USER MOD reduce.3.24.130724 H: found=0, std=0, add=324, rem=0, adj=10 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= -0.0593 USER MOD Set 1.2: A 296 LYS NZ :NH3+ 171:sc= 0.0115 (180deg=0) USER MOD Single : A 265 THR OG1 : rot -20:sc= 0.256 USER MOD Single : A 269 SER OG : rot 180:sc= 0.0666 USER MOD Single : A 272 ASN : amide:sc= -0.244 K(o=-0.24,f=-3.2!) 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= -0.502 K(o=-0.5,f=-3.9!) USER MOD Single : A 280 MET CE :methyl 149:sc= -0.316 (180deg=-1.54) USER MOD Single : A 285 SER OG : rot 180:sc= 0 USER MOD Single : A 286 LYS NZ :NH3+ -119:sc=-0.00824 (180deg=-0.387) USER MOD Single : A 291 THR OG1 : rot 180:sc= 0 USER MOD Single : A 294 LYS NZ :NH3+ 154:sc= -0.117 (180deg=-1.13!) USER MOD Single : A 298 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 300 LYS NZ :NH3+ -166:sc= -1.04 (180deg=-1.28) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 264 -8.601 7.071 4.943 1.00 0.00 N ATOM 2 CA ILE A 264 -9.482 7.528 6.057 1.00 0.00 C ATOM 3 C ILE A 264 -10.951 7.455 5.633 1.00 0.00 C ATOM 4 O ILE A 264 -11.846 7.483 6.455 1.00 0.00 O ATOM 5 CB ILE A 264 -9.070 8.977 6.318 1.00 0.00 C ATOM 6 CG1 ILE A 264 -9.360 9.821 5.074 1.00 0.00 C ATOM 7 CG2 ILE A 264 -7.574 9.032 6.634 1.00 0.00 C ATOM 8 CD1 ILE A 264 -10.093 11.100 5.484 1.00 0.00 C ATOM 0 HA ILE A 264 -9.378 6.908 6.947 1.00 0.00 H new ATOM 0 HB ILE A 264 -9.635 9.369 7.164 1.00 0.00 H new ATOM 0 HG12 ILE A 264 -8.429 10.070 4.565 1.00 0.00 H new ATOM 0 HG13 ILE A 264 -9.966 9.252 4.369 1.00 0.00 H new ATOM 0 HG21 ILE A 264 -7.279 10.065 6.820 1.00 0.00 H new ATOM 0 HG22 ILE A 264 -7.367 8.430 7.519 1.00 0.00 H new ATOM 0 HG23 ILE A 264 -7.009 8.640 5.788 1.00 0.00 H new ATOM 0 HD11 ILE A 264 -10.299 11.701 4.598 1.00 0.00 H new ATOM 0 HD12 ILE A 264 -11.032 10.840 5.973 1.00 0.00 H new ATOM 0 HD13 ILE A 264 -9.471 11.671 6.173 1.00 0.00 H new ATOM 22 N THR A 265 -11.207 7.360 4.357 1.00 0.00 N ATOM 23 CA THR A 265 -12.618 7.284 3.883 1.00 0.00 C ATOM 24 C THR A 265 -13.197 5.896 4.170 1.00 0.00 C ATOM 25 O THR A 265 -14.373 5.652 3.985 1.00 0.00 O ATOM 26 CB THR A 265 -12.544 7.535 2.376 1.00 0.00 C ATOM 27 OG1 THR A 265 -13.855 7.509 1.829 1.00 0.00 O ATOM 28 CG2 THR A 265 -11.692 6.450 1.717 1.00 0.00 C ATOM 0 H THR A 265 -10.500 7.332 3.622 1.00 0.00 H new ATOM 0 HA THR A 265 -13.262 8.006 4.384 1.00 0.00 H new ATOM 0 HB THR A 265 -12.092 8.509 2.191 1.00 0.00 H new ATOM 0 HG1 THR A 265 -14.455 7.034 2.441 1.00 0.00 H new ATOM 0 HG21 THR A 265 -11.640 6.630 0.643 1.00 0.00 H new ATOM 0 HG22 THR A 265 -10.687 6.471 2.137 1.00 0.00 H new ATOM 0 HG23 THR A 265 -12.141 5.474 1.900 1.00 0.00 H new ATOM 36 N GLY A 266 -12.380 4.984 4.623 1.00 0.00 N ATOM 37 CA GLY A 266 -12.883 3.614 4.922 1.00 0.00 C ATOM 38 C GLY A 266 -12.120 3.039 6.117 1.00 0.00 C ATOM 39 O GLY A 266 -11.025 3.463 6.430 1.00 0.00 O ATOM 0 H GLY A 266 -11.386 5.129 4.799 1.00 0.00 H new ATOM 0 HA2 GLY A 266 -13.950 3.647 5.140 1.00 0.00 H new ATOM 0 HA3 GLY A 266 -12.755 2.970 4.052 1.00 0.00 H new ATOM 43 N ASP A 267 -12.691 2.079 6.791 1.00 0.00 N ATOM 44 CA ASP A 267 -12.000 1.480 7.966 1.00 0.00 C ATOM 45 C ASP A 267 -11.348 0.147 7.585 1.00 0.00 C ATOM 46 O ASP A 267 -10.141 0.007 7.601 1.00 0.00 O ATOM 47 CB ASP A 267 -13.102 1.260 9.003 1.00 0.00 C ATOM 48 CG ASP A 267 -12.638 1.791 10.360 1.00 0.00 C ATOM 49 OD1 ASP A 267 -11.641 1.295 10.859 1.00 0.00 O ATOM 50 OD2 ASP A 267 -13.288 2.684 10.878 1.00 0.00 O ATOM 0 H ASP A 267 -13.607 1.684 6.578 1.00 0.00 H new ATOM 0 HA ASP A 267 -11.204 2.122 8.343 1.00 0.00 H new ATOM 0 HB2 ASP A 267 -14.014 1.770 8.694 1.00 0.00 H new ATOM 0 HB3 ASP A 267 -13.339 0.199 9.078 1.00 0.00 H new ATOM 55 N VAL A 268 -12.141 -0.836 7.255 1.00 0.00 N ATOM 56 CA VAL A 268 -11.584 -2.163 6.888 1.00 0.00 C ATOM 57 C VAL A 268 -10.817 -2.092 5.565 1.00 0.00 C ATOM 58 O VAL A 268 -10.506 -1.028 5.065 1.00 0.00 O ATOM 59 CB VAL A 268 -12.813 -3.055 6.748 1.00 0.00 C ATOM 60 CG1 VAL A 268 -13.455 -3.261 8.121 1.00 0.00 C ATOM 61 CG2 VAL A 268 -13.822 -2.390 5.809 1.00 0.00 C ATOM 0 H VAL A 268 -13.159 -0.773 7.225 1.00 0.00 H new ATOM 0 HA VAL A 268 -10.874 -2.533 7.628 1.00 0.00 H new ATOM 0 HB VAL A 268 -12.515 -4.020 6.338 1.00 0.00 H new ATOM 0 HG11 VAL A 268 -14.333 -3.899 8.020 1.00 0.00 H new ATOM 0 HG12 VAL A 268 -12.737 -3.735 8.791 1.00 0.00 H new ATOM 0 HG13 VAL A 268 -13.752 -2.296 8.532 1.00 0.00 H new ATOM 0 HG21 VAL A 268 -14.701 -3.027 5.709 1.00 0.00 H new