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= 0.26 USER MOD Set 1.2: A 296 LYS NZ :NH3+ -157:sc= 0.263 (180deg=-0.019) USER MOD Single : A 265 THR OG1 : rot -47:sc= 0.316 USER MOD Single : A 269 SER OG : rot -101:sc= -0.485 USER MOD Single : A 272 ASN : amide:sc= -0.39 X(o=-0.39,f=-0.68) USER MOD Single : A 273 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 278 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 279 GLN : amide:sc= -0.204 K(o=-0.2,f=-1.2!) USER MOD Single : A 280 MET CE :methyl -167:sc= -0.105 (180deg=-0.578) USER MOD Single : A 285 SER OG : rot -62:sc= 1.09 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+ 165:sc= 0 (180deg=-0.116) 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 -14.049 3.989 -15.890 1.00 0.00 N ATOM 2 CA ILE A 264 -13.895 2.505 -15.893 1.00 0.00 C ATOM 3 C ILE A 264 -14.747 1.883 -14.783 1.00 0.00 C ATOM 4 O ILE A 264 -14.883 2.433 -13.708 1.00 0.00 O ATOM 5 CB ILE A 264 -12.409 2.260 -15.631 1.00 0.00 C ATOM 6 CG1 ILE A 264 -12.009 2.913 -14.306 1.00 0.00 C ATOM 7 CG2 ILE A 264 -11.583 2.869 -16.766 1.00 0.00 C ATOM 8 CD1 ILE A 264 -10.783 2.198 -13.735 1.00 0.00 C ATOM 0 HA ILE A 264 -14.222 2.058 -16.832 1.00 0.00 H new ATOM 0 HB ILE A 264 -12.223 1.187 -15.579 1.00 0.00 H new ATOM 0 HG12 ILE A 264 -11.788 3.969 -14.461 1.00 0.00 H new ATOM 0 HG13 ILE A 264 -12.836 2.861 -13.598 1.00 0.00 H new ATOM 0 HG21 ILE A 264 -10.523 2.694 -16.579 1.00 0.00 H new ATOM 0 HG22 ILE A 264 -11.866 2.406 -17.711 1.00 0.00 H new ATOM 0 HG23 ILE A 264 -11.770 3.942 -16.817 1.00 0.00 H new ATOM 0 HD11 ILE A 264 -10.498 2.663 -12.791 1.00 0.00 H new ATOM 0 HD12 ILE A 264 -11.021 1.148 -13.565 1.00 0.00 H new ATOM 0 HD13 ILE A 264 -9.956 2.273 -14.441 1.00 0.00 H new ATOM 22 N THR A 265 -15.324 0.739 -15.035 1.00 0.00 N ATOM 23 CA THR A 265 -16.166 0.084 -13.997 1.00 0.00 C ATOM 24 C THR A 265 -15.328 -0.904 -13.181 1.00 0.00 C ATOM 25 O THR A 265 -15.852 -1.767 -12.504 1.00 0.00 O ATOM 26 CB THR A 265 -17.258 -0.652 -14.775 1.00 0.00 C ATOM 27 OG1 THR A 265 -18.264 -1.093 -13.874 1.00 0.00 O ATOM 28 CG2 THR A 265 -16.652 -1.858 -15.495 1.00 0.00 C ATOM 0 H THR A 265 -15.248 0.231 -15.916 1.00 0.00 H new ATOM 0 HA THR A 265 -16.584 0.803 -13.292 1.00 0.00 H new ATOM 0 HB THR A 265 -17.697 0.023 -15.510 1.00 0.00 H new ATOM 0 HG1 THR A 265 -17.844 -1.527 -13.102 1.00 0.00 H new ATOM 0 HG21 THR A 265 -17.432 -2.381 -16.049 1.00 0.00 H new ATOM 0 HG22 THR A 265 -15.881 -1.519 -16.187 1.00 0.00 H new ATOM 0 HG23 THR A 265 -16.211 -2.535 -14.763 1.00 0.00 H new ATOM 36 N GLY A 266 -14.030 -0.784 -13.240 1.00 0.00 N ATOM 37 CA GLY A 266 -13.160 -1.716 -12.469 1.00 0.00 C ATOM 38 C GLY A 266 -13.065 -1.243 -11.017 1.00 0.00 C ATOM 39 O GLY A 266 -13.832 -0.411 -10.574 1.00 0.00 O ATOM 0 H GLY A 266 -13.535 -0.081 -13.789 1.00 0.00 H new ATOM 0 HA2 GLY A 266 -13.567 -2.726 -12.507 1.00 0.00 H new ATOM 0 HA3 GLY A 266 -12.166 -1.756 -12.915 1.00 0.00 H new ATOM 43 N ASP A 267 -12.130 -1.766 -10.273 1.00 0.00 N ATOM 44 CA ASP A 267 -11.986 -1.346 -8.850 1.00 0.00 C ATOM 45 C ASP A 267 -11.509 0.107 -8.775 1.00 0.00 C ATOM 46 O ASP A 267 -10.455 0.452 -9.272 1.00 0.00 O ATOM 47 CB ASP A 267 -10.935 -2.290 -8.266 1.00 0.00 C ATOM 48 CG ASP A 267 -11.619 -3.329 -7.376 1.00 0.00 C ATOM 49 OD1 ASP A 267 -12.785 -3.143 -7.069 1.00 0.00 O ATOM 50 OD2 ASP A 267 -10.965 -4.294 -7.016 1.00 0.00 O ATOM 0 H ASP A 267 -11.459 -2.466 -10.589 1.00 0.00 H new ATOM 0 HA ASP A 267 -12.928 -1.398 -8.304 1.00 0.00 H new ATOM 0 HB2 ASP A 267 -10.390 -2.786 -9.069 1.00 0.00 H new ATOM 0 HB3 ASP A 267 -10.205 -1.725 -7.687 1.00 0.00 H new ATOM 55 N VAL A 268 -12.279 0.962 -8.159 1.00 0.00 N ATOM 56 CA VAL A 268 -11.873 2.393 -8.053 1.00 0.00 C ATOM 57 C VAL A 268 -10.729 2.549 -7.047 1.00 0.00 C ATOM 58 O VAL A 268 -10.283 1.591 -6.448 1.00 0.00 O ATOM 59 CB VAL A 268 -13.124 3.121 -7.562 1.00 0.00 C ATOM 60 CG1 VAL A 268 -13.355 2.801 -6.084 1.00 0.00 C ATOM 61 CG2 VAL A 268 -12.936 4.630 -7.733 1.00 0.00 C ATOM 0 H VAL A 268 -13.172 0.732 -7.724 1.00 0.00 H new ATOM 0 HA VAL A 268 -11.514 2.792 -9.002 1.00 0.00 H new ATOM 0 HB VAL A 268 -13.986 2.793 -8.143 1.00 0.00 H new ATOM 0 HG11 VAL A 268 -14.247 3.320 -5.734 1.00 0.00 H new ATOM 0 HG12 VAL A 268 -13.489 1.726 -5.961 1.00 0.00 H new ATOM 0 HG13 VAL A 268 -12.493 3.128 -5.502 1.00 0.00 H new ATOM 0 HG21 VAL A 268 -13.828 5.150 -7.383 1.00 0.00 H new ATOM 0 HG22 VAL A 268 -12.074 4.957 -7.152 