O THR A 265 -19.507 -3.849 -1.054 1.00 0.00 O ATOM 26 CB THR A 265 -18.916 -1.120 -2.642 1.00 0.00 C ATOM 27 OG1 THR A 265 -19.117 -2.116 -3.635 1.00 0.00 O ATOM 28 CG2 THR A 265 -17.428 -1.035 -2.296 1.00 0.00 C ATOM 0 H THR A 265 -19.017 0.466 -0.861 1.00 0.00 H new ATOM 0 HA THR A 265 -20.757 -1.699 -1.616 1.00 0.00 H new ATOM 0 HB THR A 265 -19.254 -0.155 -3.021 1.00 0.00 H new ATOM 0 HG1 THR A 265 -18.608 -1.883 -4.439 1.00 0.00 H new ATOM 0 HG21 THR A 265 -16.861 -0.775 -3.190 1.00 0.00 H new ATOM 0 HG22 THR A 265 -17.275 -0.271 -1.534 1.00 0.00 H new ATOM 0 HG23 THR A 265 -17.087 -1.998 -1.917 1.00 0.00 H new ATOM 36 N GLY A 266 -18.221 -2.573 0.187 1.00 0.00 N ATOM 37 CA GLY A 266 -17.617 -3.756 0.861 1.00 0.00 C ATOM 38 C GLY A 266 -16.134 -3.848 0.498 1.00 0.00 C ATOM 39 O GLY A 266 -15.328 -4.343 1.260 1.00 0.00 O ATOM 0 H GLY A 266 -17.868 -1.668 0.499 1.00 0.00 H new ATOM 0 HA2 GLY A 266 -17.733 -3.671 1.941 1.00 0.00 H new ATOM 0 HA3 GLY A 266 -18.134 -4.665 0.555 1.00 0.00 H new ATOM 43 N ASP A 267 -15.768 -3.374 -0.661 1.00 0.00 N ATOM 44 CA ASP A 267 -14.338 -3.433 -1.074 1.00 0.00 C ATOM 45 C ASP A 267 -13.593 -2.189 -0.582 1.00 0.00 C ATOM 46 O ASP A 267 -12.600 -1.782 -1.152 1.00 0.00 O ATOM 47 CB ASP A 267 -14.371 -3.470 -2.602 1.00 0.00 C ATOM 48 CG ASP A 267 -14.079 -4.891 -3.087 1.00 0.00 C ATOM 49 OD1 ASP A 267 -12.913 -5.226 -3.211 1.00 0.00 O ATOM 50 OD2 ASP A 267 -15.028 -5.621 -3.325 1.00 0.00 O ATOM 0 H ASP A 267 -16.398 -2.948 -1.340 1.00 0.00 H new ATOM 0 HA ASP A 267 -13.821 -4.297 -0.656 1.00 0.00 H new ATOM 0 HB2 ASP A 267 -15.347 -3.145 -2.963 1.00 0.00 H new ATOM 0 HB3 ASP A 267 -13.634 -2.777 -3.009 1.00 0.00 H new ATOM 55 N VAL A 268 -14.064 -1.583 0.474 1.00 0.00 N ATOM 56 CA VAL A 268 -13.392 -0.371 1.006 1.00 0.00 C ATOM 57 C VAL A 268 -11.921 -0.665 1.315 1.00 0.00 C ATOM 58 O VAL A 268 -11.376 -1.673 0.908 1.00 0.00 O ATOM 59 CB VAL A 268 -14.159 -0.048 2.285 1.00 0.00 C ATOM 60 CG1 VAL A 268 -15.529 0.530 1.929 1.00 0.00 C ATOM 61 CG2 VAL A 268 -14.343 -1.324 3.110 1.00 0.00 C ATOM 0 H VAL A 268 -14.891 -1.880 0.992 1.00 0.00 H new ATOM 0 HA VAL A 268 -13.397 0.457 0.297 1.00 0.00 H new ATOM 0 HB VAL A 268 -13.597 0.682 2.867 1.00 0.00 H new ATOM 0 HG11 VAL A 268 -16.076 0.760 2.844 1.00 0.00 H new ATOM 0 HG12 VAL A 268 -15.399 1.441 1.345 1.00 0.00 H new ATOM 0 HG13 VAL A 268 -16.091 -0.199 1.344 1.00 0.00 H new ATOM 0 HG21 VAL A 268 -14.891 -1.091 4.023 1.00 0.00 H new ATOM 0 HG22 VAL A 268 -14.902 -2.056 2.528 1.00 0.00 H new ATOM 0 HG23 VAL A 268 -13.367 -1.735 3.368 1.00 0.00 H new ATOM 71 N SER A 269 -11.276 0.213 2.031 1.00 0.00 N ATOM 72 CA SER A 269 -9.842 -0.008 2.369 1.00 0.00 C ATOM 73 C SER A 269 -9.619 -1.466 2.777 1.00 0.00 C ATOM 74 O SER A 269 -8.572 -2.033 2.539 1.00 0.00 O ATOM 75 CB SER A 269 -9.561 0.926 3.545 1.00 0.00 C ATOM 76 OG SER A 269 -10.274 0.472 4.687 1.00 0.00 O ATOM 0 H SER A 269 -11.680 1.075 2.397 1.00 0.00 H new ATOM 0 HA SER A 269 -9.182 0.193 1.525 1.00 0.00 H new ATOM 0 HB2 SER A 269 -8.492 0.952 3.756 1.00 0.00 H new ATOM 0 HB3 SER A 269 -9.861 1.944 3.296 1.00 0.00 H new ATOM 0 HG SER A 269 -10.094 1.069 5.443 1.00 0.00 H new ATOM 82 N ALA A 270 -10.597 -2.076 3.387 1.00 0.00 N ATOM 83 CA ALA A 270 -10.441 -3.496 3.807 1.00 0.00 C ATOM 84 C ALA A 270 -9.765 -4.301 2.695 1.00 0.00 C ATOM 85 O ALA A 270 -8.713 -4.879 2.883 1.00 0.00 O ATOM 86 CB ALA A 270 -11.867 -3.998 4.039 1.00 0.00 C ATOM 0 H ALA A 270 -11.497 -1.652 3.613 1.00 0.00 H new ATOM 0 HA ALA A 270 -9.822 -3.599 4.698 1.00 0.00 H new ATOM 0 HB1 ALA A 270 -11.839 -5.042 4.353 1.00 0.00 H new ATOM 0 HB2 ALA A 270 -12.342 -3.398 4.816 1.00 0.00 H new ATOM 0 HB3 ALA A 270 -12.438 -3.912 3.114 1.00 0.00 H new ATOM 92 N ALA A 271 -10.365 -4.345 1.537 1.00 0.00 N ATOM 93 CA ALA A 271 -9.768 -5.111 0.414 1.00 0.00 C ATOM 94 C ALA A 271 -8.548 -4.376 -0.149 1.00 0.00 C ATOM 95 O ALA A 271 -7.536 -4.976 -0.457 1.00 0.00 O ATOM 96 CB ALA A 271 -10.875 -5.195 -0.638 1.00 0.00 C ATOM 0 H ALA A 271 -11.247 -3.880 1.322 1.00 0.00 H new ATOM 0 HA ALA A 271 -9.423 -6.096 0.727 1.00 0.00 H new ATOM 0 HB1 ALA A 271 -10.513 -5.749 -1.504 1.00 0.00 H new ATOM 0 HB2 ALA A 271 -11.740 -5.707 -0.216 1.00 