ATOM 0 HG22 VAL A 268 -14.119 -1.425 6.219 1.00 0.00 H new ATOM 0 HG23 VAL A 268 -13.366 -2.244 4.830 1.00 0.00 H new ATOM 71 N SER A 269 -10.507 -3.228 5.000 1.00 0.00 N ATOM 72 CA SER A 269 -9.757 -3.250 3.712 1.00 0.00 C ATOM 73 C SER A 269 -10.285 -2.167 2.770 1.00 0.00 C ATOM 74 O SER A 269 -9.558 -1.636 1.955 1.00 0.00 O ATOM 75 CB SER A 269 -10.014 -4.638 3.129 1.00 0.00 C ATOM 76 OG SER A 269 -11.222 -5.158 3.669 1.00 0.00 O ATOM 0 H SER A 269 -10.742 -4.146 5.378 1.00 0.00 H new ATOM 0 HA SER A 269 -8.694 -3.056 3.852 1.00 0.00 H new ATOM 0 HB2 SER A 269 -10.082 -4.582 2.043 1.00 0.00 H new ATOM 0 HB3 SER A 269 -9.182 -5.303 3.362 1.00 0.00 H new ATOM 0 HG SER A 269 -11.391 -6.048 3.295 1.00 0.00 H new ATOM 82 N ALA A 270 -11.544 -1.837 2.876 1.00 0.00 N ATOM 83 CA ALA A 270 -12.118 -0.788 1.987 1.00 0.00 C ATOM 84 C ALA A 270 -11.131 0.372 1.841 1.00 0.00 C ATOM 85 O ALA A 270 -10.736 0.732 0.750 1.00 0.00 O ATOM 86 CB ALA A 270 -13.392 -0.324 2.692 1.00 0.00 C ATOM 0 H ALA A 270 -12.199 -2.249 3.540 1.00 0.00 H new ATOM 0 HA ALA A 270 -12.323 -1.161 0.984 1.00 0.00 H new ATOM 0 HB1 ALA A 270 -13.875 0.452 2.098 1.00 0.00 H new ATOM 0 HB2 ALA A 270 -14.072 -1.168 2.808 1.00 0.00 H new ATOM 0 HB3 ALA A 270 -13.139 0.076 3.674 1.00 0.00 H new ATOM 92 N ALA A 271 -10.728 0.958 2.934 1.00 0.00 N ATOM 93 CA ALA A 271 -9.769 2.086 2.865 1.00 0.00 C ATOM 94 C ALA A 271 -8.338 1.554 2.766 1.00 0.00 C ATOM 95 O ALA A 271 -7.478 2.160 2.156 1.00 0.00 O ATOM 96 CB ALA A 271 -9.966 2.856 4.169 1.00 0.00 C ATOM 0 H ALA A 271 -11.025 0.700 3.875 1.00 0.00 H new ATOM 0 HA ALA A 271 -9.935 2.717 1.992 1.00 0.00 H new ATOM 0 HB1 ALA A 271 -9.289 3.710 4.193 1.00 0.00 H new ATOM 0 HB2 ALA A 271 -10.996 3.208 4.232 1.00 0.00 H new ATOM 0 HB3 ALA A 271 -9.755 2.201 5.014 1.00 0.00 H new ATOM 102 N ASN A 272 -8.077 0.424 3.364 1.00 0.00 N ATOM 103 CA ASN A 272 -6.702 -0.150 3.311 1.00 0.00 C ATOM 104 C ASN A 272 -6.264 -0.350 1.858 1.00 0.00 C ATOM 105 O ASN A 272 -5.401 0.346 1.362 1.00 0.00 O ATOM 106 CB ASN A 272 -6.807 -1.495 4.030 1.00 0.00 C ATOM 107 CG ASN A 272 -5.560 -1.714 4.888 1.00 0.00 C ATOM 108 OD1 ASN A 272 -4.672 -0.885 4.914 1.00 0.00 O ATOM 109 ND2 ASN A 272 -5.454 -2.805 5.597 1.00 0.00 N ATOM 0 H ASN A 272 -8.757 -0.127 3.888 1.00 0.00 H new ATOM 0 HA ASN A 272 -5.964 0.505 3.775 1.00 0.00 H new ATOM 0 HB2 ASN A 272 -7.700 -1.516 4.655 1.00 0.00 H new ATOM 0 HB3 ASN A 272 -6.907 -2.301 3.303 1.00 0.00 H new ATOM 0 HD21 ASN A 272 -4.626 -2.961 6.172 1.00 0.00 H new ATOM 0 HD22 ASN A 272 -6.199 -3.501 5.576 1.00 0.00 H new ATOM 116 N LYS A 273 -6.849 -1.301 1.178 1.00 0.00 N ATOM 117 CA LYS A 273 -6.468 -1.561 -0.242 1.00 0.00 C ATOM 118 C LYS A 273 -6.201 -0.247 -0.981 1.00 0.00 C ATOM 119 O LYS A 273 -5.142 -0.047 -1.541 1.00 0.00 O ATOM 120 CB LYS A 273 -7.672 -2.279 -0.851 1.00 0.00 C ATOM 121 CG LYS A 273 -7.532 -2.309 -2.374 1.00 0.00 C ATOM 122 CD LYS A 273 -7.809 -3.725 -2.884 1.00 0.00 C ATOM 123 CE LYS A 273 -6.614 -4.626 -2.564 1.00 0.00 C ATOM 124 NZ LYS A 273 -6.746 -5.782 -3.495 1.00 0.00 N ATOM 0 H LYS A 273 -7.578 -1.912 1.547 1.00 0.00 H new ATOM 0 HA LYS A 273 -5.555 -2.152 -0.316 1.00 0.00 H new ATOM 0 HB2 LYS A 273 -7.738 -3.295 -0.461 1.00 0.00 H new ATOM 0 HB3 LYS A 273 -8.593 -1.769 -0.570 1.00 0.00 H new ATOM 0 HG2 LYS A 273 -8.229 -1.605 -2.828 1.00 0.00 H new ATOM 0 HG3 LYS A 273 -6.529 -1.996 -2.664 1.00 0.00 H new ATOM 0 HD2 LYS A 273 -8.711 -4.121 -2.418 1.00 0.00 H new ATOM 0 HD3 LYS A 273 -7.987 -3.707 -3.959 1.00 0.00 H new ATOM 0 HE2 LYS A 273 -5.671 -4.101 -2.717 1.00 0.00 H new ATOM 0 HE3 LYS A 273 -6.632 -4.952 -1.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 273 -5.962 -6.446 -3.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 273 -7.650 -6.266 -3.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 273 -6.719 -5.442 -4.477 1.00 0.00 H new ATOM 138 N ASP A 274 -7.148 0.651 -0.988 1.00 0.00 N ATOM 139 CA ASP A 274 -6.936 1.946 -1.691 1.00 0.00 C ATOM 140 C ASP A 274 -5.526 2.468 -1.403 1.00 0.00 C ATOM 141 O ASP A 274 -4.747 2.720 -2.304 1.00 0.00 O ATOM 142 CB ASP A 274 -7.988 2.890 -1.109 1.00 0.00 C ATOM 143 CG ASP A 274 -7.760 4.304 -1.646 1.00 0.00 C ATOM 144 OD1 ASP A 274 -7.454 4.428 -2.821 1.00 0.00 O ATOM 145 OD2 ASP A 274 -7.895 5.239 -0.875 1.00 0.00 O ATOM 0 H ASP A 274 -8.057 0.544 -0.538 1.00 0.00 H new ATOM 0 HA ASP A 274 -7.030 1.854 -2.773 1.00 0.00 H new ATOM 0 HB2 ASP A 274 -8.987 2.546 -1.375 1.00 0.00 H new ATOM 0 HB3 