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 Set 1.1: A 292 TYR OH : rot 180:sc= 0.00189 USER MOD Set 1.2: A 296 LYS NZ :NH3+ -172:sc= 0.00116 (180deg=0) USER MOD Single : A 265 THR OG1 : rot -97:sc= -3.43! USER MOD Single : A 269 SER OG : rot 180:sc= -0.0422 USER MOD Single : A 272 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 273 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 278 LYS NZ :NH3+ -127:sc= -0.0435 (180deg=-0.47) USER MOD Single : A 279 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 280 MET CE :methyl -127:sc= -7.12! (180deg=-11.5!) USER MOD Single : A 285 SER OG : rot 180:sc= 0.028 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 294 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 20.287 -2.363 0.223 1.00 0.00 N ATOM 2 CA ILE A 264 19.662 -1.207 -0.481 1.00 0.00 C ATOM 3 C ILE A 264 18.844 -1.696 -1.680 1.00 0.00 C ATOM 4 O ILE A 264 19.353 -1.841 -2.773 1.00 0.00 O ATOM 5 CB ILE A 264 20.835 -0.345 -0.947 1.00 0.00 C ATOM 6 CG1 ILE A 264 21.818 -0.156 0.211 1.00 0.00 C ATOM 7 CG2 ILE A 264 20.317 1.020 -1.401 1.00 0.00 C ATOM 8 CD1 ILE A 264 21.081 0.427 1.418 1.00 0.00 C ATOM 0 HA ILE A 264 18.980 -0.652 0.163 1.00 0.00 H new ATOM 0 HB ILE A 264 21.340 -0.837 -1.778 1.00 0.00 H new ATOM 0 HG12 ILE A 264 22.272 -1.111 0.476 1.00 0.00 H new ATOM 0 HG13 ILE A 264 22.627 0.509 -0.090 1.00 0.00 H new ATOM 0 HG21 ILE A 264 21.154 1.635 -1.733 1.00 0.00 H new ATOM 0 HG22 ILE A 264 19.615 0.887 -2.224 1.00 0.00 H new ATOM 0 HG23 ILE A 264 19.813 1.513 -0.570 1.00 0.00 H new ATOM 0 HD11 ILE A 264 21.782 0.561 2.242 1.00 0.00 H new ATOM 0 HD12 ILE A 264 20.648 1.391 1.149 1.00 0.00 H new ATOM 0 HD13 ILE A 264 20.287 -0.255 1.724 1.00 0.00 H new ATOM 22 N THR A 265 17.580 -1.953 -1.482 1.00 0.00 N ATOM 23 CA THR A 265 16.731 -2.434 -2.608 1.00 0.00 C ATOM 24 C THR A 265 16.198 -1.246 -3.415 1.00 0.00 C ATOM 25 O THR A 265 16.612 -0.119 -3.227 1.00 0.00 O ATOM 26 CB THR A 265 15.581 -3.189 -1.940 1.00 0.00 C ATOM 27 OG1 THR A 265 14.694 -3.675 -2.937 1.00 0.00 O ATOM 28 CG2 THR A 265 14.828 -2.247 -0.999 1.00 0.00 C ATOM 0 H THR A 265 17.099 -1.851 -0.589 1.00 0.00 H new ATOM 0 HA THR A 265 17.285 -3.065 -3.303 1.00 0.00 H new ATOM 0 HB THR A 265 15.979 -4.027 -1.368 1.00 0.00 H new ATOM 0 HG1 THR A 265 13.942 -3.055 -3.036 1.00 0.00 H new ATOM 0 HG21 THR A 265 14.009 -2.786 -0.524 1.00 0.00 H new ATOM 0 HG22 THR A 265 15.510 -1.875 -0.234 1.00 0.00 H new ATOM 0 HG23 THR A 265 14.428 -1.408 -1.568 1.00 0.00 H new ATOM 36 N GLY A 266 15.282 -1.491 -4.313 1.00 0.00 N ATOM 37 CA GLY A 266 14.723 -0.378 -5.132 1.00 0.00 C ATOM 38 C GLY A 266 13.526 -0.888 -5.936 1.00 0.00 C ATOM 39 O GLY A 266 12.396 -0.823 -5.494 1.00 0.00 O ATOM 0 H GLY A 266 14.897 -2.414 -4.515 1.00 0.00 H new ATOM 0 HA2 GLY A 266 14.417 0.445 -4.486 1.00 0.00 H new ATOM 0 HA3 GLY A 266 15.487 0.012 -5.805 1.00 0.00 H new ATOM 43 N ASP A 267 13.763 -1.400 -7.114 1.00 0.00 N ATOM 44 CA ASP A 267 12.645 -1.917 -7.943 1.00 0.00 C ATOM 45 C ASP A 267 11.780 -2.882 -7.126 1.00 0.00 C ATOM 46 O ASP A 267 10.634 -3.130 -7.446 1.00 0.00 O ATOM 47 CB ASP A 267 13.340 -2.639 -9.099 1.00 0.00 C ATOM 48 CG ASP A 267 13.815 -4.021 -8.642 1.00 0.00 C ATOM 49 OD1 ASP A 267 14.451 -4.094 -7.604 1.00 0.00 O ATOM 50 OD2 ASP A 267 13.533 -4.982 -9.339 1.00 0.00 O ATOM 0 H ASP A 267 14.688 -1.481 -7.536 1.00 0.00 H new ATOM 0 HA ASP A 267 11.975 -1.132 -8.293 1.00 0.00 H new ATOM 0 HB2 ASP A 267 12.654 -2.741 -9.940 1.00 0.00 H new ATOM 0 HB3 ASP A 267 14.188 -2.051 -9.449 1.00 0.00 H new ATOM 55 N VAL A 268 12.321 -3.423 -6.069 1.00 0.00 N ATOM 56 CA VAL A 268 11.533 -4.369 -5.223 1.00 0.00 C ATOM 57 C VAL A 268 10.480 -3.589 -4.431 1.00 0.00 C ATOM 58 O VAL A 268 10.147 -2.470 -4.767 1.00 0.00 O ATOM 59 CB VAL A 268 12.554 -5.029 -4.281 1.00 0.00 C ATOM 60 CG1 VAL A 268 12.010 -6.377 -3.800 1.00 0.00 C ATOM 61 CG2 VAL A 268 13.876 -5.268 -5.020 1.00 0.00 C ATOM 0 H VAL A 268 13.276 -3.252 -5.753 1.00 0.00 H new ATOM 0 HA VAL A 268 11.005 -5.117 -5.814 1.00 0.00 H new ATOM 0 HB VAL A 268 12.725 -4.368 -3.431 1.00 0.00 H new ATOM 0 HG11 VAL A 268 12.734 -6.844 -3.132 1.00 0.00 H new ATOM 0 HG12 VAL A 268 11.072 -6.221 -3.267 1.00 0.00 H new ATOM 0 HG13 VAL A 268 11.836 -7.026 -4.658 1.00 0.00 H new ATOM 0 HG21 VAL A 268 14.592 -5.736 -4.344 1.00 0.00 H new ATOM 0 HG22 VAL A 268 13.702 -5.923 -5.874 1.00 0.00 H new ATOM 0 HG23 VAL A 268 14.275 -4.316 -5.369 1.00 0.00 H new ATOM 71 