0.00 H new ATOM 0 HB3 ALA A 271 -11.163 -4.189 -0.945 1.00 0.00 H new ATOM 102 N ASN A 272 -8.638 -3.081 -0.294 1.00 0.00 N ATOM 103 CA ASN A 272 -7.486 -2.310 -0.846 1.00 0.00 C ATOM 104 C ASN A 272 -6.275 -2.402 0.089 1.00 0.00 C ATOM 105 O ASN A 272 -5.176 -2.701 -0.334 1.00 0.00 O ATOM 106 CB ASN A 272 -7.985 -0.868 -0.936 1.00 0.00 C ATOM 107 CG ASN A 272 -8.827 -0.697 -2.201 1.00 0.00 C ATOM 108 OD1 ASN A 272 -8.467 -1.181 -3.255 1.00 0.00 O ATOM 109 ND2 ASN A 272 -9.944 -0.024 -2.140 1.00 0.00 N ATOM 0 H ASN A 272 -9.458 -2.524 -0.054 1.00 0.00 H new ATOM 0 HA ASN A 272 -7.162 -2.695 -1.813 1.00 0.00 H new ATOM 0 HB2 ASN A 272 -8.578 -0.622 -0.055 1.00 0.00 H new ATOM 0 HB3 ASN A 272 -7.140 -0.180 -0.953 1.00 0.00 H new ATOM 0 HD21 ASN A 272 -10.514 0.095 -2.977 1.00 0.00 H new ATOM 0 HD22 ASN A 272 -10.247 0.383 -1.255 1.00 0.00 H new ATOM 116 N LYS A 273 -6.466 -2.141 1.353 1.00 0.00 N ATOM 117 CA LYS A 273 -5.328 -2.208 2.310 1.00 0.00 C ATOM 118 C LYS A 273 -4.466 -3.439 2.024 1.00 0.00 C ATOM 119 O LYS A 273 -3.368 -3.338 1.514 1.00 0.00 O ATOM 120 CB LYS A 273 -5.977 -2.317 3.690 1.00 0.00 C ATOM 121 CG LYS A 273 -6.549 -0.957 4.094 1.00 0.00 C ATOM 122 CD LYS A 273 -5.483 -0.160 4.848 1.00 0.00 C ATOM 123 CE LYS A 273 -5.135 1.103 4.057 1.00 0.00 C ATOM 124 NZ LYS A 273 -3.730 0.901 3.608 1.00 0.00 N ATOM 0 H LYS A 273 -7.363 -1.884 1.764 1.00 0.00 H new ATOM 0 HA LYS A 273 -4.674 -1.339 2.234 1.00 0.00 H new ATOM 0 HB2 LYS A 273 -6.769 -3.066 3.673 1.00 0.00 H new ATOM 0 HB3 LYS A 273 -5.242 -2.647 4.424 1.00 0.00 H new ATOM 0 HG2 LYS A 273 -6.871 -0.408 3.209 1.00 0.00 H new ATOM 0 HG3 LYS A 273 -7.429 -1.093 4.722 1.00 0.00 H new ATOM 0 HD2 LYS A 273 -5.848 0.108 5.840 1.00 0.00 H new ATOM 0 HD3 LYS A 273 -4.591 -0.770 4.991 1.00 0.00 H new ATOM 0 HE2 LYS A 273 -5.806 1.234 3.208 1.00 0.00 H new ATOM 0 HE3 LYS A 273 -5.227 1.995 4.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 273 -3.588 1.369 2.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 273 -3.079 1.309 4.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 273 -3.540 -0.117 3.511 1.00 0.00 H new ATOM 138 N ASP A 274 -4.957 -4.602 2.352 1.00 0.00 N ATOM 139 CA ASP A 274 -4.169 -5.840 2.103 1.00 0.00 C ATOM 140 C ASP A 274 -3.545 -5.800 0.706 1.00 0.00 C ATOM 141 O ASP A 274 -2.346 -5.916 0.546 1.00 0.00 O ATOM 142 CB ASP A 274 -5.182 -6.981 2.207 1.00 0.00 C ATOM 143 CG ASP A 274 -4.440 -8.318 2.275 1.00 0.00 C ATOM 144 OD1 ASP A 274 -3.984 -8.772 1.239 1.00 0.00 O ATOM 145 OD2 ASP A 274 -4.342 -8.863 3.361 1.00 0.00 O ATOM 0 H ASP A 274 -5.870 -4.748 2.782 1.00 0.00 H new ATOM 0 HA ASP A 274 -3.349 -5.957 2.812 1.00 0.00 H new ATOM 0 HB2 ASP A 274 -5.802 -6.851 3.094 1.00 0.00 H new ATOM 0 HB3 ASP A 274 -5.851 -6.967 1.346 1.00 0.00 H new ATOM 150 N ALA A 275 -4.351 -5.638 -0.308 1.00 0.00 N ATOM 151 CA ALA A 275 -3.808 -5.592 -1.694 1.00 0.00 C ATOM 152 C ALA A 275 -2.533 -4.744 -1.741 1.00 0.00 C ATOM 153 O ALA A 275 -1.433 -5.254 -1.664 1.00 0.00 O ATOM 154 CB ALA A 275 -4.912 -4.945 -2.530 1.00 0.00 C ATOM 0 H ALA A 275 -5.363 -5.535 -0.235 1.00 0.00 H new ATOM 0 HA ALA A 275 -3.541 -6.582 -2.064 1.00 0.00 H new ATOM 0 HB1 ALA A 275 -4.588 -4.875 -3.568 1.00 0.00 H new ATOM 0 HB2 ALA A 275 -5.815 -5.552 -2.472 1.00 0.00 H new ATOM 0 HB3 ALA A 275 -5.121 -3.946 -2.147 1.00 0.00 H new ATOM 160 N ILE A 276 -2.675 -3.453 -1.874 1.00 0.00 N ATOM 161 CA ILE A 276 -1.477 -2.567 -1.932 1.00 0.00 C ATOM 162 C ILE A 276 -0.426 -3.015 -0.912 1.00 0.00 C ATOM 163 O ILE A 276 0.729 -3.203 -1.240 1.00 0.00 O ATOM 164 CB ILE A 276 -2.000 -1.174 -1.584 1.00 0.00 C ATOM 165 CG1 ILE A 276 -3.048 -0.751 -2.616 1.00 0.00 C ATOM 166 CG2 ILE A 276 -0.842 -0.175 -1.596 1.00 0.00 C ATOM 167 CD1 ILE A 276 -4.344 -0.366 -1.900 1.00 0.00 C ATOM 0 H ILE A 276 -3.572 -2.972 -1.945 1.00 0.00 H new ATOM 0 HA ILE A 276 -0.995 -2.593 -2.910 1.00 0.00 H new ATOM 0 HB ILE A 276 -2.452 -1.194 -0.592 1.00 0.00 H new ATOM 0 HG12 ILE A 276 -2.679 0.092 -3.200 1.00 0.00 H new ATOM 0 HG13 ILE A 276 -3.235 -1.566 -3.315 1.00 0.00 H new ATOM 0 HG21 ILE A 276 -1.216 0.818 -1.348 1.00 0.00 H new ATOM 0 HG22 ILE A 276 -0.095 -0.475 -0.862 1.00 0.00 H new ATOM 0 HG23 ILE A 276 -0.389 -0.155 -2.587 1.00 0.00 H new ATOM 0 HD11 ILE A 276 -5.090 -0.065 -2.635 1.00 0.00 H new ATOM 0 HD12 ILE A 276 -4.716 -1.221 -1.335 1.00 0.00 H new ATOM 0 HD13 ILE A 276 -4.151 0.463 -1.219 1.00 0.00 H new ATOM 179 N ARG A 277 -0.817 -3.182 0.322 1.00 0.00 N ATOM 180 CA ARG A 277 0.160 -3.614 1.364 1.00 0.00 C ATOM 181 C ARG A 277 1.085 -4.701 0.808 1.00 0.00 C ATOM 182 O ARG A 277 2.293 -4.590 0.866 1.00 0.00 O ATOM 183 CB ARG A 277 -0.696 -4.170 2.503 1.00 0.00 C ATOM 184 CG ARG A 277 -1.015 -3.051 3.496 1.00 0.00 C ATOM 185 CD ARG A 277 -2.027 -3.555 4.527 1.00 0.00 C ATOM 186 NE ARG A 277 -1.958 -2.575 5.646 1.00 0.00 N ATOM 187 CZ ARG A 277 -0.919 -2.554 6.438 1.00 0.00 C ATOM 188 NH1 ARG A 277 0.066 -3.391 6.252 1.00 0.00 N ATOM 189 NH2 ARG A 277 -0.865 -1.693 7.418 1.00 0.00 N ATOM 0 H ARG A 277 -1.770 -3.038 0.655 1.00 0.00 H new ATOM 0 HA ARG A 277 0.798 -2.795 1.695 1.00 0.00 H new ATOM 0 HB2 ARG A 277 -1.619 -4.592 2.106 1.00 0.00 H new ATOM 0 HB3 ARG A 277 -0.167 -4.979 3.008 1.00 0.00 H new ATOM 0 HG2 ARG A 277 -0.103 -2.723 3.996 1.00 0.00 H new ATOM 0 HG3 ARG A 277 -1.418 -2.186 2.968 1.00 0.00 H new ATOM 0 HD2 ARG A 277 -3.031 -3.602 4.105 1.00 0.00 H new ATOM 0 HD3 ARG A 277 -1.777 -4.560 4.867 1.00 0.00 H new ATOM 0 HE ARG A 277 -2.724 -1.918 5.795 1.00 0.00 H new ATOM 0 HH11 ARG A 277 0.026 -4.064 5.487 1.00 0.00 H new ATOM 0 HH12 ARG A 277 0.876 -3.372 6.872 1.00 0.00 H new ATOM 0 HH21 ARG A 277 -1.633 -1.038 7.564 1.00 0.00 H new ATOM 0 HH22 ARG A 277 -0.055 -1.675 8.037 1.00 0.00 H new ATOM 203 N LYS A 278 0.526 -5.751 0.272 1.00 0.00 N ATOM 204 CA LYS A 278 1.370 -6.843 -0.285 1.00 0.00 C ATOM 205 C LYS A 278 2.480 -6.262 -1.166 1.00 0.00 C ATOM 206 O LYS A 278 3.633 -6.225 -0.785 1.00 0.00 O ATOM 207 CB LYS A 278 0.414 -7.695 -1.120 1.00 0.00 C ATOM 208 CG LYS A 278 1.181 -8.865 -1.740 1.00 0.00 C ATOM 209 CD LYS A 278 0.611 -10.184 -1.215 1.00 0.00 C ATOM 210 CE LYS A 278 -0.488 -10.677 -2.158 1.00 0.00 C ATOM 211 NZ LYS A 278 0.130 -11.800 -2.916 1.00 0.00 N ATOM 0 H LYS A 278 -0.480 -5.899 0.196 1.00 0.00 H new ATOM 0 HA LYS A 278 1.859 -7.424 0.497 1.00 0.00 H new ATOM 0 HB2 LYS A 278 -0.397 -8.069 -0.495 1.00 0.00 H new ATOM 0 HB3 LYS A 278 -0.041 -7.089 -1.903 1.00 0.00 H new ATOM 0 HG2 LYS A 278 1.103 -8.830 -2.827 1.00 0.00 H new ATOM 0 HG3 LYS A 278 2.240 -8.791 -1.494 1.00 0.00 H new ATOM 0 HD2 LYS A 278 1.402 -10.930 -1.140 1.00 0.00 H new ATOM 0 HD3 LYS A 278 0.208 -10.045 -0.212 1.00 0.00 H new ATOM 0 HE2 LYS A 278 -1.364 -11.011 -1.602 1.00 0.00 H new ATOM 0 HE3 LYS A 278 -0.819 -9.883 -2.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 278 -0.564 -12.191 -3.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 278 0.958 -11.451 -3.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 278 0.429 -12.544 -2.253 1.00 0.00 H new ATOM 225 N GLN A 279 2.139 -5.813 -2.343 1.00 0.00 N ATOM 226 CA GLN A 279 3.171 -5.240 -3.251 1.00 0.00 C ATOM 227 C GLN A 279 4.113 -4.315 -2.475 1.00 0.00 C ATOM 228 O GLN A 279 5.319 -4.399 -2.597 1.00 0.00 O ATOM 229 CB GLN A 279 2.384 -4.450 -4.297 1.00 0.00 C ATOM 230 CG GLN A 279 2.432 -5.188 -5.637 1.00 0.00 C ATOM 231 CD GLN A 279 1.375 -4.609 -6.579 1.00 0.00 C ATOM 232 OE1 GLN A 279 0.266 -5.100 -6.641 1.00 0.00 O ATOM 233 NE2 GLN A 279 1.674 -3.577 -7.320 1.00 0.00 N ATOM 0 H GLN A 279 1.189 -5.819 -2.715 1.00 0.00 H new ATOM 0 HA GLN A 279 3.793 -6.012 -3.704 1.00 0.00 H new ATOM 0 HB2 GLN A 279 1.350 -4.328 -3.974 1.00 0.00 H new ATOM 0 HB3 GLN A 279 2.804 -3.450 -4.405 1.00 0.00 H new ATOM 0 HG2 GLN A 279 3.422 -5.091 -6.082 1.00 0.00 H new ATOM 0 HG3 GLN A 279 2.254 -6.252 -5.484 1.00 0.00 H new ATOM 0 HE21 GLN A 279 2.605 -3.165 -7.268 1.00 0.00 H new ATOM 0 HE22 GLN A 279 0.976 -3.183 -7.951 1.00 0.00 H new ATOM 242 N MET A 280 3.573 -3.433 -1.680 1.00 0.00 N ATOM 243 CA MET A 280 4.440 -2.503 -0.901 1.00 0.00 C ATOM 244 C MET A 280 5.327 -3.291 0.066 1.00 0.00 C ATOM 245 O MET A 280 6.539 -3.227 0.002 1.00 0.00 O ATOM 246 CB MET A 280 3.470 -1.607 -0.130 1.00 0.00 C ATOM 247 CG MET A 280 2.954 -0.501 -1.053 1.00 0.00 C ATOM 248 SD MET A 280 1.724 0.493 -0.172 1.00 0.00 S ATOM 249 CE MET A 280 2.868 1.311 0.968 1.00 0.00 C ATOM 0 H MET A 280 2.570 -3.316 -1.536 1.00 0.00 H new ATOM 0 HA MET A 280 5.105 -1.925 -1.543 1.00 0.00 H new ATOM 0 HB2 MET A 280 2.636 -2.197 0.249 1.00 0.00 H new ATOM 0 HB3 MET A 280 3.970 -1.170 0.734 1.00 0.00 H new ATOM 0 HG2 MET A 280 3.781 0.130 -1.380 1.00 0.00 H new ATOM 0 HG3 MET A 280 2.512 -0.937 -1.949 1.00 0.00 H new ATOM 0 HE1 MET A 280 2.569 2.351 1.099 1.00 0.00 H new ATOM 0 HE2 MET A 280 2.846 0.803 1.932 1.00 0.00 H new ATOM 0 HE3 MET A 280 3.878 1.272 0.560 1.00 0.00 H new ATOM 259 N ASP A 281 4.734 -4.034 0.960 1.00 0.00 N ATOM 260 CA ASP A 281 5.546 -4.826 1.929 1.00 0.00 C ATOM 261 C ASP A 281 6.725 -5.484 1.208 1.00 0.00 C ATOM 262 O ASP A 281 7.862 -5.369 1.623 1.00 0.00 O ATOM 263 CB ASP A 281 4.589 -5.888 2.471 1.00 0.00 C ATOM 264 CG ASP A 281 4.900 -6.151 3.946 1.00 0.00 C ATOM 265 OD1 ASP A 281 5.022 -5.189 4.686 1.00 0.00 O ATOM 266 OD2 ASP A 281 5.011 -7.310 4.309 1.00 0.00 O ATOM 0 H ASP A 281 3.723 -4.127 1.062 1.00 0.00 H new ATOM 0 HA ASP A 281 5.962 -4.209 2.725 1.00 0.00 H new ATOM 0 HB2 ASP A 281 3.557 -5.554 2.360 1.00 0.00 H new ATOM 0 HB3 ASP A 281 4.689 -6.809 1.897 1.00 0.00 H new ATOM 271 N ALA A 282 6.461 -6.173 0.133 1.00 0.00 N ATOM 272 CA ALA A 282 7.560 -6.839 -0.615 1.00 0.00 C ATOM 273 C ALA A 282 8.649 -5.826 -0.979 1.00 0.00 C ATOM 274 O ALA A 282 9.722 -5.824 -0.410 1.00 0.00 O ATOM 275 CB ALA A 282 6.899 -7.394 -1.878 1.00 0.00 C ATOM 0 H ALA A 282 5.529 -6.303 -0.260 1.00 0.00 H new ATOM 0 HA ALA A 282 8.042 -7.621 -0.028 1.00 0.00 H new ATOM 0 HB1 ALA A 282 7.647 -7.903 -2.487 1.00 0.00 H new ATOM 0 HB2 ALA A 282 6.117 -8.100 -1.599 1.00 0.00 H new ATOM 0 HB3 ALA A 282 6.462 -6.575 -2.450 1.00 0.00 H new ATOM 281 N ALA A 283 8.384 -4.967 -1.926 1.00 0.00 N ATOM 282 CA ALA A 283 9.408 -3.958 -2.326 1.00 0.00 C ATOM 283 C ALA A 283 9.895 -3.178 -1.103 1.00 0.00 C ATOM 284 O ALA A 283 10.945 -2.567 -1.123 1.00 0.00 O ATOM 285 CB ALA A 283 8.688 -3.029 -3.303 1.00 0.00 C ATOM 0 H ALA A 283 7.504 -4.920 -2.440 1.00 0.00 H new ATOM 0 HA ALA A 283 10.287 -4.421 -2.775 1.00 0.00 H new ATOM 0 HB1 ALA A 283 9.376 -2.256 -3.645 1.00 0.00 H new ATOM 0 HB2 ALA A 283 8.335 -3.604 -4.159 1.00 0.00 H new ATOM 0 HB3 ALA A 283 7.839 -2.563 -2.803 1.00 0.00 H new ATOM 291 N ALA A 284 9.140 -3.191 -0.040 1.00 0.00 N ATOM 292 CA ALA A 284 9.561 -2.446 1.181 1.00 0.00 C ATOM 293 C ALA A 284 10.785 -3.110 1.819 1.00 0.00 C ATOM 294 O ALA A 284 11.907 -2.687 1.621 1.00 0.00 O ATOM 295 CB ALA A 284 8.359 -2.521 2.123 1.00 0.00 C ATOM 0 H ALA A 284 8.251 -3.684 0.037 1.00 0.00 H new ATOM 0 HA ALA A 284 9.843 -1.417 0.957 1.00 0.00 H new ATOM 0 HB1 ALA A 284 8.589 -1.994 3.049 1.00 0.00 H new ATOM 0 HB2 ALA A 284 7.494 -2.058 1.647 1.00 0.00 H new ATOM 0 HB3 ALA A 284 8.135 -3.564 2.345 1.00 0.00 H new ATOM 301 N SER A 285 10.577 -4.144 2.588 1.00 0.00 N ATOM 302 CA SER A 285 11.724 -4.830 3.246 1.00 0.00 C ATOM 303 C SER A 285 12.343 -5.870 2.307 1.00 0.00 C ATOM 304 O SER A 285 12.659 -6.971 2.710 1.00 0.00 O ATOM 305 CB SER A 285 11.124 -5.511 4.475 1.00 0.00 C ATOM 306 OG SER A 285 9.761 -5.823 4.220 1.00 0.00 O ATOM 0 H SER A 285 9.660 -4.544 2.789 1.00 0.00 H new ATOM 0 HA SER A 285 12.520 -4.133 3.509 1.00 0.00 H new ATOM 0 HB2 SER A 285 11.679 -6.419 4.709 1.00 0.00 H new ATOM 0 HB3 SER A 285 11.203 -4.856 5.343 1.00 0.00 H new ATOM 0 HG SER A 285 9.192 -5.099 4.555 1.00 0.00 H new ATOM 312 N LYS A 286 12.523 -5.532 1.060 1.00 0.00 N ATOM 313 CA LYS A 286 13.126 -6.504 0.107 1.00 0.00 C ATOM 314 C LYS A 286 14.379 -5.906 -0.534 1.00 0.00 C ATOM 315 O LYS A 286 15.077 -6.560 -1.284 1.00 0.00 O ATOM 316 CB LYS A 286 12.049 -6.752 -0.949 1.00 0.00 C ATOM 317 CG LYS A 286 12.656 -7.522 -2.123 1.00 0.00 C ATOM 318 CD LYS A 286 13.275 -8.826 -1.615 1.00 0.00 C ATOM 319 CE LYS A 286 12.632 -10.012 -2.337 1.00 0.00 C ATOM 320 NZ LYS A 286 13.772 -10.885 -2.731 1.00 0.00 N ATOM 0 H LYS A 286 12.279 -4.626 0.661 1.00 0.00 H new ATOM 0 HA LYS A 286 13.430 -7.428 0.599 1.00 0.00 H new ATOM 0 HB2 LYS A 286 11.224 -7.318 -0.517 1.00 0.00 H new ATOM 0 HB3 LYS A 286 11.638 -5.804 -1.295 1.00 0.00 H new ATOM 0 HG2 LYS A 286 11.888 -7.737 -2.866 1.00 0.00 H new ATOM 0 HG3 LYS A 286 13.415 -6.915 -2.616 1.00 0.00 H new ATOM 0 HD2 LYS A 286 14.351 -8.822 -1.788 1.00 0.00 H new ATOM 0 HD3 LYS A 286 13.125 -8.917 -0.539 1.00 0.00 H new ATOM 0 HE2 LYS A 286 11.936 -10.541 -1.686 1.00 0.00 H new ATOM 0 HE3 LYS A 286 12.066 -9.684 -3.