1.00 0.00 H new ATOM 0 HG23 VAL A 268 -12.772 4.859 -8.786 1.00 0.00 H new ATOM 71 N SER A 269 -10.253 3.750 -6.858 1.00 0.00 N ATOM 72 CA SER A 269 -9.140 3.966 -5.889 1.00 0.00 C ATOM 73 C SER A 269 -9.391 3.156 -4.616 1.00 0.00 C ATOM 74 O SER A 269 -8.493 2.547 -4.068 1.00 0.00 O ATOM 75 CB SER A 269 -9.162 5.463 -5.587 1.00 0.00 C ATOM 76 OG SER A 269 -10.463 5.975 -5.844 1.00 0.00 O ATOM 0 H SER A 269 -10.586 4.590 -7.332 1.00 0.00 H new ATOM 0 HA SER A 269 -8.176 3.647 -6.285 1.00 0.00 H new ATOM 0 HB2 SER A 269 -8.888 5.640 -4.547 1.00 0.00 H new ATOM 0 HB3 SER A 269 -8.427 5.981 -6.203 1.00 0.00 H new ATOM 0 HG SER A 269 -10.469 6.432 -6.711 1.00 0.00 H new ATOM 82 N ALA A 270 -10.606 3.142 -4.141 1.00 0.00 N ATOM 83 CA ALA A 270 -10.914 2.369 -2.908 1.00 0.00 C ATOM 84 C ALA A 270 -10.224 1.004 -2.961 1.00 0.00 C ATOM 85 O ALA A 270 -9.382 0.690 -2.144 1.00 0.00 O ATOM 86 CB ALA A 270 -12.434 2.202 -2.914 1.00 0.00 C ATOM 0 H ALA A 270 -11.398 3.633 -4.555 1.00 0.00 H new ATOM 0 HA ALA A 270 -10.564 2.870 -2.005 1.00 0.00 H new ATOM 0 HB1 ALA A 270 -12.742 1.640 -2.033 1.00 0.00 H new ATOM 0 HB2 ALA A 270 -12.908 3.184 -2.902 1.00 0.00 H new ATOM 0 HB3 ALA A 270 -12.737 1.664 -3.812 1.00 0.00 H new ATOM 92 N ALA A 271 -10.576 0.192 -3.920 1.00 0.00 N ATOM 93 CA ALA A 271 -9.947 -1.149 -4.031 1.00 0.00 C ATOM 94 C ALA A 271 -8.435 -1.012 -4.228 1.00 0.00 C ATOM 95 O ALA A 271 -7.657 -1.785 -3.705 1.00 0.00 O ATOM 96 CB ALA A 271 -10.593 -1.789 -5.259 1.00 0.00 C ATOM 0 H ALA A 271 -11.275 0.403 -4.633 1.00 0.00 H new ATOM 0 HA ALA A 271 -10.095 -1.749 -3.133 1.00 0.00 H new ATOM 0 HB1 ALA A 271 -10.180 -2.786 -5.409 1.00 0.00 H new ATOM 0 HB2 ALA A 271 -11.670 -1.862 -5.107 1.00 0.00 H new ATOM 0 HB3 ALA A 271 -10.391 -1.176 -6.137 1.00 0.00 H new ATOM 102 N ASN A 272 -8.012 -0.033 -4.982 1.00 0.00 N ATOM 103 CA ASN A 272 -6.550 0.151 -5.215 1.00 0.00 C ATOM 104 C ASN A 272 -5.808 0.246 -3.879 1.00 0.00 C ATOM 105 O ASN A 272 -4.909 -0.523 -3.603 1.00 0.00 O ATOM 106 CB ASN A 272 -6.433 1.466 -5.989 1.00 0.00 C ATOM 107 CG ASN A 272 -6.524 1.185 -7.490 1.00 0.00 C ATOM 108 OD1 ASN A 272 -7.283 1.822 -8.194 1.00 0.00 O ATOM 109 ND2 ASN A 272 -5.777 0.252 -8.013 1.00 0.00 N ATOM 0 H ASN A 272 -8.615 0.647 -5.446 1.00 0.00 H new ATOM 0 HA ASN A 272 -6.112 -0.684 -5.762 1.00 0.00 H new ATOM 0 HB2 ASN A 272 -7.227 2.149 -5.688 1.00 0.00 H new ATOM 0 HB3 ASN A 272 -5.487 1.954 -5.756 1.00 0.00 H new ATOM 0 HD21 ASN A 272 -5.830 0.057 -9.013 1.00 0.00 H new ATOM 0 HD22 ASN A 272 -5.140 -0.282 -7.422 1.00 0.00 H new ATOM 116 N LYS A 273 -6.175 1.184 -3.049 1.00 0.00 N ATOM 117 CA LYS A 273 -5.490 1.327 -1.734 1.00 0.00 C ATOM 118 C LYS A 273 -5.266 -0.050 -1.103 1.00 0.00 C ATOM 119 O LYS A 273 -4.155 -0.535 -1.026 1.00 0.00 O ATOM 120 CB LYS A 273 -6.442 2.162 -0.879 1.00 0.00 C ATOM 121 CG LYS A 273 -5.680 3.342 -0.269 1.00 0.00 C ATOM 122 CD LYS A 273 -6.611 4.552 -0.164 1.00 0.00 C ATOM 123 CE LYS A 273 -6.018 5.723 -0.952 1.00 0.00 C ATOM 124 NZ LYS A 273 -5.880 6.825 0.042 1.00 0.00 N ATOM 0 H LYS A 273 -6.920 1.858 -3.225 1.00 0.00 H new ATOM 0 HA LYS A 273 -4.511 1.796 -1.827 1.00 0.00 H new ATOM 0 HB2 LYS A 273 -7.270 2.526 -1.488 1.00 0.00 H new ATOM 0 HB3 LYS A 273 -6.873 1.547 -0.089 1.00 0.00 H new ATOM 0 HG2 LYS A 273 -5.302 3.074 0.718 1.00 0.00 H new ATOM 0 HG3 LYS A 273 -4.815 3.588 -0.885 1.00 0.00 H new ATOM 0 HD2 LYS A 273 -7.597 4.300 -0.554 1.00 0.00 H new ATOM 0 HD3 LYS A 273 -6.743 4.833 0.881 1.00 0.00 H new ATOM 0 HE2 LYS A 273 -5.053 5.459 -1.385 1.00 0.00 H new ATOM 0 HE3 LYS A 273 -6.669 6.014 -1.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 273 -5.479 7.664 -0.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 273 -6.815 7.059 0.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 273 -5.250 6.522 0.811 1.00 0.00 H new ATOM 138 N ASP A 274 -6.314 -0.682 -0.651 1.00 0.00 N ATOM 139 CA ASP A 274 -6.165 -2.025 -0.026 1.00 0.00 C ATOM 140 C ASP A 274 -5.192 -2.882 -0.840 1.00 0.00 C ATOM 141 O ASP A 274 -4.311 -3.521 -0.302 1.00 0.00 O ATOM 142 CB ASP A 274 -7.567 -2.632 -0.054 1.00 0.00 C ATOM 143 CG ASP A 274 -7.770 -3.508 1.184 1.00 0.00 C ATOM 144 OD1 ASP A 274 -7.429 -3.059 2.266 1.00 0.00 O ATOM 145 OD2 ASP A 274 -8.263 -4.613 1.028 1.00 0.00 O ATOM 0 H ASP A 274 -7.269 -0.325 -0.688 1.00 0.00 H new ATOM 0 HA ASP A 274 -5.766 -1.968 0.987 1.00 0.00 H new ATOM 0 HB2 ASP A 274 -8.317 -1.841 -0.080 1.00 0.00 H new ATOM 