N SER A 269 9.952 -4.177 -3.392 1.00 0.00 N ATOM 72 CA SER A 269 8.914 -3.484 -2.571 1.00 0.00 C ATOM 73 C SER A 269 9.221 -1.988 -2.467 1.00 0.00 C ATOM 74 O SER A 269 8.329 -1.163 -2.434 1.00 0.00 O ATOM 75 CB SER A 269 8.996 -4.142 -1.195 1.00 0.00 C ATOM 76 OG SER A 269 10.249 -3.832 -0.599 1.00 0.00 O ATOM 0 H SER A 269 10.196 -5.115 -3.073 1.00 0.00 H new ATOM 0 HA SER A 269 7.920 -3.571 -3.010 1.00 0.00 H new ATOM 0 HB2 SER A 269 8.182 -3.789 -0.562 1.00 0.00 H new ATOM 0 HB3 SER A 269 8.882 -5.222 -1.288 1.00 0.00 H new ATOM 0 HG SER A 269 10.304 -4.252 0.285 1.00 0.00 H new ATOM 82 N ALA A 270 10.476 -1.630 -2.423 1.00 0.00 N ATOM 83 CA ALA A 270 10.835 -0.189 -2.330 1.00 0.00 C ATOM 84 C ALA A 270 9.962 0.624 -3.289 1.00 0.00 C ATOM 85 O ALA A 270 9.225 1.500 -2.883 1.00 0.00 O ATOM 86 CB ALA A 270 12.304 -0.117 -2.747 1.00 0.00 C ATOM 0 H ALA A 270 11.267 -2.274 -2.448 1.00 0.00 H new ATOM 0 HA ALA A 270 10.680 0.217 -1.330 1.00 0.00 H new ATOM 0 HB1 ALA A 270 12.644 0.918 -2.704 1.00 0.00 H new ATOM 0 HB2 ALA A 270 12.905 -0.725 -2.070 1.00 0.00 H new ATOM 0 HB3 ALA A 270 12.412 -0.493 -3.764 1.00 0.00 H new ATOM 92 N ALA A 271 10.036 0.334 -4.559 1.00 0.00 N ATOM 93 CA ALA A 271 9.210 1.078 -5.543 1.00 0.00 C ATOM 94 C ALA A 271 7.744 0.656 -5.418 1.00 0.00 C ATOM 95 O ALA A 271 6.846 1.476 -5.433 1.00 0.00 O ATOM 96 CB ALA A 271 9.769 0.685 -6.911 1.00 0.00 C ATOM 0 H ALA A 271 10.636 -0.389 -4.956 1.00 0.00 H new ATOM 0 HA ALA A 271 9.247 2.156 -5.386 1.00 0.00 H new ATOM 0 HB1 ALA A 271 9.208 1.196 -7.694 1.00 0.00 H new ATOM 0 HB2 ALA A 271 10.819 0.971 -6.971 1.00 0.00 H new ATOM 0 HB3 ALA A 271 9.679 -0.393 -7.045 1.00 0.00 H new ATOM 102 N ASN A 272 7.497 -0.620 -5.291 1.00 0.00 N ATOM 103 CA ASN A 272 6.092 -1.099 -5.161 1.00 0.00 C ATOM 104 C ASN A 272 5.406 -0.397 -3.987 1.00 0.00 C ATOM 105 O ASN A 272 4.304 0.100 -4.107 1.00 0.00 O ATOM 106 CB ASN A 272 6.207 -2.600 -4.897 1.00 0.00 C ATOM 107 CG ASN A 272 5.917 -3.370 -6.186 1.00 0.00 C ATOM 108 OD1 ASN A 272 5.140 -4.304 -6.188 1.00 0.00 O ATOM 109 ND2 ASN A 272 6.514 -3.016 -7.291 1.00 0.00 N ATOM 0 H ASN A 272 8.208 -1.351 -5.272 1.00 0.00 H new ATOM 0 HA ASN A 272 5.498 -0.888 -6.050 1.00 0.00 H new ATOM 0 HB2 ASN A 272 7.206 -2.840 -4.535 1.00 0.00 H new ATOM 0 HB3 ASN A 272 5.505 -2.897 -4.118 1.00 0.00 H new ATOM 0 HD21 ASN A 272 6.328 -3.523 -8.156 1.00 0.00 H new ATOM 0 HD22 ASN A 272 7.166 -2.232 -7.290 1.00 0.00 H new ATOM 116 N LYS A 273 6.052 -0.352 -2.852 1.00 0.00 N ATOM 117 CA LYS A 273 5.441 0.319 -1.671 1.00 0.00 C ATOM 118 C LYS A 273 4.773 1.627 -2.100 1.00 0.00 C ATOM 119 O LYS A 273 3.565 1.749 -2.099 1.00 0.00 O ATOM 120 CB LYS A 273 6.609 0.597 -0.725 1.00 0.00 C ATOM 121 CG LYS A 273 6.078 1.186 0.584 1.00 0.00 C ATOM 122 CD LYS A 273 7.229 1.833 1.357 1.00 0.00 C ATOM 123 CE LYS A 273 7.362 3.300 0.943 1.00 0.00 C ATOM 124 NZ LYS A 273 8.238 3.914 1.980 1.00 0.00 N ATOM 0 H LYS A 273 6.977 -0.752 -2.693 1.00 0.00 H new ATOM 0 HA LYS A 273 4.672 -0.292 -1.198 1.00 0.00 H new ATOM 0 HB2 LYS A 273 7.156 -0.324 -0.526 1.00 0.00 H new ATOM 0 HB3 LYS A 273 7.310 1.290 -1.190 1.00 0.00 H new ATOM 0 HG2 LYS A 273 5.305 1.926 0.375 1.00 0.00 H new ATOM 0 HG3 LYS A 273 5.616 0.404 1.186 1.00 0.00 H new ATOM 0 HD2 LYS A 273 7.046 1.762 2.429 1.00 0.00 H new ATOM 0 HD3 LYS A 273 8.159 1.302 1.157 1.00 0.00 H new ATOM 0 HE2 LYS A 273 7.802 3.392 -0.050 1.00 0.00 H new ATOM 0 HE3 LYS A 273 6.389 3.790 0.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 273 8.376 4.922 1.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 273 7.791 3.817 2.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 273 9.159 3.432 1.986 1.00 0.00 H new ATOM 138 N ASP A 274 5.553 2.606 -2.471 1.00 0.00 N ATOM 139 CA ASP A 274 4.966 3.903 -2.904 1.00 0.00 C ATOM 140 C ASP A 274 3.761 3.655 -3.815 1.00 0.00 C ATOM 141 O ASP A 274 2.655 4.066 -3.523 1.00 0.00 O ATOM 142 CB ASP A 274 6.084 4.608 -3.673 1.00 0.00 C ATOM 143 CG ASP A 274 5.498 5.763 -4.486 1.00 0.00 C ATOM 144 OD1 ASP A 274 4.936 6.662 -3.882 1.00 0.00 O ATOM 145 OD2 ASP A 274 5.621 5.730 -5.700 1.00 0.00 O ATOM 0 H ASP A 274 6.572 2.562 -2.492 1.00 0.00 H new ATOM 0 HA ASP A 274 4.613 4.500 -2.063 1.00 0.00 H new ATOM 0 HB2 ASP A 274 6.836 4.983 -2.979 1.00 0.00 H new ATOM 0 HB3 ASP A 274 6.585 3.902 -4.335 1.00 0.00 H new ATOM 150 N ALA A 275 3.967 2.985 -4.916 1.00 0.00 N ATOM 151 CA ALA A 275 2.836 2.709 -5.842 1.00 0.00 C ATOM 152 C ALA A 