ASP A 274 -7.930 2.889 -0.021 1.00 0.00 H new ATOM 150 N ALA A 275 -5.192 2.628 -0.152 1.00 0.00 N ATOM 151 CA ALA A 275 -3.840 3.128 0.201 1.00 0.00 C ATOM 152 C ALA A 275 -2.767 2.127 -0.239 1.00 0.00 C ATOM 153 O ALA A 275 -1.707 2.504 -0.696 1.00 0.00 O ATOM 154 CB ALA A 275 -3.853 3.264 1.723 1.00 0.00 C ATOM 0 H ALA A 275 -5.802 2.432 0.642 1.00 0.00 H new ATOM 0 HA ALA A 275 -3.610 4.072 -0.292 1.00 0.00 H new ATOM 0 HB1 ALA A 275 -2.885 3.630 2.064 1.00 0.00 H new ATOM 0 HB2 ALA A 275 -4.632 3.967 2.019 1.00 0.00 H new ATOM 0 HB3 ALA A 275 -4.052 2.292 2.173 1.00 0.00 H new ATOM 160 N ILE A 276 -3.027 0.854 -0.103 1.00 0.00 N ATOM 161 CA ILE A 276 -2.011 -0.157 -0.512 1.00 0.00 C ATOM 162 C ILE A 276 -1.404 0.230 -1.862 1.00 0.00 C ATOM 163 O ILE A 276 -0.248 0.592 -1.953 1.00 0.00 O ATOM 164 CB ILE A 276 -2.766 -1.485 -0.626 1.00 0.00 C ATOM 165 CG1 ILE A 276 -3.343 -1.877 0.739 1.00 0.00 C ATOM 166 CG2 ILE A 276 -1.805 -2.576 -1.101 1.00 0.00 C ATOM 167 CD1 ILE A 276 -2.216 -2.338 1.662 1.00 0.00 C ATOM 0 H ILE A 276 -3.895 0.472 0.272 1.00 0.00 H new ATOM 0 HA ILE A 276 -1.193 -0.225 0.205 1.00 0.00 H new ATOM 0 HB ILE A 276 -3.581 -1.373 -1.342 1.00 0.00 H new ATOM 0 HG12 ILE A 276 -3.864 -1.028 1.182 1.00 0.00 H new ATOM 0 HG13 ILE A 276 -4.077 -2.674 0.619 1.00 0.00 H new ATOM 0 HG21 ILE A 276 -2.340 -3.522 -1.183 1.00 0.00 H new ATOM 0 HG22 ILE A 276 -1.398 -2.304 -2.075 1.00 0.00 H new ATOM 0 HG23 ILE A 276 -0.991 -2.681 -0.384 1.00 0.00 H new ATOM 0 HD11 ILE A 276 -2.630 -2.616 2.631 1.00 0.00 H new ATOM 0 HD12 ILE A 276 -1.714 -3.200 1.221 1.00 0.00 H new ATOM 0 HD13 ILE A 276 -1.498 -1.528 1.793 1.00 0.00 H new ATOM 179 N ARG A 277 -2.176 0.160 -2.911 1.00 0.00 N ATOM 180 CA ARG A 277 -1.641 0.529 -4.252 1.00 0.00 C ATOM 181 C ARG A 277 -1.049 1.940 -4.208 1.00 0.00 C ATOM 182 O ARG A 277 0.090 2.158 -4.569 1.00 0.00 O ATOM 183 CB ARG A 277 -2.849 0.484 -5.189 1.00 0.00 C ATOM 184 CG ARG A 277 -3.176 -0.971 -5.531 1.00 0.00 C ATOM 185 CD ARG A 277 -4.688 -1.125 -5.714 1.00 0.00 C ATOM 186 NE ARG A 277 -4.866 -2.472 -6.325 1.00 0.00 N ATOM 187 CZ ARG A 277 -6.020 -2.814 -6.832 1.00 0.00 C ATOM 188 NH1 ARG A 277 -7.022 -1.977 -6.811 1.00 0.00 N ATOM 189 NH2 ARG A 277 -6.172 -3.997 -7.362 1.00 0.00 N ATOM 0 H ARG A 277 -3.152 -0.136 -2.898 1.00 0.00 H new ATOM 0 HA ARG A 277 -0.848 -0.142 -4.581 1.00 0.00 H new ATOM 0 HB2 ARG A 277 -3.708 0.959 -4.715 1.00 0.00 H new ATOM 0 HB3 ARG A 277 -2.637 1.044 -6.100 1.00 0.00 H new ATOM 0 HG2 ARG A 277 -2.657 -1.267 -6.442 1.00 0.00 H new ATOM 0 HG3 ARG A 277 -2.826 -1.630 -4.736 1.00 0.00 H new ATOM 0 HD2 ARG A 277 -5.211 -1.052 -4.760 1.00 0.00 H new ATOM 0 HD3 ARG A 277 -5.089 -0.343 -6.358 1.00 0.00 H new ATOM 0 HE ARG A 277 -4.085 -3.128 -6.347 1.00 0.00 H new ATOM 0 HH11 ARG A 277 -6.905 -1.052 -6.398 1.00 0.00 H new ATOM 0 HH12 ARG A 277 -7.922 -2.248 -7.208 1.00 0.00 H new ATOM 0 HH21 ARG A 277 -5.390 -4.652 -7.380 1.00 0.00 H new ATOM 0 HH22 ARG A 277 -7.072 -4.266 -7.759 1.00 0.00 H new ATOM 203 N LYS A 278 -1.816 2.900 -3.769 1.00 0.00 N ATOM 204 CA LYS A 278 -1.302 4.294 -3.702 1.00 0.00 C ATOM 205 C LYS A 278 0.018 4.341 -2.926 1.00 0.00 C ATOM 206 O LYS A 278 1.018 4.832 -3.411 1.00 0.00 O ATOM 207 CB LYS A 278 -2.387 5.080 -2.964 1.00 0.00 C ATOM 208 CG LYS A 278 -3.581 5.300 -3.895 1.00 0.00 C ATOM 209 CD LYS A 278 -3.813 6.800 -4.083 1.00 0.00 C ATOM 210 CE LYS A 278 -4.560 7.042 -5.397 1.00 0.00 C ATOM 211 NZ LYS A 278 -5.917 7.501 -4.989 1.00 0.00 N ATOM 0 H LYS A 278 -2.778 2.777 -3.454 1.00 0.00 H new ATOM 0 HA LYS A 278 -1.100 4.705 -4.691 1.00 0.00 H new ATOM 0 HB2 LYS A 278 -2.702 4.537 -2.073 1.00 0.00 H new ATOM 0 HB3 LYS A 278 -1.992 6.039 -2.629 1.00 0.00 H new ATOM 0 HG2 LYS A 278 -3.396 4.826 -4.859 1.00 0.00 H new ATOM 0 HG3 LYS A 278 -4.473 4.833 -3.477 1.00 0.00 H new ATOM 0 HD2 LYS A 278 -4.389 7.197 -3.247 1.00 0.00 H new ATOM 0 HD3 LYS A 278 -2.859 7.328 -4.092 1.00 0.00 H new ATOM 0 HE2 LYS A 278 -4.056 7.793 -6.005 1.00 0.00 H new ATOM 0 HE3 LYS A 278 -4.614 6.132 -5.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 278 -6.490 7.688 -5.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 278 -6.376 6.763 -4.