0 HB3 ASP A 274 -7.699 -3.226 -0.958 1.00 0.00 H new ATOM 150 N ALA A 275 -5.346 -2.902 -2.135 1.00 0.00 N ATOM 151 CA ALA A 275 -4.433 -3.718 -2.981 1.00 0.00 C ATOM 152 C ALA A 275 -2.977 -3.491 -2.564 1.00 0.00 C ATOM 153 O ALA A 275 -2.342 -4.356 -1.993 1.00 0.00 O ATOM 154 CB ALA A 275 -4.668 -3.224 -4.410 1.00 0.00 C ATOM 0 H ALA A 275 -6.065 -2.388 -2.644 1.00 0.00 H new ATOM 0 HA ALA A 275 -4.626 -4.786 -2.883 1.00 0.00 H new ATOM 0 HB1 ALA A 275 -4.029 -3.779 -5.097 1.00 0.00 H new ATOM 0 HB2 ALA A 275 -5.712 -3.379 -4.681 1.00 0.00 H new ATOM 0 HB3 ALA A 275 -4.431 -2.162 -4.472 1.00 0.00 H new ATOM 160 N ILE A 276 -2.441 -2.336 -2.849 1.00 0.00 N ATOM 161 CA ILE A 276 -1.029 -2.054 -2.478 1.00 0.00 C ATOM 162 C ILE A 276 -0.802 -2.304 -0.984 1.00 0.00 C ATOM 163 O ILE A 276 0.201 -2.865 -0.587 1.00 0.00 O ATOM 164 CB ILE A 276 -0.819 -0.577 -2.810 1.00 0.00 C ATOM 165 CG1 ILE A 276 -1.144 -0.335 -4.286 1.00 0.00 C ATOM 166 CG2 ILE A 276 0.637 -0.196 -2.542 1.00 0.00 C ATOM 167 CD1 ILE A 276 -1.879 0.998 -4.434 1.00 0.00 C ATOM 0 H ILE A 276 -2.924 -1.574 -3.325 1.00 0.00 H new ATOM 0 HA ILE A 276 -0.331 -2.699 -3.012 1.00 0.00 H new ATOM 0 HB ILE A 276 -1.475 0.032 -2.188 1.00 0.00 H new ATOM 0 HG12 ILE A 276 -0.227 -0.324 -4.874 1.00 0.00 H new ATOM 0 HG13 ILE A 276 -1.760 -1.147 -4.672 1.00 0.00 H new ATOM 0 HG21 ILE A 276 0.787 0.857 -2.779 1.00 0.00 H new ATOM 0 HG22 ILE A 276 0.871 -0.369 -1.491 1.00 0.00 H new ATOM 0 HG23 ILE A 276 1.293 -0.805 -3.164 1.00 0.00 H new ATOM 0 HD11 ILE A 276 -2.111 1.171 -5.485 1.00 0.00 H new ATOM 0 HD12 ILE A 276 -2.804 0.969 -3.858 1.00 0.00 H new ATOM 0 HD13 ILE A 276 -1.247 1.805 -4.064 1.00 0.00 H new ATOM 179 N ARG A 277 -1.721 -1.890 -0.152 1.00 0.00 N ATOM 180 CA ARG A 277 -1.550 -2.103 1.315 1.00 0.00 C ATOM 181 C ARG A 277 -0.996 -3.504 1.586 1.00 0.00 C ATOM 182 O ARG A 277 0.055 -3.661 2.173 1.00 0.00 O ATOM 183 CB ARG A 277 -2.952 -1.952 1.908 1.00 0.00 C ATOM 184 CG ARG A 277 -3.493 -0.557 1.589 1.00 0.00 C ATOM 185 CD ARG A 277 -3.530 0.281 2.869 1.00 0.00 C ATOM 186 NE ARG A 277 -4.824 -0.066 3.520 1.00 0.00 N ATOM 187 CZ ARG A 277 -4.999 0.160 4.795 1.00 0.00 C ATOM 188 NH1 ARG A 277 -4.041 0.691 5.505 1.00 0.00 N ATOM 189 NH2 ARG A 277 -6.135 -0.146 5.360 1.00 0.00 N ATOM 0 H ARG A 277 -2.581 -1.414 -0.424 1.00 0.00 H new ATOM 0 HA ARG A 277 -0.847 -1.395 1.754 1.00 0.00 H new ATOM 0 HB2 ARG A 277 -3.616 -2.714 1.498 1.00 0.00 H new ATOM 0 HB3 ARG A 277 -2.920 -2.104 2.987 1.00 0.00 H new ATOM 0 HG2 ARG A 277 -2.863 -0.073 0.843 1.00 0.00 H new ATOM 0 HG3 ARG A 277 -4.493 -0.632 1.162 1.00 0.00 H new ATOM 0 HD2 ARG A 277 -2.686 0.047 3.518 1.00 0.00 H new ATOM 0 HD3 ARG A 277 -3.474 1.346 2.645 1.00 0.00 H new ATOM 0 HE ARG A 277 -5.575 -0.481 2.969 1.00 0.00 H new ATOM 0 HH11 ARG A 277 -3.153 0.931 5.065 1.00 0.00 H new ATOM 0 HH12 ARG A 277 -4.181 0.866 6.500 1.00 0.00 H new ATOM 0 HH21 ARG A 277 -6.885 -0.561 4.806 1.00 0.00 H new ATOM 0 HH22 ARG A 277 -6.273 0.030 6.355 1.00 0.00 H new ATOM 203 N LYS A 278 -1.690 -4.524 1.158 1.00 0.00 N ATOM 204 CA LYS A 278 -1.192 -5.907 1.389 1.00 0.00 C ATOM 205 C LYS A 278 0.307 -5.974 1.093 1.00 0.00 C ATOM 206 O LYS A 278 1.107 -6.285 1.953 1.00 0.00 O ATOM 207 CB LYS A 278 -1.974 -6.781 0.408 1.00 0.00 C ATOM 208 CG LYS A 278 -3.322 -7.160 1.025 1.00 0.00 C ATOM 209 CD LYS A 278 -3.227 -8.558 1.639 1.00 0.00 C ATOM 210 CE LYS A 278 -4.614 -9.006 2.106 1.00 0.00 C ATOM 211 NZ LYS A 278 -4.447 -9.328 3.551 1.00 0.00 N ATOM 0 H LYS A 278 -2.578 -4.458 0.660 1.00 0.00 H new ATOM 0 HA LYS A 278 -1.331 -6.234 2.419 1.00 0.00 H new ATOM 0 HB2 LYS A 278 -2.128 -6.246 -0.529 1.00 0.00 H new ATOM 0 HB3 LYS A 278 -1.405 -7.680 0.172 1.00 0.00 H new ATOM 0 HG2 LYS A 278 -3.601 -6.434 1.789 1.00 0.00 H new ATOM 0 HG3 LYS A 278 -4.102 -7.138 0.264 1.00 0.00 H new ATOM 0 HD2 LYS A 278 -2.833 -9.262 0.906 1.00 0.00 H new ATOM 0 HD3 LYS A 278 -2.533 -8.551 2.480 1.00 0.00 H new ATOM 0 HE2 LYS A 278 -5.353 -8.219 1.960 1.00 0.00 H new ATOM 0 HE3 LYS A 278 -4.958 -9.875 1.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 278 -5.357 -9.644 3.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 278 -3.742 -10.085 3.