275 1.616 2.221 -5.056 1.00 0.00 C ATOM 153 O ALA A 275 0.588 2.868 -5.020 1.00 0.00 O ATOM 154 CB ALA A 275 3.347 1.613 -6.777 1.00 0.00 C ATOM 0 H ALA A 275 4.871 2.617 -5.213 1.00 0.00 H new ATOM 0 HA ALA A 275 2.525 3.598 -6.390 1.00 0.00 H new ATOM 0 HB1 ALA A 275 2.567 1.353 -7.493 1.00 0.00 H new ATOM 0 HB2 ALA A 275 4.226 1.972 -7.312 1.00 0.00 H new ATOM 0 HB3 ALA A 275 3.613 0.732 -6.193 1.00 0.00 H new ATOM 160 N ILE A 276 1.723 1.081 -4.427 1.00 0.00 N ATOM 161 CA ILE A 276 0.574 0.547 -3.644 1.00 0.00 C ATOM 162 C ILE A 276 -0.100 1.671 -2.853 1.00 0.00 C ATOM 163 O ILE A 276 -1.288 1.897 -2.969 1.00 0.00 O ATOM 164 CB ILE A 276 1.187 -0.482 -2.695 1.00 0.00 C ATOM 165 CG1 ILE A 276 1.540 -1.749 -3.478 1.00 0.00 C ATOM 166 CG2 ILE A 276 0.181 -0.827 -1.595 1.00 0.00 C ATOM 167 CD1 ILE A 276 2.081 -2.809 -2.517 1.00 0.00 C ATOM 0 H ILE A 276 2.559 0.496 -4.423 1.00 0.00 H new ATOM 0 HA ILE A 276 -0.192 0.108 -4.284 1.00 0.00 H new ATOM 0 HB ILE A 276 2.089 -0.068 -2.244 1.00 0.00 H new ATOM 0 HG12 ILE A 276 0.658 -2.128 -3.995 1.00 0.00 H new ATOM 0 HG13 ILE A 276 2.284 -1.522 -4.242 1.00 0.00 H new ATOM 0 HG21 ILE A 276 0.619 -1.561 -0.919 1.00 0.00 H new ATOM 0 HG22 ILE A 276 -0.072 0.075 -1.037 1.00 0.00 H new ATOM 0 HG23 ILE A 276 -0.722 -1.241 -2.044 1.00 0.00 H new ATOM 0 HD11 ILE A 276 2.332 -3.711 -3.075 1.00 0.00 H new ATOM 0 HD12 ILE A 276 2.974 -2.429 -2.021 1.00 0.00 H new ATOM 0 HD13 ILE A 276 1.323 -3.044 -1.770 1.00 0.00 H new ATOM 179 N ARG A 277 0.650 2.374 -2.049 1.00 0.00 N ATOM 180 CA ARG A 277 0.051 3.482 -1.250 1.00 0.00 C ATOM 181 C ARG A 277 -0.917 4.294 -2.113 1.00 0.00 C ATOM 182 O ARG A 277 -2.111 4.296 -1.887 1.00 0.00 O ATOM 183 CB ARG A 277 1.237 4.343 -0.815 1.00 0.00 C ATOM 184 CG ARG A 277 1.326 4.356 0.712 1.00 0.00 C ATOM 185 CD ARG A 277 2.523 3.514 1.162 1.00 0.00 C ATOM 186 NE ARG A 277 2.537 3.629 2.647 1.00 0.00 N ATOM 187 CZ ARG A 277 1.697 2.934 3.367 1.00 0.00 C ATOM 188 NH1 ARG A 277 0.838 2.137 2.790 1.00 0.00 N ATOM 189 NH2 ARG A 277 1.715 3.037 4.668 1.00 0.00 N ATOM 0 H ARG A 277 1.650 2.230 -1.911 1.00 0.00 H new ATOM 0 HA ARG A 277 -0.519 3.115 -0.397 1.00 0.00 H new ATOM 0 HB2 ARG A 277 2.160 3.950 -1.240 1.00 0.00 H new ATOM 0 HB3 ARG A 277 1.120 5.359 -1.192 1.00 0.00 H new ATOM 0 HG2 ARG A 277 1.432 5.379 1.072 1.00 0.00 H new ATOM 0 HG3 ARG A 277 0.407 3.960 1.144 1.00 0.00 H new ATOM 0 HD2 ARG A 277 2.416 2.476 0.847 1.00 0.00 H new ATOM 0 HD3 ARG A 277 3.452 3.885 0.728 1.00 0.00 H new ATOM 0 HE ARG A 277 3.204 4.252 3.103 1.00 0.00 H new ATOM 0 HH11 ARG A 277 0.821 2.055 1.773 1.00 0.00 H new ATOM 0 HH12 ARG A 277 0.184 1.596 3.356 1.00 0.00 H new ATOM 0 HH21 ARG A 277 2.384 3.659 5.121 1.00 0.00 H new ATOM 0 HH22 ARG A 277 1.060 2.495 5.232 1.00 0.00 H new ATOM 203 N LYS A 278 -0.414 4.983 -3.101 1.00 0.00 N ATOM 204 CA LYS A 278 -1.308 5.791 -3.976 1.00 0.00 C ATOM 205 C LYS A 278 -2.573 4.997 -4.312 1.00 0.00 C ATOM 206 O LYS A 278 -3.676 5.419 -4.027 1.00 0.00 O ATOM 207 CB LYS A 278 -0.489 6.060 -5.239 1.00 0.00 C ATOM 208 CG LYS A 278 -0.840 7.444 -5.790 1.00 0.00 C ATOM 209 CD LYS A 278 -0.781 7.416 -7.319 1.00 0.00 C ATOM 210 CE LYS A 278 -0.698 8.847 -7.854 1.00 0.00 C ATOM 211 NZ LYS A 278 0.713 9.262 -7.622 1.00 0.00 N ATOM 0 H LYS A 278 0.577 5.021 -3.339 1.00 0.00 H new ATOM 0 HA LYS A 278 -1.631 6.716 -3.498 1.00 0.00 H new ATOM 0 HB2 LYS A 278 0.576 6.006 -5.013 1.00 0.00 H new ATOM 0 HB3 LYS A 278 -0.695 5.296 -5.988 1.00 0.00 H new ATOM 0 HG2 LYS A 278 -1.837 7.736 -5.459 1.00 0.00 H new ATOM 0 HG3 LYS A 278 -0.144 8.188 -5.402 1.00 0.00 H new ATOM 0 HD2 LYS A 278 0.085 6.842 -7.649 1.00 0.00 H new ATOM 0 HD3 LYS A 278 -1.665 6.918 -7.718 1.00 0.00 H new ATOM 0 HE2 LYS A 278 -0.953 8.888 -8.913 1.00 0.00 H new ATOM 0 HE3 LYS A 278 -1.394 9.505 -7.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 278 0.729 10.161 -7.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 278 1.203 8.531 -7.