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 278 -5.834 8.373 -4.428 1.00 0.00 H new ATOM 225 N GLN A 279 0.027 3.839 -1.720 1.00 0.00 N ATOM 226 CA GLN A 279 1.274 3.859 -0.909 1.00 0.00 C ATOM 227 C GLN A 279 2.437 3.246 -1.692 1.00 0.00 C ATOM 228 O GLN A 279 3.509 3.811 -1.775 1.00 0.00 O ATOM 229 CB GLN A 279 0.957 3.012 0.324 1.00 0.00 C ATOM 230 CG GLN A 279 0.374 3.904 1.422 1.00 0.00 C ATOM 231 CD GLN A 279 1.251 3.812 2.673 1.00 0.00 C ATOM 232 OE1 GLN A 279 2.307 3.213 2.645 1.00 0.00 O ATOM 233 NE2 GLN A 279 0.854 4.384 3.776 1.00 0.00 N ATOM 0 H GLN A 279 -0.780 3.415 -1.262 1.00 0.00 H new ATOM 0 HA GLN A 279 1.573 4.874 -0.646 1.00 0.00 H new ATOM 0 HB2 GLN A 279 0.248 2.226 0.065 1.00 0.00 H new ATOM 0 HB3 GLN A 279 1.861 2.520 0.683 1.00 0.00 H new ATOM 0 HG2 GLN A 279 0.321 4.937 1.077 1.00 0.00 H new ATOM 0 HG3 GLN A 279 -0.644 3.594 1.655 1.00 0.00 H new ATOM 0 HE21 GLN A 279 -0.033 4.887 3.799 1.00 0.00 H new ATOM 0 HE22 GLN A 279 1.431 4.328 4.616 1.00 0.00 H new ATOM 242 N MET A 280 2.237 2.089 -2.261 1.00 0.00 N ATOM 243 CA MET A 280 3.335 1.436 -3.030 1.00 0.00 C ATOM 244 C MET A 280 3.692 2.268 -4.264 1.00 0.00 C ATOM 245 O MET A 280 4.816 2.695 -4.428 1.00 0.00 O ATOM 246 CB MET A 280 2.775 0.074 -3.440 1.00 0.00 C ATOM 247 CG MET A 280 2.624 -0.809 -2.199 1.00 0.00 C ATOM 248 SD MET A 280 1.418 -2.117 -2.529 1.00 0.00 S ATOM 249 CE MET A 280 2.262 -2.846 -3.954 1.00 0.00 C ATOM 0 H MET A 280 1.361 1.567 -2.227 1.00 0.00 H new ATOM 0 HA MET A 280 4.248 1.341 -2.443 1.00 0.00 H new ATOM 0 HB2 MET A 280 1.810 0.198 -3.931 1.00 0.00 H new ATOM 0 HB3 MET A 280 3.440 -0.403 -4.160 1.00 0.00 H new ATOM 0 HG2 MET A 280 3.586 -1.246 -1.932 1.00 0.00 H new ATOM 0 HG3 MET A 280 2.300 -0.208 -1.349 1.00 0.00 H new ATOM 0 HE1 MET A 280 2.053 -3.915 -3.993 1.00 0.00 H new ATOM 0 HE2 MET A 280 1.905 -2.373 -4.869 1.00 0.00 H new ATOM 0 HE3 MET A 280 3.337 -2.689 -3.860 1.00 0.00 H new ATOM 259 N ASP A 281 2.747 2.503 -5.134 1.00 0.00 N ATOM 260 CA ASP A 281 3.043 3.308 -6.354 1.00 0.00 C ATOM 261 C ASP A 281 3.911 4.517 -5.992 1.00 0.00 C ATOM 262 O ASP A 281 4.997 4.692 -6.507 1.00 0.00 O ATOM 263 CB ASP A 281 1.677 3.764 -6.869 1.00 0.00 C ATOM 264 CG ASP A 281 1.727 3.906 -8.392 1.00 0.00 C ATOM 265 OD1 ASP A 281 1.517 2.912 -9.067 1.00 0.00 O ATOM 266 OD2 ASP A 281 1.975 5.006 -8.857 1.00 0.00 O ATOM 0 H ASP A 281 1.785 2.173 -5.053 1.00 0.00 H new ATOM 0 HA ASP A 281 3.591 2.736 -7.103 1.00 0.00 H new ATOM 0 HB2 ASP A 281 0.910 3.043 -6.585 1.00 0.00 H new ATOM 0 HB3 ASP A 281 1.404 4.716 -6.413 1.00 0.00 H new ATOM 271 N ALA A 282 3.436 5.354 -5.111 1.00 0.00 N ATOM 272 CA ALA A 282 4.224 6.552 -4.717 1.00 0.00 C ATOM 273 C ALA A 282 5.598 6.142 -4.176 1.00 0.00 C ATOM 274 O ALA A 282 6.618 6.422 -4.771 1.00 0.00 O ATOM 275 CB ALA A 282 3.397 7.224 -3.621 1.00 0.00 C ATOM 0 H ALA A 282 2.533 5.258 -4.647 1.00 0.00 H new ATOM 0 HA ALA A 282 4.407 7.217 -5.561 1.00 0.00 H new ATOM 0 HB1 ALA A 282 3.912 8.120 -3.275 1.00 0.00 H new ATOM 0 HB2 ALA A 282 2.420 7.498 -4.019 1.00 0.00 H new ATOM 0 HB3 ALA A 282 3.269 6.534 -2.787 1.00 0.00 H new ATOM 281 N ALA A 283 5.632 5.485 -3.048 1.00 0.00 N ATOM 282 CA ALA A 283 6.940 5.066 -2.463 1.00 0.00 C ATOM 283 C ALA A 283 7.719 4.188 -3.448 1.00 0.00 C ATOM 284 O ALA A 283 8.898 3.947 -3.277 1.00 0.00 O ATOM 285 CB ALA A 283 6.574 4.269 -1.211 1.00 0.00 C ATOM 0 H ALA A 283 4.810 5.220 -2.505 1.00 0.00 H new ATOM 0 HA ALA A 283 7.578 5.921 -2.237 1.00 0.00 H new ATOM 0 HB1 ALA A 283 7.484 3.924 -0.721 1.00 0.00 H new ATOM 0 HB2 ALA A 283 6.012 4.904 -0.527 1.00 0.00 H new ATOM 0 HB3 ALA A 283 5.965 3.410 -1.492 1.00 0.00 H new ATOM 291 N ALA A 284 7.073 3.703 -4.471 1.00 0.00 N ATOM 292 CA ALA A 284 7.781 2.836 -5.455 1.00 0.00 C ATOM 293 C ALA A 284 8.632 3.683 -6.404 1.00 0.00 C ATOM 294 O ALA A 284 9.838 3.759 -6.271 1.00 0.00 O ATOM 295 CB ALA A 284 6.670 2.123 -6.227 1.00 0.00 C ATOM 0 H ALA A 284 6.086 3.869 -4.669 1.00 0.00 H new ATOM 0 HA ALA A 284 8.458 2.134 -4.968 1.00 0.00 H new ATOM 0 HB1 ALA A 284 7.112 1.463 -6.974 1.00 0.00 H new ATOM 0 HB2 ALA A 284 6.066 1.536 -5.536 1.00 0.00 H new ATOM 0 HB3 ALA A 284 6.040 2.861 -6.723 1.00 0.00 H new ATOM 301 N SER A 285 8.017 4.312 -7.367 1.00 0.00 N ATOM 302 CA SER A 285 8.792 5.144 -8.330 1.00 0.00 C ATOM 303 C SER A 285 9.013 6.553 -7.772 1.00 0.00 C ATOM 304 O SER A 285 8.863 7.536 -8.470 1.00 0.00 O ATOM 305 CB SER A 285 7.929 5.196 -9.589 1.00 0.00 C ATOM 306 OG SER A 285 8.769 5.316 -10.730 1.00 0.00 O ATOM 0 H SER A 285 7.010 4.286 -7.529 1.00 0.00 H new ATOM 0 HA SER A 285 9.780 4.728 -8.526 1.00 0.00 H new ATOM 0 HB2 SER A 285 7.321 4.295 -9.664 1.00 0.00 H new ATOM 0 HB3 SER A 285 7.242 6.041 -9.538 1.00 0.00 H new ATOM 0 HG SER A 285 8.218 5.348 -11.540 1.00 0.00 H new ATOM 312 N LYS A 286 9.369 6.661 -6.521 1.00 0.00 N ATOM 313 CA LYS A 286 9.599 8.008 -5.930 1.00 0.00 C ATOM 314 C LYS A 286 10.942 8.048 -5.195 1.00 0.00 C ATOM 315 O LYS A 286 11.363 9.080 -4.710 1.00 0.00 O ATOM 316 CB LYS A 286 8.443 8.218 -4.953 1.00 0.00 C ATOM 317 CG LYS A 286 8.590 9.579 -4.270 1.00 0.00 C ATOM 318 CD LYS A 286 7.312 10.394 -4.476 1.00 0.00 C ATOM 319 CE LYS A 286 7.424 11.719 -3.720 1.00 0.00 C ATOM 320 NZ LYS A 286 8.371 12.541 -4.523 1.00 0.00 N ATOM 0 H LYS A 286 9.510 5.876 -5.885 1.00 0.00 H new ATOM 0 HA LYS A 286 9.635 8.788 -6.690 1.00 0.00 H new ATOM 0 HB2 LYS A 286 7.492 8.166 -5.483 1.00 0.00 H new ATOM 0 HB3 LYS A 286 8.436 7.424 -4.206 1.00 0.00 H new ATOM 0 HG2 LYS A 286 8.781 9.445 -3.205 1.00 0.00 H new ATOM 0 HG3 LYS A 286 9.446 10.114 -4.682 1.00 0.00 H new ATOM 0 HD2 LYS A 286 7.155 10.581 -5.538 1.00 0.00 H new ATOM 0 HD3 LYS A 286 6.448 9.832 -4.120 1.00 0.00 H new ATOM 0 HE2 LYS A 286 6.453 12.207 -3.633 1.00 0.00 H new ATOM 0 HE3 LYS A 286 7.796 11.565 -2.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 286 9.204 12.775 -3.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 286 8.671 12.005 -5.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 286 7.901 13.419 -4.823 1.00 0.00 H new ATOM 334 N GLY A 287 11.618 6.936 -5.108 1.00 0.00 N ATOM 335 CA GLY A 287 12.932 6.918 -4.404 1.00 0.00 C ATOM 336 C GLY A 287 12.844 6.006 -3.180 1.00 0.00 C ATOM 337 O GLY A 287 13.691 5.164 -2.960 1.00 0.00 O ATOM 0 H GLY A 287 11.319 6.040 -5.493 1.00 0.00 H new ATOM 0 HA2 GLY A 287 13.713 6.565 -5.078 1.00 0.00 H new ATOM 0 HA3 GLY A 287 13.207 7.928 -4.099 1.00 0.00 H new ATOM 341 N ASP A 288 11.824 6.167 -2.382 1.00 0.00 N ATOM 342 CA ASP A 288 11.682 5.307 -1.173 1.00 0.00 C ATOM 343 C ASP A 288 11.110 3.943 -1.564 1.00 0.00 C ATOM 344 O ASP A 288 10.080 3.526 -1.073 1.00 0.00 O ATOM 345 CB ASP A 288 10.709 6.059 -0.264 1.00 0.00 C ATOM 346 CG ASP A 288 10.666 5.386 1.108 1.00 0.00 C ATOM 347 OD1 ASP A 288 11.178 4.285 1.222 1.00 0.00 O ATOM 348 OD2 ASP A 288 10.123 5.984 2.023 1.00 0.00 O ATOM 0 H ASP A 288 11.084 6.856 -2.515 1.00 0.00 H new ATOM 0 HA ASP A 288 12.637 5.122 -0.680 1.00 0.00 H new ATOM 0 HB2 ASP A 288 11.021 7.098 -0.161 1.00 0.00 H new ATOM 0 HB3 ASP A 288 9.713 6.067 -0.708 1.00 0.00 H new ATOM 353 N VAL A 289 11.771 3.247 -2.449 1.00 0.00 N ATOM 354 CA VAL A 289 11.266 1.911 -2.877 1.00 0.00 C ATOM 355 C VAL A 289 11.281 0.936 -1.697 1.00 0.00 C ATOM 356 O VAL A 289 10.603 -0.073 -1.706 1.00 0.00 O ATOM 357 CB VAL A 289 12.236 1.453 -3.966 1.00 0.00 C ATOM 358 CG1 VAL A 289 11.639 0.256 -4.709 1.00 0.00 C ATOM 359 CG2 VAL A 289 12.471 2.599 -4.952 1.00 0.00 C ATOM 0 H VAL A 289 12.639 3.546 -2.894 1.00 0.00 H new ATOM 0 HA VAL A 289 10.238 1.953 -3.238 1.00 0.00 H new ATOM 0 HB VAL A 289 13.184 1.163 -3.512 1.00 0.00 H new ATOM 0 HG11 VAL A 289 12.330 -0.071 -5.486 1.00 0.00 H new ATOM 0 HG12 VAL A 289 11.469 -0.560 -4.007 1.00 0.00 H new ATOM 0 HG13 VAL A 289 10.692 0.546 -5.164 1.00 0.00 H new ATOM 0 HG21 VAL A 289 13.163 2.274 -5.729 1.00 0.00 H new ATOM 0 HG22 VAL A 289 11.523 2.888 -5.407 1.00 0.00 H new ATOM 0 HG23 VAL A 289 12.895 3.453 -4.423 1.00 0.00 H new ATOM 369 N GLU A 290 12.045 1.228 -0.680 1.00 0.00 N ATOM 370 CA GLU A 290 12.097 0.318 0.495 1.00 0.00 C ATOM 371 C GLU A 290 10.684 -0.134 0.866 1.00 0.00 C ATOM 372 O GLU A 290 10.320 -1.281 0.695 1.00 0.00 O ATOM 373 CB GLU A 290 12.702 1.161 1.617 1.00 0.00 C ATOM 374 CG GLU A 290 13.133 0.250 2.768 1.00 0.00 C ATOM 375 CD GLU A 290 14.367 -0.552 2.351 1.00 0.00 C ATOM 376 OE1 GLU A 290 14.815 -0.372 1.230 1.00 0.00 O ATOM 377 OE2 GLU A 290 14.844 -1.331 3.159 1.00 0.00 O ATOM 0 H GLU A 290 12.635 2.058 -0.614 1.00 0.00 H new ATOM 0 HA GLU A 290 12.681 -0.582 0.301 1.00 0.00 H new ATOM 0 HB2 GLU A 290 13.559 1.721 1.243 1.00 0.00 H new ATOM 0 HB3 GLU A 290 11.974 1.891 1.971 1.00 0.00 H new ATOM 0 HG2 GLU A 290 13.356 0.846 3.653 1.00 0.00 H new ATOM 0 HG3 GLU A 290 12.320 -0.426 3.035 1.00 0.00 H new ATOM 384 N THR A 291 9.886 0.764 1.371 1.00 0.00 N ATOM 385 CA THR A 291 8.496 0.400 1.754 1.00 0.00 C ATOM 386 C THR A 291 7.774 -0.250 0.571 1.00 0.00 C ATOM 387 O THR A 291 7.110 -1.258 0.712 1.00 0.00 O ATOM 388 CB THR A 291 7.830 1.726 2.125 1.00 0.00 C ATOM 389 OG1 THR A 291 8.353 2.187 3.363 1.00 0.00 O ATOM 390 CG2 THR A 291 6.319 1.524 2.250 1.00 0.00 C ATOM 0 H THR A 291 10.139 1.738 1.535 1.00 0.00 H new ATOM 0 HA THR A 291 8.467 -0.316 