USER MOD reduce.3.24.130724 H: found=0, std=0, add=324, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 327 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 265 THR OG1 : rot 180:sc= 0 USER MOD Single : A 269 SER OG : rot 180:sc= -0.0454 USER MOD Single : A 272 ASN : amide:sc= -0.115 X(o=-0.12,f=-0.41) 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= -0.457 X(o=-0.46,f=-0.25) USER MOD Single : A 280 MET CE :methyl -132:sc= -0.0289 (180deg=-0.279) USER MOD Single : A 285 SER OG : rot 180:sc= 0 USER MOD Single : A 286 LYS NZ :NH3+ -162:sc= -0.0136 (180deg=-0.407) USER MOD Single : A 291 THR OG1 : rot 180:sc= 0 USER MOD Single : A 292 TYR OH : rot 180:sc= 0 USER MOD Single : A 294 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 296 LYS NZ :NH3+ 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 5.360 10.203 -9.682 1.00 0.00 N ATOM 2 CA ILE A 264 6.643 9.472 -9.896 1.00 0.00 C ATOM 3 C ILE A 264 6.400 8.219 -10.740 1.00 0.00 C ATOM 4 O ILE A 264 5.321 7.660 -10.742 1.00 0.00 O ATOM 5 CB ILE A 264 7.124 9.092 -8.495 1.00 0.00 C ATOM 6 CG1 ILE A 264 8.582 8.628 -8.564 1.00 0.00 C ATOM 7 CG2 ILE A 264 6.258 7.957 -7.945 1.00 0.00 C ATOM 8 CD1 ILE A 264 9.511 9.844 -8.526 1.00 0.00 C ATOM 0 HA ILE A 264 7.379 10.076 -10.427 1.00 0.00 H new ATOM 0 HB ILE A 264 7.046 9.959 -7.840 1.00 0.00 H new ATOM 0 HG12 ILE A 264 8.802 7.963 -7.729 1.00 0.00 H new ATOM 0 HG13 ILE A 264 8.750 8.058 -9.478 1.00 0.00 H new ATOM 0 HG21 ILE A 264 6.602 7.688 -6.947 1.00 0.00 H new ATOM 0 HG22 ILE A 264 5.219 8.283 -7.895 1.00 0.00 H new ATOM 0 HG23 ILE A 264 6.335 7.090 -8.601 1.00 0.00 H new ATOM 0 HD11 ILE A 264 10.548 9.511 -8.575 1.00 0.00 H new ATOM 0 HD12 ILE A 264 9.297 10.492 -9.376 1.00 0.00 H new ATOM 0 HD13 ILE A 264 9.351 10.396 -7.600 1.00 0.00 H new ATOM 22 N THR A 265 7.394 7.775 -11.460 1.00 0.00 N ATOM 23 CA THR A 265 7.217 6.560 -12.306 1.00 0.00 C ATOM 24 C THR A 265 7.068 5.316 -11.425 1.00 0.00 C ATOM 25 O THR A 265 6.426 4.354 -11.799 1.00 0.00 O ATOM 26 CB THR A 265 8.491 6.472 -13.150 1.00 0.00 C ATOM 27 OG1 THR A 265 8.466 5.276 -13.915 1.00 0.00 O ATOM 28 CG2 THR A 265 9.720 6.468 -12.237 1.00 0.00 C ATOM 0 H THR A 265 8.320 8.200 -11.499 1.00 0.00 H new ATOM 0 HA THR A 265 6.322 6.617 -12.926 1.00 0.00 H new ATOM 0 HB THR A 265 8.543 7.333 -13.816 1.00 0.00 H new ATOM 0 HG1 THR A 265 9.280 5.218 -14.458 1.00 0.00 H new ATOM 0 HG21 THR A 265 10.624 6.405 -12.843 1.00 0.00 H new ATOM 0 HG22 THR A 265 9.740 7.386 -11.650 1.00 0.00 H new ATOM 0 HG23 THR A 265 9.673 5.610 -11.567 1.00 0.00 H new ATOM 36 N GLY A 266 7.655 5.326 -10.259 1.00 0.00 N ATOM 37 CA GLY A 266 7.546 4.142 -9.361 1.00 0.00 C ATOM 38 C GLY A 266 8.904 3.862 -8.713 1.00 0.00 C ATOM 39 O GLY A 266 9.666 3.036 -9.175 1.00 0.00 O ATOM 0 H GLY A 266 8.205 6.102 -9.890 1.00 0.00 H new ATOM 0 HA2 GLY A 266 6.795 4.324 -8.592 1.00 0.00 H new ATOM 0 HA3 GLY A 266 7.216 3.272 -9.928 1.00 0.00 H new ATOM 43 N ASP A 267 9.213 4.543 -7.643 1.00 0.00 N ATOM 44 CA ASP A 267 10.520 4.315 -6.962 1.00 