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 278 1.194 9.384 -8.536 1.00 0.00 H new ATOM 225 N GLN A 279 -2.423 3.850 -4.916 1.00 0.00 N ATOM 226 CA GLN A 279 -3.613 3.031 -5.269 1.00 0.00 C ATOM 227 C GLN A 279 -4.529 2.872 -4.052 1.00 0.00 C ATOM 228 O GLN A 279 -5.647 3.351 -4.036 1.00 0.00 O ATOM 229 CB GLN A 279 -3.049 1.675 -5.694 1.00 0.00 C ATOM 230 CG GLN A 279 -3.258 1.483 -7.197 1.00 0.00 C ATOM 231 CD GLN A 279 -2.596 0.178 -7.642 1.00 0.00 C ATOM 232 OE1 GLN A 279 -2.107 -0.577 -6.826 1.00 0.00 O ATOM 233 NE2 GLN A 279 -2.560 -0.121 -8.912 1.00 0.00 N ATOM 0 H GLN A 279 -1.525 3.445 -5.180 1.00 0.00 H new ATOM 0 HA GLN A 279 -4.210 3.491 -6.057 1.00 0.00 H new ATOM 0 HB2 GLN A 279 -1.987 1.620 -5.454 1.00 0.00 H new ATOM 0 HB3 GLN A 279 -3.543 0.875 -5.142 1.00 0.00 H new ATOM 0 HG2 GLN A 279 -4.323 1.459 -7.427 1.00 0.00 H new ATOM 0 HG3 GLN A 279 -2.832 2.324 -7.744 1.00 0.00 H new ATOM 0 HE21 GLN A 279 -2.971 0.513 -9.597 1.00 0.00 H new ATOM 0 HE22 GLN A 279 -2.121 -0.989 -9.219 1.00 0.00 H new ATOM 242 N MET A 280 -4.065 2.202 -3.032 1.00 0.00 N ATOM 243 CA MET A 280 -4.911 2.012 -1.819 1.00 0.00 C ATOM 244 C MET A 280 -5.439 3.362 -1.328 1.00 0.00 C ATOM 245 O MET A 280 -6.465 3.441 -0.683 1.00 0.00 O ATOM 246 CB MET A 280 -3.983 1.378 -0.780 1.00 0.00 C ATOM 247 CG MET A 280 -2.905 2.383 -0.365 1.00 0.00 C ATOM 248 SD MET A 280 -2.278 1.950 1.277 1.00 0.00 S ATOM 249 CE MET A 280 -1.806 0.245 0.898 1.00 0.00 C ATOM 0 H MET A 280 -3.138 1.779 -2.986 1.00 0.00 H new ATOM 0 HA MET A 280 -5.782 1.386 -2.015 1.00 0.00 H new ATOM 0 HB2 MET A 280 -4.558 1.066 0.092 1.00 0.00 H new ATOM 0 HB3 MET A 280 -3.519 0.482 -1.192 1.00 0.00 H new ATOM 0 HG2 MET A 280 -2.091 2.379 -1.090 1.00 0.00 H new ATOM 0 HG3 MET A 280 -3.318 3.392 -0.354 1.00 0.00 H new ATOM 0 HE1 MET A 280 -2.264 -0.429 1.622 1.00 0.00 H new ATOM 0 HE2 MET A 280 -2.147 -0.013 -0.105 1.00 0.00 H new ATOM 0 HE3 MET A 280 -0.721 0.148 0.948 1.00 0.00 H new ATOM 259 N ASP A 281 -4.749 4.427 -1.634 1.00 0.00 N ATOM 260 CA ASP A 281 -5.218 5.769 -1.188 1.00 0.00 C ATOM 261 C ASP A 281 -6.568 6.087 -1.834 1.00 0.00 C ATOM 262 O ASP A 281 -7.567 6.254 -1.162 1.00 0.00 O ATOM 263 CB ASP A 281 -4.146 6.745 -1.674 1.00 0.00 C ATOM 264 CG ASP A 281 -3.930 7.833 -0.621 1.00 0.00 C ATOM 265 OD1 ASP A 281 -4.791 8.689 -0.497 1.00 0.00 O ATOM 266 OD2 ASP A 281 -2.908 7.793 0.045 1.00 0.00 O ATOM 0 H ASP A 281 -3.883 4.426 -2.172 1.00 0.00 H new ATOM 0 HA ASP A 281 -5.357 5.826 -0.108 1.00 0.00 H new ATOM 0 HB2 ASP A 281 -3.213 6.213 -1.860 1.00 0.00 H new ATOM 0 HB3 ASP A 281 -4.450 7.194 -2.619 1.00 0.00 H new ATOM 271 N ALA A 282 -6.605 6.172 -3.136 1.00 0.00 N ATOM 272 CA ALA A 282 -7.883 6.478 -3.830 1.00 0.00 C ATOM 273 C ALA A 282 -8.979 5.506 -3.384 1.00 0.00 C ATOM 274 O ALA A 282 -10.141 5.852 -3.326 1.00 0.00 O ATOM 275 CB ALA A 282 -7.578 6.297 -5.317 1.00 0.00 C ATOM 0 H ALA A 282 -5.800 6.042 -3.749 1.00 0.00 H new ATOM 0 HA ALA A 282 -8.243 7.482 -3.605 1.00 0.00 H new ATOM 0 HB1 ALA A 282 -8.475 6.505 -5.900 1.00 0.00 H new ATOM 0 HB2 ALA A 282 -6.785 6.984 -5.612 1.00 0.00 H new ATOM 0 HB3 ALA A 282 -7.256 5.272 -5.500 1.00 0.00 H new ATOM 281 N ALA A 283 -8.620 4.289 -3.075 1.00 0.00 N ATOM 282 CA ALA A 283 -9.645 3.297 -2.640 1.00 0.00 C ATOM 283 C ALA A 283 -9.883 3.394 -1.130 1.00 0.00 C ATOM 284 O ALA A 283 -10.889 2.940 -0.621 1.00 0.00 O ATOM 285 CB ALA A 283 -9.055 1.934 -3.000 1.00 0.00 C ATOM 0 H ALA A 283 -7.662 3.939 -3.105 1.00 0.00 H new ATOM 0 HA ALA A 283 -10.608 3.468 -3.121 1.00 0.00 H new ATOM 0 HB1 ALA A 283 -9.752 1.148 -2.710 1.00 0.00 H new ATOM 0 HB2 ALA A 283 -8.880 1.886 -4.075 1.00 0.00 H new ATOM 0 HB3 ALA A 283 -8.112 1.795 -2.472 1.00 0.00 H new ATOM 291 N ALA A 284 -8.963 3.972 -0.409 1.00 0.00 N ATOM 292 CA ALA A 284 -9.135 4.086 1.068 1.00 0.00 C ATOM 293 C ALA A 284 -10.022 5.284 1.427 1.00 0.00 C ATOM 294 O ALA A 284 -11.105 5.129 1.956 1.00 0.00 O ATOM 295 CB ALA A 284 -7.722 4.288 1.614 1.00 0.00 C ATOM 0 H ALA A 284 -8.099 4.371 -0.778 1.00 0.00 H new ATOM 0 HA ALA A 284 -9.621 3.205 1.488 1.00 0.00 H new ATOM 0 HB1 ALA A 284 -7.761 4.381 2.699 1.00 0.00 H new ATOM 0 HB2 ALA A 284 -7.102 3.432 1.345 1.00 0.00 H new ATOM 0 HB3 ALA A 284 -7.293 5.195 1.187 1.00 0.00 H new ATOM 301 N SER A 285 -9.566 6.476 1.155 1.00 0.00 N ATOM 302 CA SER A 285 -10.376 7.682 1.494 1.00 0.00 C ATOM 303 C SER A 285 -11.377 7.991 0.378 1.00 0.00 C ATOM 304 O SER A 285 -11.521 9.122 -0.043 1.00 0.00 O ATOM 305 CB SER A 285 -9.360 8.815 1.631 1.00 0.00 C ATOM 306 OG SER A 285 -8.568 8.880 0.452 1.00 0.00 O ATOM 0 H SER A 285 -8.667 6.668 0.712 1.00 0.00 H new ATOM 0 HA SER A 285 -10.958 7.540 2.405 1.00 0.00 H new ATOM 0 HB2 SER A 285 -9.874 9.763 1.790 1.00 0.00 H new ATOM 0 HB3 SER A 285 -8.725 8.647 2.501 1.00 0.00 H new ATOM 0 HG SER A 285 -7.916 9.607 0.536 1.00 0.00 H new ATOM 312 N LYS A 286 -12.070 6.998 -0.103 1.00 0.00 N ATOM 313 CA LYS A 286 -13.061 7.240 -1.189 