2.575 1.00 0.00 H new ATOM 0 HB THR A 291 8.032 2.464 1.348 1.00 0.00 H new ATOM 0 HG1 THR A 291 7.928 3.038 3.601 1.00 0.00 H new ATOM 0 HG21 THR A 291 5.846 2.470 2.514 1.00 0.00 H new ATOM 0 HG22 THR A 291 5.919 1.172 1.299 1.00 0.00 H new ATOM 0 HG23 THR A 291 6.113 0.786 3.026 1.00 0.00 H new ATOM 398 N TYR A 292 7.899 0.322 -0.596 1.00 0.00 N ATOM 399 CA TYR A 292 7.221 -0.257 -1.791 1.00 0.00 C ATOM 400 C TYR A 292 7.436 -1.771 -1.844 1.00 0.00 C ATOM 401 O TYR A 292 6.515 -2.545 -1.669 1.00 0.00 O ATOM 402 CB TYR A 292 7.887 0.421 -2.989 1.00 0.00 C ATOM 403 CG TYR A 292 7.293 -0.117 -4.268 1.00 0.00 C ATOM 404 CD1 TYR A 292 5.944 -0.491 -4.312 1.00 0.00 C ATOM 405 CD2 TYR A 292 8.091 -0.241 -5.412 1.00 0.00 C ATOM 406 CE1 TYR A 292 5.394 -0.988 -5.500 1.00 0.00 C ATOM 407 CE2 TYR A 292 7.541 -0.739 -6.599 1.00 0.00 C ATOM 408 CZ TYR A 292 6.193 -1.113 -6.643 1.00 0.00 C ATOM 409 OH TYR A 292 5.651 -1.604 -7.814 1.00 0.00 O ATOM 0 H TYR A 292 8.442 1.167 -0.774 1.00 0.00 H new ATOM 0 HA TYR A 292 6.144 -0.092 -1.774 1.00 0.00 H new ATOM 0 HB2 TYR A 292 7.744 1.500 -2.935 1.00 0.00 H new ATOM 0 HB3 TYR A 292 8.962 0.241 -2.971 1.00 0.00 H new ATOM 0 HD1 TYR A 292 5.328 -0.396 -3.430 1.00 0.00 H new ATOM 0 HD2 TYR A 292 9.131 0.048 -5.378 1.00 0.00 H new ATOM 0 HE1 TYR A 292 4.353 -1.275 -5.535 1.00 0.00 H new ATOM 0 HE2 TYR A 292 8.157 -0.835 -7.481 1.00 0.00 H new ATOM 0 HH TYR A 292 6.341 -1.625 -8.510 1.00 0.00 H new ATOM 419 N ARG A 293 8.645 -2.200 -2.086 1.00 0.00 N ATOM 420 CA ARG A 293 8.920 -3.663 -2.152 1.00 0.00 C ATOM 421 C ARG A 293 8.175 -4.395 -1.033 1.00 0.00 C ATOM 422 O ARG A 293 7.372 -5.273 -1.279 1.00 0.00 O ATOM 423 CB ARG A 293 10.432 -3.789 -1.963 1.00 0.00 C ATOM 424 CG ARG A 293 10.842 -5.257 -2.091 1.00 0.00 C ATOM 425 CD ARG A 293 12.245 -5.448 -1.510 1.00 0.00 C ATOM 426 NE ARG A 293 12.643 -6.827 -1.909 1.00 0.00 N ATOM 427 CZ ARG A 293 13.882 -7.217 -1.772 1.00 0.00 C ATOM 428 NH1 ARG A 293 14.778 -6.402 -1.285 1.00 0.00 N ATOM 429 NH2 ARG A 293 14.225 -8.426 -2.124 1.00 0.00 N ATOM 0 H ARG A 293 9.455 -1.599 -2.241 1.00 0.00 H new ATOM 0 HA ARG A 293 8.588 -4.103 -3.092 1.00 0.00 H new ATOM 0 HB2 ARG A 293 10.954 -3.189 -2.708 1.00 0.00 H new ATOM 0 HB3 ARG A 293 10.720 -3.404 -0.985 1.00 0.00 H new ATOM 0 HG2 ARG A 293 10.129 -5.892 -1.564 1.00 0.00 H new ATOM 0 HG3 ARG A 293 10.826 -5.560 -3.138 1.00 0.00 H new ATOM 0 HD2 ARG A 293 12.940 -4.707 -1.905 1.00 0.00 H new ATOM 0 HD3 ARG A 293 12.242 -5.336 -0.426 1.00 0.00 H new ATOM 0 HE ARG A 293 11.947 -7.468 -2.290 1.00 0.00 H new ATOM 0 HH11 ARG A 293 14.512 -5.457 -1.010 1.00 0.00 H new ATOM 0 HH12 ARG A 293 15.744 -6.711 -1.180 1.00 0.00 H new ATOM 0 HH21 ARG A 293 13.526 -9.064 -2.505 1.00 0.00 H new ATOM 0 HH22 ARG A 293 15.192 -8.733 -2.018 1.00 0.00 H new ATOM 443 N LYS A 294 8.435 -4.040 0.196 1.00 0.00 N ATOM 444 CA LYS A 294 7.744 -4.713 1.331 1.00 0.00 C ATOM 445 C LYS A 294 6.260 -4.906 1.010 1.00 0.00 C ATOM 446 O LYS A 294 5.796 -6.013 0.818 1.00 0.00 O ATOM 447 CB LYS A 294 7.916 -3.763 2.517 1.00 0.00 C ATOM 448 CG LYS A 294 9.238 -4.063 3.226 1.00 0.00 C ATOM 449 CD LYS A 294 9.616 -2.881 4.121 1.00 0.00 C ATOM 450 CE LYS A 294 10.682 -3.322 5.127 1.00 0.00 C ATOM 451 NZ LYS A 294 11.694 -4.055 4.317 1.00 0.00 N ATOM 0 H LYS A 294 9.097 -3.312 0.463 1.00 0.00 H new ATOM 0 HA LYS A 294 8.155 -5.702 1.536 1.00 0.00 H new ATOM 0 HB2 LYS A 294 7.903 -2.729 2.173 1.00 0.00 H new ATOM 0 HB3 LYS A 294 7.084 -3.878 3.212 1.00 0.00 H new ATOM 0 HG2 LYS A 294 9.145 -4.970 3.823 1.00 0.00 H new ATOM 0 HG3 LYS A 294 10.024 -4.243 2.492 1.00 0.00 H new ATOM 0 HD2 LYS A 294 9.992 -2.057 3.514 1.00 0.00 H new ATOM 0 HD3 LYS A 294 8.735 -2.513 4.647 1.00 0.00 H new ATOM 0 HE2 LYS A 294 11.126 -2.465 5.633 1.00 0.00 H new ATOM 0 HE3 LYS A 294 10.255 -3.962 5.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 294 12.619 -4.006 4.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 294 11.407 -5.050 4.