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 286 13.411 -11.722 -3.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 286 14.414 -10.357 -3.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 286 14.288 -11.187 -1.880 1.00 0.00 H new ATOM 334 N GLY A 287 14.669 -4.668 -0.247 1.00 0.00 N ATOM 335 CA GLY A 287 15.877 -4.028 -0.842 1.00 0.00 C ATOM 336 C GLY A 287 15.445 -2.910 -1.790 1.00 0.00 C ATOM 337 O GLY A 287 15.951 -1.807 -1.736 1.00 0.00 O ATOM 0 H GLY A 287 14.122 -4.071 0.374 1.00 0.00 H new ATOM 0 HA2 GLY A 287 16.514 -3.626 -0.054 1.00 0.00 H new ATOM 0 HA3 GLY A 287 16.466 -4.769 -1.381 1.00 0.00 H new ATOM 341 N ASP A 288 14.508 -3.183 -2.656 1.00 0.00 N ATOM 342 CA ASP A 288 14.041 -2.133 -3.603 1.00 0.00 C ATOM 343 C ASP A 288 13.063 -1.193 -2.896 1.00 0.00 C ATOM 344 O ASP A 288 11.950 -0.989 -3.339 1.00 0.00 O ATOM 345 CB ASP A 288 13.339 -2.895 -4.727 1.00 0.00 C ATOM 346 CG ASP A 288 13.615 -2.205 -6.063 1.00 0.00 C ATOM 347 OD1 ASP A 288 12.962 -1.212 -6.341 1.00 0.00 O ATOM 348 OD2 ASP A 288 14.476 -2.680 -6.786 1.00 0.00 O ATOM 0 H ASP A 288 14.046 -4.088 -2.748 1.00 0.00 H new ATOM 0 HA ASP A 288 14.859 -1.519 -3.981 1.00 0.00 H new ATOM 0 HB2 ASP A 288 13.693 -3.925 -4.758 1.00 0.00 H new ATOM 0 HB3 ASP A 288 12.266 -2.932 -4.540 1.00 0.00 H new ATOM 353 N VAL A 289 13.471 -0.623 -1.796 1.00 0.00 N ATOM 354 CA VAL A 289 12.567 0.301 -1.054 1.00 0.00 C ATOM 355 C VAL A 289 12.169 1.483 -1.941 1.00 0.00 C ATOM 356 O VAL A 289 11.242 2.209 -1.641 1.00 0.00 O ATOM 357 CB VAL A 289 13.386 0.778 0.146 1.00 0.00 C ATOM 358 CG1 VAL A 289 12.467 1.486 1.143 1.00 0.00 C ATOM 359 CG2 VAL A 289 14.041 -0.427 0.826 1.00 0.00 C ATOM 0 H VAL A 289 14.392 -0.757 -1.378 1.00 0.00 H new ATOM 0 HA VAL A 289 11.642 -0.186 -0.747 1.00 0.00 H new ATOM 0 HB VAL A 289 14.157 1.470 -0.193 1.00 0.00 H new ATOM 0 HG11 VAL A 289 13.051 1.826 1.998 1.00 0.00 H new ATOM 0 HG12 VAL A 289 11.998 2.343 0.660 1.00 0.00 H new ATOM 0 HG13 VAL A 289 11.696 0.794 1.482 1.00 0.00 H new ATOM 0 HG21 VAL A 289 14.625 -0.089 1.682 1.00 0.00 H new ATOM 0 HG22 VAL A 289 13.269 -1.118 1.164 1.00 0.00 H new ATOM 0 HG23 VAL A 289 14.696 -0.933 0.117 1.00 0.00 H new ATOM 369 N GLU A 290 12.859 1.683 -3.031 1.00 0.00 N ATOM 370 CA GLU A 290 12.512 2.817 -3.930 1.00 0.00 C ATOM 371 C GLU A 290 10.995 2.894 -4.112 1.00 0.00 C ATOM 372 O GLU A 290 10.341 3.778 -3.595 1.00 0.00 O ATOM 373 CB GLU A 290 13.201 2.495 -5.256 1.00 0.00 C ATOM 374 CG GLU A 290 13.208 3.741 -6.145 1.00 0.00 C ATOM 375 CD GLU A 290 14.578 4.418 -6.066 1.00 0.00 C ATOM 376 OE1 GLU A 290 15.569 3.729 -6.245 1.00 0.00 O ATOM 377 OE2 GLU A 290 14.613 5.614 -5.827 1.00 0.00 O ATOM 0 H GLU A 290 13.646 1.111 -3.336 1.00 0.00 H new ATOM 0 HA GLU A 290 12.833 3.779 -3.531 1.00 0.00 H new ATOM 0 HB2 GLU A 290 14.222 2.159 -5.075 1.00 0.00 H new ATOM 0 HB3 GLU A 290 12.681 1.679 -5.759 1.00 0.00 H new ATOM 0 HG2 GLU A 290 12.986 3.466 -7.176 1.00 0.00 H new ATOM 0 HG3 GLU A 290 12.430 4.433 -5.825 1.00 0.00 H new ATOM 384 N THR A 291 10.431 1.970 -4.839 1.00 0.00 N ATOM 385 CA THR A 291 8.959 1.984 -5.050 1.00 0.00 C ATOM 386 C THR A 291 8.241 2.148 -3.708 1.00 0.00 C ATOM 387 O THR A 291 7.324 2.935 -3.573 1.00 0.00 O ATOM 388 CB THR A 291 8.634 0.624 -5.673 1.00 0.00 C ATOM 389 OG1 THR A 291 9.019 0.628 -7.040 1.00 0.00 O ATOM 390 CG2 THR A 291 7.132 0.355 -5.564 1.00 0.00 C ATOM 0 H THR A 291 10.928 1.205 -5.296 1.00 0.00 H new ATOM 0 HA THR A 291 8.638 2.808 -5.687 1.00 0.00 H new ATOM 0 HB THR A 291 9.179 -0.158 -5.144 1.00 0.00 H new ATOM 0 HG1 THR A 291 8.813 -0.243 -7.440 1.00 0.00 H new ATOM 0 HG21 THR A 291 6.903 -0.614 -6.008 1.00 0.00 H new ATOM 0 HG22 THR A 291 6.838 0.352 -4.514 1.00 0.00 H new ATOM 0 HG23 THR A 291 6.583 1.135 -6.092 1.00 0.00 H new ATOM 398 N TYR A 292 8.655 1.410 -2.714 1.00 0.00 N ATOM 399 CA TYR A 292 8.004 1.521 -1.379 1.00 0.00 C ATOM 400 C TYR A 292 7.964 2.985 -0.938 1.00 0.00 C ATOM 401 O TYR A 292 6.948 3.481 -0.492 1.00 0.00 O ATOM 402 