1.00 0.00 C ATOM 314 C LYS A 286 -14.371 6.501 -0.898 1.00 0.00 C ATOM 315 O LYS A 286 -15.438 6.937 -1.282 1.00 0.00 O ATOM 316 CB LYS A 286 -12.403 6.692 -2.456 1.00 0.00 C ATOM 317 CG LYS A 286 -13.463 6.496 -3.543 1.00 0.00 C ATOM 318 CD LYS A 286 -12.796 6.535 -4.919 1.00 0.00 C ATOM 319 CE LYS A 286 -12.807 7.970 -5.451 1.00 0.00 C ATOM 320 NZ LYS A 286 -13.169 7.843 -6.890 1.00 0.00 N ATOM 0 H LYS A 286 -11.994 6.030 0.208 1.00 0.00 H new ATOM 0 HA LYS A 286 -13.314 8.296 -1.284 1.00 0.00 H new ATOM 0 HB2 LYS A 286 -11.633 7.380 -2.805 1.00 0.00 H new ATOM 0 HB3 LYS A 286 -11.909 5.744 -2.241 1.00 0.00 H new ATOM 0 HG2 LYS A 286 -13.973 5.543 -3.401 1.00 0.00 H new ATOM 0 HG3 LYS A 286 -14.221 7.276 -3.472 1.00 0.00 H new ATOM 0 HD2 LYS A 286 -11.771 6.170 -4.849 1.00 0.00 H new ATOM 0 HD3 LYS A 286 -13.323 5.876 -5.609 1.00 0.00 H new ATOM 0 HE2 LYS A 286 -13.530 8.585 -4.915 1.00 0.00 H new ATOM 0 HE3 LYS A 286 -11.833 8.444 -5.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 286 -13.197 8.787 -7.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 286 -12.459 7.258 -7.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 286 -14.104 7.395 -6.975 1.00 0.00 H new ATOM 334 N GLY A 287 -14.299 5.384 -0.231 1.00 0.00 N ATOM 335 CA GLY A 287 -15.537 4.616 0.074 1.00 0.00 C ATOM 336 C GLY A 287 -15.228 3.124 -0.023 1.00 0.00 C ATOM 337 O GLY A 287 -15.628 2.339 0.813 1.00 0.00 O ATOM 0 H GLY A 287 -13.435 4.969 0.117 1.00 0.00 H new ATOM 0 HA2 GLY A 287 -15.897 4.862 1.073 1.00 0.00 H new ATOM 0 HA3 GLY A 287 -16.329 4.884 -0.626 1.00 0.00 H new ATOM 341 N ASP A 288 -14.505 2.730 -1.035 1.00 0.00 N ATOM 342 CA ASP A 288 -14.154 1.291 -1.183 1.00 0.00 C ATOM 343 C ASP A 288 -12.981 0.956 -0.262 1.00 0.00 C ATOM 344 O ASP A 288 -11.979 0.412 -0.684 1.00 0.00 O ATOM 345 CB ASP A 288 -13.756 1.124 -2.650 1.00 0.00 C ATOM 346 CG ASP A 288 -13.507 -0.356 -2.947 1.00 0.00 C ATOM 347 OD1 ASP A 288 -14.144 -1.182 -2.314 1.00 0.00 O ATOM 348 OD2 ASP A 288 -12.683 -0.638 -3.801 1.00 0.00 O ATOM 0 H ASP A 288 -14.143 3.343 -1.765 1.00 0.00 H new ATOM 0 HA ASP A 288 -14.977 0.628 -0.916 1.00 0.00 H new ATOM 0 HB2 ASP A 288 -14.544 1.508 -3.297 1.00 0.00 H new ATOM 0 HB3 ASP A 288 -12.858 1.704 -2.862 1.00 0.00 H new ATOM 353 N VAL A 289 -13.099 1.284 0.995 1.00 0.00 N ATOM 354 CA VAL A 289 -11.993 0.995 1.950 1.00 0.00 C ATOM 355 C VAL A 289 -11.695 -0.505 1.974 1.00 0.00 C ATOM 356 O VAL A 289 -10.658 -0.934 2.441 1.00 0.00 O ATOM 357 CB VAL A 289 -12.510 1.467 3.310 1.00 0.00 C ATOM 358 CG1 VAL A 289 -11.354 1.495 4.311 1.00 0.00 C ATOM 359 CG2 VAL A 289 -13.095 2.875 3.170 1.00 0.00 C ATOM 0 H VAL A 289 -13.915 1.740 1.402 1.00 0.00 H new ATOM 0 HA VAL A 289 -11.065 1.496 1.674 1.00 0.00 H new ATOM 0 HB VAL A 289 -13.282 0.784 3.664 1.00 0.00 H new ATOM 0 HG11 VAL A 289 -11.721 1.831 5.281 1.00 0.00 H new ATOM 0 HG12 VAL A 289 -10.933 0.494 4.409 1.00 0.00 H new ATOM 0 HG13 VAL A 289 -10.583 2.180 3.957 1.00 0.00 H new ATOM 0 HG21 VAL A 289 -13.464 3.214 4.138 1.00 0.00 H new ATOM 0 HG22 VAL A 289 -12.321 3.557 2.818 1.00 0.00 H new ATOM 0 HG23 VAL A 289 -13.917 2.858 2.454 1.00 0.00 H new ATOM 369 N GLU A 290 -12.589 -1.309 1.468 1.00 0.00 N ATOM 370 CA GLU A 290 -12.343 -2.773 1.458 1.00 0.00 C ATOM 371 C GLU A 290 -10.914 -3.047 0.990 1.00 0.00 C ATOM 372 O GLU A 290 -10.072 -3.488 1.748 1.00 0.00 O ATOM 373 CB GLU A 290 -13.353 -3.332 0.458 1.00 0.00 C ATOM 374 CG GLU A 290 -13.474 -4.846 0.643 1.00 0.00 C ATOM 375 CD GLU A 290 -14.193 -5.145 1.960 1.00 0.00 C ATOM 376 OE1 GLU A 290 -15.399 -4.962 2.009 1.00 0.00 O ATOM 377 OE2 GLU A 290 -13.526 -5.550 2.898 1.00 0.00 O ATOM 0 H GLU A 290 -13.477 -1.013 1.062 1.00 0.00 H new ATOM 0 HA GLU A 290 -12.454 -3.228 2.442 1.00 0.00 H new ATOM 0 HB2 GLU A 290 -14.324 -2.859 0.604 1.00 0.00 H new ATOM 0 HB3 GLU A 290 -13.037 -3.104 -0.560 1.00 0.00 H new ATOM 0 HG2 GLU A 290 -14.024 -5.282 -0.191 1.00 0.00 H new ATOM 0 HG3 GLU A 290 -12.484 -5.303 0.645 1.00 0.00 H new ATOM 384 N THR A 291 -10.635 -2.779 -0.255 1.00 0.00 N ATOM 385 CA THR A 291 -9.264 -3.012 -0.780 1.00 0.00 C ATOM 386 C THR A 291 -8.231 -2.352 0.138 1.00 0.00 C ATOM 387 O THR A 291 -7.213 -2.930 0.460 1.00 0.00 O ATOM 388 CB THR A 291 -9.253 -2.358 -2.163 1.00 0.00 C ATOM 389 OG1 THR A 291 -10.041 -3.132 -3.056 1.00 0.00 O ATOM 390 CG2 THR A 291 -7.817 -2.282 -2.684 1.00 0.00 C ATOM 0 H THR A 291 -11.301 -2.407 -0.933 1.00 0.00 H new ATOM 0 HA THR A 291 -9.013 -4.071 -0.831 1.00 0.00 H new ATOM 0 HB THR A 291 -9.664 -1.351 -2.092 1.00 0.00 H new ATOM 0 HG1 THR A 291 -10.037 -2.714 -3.942 1.00 0.00 H new ATOM 0 HG21 THR A 291 -7.812 -1.816 -3.669 1.00 0.00 H new ATOM 0 HG22 THR A 291 -7.212 -1.689 -1.998 1.00 0.00 H new ATOM 0 HG23 THR A 291 -7.402 -3.287 -2.756 1.00 0.00 H new ATOM 398 N TYR A 292 -8.490 -1.144 0.564 1.00 0.00 N ATOM 399 CA TYR A 292 -7.525 -0.449 1.465 1.00 0.00 C ATOM 400 C TYR A 292 -7.149 -1.364 2.632 1.00 0.00 C ATOM 401 O TYR A 292 -6.006 -1.746 2.791 1.00 0.00 O ATOM 402 CB TYR A 292 -8.274 0.788 1.966 1.00 0.00 C ATOM 403 CG TYR A 292 -7.351 1.643 2.803 1.00 0.00 C ATOM 404 CD1 TYR A 292 -5.993 1.743 2.474 1.00 0.00 C ATOM 405 CD2 TYR A 292 -7.855 2.339 3.908 1.00 0.00 C ATOM 406 CE1 TYR A 292 -5.141 2.538 3.249 1.00 0.00 C ATOM 407 CE2 TYR A 292 -7.003 3.135 4.683 1.00 0.00 C ATOM 408 CZ TYR A 292 -5.646 3.234 4.354 1.00 0.00 C ATOM 409 OH TYR A 292 -4.807 4.019 5.119 1.00 0.00 O ATOM 0 H TYR A 292 -9.326 -0.610 0.328 1.00 0.00 H new ATOM 0 HA TYR A 292 -6.597 -0.183 0.958 1.00 0.00 H new ATOM 0 HB2 TYR A 292 -8.650 1.364 1.120 1.00 0.00 H new ATOM 0 HB3 TYR A 292 -9.139 0.486 2.556 1.00 0.00 H new ATOM 0 HD1 TYR A 292 -5.603 1.206 1.622 1.00 0.00 H new ATOM 0 HD2 TYR A 292 -8.902 2.262 4.163 1.00 0.00 H new ATOM 0 HE1 TYR A 292 -4.094 2.615 2.995 1.00 0.00 H new ATOM 0 HE2 TYR A 292 -7.393 3.673 5.535 1.00 0.00 H new ATOM 0 HH TYR A 292 -5.318 4.433 5.846 1.00 0.00 H new ATOM 419 N ARG A 293 -8.102 -1.723 3.448 1.00 0.00 N ATOM 420 CA ARG A 293 -7.800 -2.616 4.600 1.00 0.00 C ATOM 421 C ARG A 293 -6.874 -3.750 4.154 1.00 0.00 C ATOM 422 O ARG A 293 -5.727 -3.821 4.550 1.00 0.00 O ATOM 423 CB ARG A 293 -9.155 -3.171 5.039 1.00 0.00 C ATOM 424 CG ARG A 293 -10.066 -2.017 5.465 1.00 0.00 C ATOM 425 CD ARG A 293 -10.239 -2.039 6.985 1.00 0.00 C ATOM 426 NE ARG A 293 -10.121 -0.614 7.405 1.00 0.00 N ATOM 427 CZ ARG A 293 -11.122 0.206 7.230 1.00 0.00 C ATOM 428 NH1 ARG A 293 -12.233 -0.218 6.689 1.00 0.00 N ATOM 429 NH2 ARG A 293 -11.013 1.453 7.597 1.00 0.00 N ATOM 0 H ARG A 293 -9.077 -1.436 3.366 1.00 0.00 H new ATOM 0 HA ARG A 293 -7.295 -2.091 5.411 1.00 0.00 H new ATOM 0 HB2 ARG A 293 -9.614 -3.728 4.222 1.00 0.00 H new ATOM 0 HB3 ARG A 293 -9.023 -3.869 5.866 1.00 0.00 H new ATOM 0 HG2 ARG A 293 -9.637 -1.066 5.151 1.00 0.00 H new ATOM 0 HG3 ARG A 293 -11.036 -2.106 4.976 1.00 0.00 H new ATOM 0 HD2 ARG A 293 -11.206 -2.455 7.267 1.00 0.00 H new ATOM 0 HD3 ARG A 293 -9.476 -2.656 7.461 1.00 0.00 H new ATOM 0 HE ARG A 293 -9.257 -0.279 7.830 1.00 0.00 H new ATOM 0 HH11 ARG A 293 -12.321 -1.193 6.402 1.00 0.00 H new ATOM 0 HH12 ARG A 293 -13.013 0.426 6.554 1.00 0.00 H new ATOM 0 HH21 ARG A 293 -10.147 1.786 8.020 1.00 0.00 H new ATOM 0 HH22 ARG A 293 -11.794 2.095 7.461 1.00 0.00 H new ATOM 443 N LYS A 294 -7.364 -4.637 3.330 1.00 0.00 N ATOM 444 CA LYS A 294 -6.517 -5.766 2.854 1.00 0.00 C ATOM 445 C LYS A 294 -5.110 -5.267 2.520 1.00 0.00 C ATOM 446 O LYS A 294 -4.147 -5.607 3.179 1.00 0.00 O ATOM 447 CB LYS A 294 -7.216 -6.282 1.596 1.00 0.00 C ATOM 448 CG LYS A 294 -6.913 -7.771 1.417 1.00 0.00 C ATOM 449 CD LYS A 294 -8.140 -8.593 1.816 1.00 0.00 C ATOM 450 CE LYS A 294 -8.682 -9.332 0.590 1.00 0.00 C ATOM 451 NZ LYS A 294 -10.153 -9.407 0.807 1.00 0.00 N ATOM 0 H LYS A 294 -8.317 -4.627 2.966 1.00 0.00 H new ATOM 0 HA LYS A 294 -6.406 -6.546 3.608 1.00 0.00 H new ATOM 0 HB2 LYS A 294 -8.292 -6.126 1.675 1.00 0.00 H new ATOM 0 HB3 LYS A 294 -6.876 -5.724 0.724 1.00 0.00 H new ATOM 0 HG2 LYS A 294 -6.646 -7.977 0.380 1.00 0.00 H new ATOM 0 HG3 LYS A 294 -6.057 -8.055 2.029 1.00 0.00 H new ATOM 0 HD2 LYS A 294 -7.874 -9.307 2.596 1.00 0.00 H new ATOM 0 HD3 LYS A 294 -8.909 -7.940 2.230 1.00 0.00 H new ATOM 0 HE2 LYS A 294 -8.445 -8.798 -0.330 1.00 0.00 H new ATOM 0 HE3 LYS A 294 -8.244 -10.326 0.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 294 -10.597 -9.901 0.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 294 -10.348 -9.927 1.