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 294 11.764 -3.622 3.374 1.00 0.00 H new ATOM 465 N LEU A 295 5.512 -3.838 0.954 1.00 0.00 N ATOM 466 CA LEU A 295 4.059 -3.956 0.649 1.00 0.00 C ATOM 467 C LEU A 295 3.831 -4.976 -0.469 1.00 0.00 C ATOM 468 O LEU A 295 3.111 -5.941 -0.303 1.00 0.00 O ATOM 469 CB LEU A 295 3.634 -2.561 0.195 1.00 0.00 C ATOM 470 CG LEU A 295 2.669 -1.965 1.220 1.00 0.00 C ATOM 471 CD1 LEU A 295 1.416 -2.838 1.309 1.00 0.00 C ATOM 472 CD2 LEU A 295 3.350 -1.914 2.590 1.00 0.00 C ATOM 0 H LEU A 295 5.846 -2.886 1.107 1.00 0.00 H new ATOM 0 HA LEU A 295 3.485 -4.297 1.510 1.00 0.00 H new ATOM 0 HB2 LEU A 295 4.509 -1.920 0.087 1.00 0.00 H new ATOM 0 HB3 LEU A 295 3.155 -2.615 -0.783 1.00 0.00 H new ATOM 0 HG LEU A 295 2.390 -0.957 0.913 1.00 0.00 H new ATOM 0 HD11 LEU A 295 0.728 -2.413 2.040 1.00 0.00 H new ATOM 0 HD12 LEU A 295 0.931 -2.878 0.334 1.00 0.00 H new ATOM 0 HD13 LEU A 295 1.696 -3.846 1.617 1.00 0.00 H new ATOM 0 HD21 LEU A 295 2.663 -1.489 3.322 1.00 0.00 H new ATOM 0 HD22 LEU A 295 3.628 -2.923 2.896 1.00 0.00 H new ATOM 0 HD23 LEU A 295 4.244 -1.294 2.529 1.00 0.00 H new ATOM 484 N LYS A 296 4.436 -4.768 -1.607 1.00 0.00 N ATOM 485 CA LYS A 296 4.253 -5.723 -2.735 1.00 0.00 C ATOM 486 C LYS A 296 4.298 -7.162 -2.219 1.00 0.00 C ATOM 487 O LYS A 296 3.326 -7.887 -2.292 1.00 0.00 O ATOM 488 CB LYS A 296 5.425 -5.452 -3.679 1.00 0.00 C ATOM 489 CG LYS A 296 4.897 -5.265 -5.102 1.00 0.00 C ATOM 490 CD LYS A 296 5.741 -4.216 -5.827 1.00 0.00 C ATOM 491 CE LYS A 296 6.908 -4.903 -6.539 1.00 0.00 C ATOM 492 NZ LYS A 296 6.594 -4.787 -7.990 1.00 0.00 N ATOM 0 H LYS A 296 5.049 -3.977 -1.804 1.00 0.00 H new ATOM 0 HA LYS A 296 3.292 -5.595 -3.234 1.00 0.00 H new ATOM 0 HB2 LYS A 296 5.965 -4.561 -3.360 1.00 0.00 H new ATOM 0 HB3 LYS A 296 6.131 -6.282 -3.647 1.00 0.00 H new ATOM 0 HG2 LYS A 296 4.932 -6.211 -5.641 1.00 0.00 H new ATOM 0 HG3 LYS A 296 3.853 -4.952 -5.076 1.00 0.00 H new ATOM 0 HD2 LYS A 296 5.128 -3.676 -6.549 1.00 0.00 H new ATOM 0 HD3 LYS A 296 6.117 -3.481 -5.115 1.00 0.00 H new ATOM 0 HE2 LYS A 296 7.856 -4.420 -6.300 1.00 0.00 H new ATOM 0 HE3 LYS A 296 6.996 -5.946 -6.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 296 7.415 -5.097 -8.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 296 5.775 -5.386 -8.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 296 6.373 -3.797 -8.219 1.00 0.00 H new ATOM 506 N ALA A 297 5.418 -7.581 -1.695 1.00 0.00 N ATOM 507 CA ALA A 297 5.522 -8.971 -1.171 1.00 0.00 C ATOM 508 C ALA A 297 4.258 -9.329 -0.386 1.00 0.00 C ATOM 509 O ALA A 297 3.482 -10.173 -0.788 1.00 0.00 O ATOM 510 CB ALA A 297 6.742 -8.959 -0.251 1.00 0.00 C ATOM 0 H ALA A 297 6.265 -7.020 -1.608 1.00 0.00 H new ATOM 0 HA ALA A 297 5.624 -9.709 -1.967 1.00 0.00 H new ATOM 0 HB1 ALA A 297 6.886 -9.952 0.176 1.00 0.00 H new ATOM 0 HB2 ALA A 297 7.626 -8.679 -0.823 1.00 0.00 H new ATOM 0 HB3 ALA A 297 6.585 -8.238 0.552 1.00 0.00 H new ATOM 516 N LYS A 298 4.043 -8.690 0.731 1.00 0.00 N ATOM 517 CA LYS A 298 2.831 -8.990 1.538 1.00 0.00 C ATOM 518 C LYS A 298 1.583 -8.958 0.651 1.00 0.00 C ATOM 519 O LYS A 298 0.803 -9.889 0.626 1.00 0.00 O ATOM 520 CB LYS A 298 2.771 -7.881 2.589 1.00 0.00 C ATOM 521 CG LYS A 298 2.514 -8.496 3.966 1.00 0.00 C ATOM 522 CD LYS A 298 1.755 -7.496 4.840 1.00 0.00 C ATOM 523 CE LYS A 298 1.779 -7.967 6.295 1.00 0.00 C ATOM 524 NZ LYS A 298 1.072 -6.900 7.057 1.00 0.00 N ATOM 0 H LYS A 298 4.656 -7.973 1.118 1.00 0.00 H new ATOM 0 HA LYS A 298 2.872 -9.980 1.992 1.00 0.00 H new ATOM 0 HB2 LYS A 298 3.707 -7.322 2.597 1.00 0.00 H new ATOM 0 HB3 LYS A 298 1.980 -7.173 2.342 1.00 0.00 H new ATOM 0 HG2 LYS A 298 1.938 -9.415 3.863 1.00 0.00 H new ATOM 0 HG3 LYS A 298 3.459 -8.763 4.438 1.00 0.00 H new ATOM 0 HD2 LYS A 298 2.209 -6.508 4.759 1.00 0.00 H new ATOM 0 HD3 LYS A 298 0.726 -7.403 4.494 1.00 0.00 H new ATOM 0 HE2 LYS A 298 1.279 -8.929 6.407 1.00 0.00 H new ATOM 0 HE3 LYS A 298 2.801 -8.096 6.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 298 1.048 -7.152 8.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 298 1.574 -5.997 6.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 298 0.100 -6.805 6.700 1.00 0.00 H new ATOM 538 N LEU A 299 1.389 -7.890 -0.076 1.00 0.00 N ATOM 539 CA LEU A 299 0.193 -7.791 -0.960 1.00 0.00 C ATOM 540 C LEU A 299 -0.057 -9.124 -1.673 1.00 0.00 C ATOM 541 O LEU A 299 -1.185 -9.515 -1.897 1.00 0.00 O ATOM 542 CB LEU A 299 0.538 -6.699 -1.974 1.00 0.00 C ATOM 543 CG LEU A 299 -0.627 -6.522 -2.949 1.00 0.00 C ATOM 544 CD1 LEU A 299 -1.912 -6.252 -2.165 1.00 0.00 C ATOM 545 CD2 LEU A 299 -0.340 -5.340 -3.878 1.00 0.00 C ATOM 0 H LEU A 299 2.009 -7.080 -0.095 1.00 0.00 H new ATOM 0 HA LEU A 299 -0.712 -7.558 -0.400 1.00 0.00 H new ATOM 0 HB2 LEU A 299 0.741 -5.760 -1.459 1.00 0.00 H new ATOM 0 HB3 LEU A 299 1.444 -6.966 -2.518 1.00 0.00 H new ATOM 0 HG LEU A 299 -0.746 -7.430 -3.541 1.00 0.00 H new ATOM 0 HD11 LEU A 299 -2.742 -6.126 -2.860 1.00 0.00 H new