CB TYR A 292 8.887 0.700 -0.438 1.00 0.00 C ATOM 403 CG TYR A 292 8.190 0.528 0.890 1.00 0.00 C ATOM 404 CD1 TYR A 292 6.821 0.241 0.931 1.00 0.00 C ATOM 405 CD2 TYR A 292 8.915 0.655 2.081 1.00 0.00 C ATOM 406 CE1 TYR A 292 6.176 0.081 2.164 1.00 0.00 C ATOM 407 CE2 TYR A 292 8.270 0.495 3.314 1.00 0.00 C ATOM 408 CZ TYR A 292 6.900 0.208 3.355 1.00 0.00 C ATOM 409 OH TYR A 292 6.265 0.050 4.570 1.00 0.00 O ATOM 0 H TYR A 292 9.417 0.734 -2.770 1.00 0.00 H new ATOM 0 HA TYR A 292 6.975 1.161 -1.387 1.00 0.00 H new ATOM 0 HB2 TYR A 292 9.097 -0.275 -0.878 1.00 0.00 H new ATOM 0 HB3 TYR A 292 9.846 1.199 -0.295 1.00 0.00 H new ATOM 0 HD1 TYR A 292 6.262 0.143 0.012 1.00 0.00 H new ATOM 0 HD2 TYR A 292 9.972 0.876 2.049 1.00 0.00 H new ATOM 0 HE1 TYR A 292 5.119 -0.140 2.196 1.00 0.00 H new ATOM 0 HE2 TYR A 292 8.829 0.593 4.233 1.00 0.00 H new ATOM 0 HH TYR A 292 6.913 0.169 5.296 1.00 0.00 H new ATOM 419 N ARG A 293 9.062 3.681 -1.063 1.00 0.00 N ATOM 420 CA ARG A 293 9.088 5.113 -0.656 1.00 0.00 C ATOM 421 C ARG A 293 7.809 5.811 -1.124 1.00 0.00 C ATOM 422 O ARG A 293 6.966 6.181 -0.331 1.00 0.00 O ATOM 423 CB ARG A 293 10.311 5.704 -1.358 1.00 0.00 C ATOM 424 CG ARG A 293 11.067 6.614 -0.387 1.00 0.00 C ATOM 425 CD ARG A 293 12.299 5.880 0.147 1.00 0.00 C ATOM 426 NE ARG A 293 13.059 6.911 0.908 1.00 0.00 N ATOM 427 CZ ARG A 293 14.233 6.627 1.405 1.00 0.00 C ATOM 428 NH1 ARG A 293 14.747 5.438 1.238 1.00 0.00 N ATOM 429 NH2 ARG A 293 14.895 7.534 2.070 1.00 0.00 N ATOM 0 H ARG A 293 9.942 3.318 -1.430 1.00 0.00 H new ATOM 0 HA ARG A 293 9.144 5.237 0.425 1.00 0.00 H new ATOM 0 HB2 ARG A 293 10.964 4.905 -1.708 1.00 0.00 H new ATOM 0 HB3 ARG A 293 10.001 6.270 -2.237 1.00 0.00 H new ATOM 0 HG2 ARG A 293 11.368 7.532 -0.892 1.00 0.00 H new ATOM 0 HG3 ARG A 293 10.417 6.903 0.439 1.00 0.00 H new ATOM 0 HD2 ARG A 293 12.015 5.045 0.788 1.00 0.00 H new ATOM 0 HD3 ARG A 293 12.897 5.468 -0.666 1.00 0.00 H new ATOM 0 HE ARG A 293 12.662 7.841 1.041 1.00 0.00 H new ATOM 0 HH11 ARG A 293 14.231 4.728 0.718 1.00 0.00 H new ATOM 0 HH12 ARG A 293 15.664 5.220 1.627 1.00 0.00 H new ATOM 0 HH21 ARG A 293 14.495 8.463 2.201 1.00 0.00 H new ATOM 0 HH22 ARG A 293 15.812 7.314 2.459 1.00 0.00 H new ATOM 443 N LYS A 294 7.655 5.988 -2.408 1.00 0.00 N ATOM 444 CA LYS A 294 6.429 6.653 -2.924 1.00 0.00 C ATOM 445 C LYS A 294 5.196 6.082 -2.222 1.00 0.00 C ATOM 446 O LYS A 294 4.484 6.780 -1.525 1.00 0.00 O ATOM 447 CB LYS A 294 6.398 6.327 -4.418 1.00 0.00 C ATOM 448 CG LYS A 294 5.929 7.556 -5.199 1.00 0.00 C ATOM 449 CD LYS A 294 4.410 7.501 -5.377 1.00 0.00 C ATOM 450 CE LYS A 294 4.016 8.255 -6.648 1.00 0.00 C ATOM 451 NZ LYS A 294 2.825 9.062 -6.262 1.00 0.00 N ATOM 0 H LYS A 294 8.326 5.700 -3.120 1.00 0.00 H new ATOM 0 HA LYS A 294 6.431 7.728 -2.746 1.00 0.00 H new ATOM 0 HB2 LYS A 294 7.389 6.025 -4.756 1.00 0.00 H new ATOM 0 HB3 LYS A 294 5.728 5.487 -4.604 1.00 0.00 H new ATOM 0 HG2 LYS A 294 6.211 8.466 -4.669 1.00 0.00 H new ATOM 0 HG3 LYS A 294 6.419 7.590 -6.172 1.00 0.00 H new ATOM 0 HD2 LYS A 294 4.078 6.465 -5.439 1.00 0.00 H new ATOM 0 HD3 LYS A 294 3.916 7.943 -4.512 1.00 0.00 H new ATOM 0 HE2 LYS A 294 4.829 8.892 -6.997 1.00 0.00 H new ATOM 0 HE3 LYS A 294 3.780 7.566 -7.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 294 2.495 9.609 -7.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 294 2.066 8.428 -5.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 294 3.081 9.713 -5.493 1.00 0.00 H new ATOM 465 N LEU A 295 4.940 4.814 -2.397 1.00 0.00 N ATOM 466 CA LEU A 295 3.759 4.195 -1.737 1.00 0.00 C ATOM 467 C LEU A 295 3.698 4.623 -0.269 1.00 0.00 C ATOM 468 O LEU A 295 2.730 5.206 0.178 1.00 0.00 O ATOM 469 CB LEU A 295 3.987 2.687 -1.850 1.00 0.00 C ATOM 470 CG LEU A 295 3.850 2.258 -3.311 1.00 0.00 C ATOM 471 CD1 LEU A 295 4.489 0.882 -3.502 1.00 0.00 C ATOM 472 CD2 LEU A 295 2.367 2.186 -3.684 1.00 0.00 C ATOM 0 H LEU A 295 5.499 4.181 -2.969 1.00 0.00 H new ATOM 0 HA LEU A 295 2.818 4.497 -2.197 1.00 0.00 H new ATOM 0 HB2 LEU A 295 4.978 2.429 -1.476 1.00 0.00 H new ATOM 0 HB3 LEU A 295 3.264 2.152 -1.234 1.00 0.00 H new ATOM 0 HG LEU A 295 4.352 2.984 -3.950 1.00 0.00 H new ATOM 0 HD11 LEU A 295 4.391 0.577 -4.544 1.00 0.00 H new ATOM 0 HD12 LEU A 295 5.545 0.931 -3.236 1.00 0.00 H new ATOM 0 HD13 LEU A 295 3.987 0.156 -2.862 1.00 0.00 H new ATOM 0 HD21 LEU A 295 2.268 1.880 -4.726 1.00 0.00 H new ATOM 0 HD22 LEU A 295 1.866 1.460 -3.044 1.00 0.00 H new ATOM 0 HD23 LEU A 295 1.910 3.166 -3.549 1.00 0.00 H new ATOM 484 N LYS A 296 4.728 4.339 0.482 1.00 0.00 N ATOM 485 CA LYS A 296 4.735 4.730 1.919 1.00 0.00 C ATOM 486 C LYS A 296 4.178 6.147 2.078 1.00 0.00 C ATOM 487 O LYS A 296 3.201 6.367 2.765 1.00 0.00 O ATOM 488 CB LYS A 296 6.207 4.678 2.336 1.00 0.00 C ATOM 489 CG LYS A 296 6.400 5.450 3.643 1.00 0.00 C ATOM 490 CD LYS A 296 5.635 4.750 4.769 1.00 0.00 C ATOM 491 CE LYS A 296 6.125 5.274 6.121 1.00 0.00 C ATOM 492 NZ LYS A 296 5.686 6.697 6.162 1.00 0.00 N ATOM 0 H LYS A 296 5.565 3.853 0.161 1.00 0.00 H new ATOM 0 HA LYS A 296 4.117 4.074 2.532 1.00 0.00 H new ATOM 0 HB2 LYS A 296 6.522 3.643 2.464 1.00 0.00 H new ATOM 0 HB3 LYS A 296 6.832 5.107 1.553 1.00 0.00 H new ATOM 0 HG2 LYS A 296 7.460 5.507 3.890 1.00 0.00 H new ATOM 0 HG3 LYS A 296 6.044 6.474 3.529 1.00 0.00 H new ATOM 0 HD2 LYS A 296 4.565 4.930 4.663 1.00 0.00 H new ATOM 0 HD3 LYS A 296 5.784 3.672 4.709 1.00 0.00 H new ATOM 0 HE2 LYS A 296 5.695 4.704 6.945 1.00 0.00 H new ATOM 0 HE3 LYS A 296 7.208 5.192 6.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 296 5.606 7.007 7.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 296 6.383 7.290 5.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 296 4.761 6.789 5.695 1.00 0.00 H new ATOM 506 N ALA A 297 4.792 7.110 1.445 1.00 0.00 N ATOM 507 CA ALA A 297 4.297 8.508 1.556 1.00 0.00 C ATOM 508 C ALA A 297 2.770 8.533 1.449 1.00 0.00 C ATOM 509 O ALA A 297 2.077 8.828 2.399 1.00 0.00 O ATOM 510 CB ALA A 297 4.931 9.249 0.378 1.00 0.00 C ATOM 0 H ALA A 297 5.615 6.987 0.856 1.00 0.00 H new ATOM 0 HA ALA A 297 4.558 8.966 2.510 1.00 0.00 H new ATOM 0 HB1 ALA A 297 4.613 10.291 0.390 1.00 0.00 H new ATOM 0 HB2 ALA A 297 6.017 9.200 0.459 1.00 0.00 H new ATOM 0 HB3 ALA A 297 4.616 8.784 -0.556 1.00 0.00 H new ATOM 516 N LYS A 298 2.241 8.224 0.299 1.00 0.00 N ATOM 517 CA LYS A 298 0.762 8.230 0.138 1.00 0.00 C ATOM 518 C LYS A 298 0.100 7.455 1.283 1.00 0.00 C ATOM 519 O LYS A 298 -0.693 7.990 2.032 1.00 0.00 O ATOM 520 CB LYS A 298 0.507 7.532 -1.198 1.00 0.00 C ATOM 521 CG LYS A 298 -0.746 8.119 -1.851 1.00 0.00 C ATOM 522 CD LYS A 298 -1.068 7.341 -3.129 1.00 0.00 C ATOM 523 CE LYS A 298 -2.540 6.926 -3.117 1.00 0.00 C ATOM 524 NZ LYS A 298 -3.295 8.176 -3.410 1.00 0.00 N ATOM 0 H LYS A 298 2.769 7.968 -0.536 1.00 0.00 H new ATOM 0 HA LYS A 298 0.349 9.239 0.158 1.00 0.00 H new ATOM 0 HB2 LYS A 298 1.366 7.659 -1.856 1.00 0.00 H new ATOM 0 HB3 LYS A 298 0.381 6.461 -1.042 1.00 0.00 H new ATOM 0 HG2 LYS A 298 -1.587 8.068 -1.160 1.00 0.00 H new ATOM 0 HG3 LYS A 298 -0.588 9.172 -2.084 1.00 0.00 H new ATOM 0 HD2 LYS A 298 -0.860 7.957 -4.004 1.00 0.00 H new ATOM 0 HD3 LYS A 298 -0.431 6.459 -3.201 1.00 0.00 H new ATOM 0 HE2 LYS A 298 -2.740 6.159 -3.866 1.00 0.00 H new ATOM 0 HE3 LYS A 298 -2.825 6.510 -2.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 298 -3.982 8.353 -2.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 298 -2.633 8.975 -3.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 298 -3.798 8.074 -4.314 1.00 0.00 H new ATOM 538 N LEU A 299 0.415 6.196 1.414 1.00 0.00 N ATOM 539 CA LEU A 299 -0.196 5.375 2.496 1.00 0.00 C ATOM 540 C LEU A 299 -0.043 6.059 3.860 1.00 0.00 C ATOM 541 O LEU A 299 -0.941 6.031 4.678 1.00 0.00 O ATOM 542 CB LEU A 299 0.576 4.056 2.472 1.00 0.00 C ATOM 543 CG LEU A 299 -0.068 3.069 3.447 1.00 0.00 C ATOM 544 CD1 LEU A 299 -0.695 1.914 2.665 1.00 0.00 C ATOM 545 CD2 LEU A 299 0.999 2.522 4.397 1.00 0.00 C ATOM 0 H LEU A 299 1.073 5.698 0.814 1.00 0.00 H new ATOM 0 HA LEU A 299 -1.266 5.233 2.341 1.00 0.00 H new ATOM 0 HB2 LEU A 299 0.575 3.641 1.464 1.00 0.00 H new ATOM 0 HB3 LEU A 299 1.617 4.227 2.746 1.00 0.00 H new ATOM 0 HG LEU A 299 -0.841 3.579 4.023 1.00 0.00 H new ATOM 0 HD11 LEU A 299 -1.154 1.211 3.360 1.00 0.00 H new ATOM 0 HD12 LEU A 299 -1.455 2.303 1.988 1.00 0.00 H new ATOM 0 HD13 LEU A 299 0.077 1.403 2.089 1.00 0.00 H new ATOM 0 HD21 LEU A 