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 278 -4.125 -8.480 4.061 1.00 0.00 H new ATOM 225 N GLN A 279 0.695 -5.677 -0.118 1.00 0.00 N ATOM 226 CA GLN A 279 2.140 -5.715 -0.466 1.00 0.00 C ATOM 227 C GLN A 279 2.961 -5.049 0.641 1.00 0.00 C ATOM 228 O GLN A 279 3.927 -5.601 1.130 1.00 0.00 O ATOM 229 CB GLN A 279 2.255 -4.923 -1.770 1.00 0.00 C ATOM 230 CG GLN A 279 2.511 -5.885 -2.931 1.00 0.00 C ATOM 231 CD GLN A 279 3.907 -5.633 -3.503 1.00 0.00 C ATOM 232 OE1 GLN A 279 4.367 -4.509 -3.542 1.00 0.00 O ATOM 233 NE2 GLN A 279 4.607 -6.640 -3.950 1.00 0.00 N ATOM 0 H GLN A 279 0.072 -5.410 -0.880 1.00 0.00 H new ATOM 0 HA GLN A 279 2.515 -6.733 -0.575 1.00 0.00 H new ATOM 0 HB2 GLN A 279 1.339 -4.358 -1.947 1.00 0.00 H new ATOM 0 HB3 GLN A 279 3.067 -4.199 -1.698 1.00 0.00 H new ATOM 0 HG2 GLN A 279 2.427 -6.916 -2.588 1.00 0.00 H new ATOM 0 HG3 GLN A 279 1.758 -5.745 -3.706 1.00 0.00 H new ATOM 0 HE21 GLN A 279 4.221 -7.584 -3.917 1.00 0.00 H new ATOM 0 HE22 GLN A 279 5.540 -6.483 -4.332 1.00 0.00 H new ATOM 242 N MET A 280 2.578 -3.867 1.044 1.00 0.00 N ATOM 243 CA MET A 280 3.330 -3.166 2.123 1.00 0.00 C ATOM 244 C MET A 280 3.434 -4.066 3.356 1.00 0.00 C ATOM 245 O MET A 280 4.512 -4.373 3.822 1.00 0.00 O ATOM 246 CB MET A 280 2.501 -1.920 2.440 1.00 0.00 C ATOM 247 CG MET A 280 3.002 -0.744 1.601 1.00 0.00 C ATOM 248 SD MET A 280 2.791 0.791 2.536 1.00 0.00 S ATOM 249 CE MET A 280 1.001 0.670 2.773 1.00 0.00 C ATOM 0 H MET A 280 1.777 -3.357 0.672 1.00 0.00 H new ATOM 0 HA MET A 280 4.347 -2.912 1.823 1.00 0.00 H new ATOM 0 HB2 MET A 280 1.448 -2.108 2.229 1.00 0.00 H new ATOM 0 HB3 MET A 280 2.576 -1.681 3.501 1.00 0.00 H new ATOM 0 HG2 MET A 280 4.052 -0.886 1.345 1.00 0.00 H new ATOM 0 HG3 MET A 280 2.450 -0.691 0.663 1.00 0.00 H new ATOM 0 HE1 MET A 280 0.616 1.626 3.128 1.00 0.00 H new ATOM 0 HE2 MET A 280 0.525 0.416 1.826 1.00 0.00 H new ATOM 0 HE3 MET A 280 0.783 -0.105 3.508 1.00 0.00 H new ATOM 259 N ASP A 281 2.319 -4.494 3.884 1.00 0.00 N ATOM 260 CA ASP A 281 2.351 -5.378 5.083 1.00 0.00 C ATOM 261 C ASP A 281 3.447 -6.433 4.925 1.00 0.00 C ATOM 262 O ASP A 281 4.325 -6.563 5.754 1.00 0.00 O ATOM 263 CB ASP A 281 0.973 -6.039 5.124 1.00 0.00 C ATOM 264 CG ASP A 281 0.588 -6.331 6.575 1.00 0.00 C ATOM 265 OD1 ASP A 281 1.261 -7.137 7.196 1.00 0.00 O ATOM 266 OD2 ASP A 281 -0.374 -5.742 7.042 1.00 0.00 O ATOM 0 H ASP A 281 1.387 -4.269 3.536 1.00 0.00 H new ATOM 0 HA ASP A 281 2.565 -4.828 5.999 1.00 0.00 H new ATOM 0 HB2 ASP A 281 0.231 -5.386 4.665 1.00 0.00 H new ATOM 0 HB3 ASP A 281 0.985 -6.964 4.547 1.00 0.00 H new ATOM 271 N ALA A 282 3.400 -7.191 3.865 1.00 0.00 N ATOM 272 CA ALA A 282 4.434 -8.237 3.651 1.00 0.00 C ATOM 273 C ALA A 282 5.837 -7.634 3.768 1.00 0.00 C ATOM 274 O ALA A 282 6.555 -7.888 4.714 1.00 0.00 O ATOM 275 CB ALA A 282 4.188 -8.752 2.232 1.00 0.00 C ATOM 0 H ALA A 282 2.688 -7.130 3.137 1.00 0.00 H new ATOM 0 HA ALA A 282 4.372 -9.034 4.392 1.00 0.00 H new ATOM 0 HB1 ALA A 282 4.914 -9.530 1.997 1.00 0.00 H new ATOM 0 HB2 ALA A 282 3.181 -9.162 2.163 1.00 0.00 H new ATOM 0 HB3 ALA A 282 4.294 -7.931 1.523 1.00 0.00 H new ATOM 281 N ALA A 283 6.233 -6.838 2.812 1.00 0.00 N ATOM 282 CA ALA A 283 7.592 -6.222 2.865 1.00 0.00 C ATOM 283 C ALA A 283 7.752 -5.372 4.128 1.00 0.00 C ATOM 284 O ALA A 283 8.845 -4.976 4.484 1.00 0.00 O ATOM 285 CB ALA A 283 7.674 -5.344 1.616 1.00 0.00 C ATOM 0 H ALA A 283 5.675 -6.587 1.996 1.00 0.00 H new ATOM 0 HA ALA A 283 8.381 -6.974 2.894 1.00 0.00 H new ATOM 0 HB1 ALA A 283 8.647 -4.853 1.580 1.00 0.00 H new ATOM 0 HB2 ALA A 283 7.546 -5.962 0.728 1.00 0.00 H new ATOM 0 HB3 ALA A 283 6.888 -4.590 1.649 1.00 0.00 H new ATOM 291 N ALA A 284 6.677 -5.082 4.807 1.00 0.00 N ATOM 292 CA ALA A 284 6.778 -4.251 6.042 1.00 0.00 C ATOM 293 C ALA A 284 7.302 -5.091 7.211 1.00 0.00 C ATOM 294 O ALA A 284 8.454 -5.000 7.586 1.00 0.00 O ATOM 295 CB ALA A 284 5.353 -3.772 6.319 1.00 0.00 C ATOM 0 H ALA A 284 5.734 -5.383 4.562 1.00 0.00 H new ATOM 0 HA ALA A 284 7.470 -3.418 5.919 1.00 0.00 H new ATOM 0 HB1 ALA A 284 5.345 -3.152 7.216 1.00 0.00 H new ATOM 0 HB2 ALA A 284 4.994 -3.188 5.471 1.00 0.00 H new ATOM 0 HB3 ALA A 284 4.702 -4.634 6.468 1.00 0.00 H new ATOM 301 N SER A 285 6.463 -5.902 7.794 1.00 0.00 N ATOM 302 CA SER A 285 6.912 -6.740 8.942 1.00 0.00 C ATOM 303 C SER A 285 7.559 -8.035 8.442 1.00 0.00 C ATOM 304 O SER A 285 7.302 -9.105 8.957 1.00 0.00 O ATOM 305 CB SER A 285 5.638 -7.047 9.728 1.00 0.00 C ATOM 306 OG SER A 285 5.870 -8.162 10.580 1.00 0.00 O ATOM 0 H SER A 285 5.486 -6.021 7.525 1.00 0.00 H new ATOM 0 HA SER A 285 7.659 -6.232 9.552 1.00 0.00 H new ATOM 0 HB2 SER A 285 5.342 -6.179 10.318 1.00 0.00 H new ATOM 