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 294 -10.543 -8.445 0.879 1.00 0.00 H new ATOM 465 N LEU A 295 -4.984 -4.462 1.499 1.00 0.00 N ATOM 466 CA LEU A 295 -3.641 -3.940 1.121 1.00 0.00 C ATOM 467 C LEU A 295 -2.857 -3.540 2.373 1.00 0.00 C ATOM 468 O LEU A 295 -1.810 -4.086 2.661 1.00 0.00 O ATOM 469 CB LEU A 295 -3.923 -2.715 0.251 1.00 0.00 C ATOM 470 CG LEU A 295 -3.195 -2.859 -1.086 1.00 0.00 C ATOM 471 CD1 LEU A 295 -3.554 -4.203 -1.721 1.00 0.00 C ATOM 472 CD2 LEU A 295 -3.619 -1.725 -2.022 1.00 0.00 C ATOM 0 H LEU A 295 -5.754 -4.144 0.911 1.00 0.00 H new ATOM 0 HA LEU A 295 -3.042 -4.684 0.596 1.00 0.00 H new ATOM 0 HB2 LEU A 295 -4.995 -2.614 0.084 1.00 0.00 H new ATOM 0 HB3 LEU A 295 -3.593 -1.810 0.761 1.00 0.00 H new ATOM 0 HG LEU A 295 -2.119 -2.811 -0.920 1.00 0.00 H new ATOM 0 HD11 LEU A 295 -3.035 -4.305 -2.674 1.00 0.00 H new ATOM 0 HD12 LEU A 295 -3.253 -5.012 -1.055 1.00 0.00 H new ATOM 0 HD13 LEU A 295 -4.630 -4.251 -1.887 1.00 0.00 H new ATOM 0 HD21 LEU A 295 -3.100 -1.827 -2.975 1.00 0.00 H new ATOM 0 HD22 LEU A 295 -4.695 -1.773 -2.187 1.00 0.00 H new ATOM 0 HD23 LEU A 295 -3.364 -0.766 -1.571 1.00 0.00 H new ATOM 484 N LYS A 296 -3.356 -2.592 3.119 1.00 0.00 N ATOM 485 CA LYS A 296 -2.642 -2.158 4.352 1.00 0.00 C ATOM 486 C LYS A 296 -2.107 -3.376 5.110 1.00 0.00 C ATOM 487 O LYS A 296 -0.914 -3.548 5.266 1.00 0.00 O ATOM 488 CB LYS A 296 -3.696 -1.427 5.184 1.00 0.00 C ATOM 489 CG LYS A 296 -3.898 -0.015 4.630 1.00 0.00 C ATOM 490 CD LYS A 296 -2.895 0.939 5.282 1.00 0.00 C ATOM 491 CE LYS A 296 -3.260 1.136 6.755 1.00 0.00 C ATOM 492 NZ LYS A 296 -2.659 2.447 7.127 1.00 0.00 N ATOM 0 H LYS A 296 -4.228 -2.099 2.927 1.00 0.00 H new ATOM 0 HA LYS A 296 -1.785 -1.521 4.131 1.00 0.00 H new ATOM 0 HB2 LYS A 296 -4.637 -1.976 5.161 1.00 0.00 H new ATOM 0 HB3 LYS A 296 -3.381 -1.378 6.226 1.00 0.00 H new ATOM 0 HG2 LYS A 296 -3.765 -0.015 3.548 1.00 0.00 H new ATOM 0 HG3 LYS A 296 -4.916 0.322 4.826 1.00 0.00 H new ATOM 0 HD2 LYS A 296 -1.886 0.536 5.197 1.00 0.00 H new ATOM 0 HD3 LYS A 296 -2.900 1.898 4.764 1.00 0.00 H new ATOM 0 HE2 LYS A 296 -4.341 1.142 6.897 1.00 0.00 H new ATOM 0 HE3 LYS A 296 -2.862 0.330 7.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 296 -2.748 2.591 8.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 296 -1.653 2.456 6.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 296 -3.156 3.211 6.626 1.00 0.00 H new ATOM 506 N ALA A 297 -2.981 -4.224 5.580 1.00 0.00 N ATOM 507 CA ALA A 297 -2.525 -5.430 6.325 1.00 0.00 C ATOM 508 C ALA A 297 -1.322 -6.064 5.621 1.00 0.00 C ATOM 509 O ALA A 297 -0.244 -6.157 6.175 1.00 0.00 O ATOM 510 CB ALA A 297 -3.720 -6.383 6.306 1.00 0.00 C ATOM 0 H ALA A 297 -3.992 -4.133 5.480 1.00 0.00 H new ATOM 0 HA ALA A 297 -2.209 -5.192 7.341 1.00 0.00 H new ATOM 0 HB1 ALA A 297 -3.463 -7.299 6.837 1.00 0.00 H new ATOM 0 HB2 ALA A 297 -4.572 -5.908 6.793 1.00 0.00 H new ATOM 0 HB3 ALA A 297 -3.979 -6.622 5.274 1.00 0.00 H new ATOM 516 N LYS A 298 -1.501 -6.503 4.404 1.00 0.00 N ATOM 517 CA LYS A 298 -0.374 -7.132 3.659 1.00 0.00 C ATOM 518 C LYS A 298 0.924 -6.359 3.904 1.00 0.00 C ATOM 519 O LYS A 298 1.875 -6.881 4.450 1.00 0.00 O ATOM 520 CB LYS A 298 -0.780 -7.046 2.187 1.00 0.00 C ATOM 521 CG LYS A 298 0.209 -7.844 1.335 1.00 0.00 C ATOM 522 CD LYS A 298 -0.364 -9.234 1.055 1.00 0.00 C ATOM 523 CE LYS A 298 -1.691 -9.098 0.304 1.00 0.00 C ATOM 524 NZ LYS A 298 -1.909 -10.424 -0.337 1.00 0.00 N ATOM 0 H LYS A 298 -2.382 -6.453 3.893 1.00 0.00 H new ATOM 0 HA LYS A 298 -0.193 -8.159 3.975 1.00 0.00 H new ATOM 0 HB2 LYS A 298 -1.789 -7.437 2.054 1.00 0.00 H new ATOM 0 HB3 LYS A 298 -0.797 -6.005 1.864 1.00 0.00 H new ATOM 0 HG2 LYS A 298 0.401 -7.322 0.397 1.00 0.00 H new ATOM 0 HG3 LYS A 298 1.164 -7.930 1.853 1.00 0.00 H new ATOM 0 HD2 LYS A 298 0.342 -9.818 0.464 1.00 0.00 H new ATOM 0 HD3 LYS A 298 -0.517 -9.771 1.991 1.00 0.00 H new ATOM 0 HE2 LYS A 298 -2.506 -8.850 0.984 1.00 0.00 H new ATOM 0 HE3 LYS A 298 -1.644 -8.303 -0.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 298 -2.801 -10.409 -0.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 298 -1.121 -10.630 -0.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 298 -1.957 -11.160 0.396 1.00 0.00 H new ATOM 538 N LEU A 299 0.970 -5.118 3.503 1.00 0.00 N ATOM 539 CA LEU A 299 2.204 -4.310 3.711 1.00 0.00 C ATOM 540 C LEU A 299 2.777 -4.565 5.108 1.00 0.00 C ATOM 541 O LEU A 299 3.970 -4.713 5.282 1.00 0.00 O ATOM 542 CB LEU A 299 1.752 -2.857 3.573 1.00 0.00 C ATOM 543 CG LEU A 299 1.705 -2.477 2.092 1.00 0.00 C ATOM 544 CD1 LEU A 299 1.033 -1.113 1.935 1.00 0.00 C ATOM 545 CD2 LEU A 299 3.131 -2.409 1.540 1.00 0.00 C ATOM 0 H LEU A 299 0.205 -4.628 3.040 1.00 0.00 H new ATOM 0 HA LEU A 299 2.988 -4.563 2.998 1.00 0.00 H new ATOM 0 HB2 LEU A 299 0.769 -2.726 4.025 1.00 0.00 H new ATOM 0 HB3 LEU A 299 2.438 -2.199 4.107 1.00 0.00 H new ATOM 0 HG LEU A 299 1.136 -3.227 1.542 1.00 0.00 H new ATOM 0 HD11 LEU A 299 1.000 -0.843 0.879 1.00 0.00 H new ATOM 0 HD12 LEU A 299 0.018 -1.160 2.330 1.00 0.00 H new ATOM 0 HD13 LEU A 299 1.601 -0.362 2.484 1.00 0.00 H new ATOM 0 HD21 LEU A 299 3.100 -2.138 0.485 1.00 0.00 H new ATOM 0 HD22 LEU A 299 3.699 -1.659 2.090 1.00 0.00 H new ATOM 0 HD23 LEU A 299 3.611 -3.381 1.651 1.00 0.00 H new ATOM 557 N LYS A 300 1.935 -4.618 6.104 1.00 0.00 N ATOM 558 CA LYS A 300 2.433 -4.864 7.488 1.00 0.00 C ATOM 559 C LYS A 300 3.327 -6.107 7.513 1.00 0.00 C ATOM 560 O LYS A 300 4.410 -6.093 8.064 1.00 0.00 O ATOM 561 CB LYS A 300 1.176 -5.090 8.328 1.00 0.00 C ATOM 562 CG LYS A 300 1.267 -4.267 9.614 1.00 0.00 C ATOM 563 CD LYS A 300 -0.131 -4.092 10.210 1.00 0.00 C ATOM 564 CE LYS A 300 -0.111 -4.492 11.687 1.00 0.00 C ATOM 565 NZ LYS A 300 -1.465 -5.056 11.950 1.00 0.00 N ATOM 0 H LYS A 300 0.925 -4.502 6.020 1.00 0.00 H new ATOM 0 HA LYS A 300 3.031 -4.035 7.866 1.00 0.00 H new ATOM 0 HB2 LYS A 300 0.290 -4.802 7.761 1.00 0.00 H new ATOM 0 HB3 LYS A 300 1.071 -6.148 8.567 1.00 0.00 H new ATOM 0 HG2 LYS A 300 1.920 -4.765 10.331 1.00 0.00 H new ATOM 0 HG3 LYS A 300 1.709 -3.293 9.404 1.00 0.00 H new ATOM 0 HD2 LYS A 300 -0.454 -3.056 10.107 1.00 0.00 H new ATOM 0 HD3 LYS A 300 -0.849 -4.706 9.666 1.00 0.00 H new ATOM 0 HE2 LYS A 300 0.669 -5.227 11.887 1.00 0.00 H new ATOM 0 HE3 LYS A 300 0.090 -3.632 12.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 300 -1.530 -5.354 12.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 300 -2.186 -4.332 11.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 300 -1.625 -5.877 11.332 1.00 0.00 H new ATOM 579 N GLY A 301 2.883 -7.180 6.919 1.00 0.00 N ATOM 580 CA GLY A 301 3.708 -8.421 6.907 1.00 0.00 C ATOM 581 C GLY A 301 4.390 -8.566 5.546 1.00 0.00 C ATOM 582 O GLY A 301 4.575 -9.658 5.047 1.00 0.00 O ATOM 0 H GLY A 301 1.985 -7.251 6.441 1.00 0.00 H new ATOM 0 HA2 GLY A 301 4.456 -8.381 7.698 1.00 0.00 H new ATOM 0 HA3 GLY A 301 3.080 -9.290 7.106 1.00 0.00 H new ATOM 586 N ILE A 302 4.763 -7.471 4.940 1.00 0.00 N ATOM 587 CA ILE A 302 5.432 -7.545 3.610 1.00 0.00 C ATOM 588 C ILE A 302 6.880 -8.016 3.770 1.00 0.00 C ATOM 589 O ILE A 302 7.560 -8.302 2.804 1.00 0.00 O ATOM 590 CB ILE A 302 5.390 -6.117 3.066 1.00 0.00 C ATOM 591 CG1 ILE A 302 5.810 -6.120 1.594 1.00 0.00 C ATOM 592 CG2 ILE A 302 6.351 -5.237 3.867 1.00 0.00 C ATOM 593 CD1 ILE A 302 4.589 -5.844 0.714 1.00 0.00 C ATOM 0 H ILE A 302 4.633 -6.529 5.309 1.00 0.00 H new ATOM 0 HA ILE A 302 4.941 -8.251 2.940 1.00 0.00 H new ATOM 0 HB ILE A 302 4.377 -5.724 3.155 1.00 0.00 H new ATOM 0 HG12 ILE A 302 6.575 -5.362 1.421 1.00 0.00 H new ATOM 0 HG13 ILE A 302 6.250 -7.082 1.332 1.00 0.00 H new ATOM 0 HG21 ILE A 302 6.321 -4.219 3.479 1.00 0.00 H new ATOM 0 HG22 ILE A 302 6.054 -5.235 4.916 1.00 0.00 H new ATOM 0 HG23 ILE A 302 7.364 -5.630 3.778 1.00 0.00 H new ATOM 0 HD11 ILE A 302 4.888 -5.846 -0.334 1.00 0.00 H new ATOM 0 HD12 ILE A 302 3.839 -6.618 0.879 1.00 0.00 H new ATOM 0 HD13 ILE A 302 4.169 -4.871 0.969 1.00 0.00 H new ATOM 605 N ARG A 303 7.358 -8.098 4.981 1.00 0.00 N ATOM 606 CA ARG A 303 8.761 -8.551 5.200 1.00 0.00 C ATOM 607 C ARG A 303 9.007 -8.814 6.687 1.00 0.00 C ATOM 608 O ARG A 303 9.734 -8.044 7.293 1.00 0.00 O ATOM 609 CB ARG A 303 9.631 -7.393 4.709 1.00 0.00 C ATOM 610 CG ARG A 303 10.851 -7.947 3.970 1.00 0.00 C ATOM 611 CD ARG A 303 12.112 -7.229 4.458 1.00 0.00 C ATOM 612 NE ARG A 303 12.403 -6.210 3.411 1.00 0.00 N ATOM 613 CZ ARG A 303 13.276 -5.266 3.640 1.00 0.00 C ATOM 614 NH1 ARG A 303 13.900 -5.211 4.786 1.00 0.00 N ATOM 615 NH2 ARG A 303 13.527 -4.375 2.720 1.00 0.00 N ATOM 616 OXT ARG A 303 8.463 -9.781 7.195 1.00 0.00 O ATOM 0 H ARG A 303 6.838 -7.871 5.829 1.00 0.00 H new ATOM 0 HA ARG A 303 8.982 -9.480 4.674 1.00 0.00 H new ATOM 0 HB2 ARG A 303 9.055 -6.747 4.047 1.00 0.00 H new ATOM 0 HB3 ARG A 303 9.951 -6.781 5.553 1.00 0.00 H new ATOM 0 HG2 ARG A 303 10.939 -9.019 4.145 1.00 0.00 H new ATOM 0 HG3 ARG A 303 10.733 -7.808 2.895 1.00 0.00 H new ATOM 0 HD2 ARG A 303 11.950 -6.762 5.429 1.00 0.00 H new ATOM 0 HD3 ARG A 303 12.943 -7.925 4.574 1.00 0.00 H new ATOM 0 HE ARG A 303 11.920 -6.250 2.514 1.00 0.00 H new ATOM 0 HH11 ARG A 303 13.706 -5.907 5.506 1.00 0.00 H new ATOM 0 HH12 ARG A 303 14.581 -4.472 4.961 1.00 0.00 H new ATOM 0 HH21 ARG A 303 13.042 -4.417 1.824 1.00 0.00 H new ATOM 0 HH22 ARG A 303 14.208 -3.637 2.897 1.00 0.00 H new TER 630 ARG A 303