ATOM 0 HD12 LEU A 299 -2.118 -7.093 -1.503 1.00 0.00 H new ATOM 0 HD13 LEU A 299 -1.793 -5.345 -1.573 1.00 0.00 H new ATOM 0 HD21 LEU A 299 -1.170 -5.214 -4.573 1.00 0.00 H new ATOM 0 HD22 LEU A 299 -0.221 -4.433 -3.286 1.00 0.00 H new ATOM 0 HD23 LEU A 299 0.576 -5.531 -4.437 1.00 0.00 H new ATOM 557 N LYS A 300 0.985 -9.823 -2.031 1.00 0.00 N ATOM 558 CA LYS A 300 0.801 -11.127 -2.730 1.00 0.00 C ATOM 559 C LYS A 300 -0.291 -11.947 -2.036 1.00 0.00 C ATOM 560 O LYS A 300 -0.928 -12.786 -2.640 1.00 0.00 O ATOM 561 CB LYS A 300 2.156 -11.830 -2.625 1.00 0.00 C ATOM 562 CG LYS A 300 3.184 -11.082 -3.477 1.00 0.00 C ATOM 563 CD LYS A 300 4.145 -12.084 -4.120 1.00 0.00 C ATOM 564 CE LYS A 300 5.587 -11.610 -3.918 1.00 0.00 C ATOM 565 NZ LYS A 300 5.930 -12.006 -2.524 1.00 0.00 N ATOM 0 H LYS A 300 1.954 -9.549 -1.870 1.00 0.00 H new ATOM 0 HA LYS A 300 0.491 -11.001 -3.767 1.00 0.00 H new ATOM 0 HB2 LYS A 300 2.482 -11.861 -1.585 1.00 0.00 H new ATOM 0 HB3 LYS A 300 2.070 -12.863 -2.963 1.00 0.00 H new ATOM 0 HG2 LYS A 300 2.678 -10.501 -4.249 1.00 0.00 H new ATOM 0 HG3 LYS A 300 3.739 -10.376 -2.859 1.00 0.00 H new ATOM 0 HD2 LYS A 300 4.010 -13.070 -3.676 1.00 0.00 H new ATOM 0 HD3 LYS A 300 3.928 -12.181 -5.184 1.00 0.00 H new ATOM 0 HE2 LYS A 300 6.260 -12.076 -4.638 1.00 0.00 H new ATOM 0 HE3 LYS A 300 5.671 -10.532 -4.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 300 6.799 -11.517 -2.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 300 5.151 -11.744 -1.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 300 6.080 -13.034 -2.482 1.00 0.00 H new ATOM 579 N GLY A 301 -0.512 -11.706 -0.772 1.00 0.00 N ATOM 580 CA GLY A 301 -1.564 -12.468 -0.041 1.00 0.00 C ATOM 581 C GLY A 301 -2.112 -11.611 1.102 1.00 0.00 C ATOM 582 O GLY A 301 -1.785 -11.813 2.254 1.00 0.00 O ATOM 0 H GLY A 301 -0.010 -11.015 -0.215 1.00 0.00 H new ATOM 0 HA2 GLY A 301 -2.369 -12.743 -0.722 1.00 0.00 H new ATOM 0 HA3 GLY A 301 -1.149 -13.396 0.352 1.00 0.00 H new ATOM 586 N ILE A 302 -2.943 -10.652 0.792 1.00 0.00 N ATOM 587 CA ILE A 302 -3.509 -9.781 1.863 1.00 0.00 C ATOM 588 C ILE A 302 -4.236 -10.632 2.908 1.00 0.00 C ATOM 589 O ILE A 302 -5.259 -11.228 2.636 1.00 0.00 O ATOM 590 CB ILE A 302 -4.493 -8.857 1.145 1.00 0.00 C ATOM 591 CG1 ILE A 302 -3.716 -7.832 0.315 1.00 0.00 C ATOM 592 CG2 ILE A 302 -5.354 -8.126 2.178 1.00 0.00 C ATOM 593 CD1 ILE A 302 -3.029 -6.833 1.248 1.00 0.00 C ATOM 0 H ILE A 302 -3.254 -10.434 -0.155 1.00 0.00 H new ATOM 0 HA ILE A 302 -2.737 -9.222 2.391 1.00 0.00 H new ATOM 0 HB ILE A 302 -5.133 -9.448 0.490 1.00 0.00 H new ATOM 0 HG12 ILE A 302 -2.974 -8.337 -0.304 1.00 0.00 H new ATOM 0 HG13 ILE A 302 -4.392 -7.308 -0.361 1.00 0.00 H new ATOM 0 HG21 ILE A 302 -6.056 -7.467 1.666 1.00 0.00 H new ATOM 0 HG22 ILE A 302 -5.907 -8.854 2.772 1.00 0.00 H new ATOM 0 HG23 ILE A 302 -4.714 -7.535 2.833 1.00 0.00 H new ATOM 0 HD11 ILE A 302 -2.476 -6.104 0.656 1.00 0.00 H new ATOM 0 HD12 ILE A 302 -3.780 -6.319 1.848 1.00 0.00 H new ATOM 0 HD13 ILE A 302 -2.341 -7.364 1.906 1.00 0.00 H new ATOM 605 N ARG A 303 -3.715 -10.692 4.103 1.00 0.00 N ATOM 606 CA ARG A 303 -4.376 -11.503 5.166 1.00 0.00 C ATOM 607 C ARG A 303 -5.887 -11.255 5.158 1.00 0.00 C ATOM 608 O ARG A 303 -6.614 -12.161 4.785 1.00 0.00 O ATOM 609 CB ARG A 303 -3.759 -11.014 6.476 1.00 0.00 C ATOM 610 CG ARG A 303 -4.521 -11.619 7.658 1.00 0.00 C ATOM 611 CD ARG A 303 -3.576 -11.768 8.852 1.00 0.00 C ATOM 612 NE ARG A 303 -4.233 -11.016 9.958 1.00 0.00 N ATOM 613 CZ ARG A 303 -4.184 -9.711 9.984 1.00 0.00 C ATOM 614 NH1 ARG A 303 -3.560 -9.058 9.040 1.00 0.00 N ATOM 615 NH2 ARG A 303 -4.760 -9.058 10.955 1.00 0.00 N ATOM 616 OXT ARG A 303 -6.290 -10.164 5.525 1.00 0.00 O ATOM 0 H ARG A 303 -2.860 -10.215 4.390 1.00 0.00 H new ATOM 0 HA ARG A 303 -4.230 -12.573 5.021 1.00 0.00 H new ATOM 0 HB2 ARG A 303 -2.708 -11.299 6.524 1.00 0.00 H new ATOM 0 HB3 ARG A 303 -3.797 -9.926 6.524 1.00 0.00 H new ATOM 0 HG2 ARG A 303 -5.364 -10.982 7.925 1.00 0.00 H new ATOM 0 HG3 ARG A 303 -4.931 -12.590 7.381 1.00 0.00 H new ATOM 0 HD2 ARG A 303 -3.435 -12.816 9.116 1.00 0.00 H new ATOM 0 HD3 ARG A 303 -2.590 -11.361 8.629 1.00 0.00 H new ATOM 0 HE ARG A 303 -4.722 -11.522 10.697 1.00 0.00 H new ATOM 0 HH11 ARG A 303 -3.109 -9.567 8.280 1.00 0.00 H new ATOM 0 HH12 ARG A 303 -3.524 -8.039 9.063 1.00 0.00 H new ATOM 0 HH21 ARG A 303 -5.248 -9.566 11.693 1.00 0.00 H new ATOM 0 HH22 ARG A 303 -4.723 -8.039 10.977 1.00 0.00 H new TER 630 ARG A 303