0 HB3 SER A 285 4.817 -7.262 9.044 1.00 0.00 H new ATOM 0 HG SER A 285 6.080 -8.950 10.037 1.00 0.00 H new ATOM 312 N LYS A 286 8.398 -7.948 7.446 1.00 0.00 N ATOM 313 CA LYS A 286 9.057 -9.175 6.922 1.00 0.00 C ATOM 314 C LYS A 286 10.576 -8.994 6.897 1.00 0.00 C ATOM 315 O LYS A 286 11.318 -9.921 6.636 1.00 0.00 O ATOM 316 CB LYS A 286 8.515 -9.345 5.503 1.00 0.00 C ATOM 317 CG LYS A 286 9.335 -10.407 4.767 1.00 0.00 C ATOM 318 CD LYS A 286 8.427 -11.180 3.809 1.00 0.00 C ATOM 319 CE LYS A 286 8.683 -12.681 3.961 1.00 0.00 C ATOM 320 NZ LYS A 286 7.356 -13.321 3.742 1.00 0.00 N ATOM 0 H LYS A 286 8.655 -7.081 6.974 1.00 0.00 H new ATOM 0 HA LYS A 286 8.852 -10.047 7.543 1.00 0.00 H new ATOM 0 HB2 LYS A 286 7.466 -9.639 5.536 1.00 0.00 H new ATOM 0 HB3 LYS A 286 8.564 -8.397 4.968 1.00 0.00 H new ATOM 0 HG2 LYS A 286 10.147 -9.936 4.214 1.00 0.00 H new ATOM 0 HG3 LYS A 286 9.791 -11.090 5.483 1.00 0.00 H new ATOM 0 HD2 LYS A 286 7.382 -10.955 4.021 1.00 0.00 H new ATOM 0 HD3 LYS A 286 8.617 -10.870 2.781 1.00 0.00 H new ATOM 0 HE2 LYS A 286 9.416 -13.032 3.234 1.00 0.00 H new ATOM 0 HE3 LYS A 286 9.077 -12.916 4.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 286 7.450 -14.353 3.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 286 6.681 -12.973 4.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 286 7.010 -13.085 2.790 1.00 0.00 H new ATOM 334 N GLY A 287 11.046 -7.808 7.167 1.00 0.00 N ATOM 335 CA GLY A 287 12.517 -7.570 7.157 1.00 0.00 C ATOM 336 C GLY A 287 12.847 -6.467 6.152 1.00 0.00 C ATOM 337 O GLY A 287 13.579 -5.543 6.448 1.00 0.00 O ATOM 0 H GLY A 287 10.476 -6.993 7.394 1.00 0.00 H new ATOM 0 HA2 GLY A 287 12.857 -7.284 8.152 1.00 0.00 H new ATOM 0 HA3 GLY A 287 13.043 -8.487 6.892 1.00 0.00 H new ATOM 341 N ASP A 288 12.311 -6.551 4.965 1.00 0.00 N ATOM 342 CA ASP A 288 12.593 -5.503 3.946 1.00 0.00 C ATOM 343 C ASP A 288 11.725 -4.273 4.214 1.00 0.00 C ATOM 344 O ASP A 288 11.019 -3.796 3.347 1.00 0.00 O ATOM 345 CB ASP A 288 12.228 -6.140 2.605 1.00 0.00 C ATOM 346 CG ASP A 288 13.444 -6.113 1.679 1.00 0.00 C ATOM 347 OD1 ASP A 288 14.552 -6.170 2.186 1.00 0.00 O ATOM 348 OD2 ASP A 288 13.248 -6.036 0.477 1.00 0.00 O ATOM 0 H ASP A 288 11.690 -7.300 4.658 1.00 0.00 H new ATOM 0 HA ASP A 288 13.632 -5.173 3.964 1.00 0.00 H new ATOM 0 HB2 ASP A 288 11.896 -7.167 2.757 1.00 0.00 H new ATOM 0 HB3 ASP A 288 11.398 -5.601 2.148 1.00 0.00 H new ATOM 353 N VAL A 289 11.772 -3.760 5.412 1.00 0.00 N ATOM 354 CA VAL A 289 10.949 -2.563 5.747 1.00 0.00 C ATOM 355 C VAL A 289 11.294 -1.401 4.811 1.00 0.00 C ATOM 356 O VAL A 289 10.505 -0.501 4.610 1.00 0.00 O ATOM 357 CB VAL A 289 11.318 -2.222 7.190 1.00 0.00 C ATOM 358 CG1 VAL A 289 10.348 -1.171 7.731 1.00 0.00 C ATOM 359 CG2 VAL A 289 11.230 -3.487 8.048 1.00 0.00 C ATOM 0 H VAL A 289 12.346 -4.118 6.175 1.00 0.00 H new ATOM 0 HA VAL A 289 9.881 -2.751 5.633 1.00 0.00 H new ATOM 0 HB VAL A 289 12.334 -1.828 7.223 1.00 0.00 H new ATOM 0 HG11 VAL A 289 10.612 -0.928 8.760 1.00 0.00 H new ATOM 0 HG12 VAL A 289 10.408 -0.271 7.119 1.00 0.00 H new ATOM 0 HG13 VAL A 289 9.332 -1.564 7.700 1.00 0.00 H new ATOM 0 HG21 VAL A 289 11.493 -3.247 9.078 1.00 0.00 H new ATOM 0 HG22 VAL A 289 10.214 -3.879 8.015 1.00 0.00 H new ATOM 0 HG23 VAL A 289 11.921 -4.237 7.663 1.00 0.00 H new ATOM 369 N GLU A 290 12.465 -1.414 4.234 1.00 0.00 N ATOM 370 CA GLU A 290 12.846 -0.312 3.313 1.00 0.00 C ATOM 371 C GLU A 290 11.677 0.008 2.380 1.00 0.00 C ATOM 372 O GLU A 290 11.058 1.050 2.475 1.00 0.00 O ATOM 373 CB GLU A 290 14.033 -0.857 2.520 1.00 0.00 C ATOM 374 CG GLU A 290 14.754 0.296 1.819 1.00 0.00 C ATOM 375 CD GLU A 290 16.194 0.383 2.327 1.00 0.00 C ATOM 376 OE1 GLU A 290 16.378 0.371 3.533 1.00 0.00 O ATOM 377 OE2 GLU A 290 17.089 0.460 1.501 1.00 0.00 O ATOM 0 H GLU A 290 13.171 -2.139 4.362 1.00 0.00 H new ATOM 0 HA GLU A 290 13.098 0.608 3.840 1.00 0.00 H new ATOM 0 HB2 GLU A 290 14.721 -1.378 3.187 1.00 0.00 H new ATOM 0 HB3 GLU A 290 13.689 -1.585 1.785 1.00 0.00 H new ATOM 0 HG2 GLU A 290 14.747 0.141 0.740 1.00 0.00 H new ATOM 0 HG3 GLU A 290 14.233 1.234 2.010 1.00 0.00 H new ATOM 384 N THR A 291 11.368 -0.886 1.484 1.00 0.00 N ATOM 385 CA THR A 291 10.239 -0.647 0.547 1.00 0.00 C ATOM 386 C THR A 291 8.994 -0.209 1.325 1.00 0.00 C ATOM 387 O THR A 291 8.334 0.748 0.973 1.00 0.00 O ATOM 388 CB THR A 291 10.003 -1.995 -0.136 1.00 0.00 C ATOM 389 OG1 THR A 291 11.130 -2.321 -0.937 1.00 0.00 O ATOM 390 