299 0.541 1.819 5.092 1.00 0.00 H new ATOM 0 HD22 LEU A 299 1.772 2.012 3.822 1.00 0.00 H new ATOM 0 HD23 LEU A 299 1.446 3.345 4.955 1.00 0.00 H new ATOM 557 N LYS A 300 1.086 6.661 4.120 1.00 0.00 N ATOM 558 CA LYS A 300 1.283 7.329 5.441 1.00 0.00 C ATOM 559 C LYS A 300 0.040 8.149 5.814 1.00 0.00 C ATOM 560 O LYS A 300 -0.224 8.400 6.973 1.00 0.00 O ATOM 561 CB LYS A 300 2.522 8.223 5.263 1.00 0.00 C ATOM 562 CG LYS A 300 2.115 9.634 4.818 1.00 0.00 C ATOM 563 CD LYS A 300 2.027 10.550 6.040 1.00 0.00 C ATOM 564 CE LYS A 300 1.083 11.715 5.737 1.00 0.00 C ATOM 565 NZ LYS A 300 1.174 12.602 6.930 1.00 0.00 N ATOM 0 H LYS A 300 1.877 6.720 3.479 1.00 0.00 H new ATOM 0 HA LYS A 300 1.429 6.614 6.251 1.00 0.00 H new ATOM 0 HB2 LYS A 300 3.075 8.278 6.201 1.00 0.00 H new ATOM 0 HB3 LYS A 300 3.191 7.782 4.524 1.00 0.00 H new ATOM 0 HG2 LYS A 300 2.843 10.027 4.108 1.00 0.00 H new ATOM 0 HG3 LYS A 300 1.154 9.602 4.305 1.00 0.00 H new ATOM 0 HD2 LYS A 300 1.666 9.990 6.902 1.00 0.00 H new ATOM 0 HD3 LYS A 300 3.017 10.927 6.297 1.00 0.00 H new ATOM 0 HE2 LYS A 300 1.382 12.241 4.830 1.00 0.00 H new ATOM 0 HE3 LYS A 300 0.062 11.366 5.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 300 0.553 13.426 6.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 300 0.877 12.076 7.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 300 2.156 12.924 7.049 1.00 0.00 H new ATOM 579 N GLY A 301 -0.723 8.566 4.841 1.00 0.00 N ATOM 580 CA GLY A 301 -1.944 9.365 5.142 1.00 0.00 C ATOM 581 C GLY A 301 -3.080 8.938 4.211 1.00 0.00 C ATOM 582 O GLY A 301 -3.593 9.725 3.441 1.00 0.00 O ATOM 0 H GLY A 301 -0.554 8.388 3.851 1.00 0.00 H new ATOM 0 HA2 GLY A 301 -2.238 9.220 6.181 1.00 0.00 H new ATOM 0 HA3 GLY A 301 -1.736 10.427 5.015 1.00 0.00 H new ATOM 586 N ILE A 302 -3.478 7.697 4.275 1.00 0.00 N ATOM 587 CA ILE A 302 -4.582 7.222 3.392 1.00 0.00 C ATOM 588 C ILE A 302 -5.859 8.020 3.668 1.00 0.00 C ATOM 589 O ILE A 302 -6.365 8.037 4.773 1.00 0.00 O ATOM 590 CB ILE A 302 -4.778 5.751 3.759 1.00 0.00 C ATOM 591 CG1 ILE A 302 -3.615 4.928 3.198 1.00 0.00 C ATOM 592 CG2 ILE A 302 -6.093 5.246 3.162 1.00 0.00 C ATOM 593 CD1 ILE A 302 -3.708 4.888 1.671 1.00 0.00 C ATOM 0 H ILE A 302 -3.087 6.992 4.900 1.00 0.00 H new ATOM 0 HA ILE A 302 -4.350 7.350 2.335 1.00 0.00 H new ATOM 0 HB ILE A 302 -4.809 5.648 4.844 1.00 0.00 H new ATOM 0 HG12 ILE A 302 -2.665 5.366 3.504 1.00 0.00 H new ATOM 0 HG13 ILE A 302 -3.644 3.916 3.601 1.00 0.00 H new ATOM 0 HG21 ILE A 302 -6.232 4.197 3.424 1.00 0.00 H new ATOM 0 HG22 ILE A 302 -6.922 5.832 3.559 1.00 0.00 H new ATOM 0 HG23 ILE A 302 -6.063 5.348 2.077 1.00 0.00 H new ATOM 0 HD11 ILE A 302 -2.880 4.302 1.271 1.00 0.00 H new ATOM 0 HD12 ILE A 302 -4.652 4.430 1.376 1.00 0.00 H new ATOM 0 HD13 ILE A 302 -3.658 5.903 1.277 1.00 0.00 H new ATOM 605 N ARG A 303 -6.383 8.680 2.672 1.00 0.00 N ATOM 606 CA ARG A 303 -7.626 9.477 2.878 1.00 0.00 C ATOM 607 C ARG A 303 -8.724 8.599 3.483 1.00 0.00 C ATOM 608 O ARG A 303 -8.652 7.393 3.314 1.00 0.00 O ATOM 609 CB ARG A 303 -8.027 9.952 1.480 1.00 0.00 C ATOM 610 CG ARG A 303 -8.278 8.739 0.582 1.00 0.00 C ATOM 611 CD ARG A 303 -9.687 8.824 -0.009 1.00 0.00 C ATOM 612 NE ARG A 303 -10.573 8.218 1.023 1.00 0.00 N ATOM 613 CZ ARG A 303 -11.862 8.429 0.988 1.00 0.00 C ATOM 614 NH1 ARG A 303 -12.381 9.172 0.047 1.00 0.00 N ATOM 615 NH2 ARG A 303 -12.633 7.896 1.896 1.00 0.00 N ATOM 616 OXT ARG A 303 -9.619 9.148 4.106 1.00 0.00 O ATOM 0 H ARG A 303 -6.005 8.702 1.725 1.00 0.00 H new ATOM 0 HA ARG A 303 -7.474 10.310 3.564 1.00 0.00 H new ATOM 0 HB2 ARG A 303 -8.925 10.568 1.537 1.00 0.00 H new ATOM 0 HB3 ARG A 303 -7.239 10.575 1.056 1.00 0.00 H new ATOM 0 HG2 ARG A 303 -7.538 8.706 -0.218 1.00 0.00 H new ATOM 0 HG3 ARG A 303 -8.168 7.819 1.156 1.00 0.00 H new ATOM 0 HD2 ARG A 303 -9.968 9.857 -0.213 1.00 0.00 H new ATOM 0 HD3 ARG A 303 -9.753 8.283 -0.953 1.00 0.00 H new ATOM 0 HE ARG A 303 -10.173 7.637 1.759 1.00 0.00 H new ATOM 0 HH11 ARG A 303 -11.780 9.589 -0.663 1.00 0.00 H new ATOM 0 HH12 ARG A 303 -13.388 9.335 0.023 1.00 0.00 H new ATOM 0 HH21 ARG A 303 -12.229 7.316 2.631 1.00 0.00 H new ATOM 0 HH22 ARG A 303 -13.639 8.060 1.870 1.00 0.00 H new TER 630 ARG A 303