CG2 THR A 291 8.756 -1.914 -1.017 1.00 0.00 C ATOM 0 H THR A 291 11.852 -1.776 1.361 1.00 0.00 H new ATOM 0 HA THR A 291 10.455 0.141 -0.174 1.00 0.00 H new ATOM 0 HB THR A 291 9.859 -2.765 0.622 1.00 0.00 H new ATOM 0 HG1 THR A 291 10.982 -3.185 -1.374 1.00 0.00 H new ATOM 0 HG21 THR A 291 8.590 -2.876 -1.502 1.00 0.00 H new ATOM 0 HG22 THR A 291 7.892 -1.664 -0.402 1.00 0.00 H new ATOM 0 HG23 THR A 291 8.896 -1.144 -1.776 1.00 0.00 H new ATOM 398 N TYR A 292 8.671 -0.902 2.384 1.00 0.00 N ATOM 399 CA TYR A 292 7.472 -0.525 3.187 1.00 0.00 C ATOM 400 C TYR A 292 7.478 0.981 3.462 1.00 0.00 C ATOM 401 O TYR A 292 6.559 1.691 3.104 1.00 0.00 O ATOM 402 CB TYR A 292 7.608 -1.314 4.490 1.00 0.00 C ATOM 403 CG TYR A 292 6.424 -1.031 5.384 1.00 0.00 C ATOM 404 CD1 TYR A 292 5.167 -0.771 4.825 1.00 0.00 C ATOM 405 CD2 TYR A 292 6.586 -1.030 6.775 1.00 0.00 C ATOM 406 CE1 TYR A 292 4.072 -0.512 5.658 1.00 0.00 C ATOM 407 CE2 TYR A 292 5.490 -0.771 7.607 1.00 0.00 C ATOM 408 CZ TYR A 292 4.233 -0.511 7.048 1.00 0.00 C ATOM 409 OH TYR A 292 3.154 -0.255 7.869 1.00 0.00 O ATOM 0 H TYR A 292 9.186 -1.713 2.728 1.00 0.00 H new ATOM 0 HA TYR A 292 6.537 -0.749 2.673 1.00 0.00 H new ATOM 0 HB2 TYR A 292 7.667 -2.381 4.276 1.00 0.00 H new ATOM 0 HB3 TYR A 292 8.533 -1.039 4.998 1.00 0.00 H new ATOM 0 HD1 TYR A 292 5.042 -0.770 3.752 1.00 0.00 H new ATOM 0 HD2 TYR A 292 7.556 -1.229 7.206 1.00 0.00 H new ATOM 0 HE1 TYR A 292 3.102 -0.313 5.227 1.00 0.00 H new ATOM 0 HE2 TYR A 292 5.614 -0.772 8.680 1.00 0.00 H new ATOM 0 HH TYR A 292 3.439 -0.294 8.806 1.00 0.00 H new ATOM 419 N ARG A 293 8.509 1.474 4.094 1.00 0.00 N ATOM 420 CA ARG A 293 8.577 2.932 4.390 1.00 0.00 C ATOM 421 C ARG A 293 8.108 3.740 3.177 1.00 0.00 C ATOM 422 O ARG A 293 7.053 4.342 3.189 1.00 0.00 O ATOM 423 CB ARG A 293 10.053 3.209 4.680 1.00 0.00 C ATOM 424 CG ARG A 293 10.341 2.951 6.161 1.00 0.00 C ATOM 425 CD ARG A 293 11.621 3.684 6.569 1.00 0.00 C ATOM 426 NE ARG A 293 12.731 2.773 6.171 1.00 0.00 N ATOM 427 CZ ARG A 293 13.005 1.719 6.893 1.00 0.00 C ATOM 428 NH1 ARG A 293 12.307 1.457 7.965 1.00 0.00 N ATOM 429 NH2 ARG A 293 13.980 0.926 6.542 1.00 0.00 N ATOM 0 H ARG A 293 9.308 0.928 4.418 1.00 0.00 H new ATOM 0 HA ARG A 293 7.937 3.214 5.226 1.00 0.00 H new ATOM 0 HB2 ARG A 293 10.682 2.570 4.060 1.00 0.00 H new ATOM 0 HB3 ARG A 293 10.297 4.240 4.426 1.00 0.00 H new ATOM 0 HG2 ARG A 293 9.504 3.293 6.770 1.00 0.00 H new ATOM 0 HG3 ARG A 293 10.449 1.881 6.340 1.00 0.00 H new ATOM 0 HD2 ARG A 293 11.702 4.647 6.066 1.00 0.00 H new ATOM 0 HD3 ARG A 293 11.638 3.882 7.641 1.00 0.00 H new ATOM 0 HE ARG A 293 13.278 2.973 5.333 1.00 0.00 H new ATOM 0 HH11 ARG A 293 11.545 2.076 8.241 1.00 0.00 H new ATOM 0 HH12 ARG A 293 12.524 0.633 8.526 1.00 0.00 H new ATOM 0 HH21 ARG A 293 14.527 1.129 5.705 1.00 0.00 H new ATOM 0 HH22 ARG A 293 14.195 0.103 7.104 1.00 0.00 H new ATOM 443 N LYS A 294 8.888 3.759 2.131 1.00 0.00 N ATOM 444 CA LYS A 294 8.494 4.526 0.917 1.00 0.00 C ATOM 445 C LYS A 294 7.016 4.289 0.593 1.00 0.00 C ATOM 446 O LYS A 294 6.202 5.188 0.670 1.00 0.00 O ATOM 447 CB LYS A 294 9.383 3.980 -0.200 1.00 0.00 C ATOM 448 CG LYS A 294 8.842 4.439 -1.555 1.00 0.00 C ATOM 449 CD LYS A 294 10.010 4.697 -2.510 1.00 0.00 C ATOM 450 CE LYS A 294 9.809 3.886 -3.792 1.00 0.00 C ATOM 451 NZ LYS A 294 8.682 4.557 -4.498 1.00 0.00 N ATOM 0 H LYS A 294 9.783 3.275 2.065 1.00 0.00 H new ATOM 0 HA LYS A 294 8.618 5.601 1.050 1.00 0.00 H new ATOM 0 HB2 LYS A 294 10.407 4.330 -0.068 1.00 0.00 H new ATOM 0 HB3 LYS A 294 9.410 2.891 -0.158 1.00 0.00 H new ATOM 0 HG2 LYS A 294 8.180 3.679 -1.970 1.00 0.00 H new ATOM 0 HG3 LYS A 294 8.250 5.346 -1.434 1.00 0.00 H new ATOM 0 HD2 LYS A 294 10.074 5.759 -2.745 1.00 0.00 H new ATOM 0 HD3 LYS A 294 10.951 4.419 -2.035 1.00 0.00 H new ATOM 0 HE2 LYS A 294 10.712 3.883 -4.403 1.00 0.00 H new ATOM 0 HE3 LYS A 294 9.572 2.846 -3.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 294 8.647 4.230 -5.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 294 7.787 4.323 -4.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 294 8.825 5.587 -4.479 1.00 0.00 H new ATOM 465 N LEU A 295 6.665 3.085 0.229 1.00 0.00 N ATOM 466 CA LEU A 295 5.243 2.786 -0.103 1.00 0.00 C ATOM 467 C LEU A 295 4.306 3.478 0.892 1.00 0.00 C ATOM 468 O LEU A 295 3.524 4.336 0.530 1.00 0.00 O ATOM 469 CB LEU A 295 5.121 1.266 0.015 1.00 0.00 C ATOM 470 CG LEU A 295 5.249 0.633 -1.372 1.00 0.00 C ATOM 471 CD1 LEU A 295 6.279 -0.496 -1.327 1.00 0.00 C ATOM 472 CD2 LEU A 295 3.892 0.067 -1.799 1.00 0.00 C ATOM 0 H LEU A 295 7.304 2.294 0.147 1.00 0.00 H new ATOM 0 HA LEU A 295 4.968 3.143 -1.096 1.00 0.00 H new ATOM 0 HB2 LEU A 295 5.897 0.879 0.676 1.00 0.00 H new ATOM 0 HB3 LEU A 295 4.162 1.001 0.460 1.00 0.00 H new ATOM 0 HG LEU A 295 5.572 1.389 -2.088 1.00 0.00 H new ATOM 0 HD11 LEU A 295 6.369 -0.946 -2.316 1.00 0.00 H new ATOM 0 HD12 LEU A 295 7.245 -0.095 -1.021 1.00 0.00 H new ATOM 0 HD13 LEU A 295 5.958 -1.253 -0.612 1.00 0.00 H new ATOM 0 HD21 LEU A 295 3.981 -0.385 -2.787 1.00 0.00 H new ATOM 0 HD22 LEU A 295 3.571 -0.689 -1.082 1.00 0.00 H new ATOM 0 HD23 LEU A 295 3.157 0.871 -1.832 1.00 0.00 H new ATOM 484 N LYS A 296 4.378 3.110 2.143 1.00 0.00 N ATOM 485 CA LYS A 296 3.494 3.742 3.161 1.00 0.00 C ATOM 486 C LYS A 296 3.413 5.253 2.928 1.00 0.00 C ATOM 487 O LYS A 296 2.360 5.791 2.648 1.00 0.00 O ATOM 488 CB LYS A 296 4.158 3.441 4.505 1.00 0.00 C ATOM 489 CG LYS A 296 3.178 2.679 5.399 1.00 0.00 C ATOM 490 CD LYS A 296 2.109 3.641 5.920 1.00 0.00 C ATOM 491 CE LYS A 296 2.088 3.600 7.450 1.00 0.00 C ATOM 492 NZ LYS A 296 1.377 2.336 7.790 1.00 0.00 N ATOM 0 H LYS A 296 5.013 2.397 2.503 1.00 0.00 H new ATOM 0 HA LYS A 296 2.474 3.360 3.116 1.00 0.00 H new ATOM 0 HB2 LYS A 296 5.062 2.851 4.352 1.00 0.00 H new ATOM 0 HB3 LYS A 296 4.462 4.369 4.989 1.00 0.00 H new ATOM 0 HG2 LYS A 296 2.711 1.869 4.838 1.00 0.00 H new ATOM 0 HG3 LYS A 296 3.710 2.223 6.234 1.00 0.00 H new ATOM 0 HD2 LYS A 296 2.317 4.654 5.575 1.00 0.00 H new ATOM 0 HD3 LYS A 296 1.132 3.364 5.525 1.00 0.00 H new ATOM 0 HE2 LYS A 296 3.098 3.607 7.859 1.00 0.00 H new ATOM 0 HE3 LYS A 296 1.571 4.467 7.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 296 0.979 2.408 8.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 296 0.609 2.175 7.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 296 2.046 1.540 7.752 1.00 0.00 H new ATOM 506 N ALA A 297 4.518 5.939 3.040 1.00 0.00 N ATOM 507 CA ALA A 297 4.506 7.413 2.824 1.00 0.00 C ATOM 508 C ALA A 297 3.636 7.759 1.614 1.00 0.00 C ATOM 509 O ALA A 297 2.702 8.530 1.709 1.00 0.00 O ATOM 510 CB ALA A 297 5.966 7.785 2.561 1.00 0.00 C ATOM 0 H ALA A 297 5.428 5.542 3.272 1.00 0.00 H new ATOM 0 HA ALA A 297 4.095 7.955 3.676 1.00 0.00 H new ATOM 0 HB1 ALA A 297 6.043 8.859 2.391 1.00 0.00 H new ATOM 0 HB2 ALA A 297 6.573 7.509 3.424 1.00 0.00 H new ATOM 0 HB3 ALA A 297 6.324 7.252 1.680 1.00 0.00 H new ATOM 516 N LYS A 298 3.934 7.192 0.478 1.00 0.00 N ATOM 517 CA LYS A 298 3.125 7.483 -0.737 1.00 0.00 C ATOM 518 C LYS A 298 1.634 7.483 -0.391 1.00 0.00 C ATOM 519 O LYS A 298 0.982 8.508 -0.406 1.00 0.00 O ATOM 520 CB LYS A 298 3.449 6.348 -1.709 1.00 0.00 C ATOM 521 CG LYS A 298 4.301 6.886 -2.860 1.00 0.00 C ATOM 522 CD LYS A 298 4.127 5.990 -4.088 1.00 0.00 C ATOM 523 CE LYS A 298 4.302 4.524 -3.682 1.00 0.00 C ATOM 524 NZ LYS A 298 3.820 3.742 -4.854 1.00 0.00 N ATOM 0 H LYS A 298 4.705 6.538 0.339 1.00 0.00 H new ATOM 0 HA LYS A 298 3.353 8.461 -1.161 1.00 0.00 H new ATOM 0 HB2 LYS A 298 3.982 5.552 -1.190 1.00 0.00 H new ATOM 0 HB3 LYS A 298 2.528 5.914 -2.097 1.00 0.00 H new ATOM 0 HG2 LYS A 298 4.006 7.908 -3.098 1.00 0.00 H new ATOM 0 HG3 LYS A 298 5.350 6.918 -2.566 1.00 0.00 H new ATOM 0 HD2 LYS A 298 3.140 6.142 -4.525 1.00 0.00 H new ATOM 0 HD3 LYS A 298 4.858 6.256 -4.852 1.00 0.00 H new ATOM 0 HE2 LYS A 298 5.344 4.298 -3.458 1.00 0.00 H new ATOM 0 HE3 LYS A 298 3.725 4.290 -2.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 298 3.908 2.725 -4.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 298 2.823 3.973 -5.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 298 4.392 3.980 -5.689 1.00 0.00 H new ATOM 538 N LEU A 299 1.088 6.337 -0.084 1.00 0.00 N ATOM 539 CA LEU A 299 -0.359 6.268 0.257 1.00 0.00 C ATOM 540 C LEU A 299 -0.720 7.354 1.274 1.00 0.00 C ATOM 541 O LEU A 299 -1.814 7.883 1.270 1.00 0.00 O ATOM 542 CB LEU A 299 -0.560 4.878 0.863 1.00 0.00 C ATOM 543 CG LEU A 299 -1.996 4.416 0.612 1.00 0.00 C ATOM 544 CD1 LEU A 299 -1.982 3.089 -0.150 1.00 0.00 C ATOM 545 CD2 LEU A 299 -2.711 4.225 1.951 1.00 0.00 C ATOM 0 H LEU A 299 1.583 5.446 -0.055 1.00 0.00 H new ATOM 0 HA LEU A 299 -0.993 6.428 -0.615 1.00 0.00 H new ATOM 0 HB2 LEU A 299 0.143 4.172 0.421 1.00 0.00 H new ATOM 0 HB3 LEU A 299 -0.356 4.903 1.934 1.00 0.00 H new ATOM 0 HG LEU A 299 -2.520 5.168 0.022 1.00 0.00 H new ATOM 0 HD11 LEU A 299 -3.006 2.761 -0.328 1.00 0.00 H new ATOM 0 HD12 LEU A 299 -1.473 3.223 -1.104 1.00 0.00 H new ATOM 0 HD13 LEU A 299 -1.457 2.337 0.439 1.00 0.00 H new ATOM 0 HD21 LEU A 299 -3.735 3.896 1.773 1.00 0.00 H new ATOM 0 HD22 LEU A 299 -2.185 3.474 2.540 1.00 0.00 H new ATOM 0 HD23 LEU A 299 -2.723 5.169 2.495 1.00 0.00 H new ATOM 557 N LYS A 300 0.190 7.691 2.146 1.00 0.00 N ATOM 558 CA LYS A 300 -0.102 8.740 3.163 1.00 0.00 C ATOM 559 C LYS A 300 0.174 10.133 2.587 1.00 0.00 C ATOM 560 O LYS A 300 0.328 11.095 3.313 1.00 0.00 O ATOM 561 CB LYS A 300 0.848 8.442 4.324 1.00 0.00 C ATOM 562 CG LYS A 300 0.158 8.778 5.647 1.00 0.00 C ATOM 563 CD LYS A 300 1.211 9.141 6.696 1.00 0.00 C ATOM 564 CE LYS A 300 0.922 8.382 7.993 1.00 0.00 C ATOM 565 NZ LYS A 300 2.256 8.170 8.620 1.00 0.00 N ATOM 0 H LYS A 300 1.124 7.285 2.198 1.00 0.00 H new ATOM 0 HA LYS A 300 -1.146 8.729 3.476 1.00 0.00 H new ATOM 0 HB2 LYS A 300 1.138 7.392 4.310 1.00 0.00 H new ATOM 0 HB3 LYS A 300 1.762 9.027 4.219 1.00 0.00 H new ATOM 0 HG2 LYS A 300 -0.533 9.609 5.508 1.00 0.00 H new ATOM 0 HG3 LYS A 300 -0.432 7.927 5.988 1.00 0.00 H new ATOM 0 HD2 LYS A 300 2.206 8.890 6.329 1.00 0.00 H new ATOM 0 HD3 LYS A 300 1.201 10.215 6.881 1.00 0.00 H new ATOM 0 HE2 LYS A 300 0.265 8.955 8.647 1.00 0.00 H new ATOM 0 HE3 LYS A 300 0.425 7.433 7.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 300 2.141 7.655 9.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 300 2.858 7.617 7.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 300 2.703 9.091 8.805 1.00 0.00 H new ATOM 579 N GLY A 301 0.237 10.250 1.288 1.00 0.00 N ATOM 580 CA GLY A 301 0.502 11.581 0.672 1.00 0.00 C ATOM 581 C GLY A 301 -0.091 11.620 -0.738 1.00 0.00 C ATOM 582 O GLY A 301 0.535 12.079 -1.672 1.00 0.00 O ATOM 0 H GLY A 301 0.116 9.482 0.628 1.00 0.00 H new ATOM 0 HA2 GLY A 301 0.064 12.370 1.284 1.00 0.00 H new ATOM 0 HA3 GLY A 301 1.575 11.767 0.632 1.00 0.00 H new ATOM 586 N ILE A 302 -1.295 11.141 -0.899 1.00 0.00 N ATOM 587 CA ILE A 302 -1.927 11.151 -2.247 1.00 0.00 C ATOM 588 C ILE A 302 -2.977 12.262 -2.333 1.00 0.00 C ATOM 589 O ILE A 302 -3.301 12.740 -3.402 1.00 0.00 O ATOM 590 CB ILE A 302 -2.584 9.778 -2.386 1.00 0.00 C ATOM 591 CG1 ILE A 302 -1.507 8.722 -2.645 1.00 0.00 C ATOM 592 CG2 ILE A 302 -3.568 9.799 -3.557 1.00 0.00 C ATOM 593 CD1 ILE A 302 -2.170 7.383 -2.967 1.00 0.00 C ATOM 0 H ILE A 302 -1.867 10.743 -0.154 1.00 0.00 H new ATOM 0 HA ILE A 302 -1.204 11.339 -3.041 1.00 0.00 H new ATOM 0 HB ILE A 302 -3.118 9.536 -1.467 1.00 0.00 H new ATOM 0 HG12 ILE A 302 -0.870 9.033 -3.473 1.00 0.00 H new ATOM 0 HG13 ILE A 302 -0.865 8.620 -1.770 1.00 0.00 H new ATOM 0 HG21 ILE A 302 -4.037 8.820 -3.656 1.00 0.00 H new ATOM 0 HG22 ILE A 302 -4.335 10.551 -3.374 1.00 0.00 H new ATOM 0 HG23 ILE A 302 -3.034 10.041 -4.476 1.00 0.00 H new ATOM 0 HD11 ILE A 302 -1.402 6.632 -3.151 1.00 0.00 H new ATOM 0 HD12 ILE A 302 -2.788 7.071 -2.125 1.00 0.00 H new ATOM 0 HD13 ILE A 302 -2.793 7.490 -3.855 1.00 0.00 H new ATOM 605 N ARG A 303 -3.510 12.675 -1.217 1.00 0.00 N ATOM 606 CA ARG A 303 -4.540 13.755 -1.237 1.00 0.00 C ATOM 607 C ARG A 303 -4.901 14.168 0.192 1.00 0.00 C ATOM 608 O ARG A 303 -4.887 13.308 1.058 1.00 0.00 O ATOM 609 CB ARG A 303 -5.749 13.135 -1.938 1.00 0.00 C ATOM 610 CG ARG A 303 -5.852 13.685 -3.362 1.00 0.00 C ATOM 611 CD ARG A 303 -6.180 12.545 -4.329 1.00 0.00 C ATOM 612 NE ARG A 303 -7.208 13.105 -5.250 1.00 0.00 N ATOM 613 CZ ARG A 303 -7.965 12.304 -5.952 1.00 0.00 C ATOM 614 NH1 ARG A 303 -7.827 11.010 -5.848 1.00 0.00 N ATOM 615 NH2 ARG A 303 -8.863 12.800 -6.759 1.00 0.00 N ATOM 616 OXT ARG A 303 -5.186 15.337 0.396 1.00 0.00 O ATOM 0 H ARG A 303 -3.278 12.313 -0.292 1.00 0.00 H new ATOM 0 HA ARG A 303 -4.189 14.652 -1.747 1.00 0.00 H new ATOM 0 HB2 ARG A 303 -5.651 12.050 -1.962 1.00 0.00 H new ATOM 0 HB3 ARG A 303 -6.660 13.361 -1.383 1.00 0.00 H new ATOM 0 HG2 ARG A 303 -6.625 14.452 -3.412 1.00 0.00 H new ATOM 0 HG3 ARG A 303 -4.914 14.160 -3.648 1.00 0.00 H new ATOM 0 HD2 ARG A 303 -5.293 12.224 -4.876 1.00 0.00 H new ATOM 0 HD3 ARG A 303 -6.560 11.673 -3.797 1.00 0.00 H new ATOM 0 HE ARG A 303 -7.321 14.115 -5.333 1.00 0.00 H new ATOM 0 HH11 ARG A 303 -7.126 10.621 -5.217 1.00 0.00 H new ATOM 0 HH12 ARG A 303 -8.420 10.388 -6.398 1.00 0.00 H new ATOM 0 HH21 ARG A 303 -8.973 13.811 -6.841 1.00 0.00 H new ATOM 0 HH22 ARG A 303 -9.455 12.177 -7.308 1.00 0.00 H new TER 630 ARG A 303