0.00 C ATOM 45 C ASP A 267 10.576 2.897 -6.386 1.00 0.00 C ATOM 46 O ASP A 267 9.565 2.305 -6.067 1.00 0.00 O ATOM 47 CB ASP A 267 10.566 5.351 -5.840 1.00 0.00 C ATOM 48 CG ASP A 267 11.562 6.453 -6.204 1.00 0.00 C ATOM 49 OD1 ASP A 267 12.633 6.121 -6.683 1.00 0.00 O ATOM 50 OD2 ASP A 267 11.236 7.611 -5.997 1.00 0.00 O ATOM 0 H ASP A 267 8.616 5.248 -7.210 1.00 0.00 H new ATOM 0 HA ASP A 267 11.365 4.414 -7.644 1.00 0.00 H new ATOM 0 HB2 ASP A 267 9.575 5.778 -5.684 1.00 0.00 H new ATOM 0 HB3 ASP A 267 10.859 4.876 -4.904 1.00 0.00 H new ATOM 55 N VAL A 268 11.753 2.350 -6.251 1.00 0.00 N ATOM 56 CA VAL A 268 11.879 0.971 -5.695 1.00 0.00 C ATOM 57 C VAL A 268 11.024 0.829 -4.432 1.00 0.00 C ATOM 58 O VAL A 268 10.443 1.786 -3.956 1.00 0.00 O ATOM 59 CB VAL A 268 13.366 0.819 -5.363 1.00 0.00 C ATOM 60 CG1 VAL A 268 13.618 -0.546 -4.721 1.00 0.00 C ATOM 61 CG2 VAL A 268 14.187 0.931 -6.650 1.00 0.00 C ATOM 0 H VAL A 268 12.634 2.798 -6.502 1.00 0.00 H new ATOM 0 HA VAL A 268 11.536 0.207 -6.393 1.00 0.00 H new ATOM 0 HB VAL A 268 13.661 1.605 -4.667 1.00 0.00 H new ATOM 0 HG11 VAL A 268 14.678 -0.648 -4.487 1.00 0.00 H new ATOM 0 HG12 VAL A 268 13.034 -0.630 -3.804 1.00 0.00 H new ATOM 0 HG13 VAL A 268 13.322 -1.334 -5.413 1.00 0.00 H new ATOM 0 HG21 VAL A 268 15.246 0.823 -6.416 1.00 0.00 H new ATOM 0 HG22 VAL A 268 13.886 0.145 -7.343 1.00 0.00 H new ATOM 0 HG23 VAL A 268 14.014 1.905 -7.108 1.00 0.00 H new ATOM 71 N SER A 269 10.941 -0.359 -3.888 1.00 0.00 N ATOM 72 CA SER A 269 10.127 -0.566 -2.656 1.00 0.00 C ATOM 73 C SER A 269 10.309 0.617 -1.703 1.00 0.00 C ATOM 74 O SER A 269 9.408 0.988 -0.978 1.00 0.00 O ATOM 75 CB SER A 269 10.674 -1.849 -2.032 1.00 0.00 C ATOM 76 OG SER A 269 11.871 -1.554 -1.324 1.00 0.00 O ATOM 0 H SER A 269 11.403 -1.195 -4.246 1.00 0.00 H new ATOM 0 HA SER A 269 9.061 -0.641 -2.870 1.00 0.00 H new ATOM 0 HB2 SER A 269 9.936 -2.282 -1.357 1.00 0.00 H new ATOM 0 HB3 SER A 269 10.870 -2.589 -2.808 1.00 0.00 H new ATOM 0 HG SER A 269 12.223 -2.375 -0.921 1.00 0.00 H new ATOM 82 N ALA A 270 11.470 1.215 -1.706 1.00 0.00 N ATOM 83 CA ALA A 270 11.711 2.378 -0.811 1.00 0.00 C ATOM 84 C ALA A 270 10.497 3.308 -0.830 1.00 0.00 C ATOM 85 O ALA A 270 9.890 3.577 0.188 1.00 0.00 O ATOM 86 CB ALA A 270 12.935 3.083 -1.396 1.00 0.00 C ATOM 0 H ALA A 270 12.261 0.946 -2.291 1.00 0.00 H new ATOM 0 HA ALA A 270 11.872 2.080 0.225 1.00 0.00 H new ATOM 0 HB1 ALA A 270 13.177 3.955 -0.789 1.00 0.00 H new ATOM 0 HB2 ALA A 270 13.782 2.397 -1.400 1.00 0.00 H new ATOM 0 HB3 ALA A 270 12.719 3.400 -2.416 1.00 0.00 H new ATOM 92 N ALA A 271 10.140 3.803 -1.984 1.00 0.00 N ATOM 93 CA ALA A 271 8.972 4.713 -2.077 1.00 0.00 C ATOM 94 C ALA A 271 7.667 3.917 -1.996 1.00 0.00 C ATOM 95 O ALA A 271 6.735 4.302 -1.318 1.00 0.00 O ATOM 96 CB ALA A 271 9.105 5.389 -3.442 1.00 0.00 C ATOM 0 H ALA A 271 10.612 3.613 -2.868 1.00 0.00 H new ATOM 0 HA ALA A 271 8.949 5.437 -1.263 1.00 0.00 H new ATOM 0 HB1 ALA A 271 8.275 6.081 -3.588 1.00 0.00 H new ATOM 0 HB2 ALA A 271 10.046 5.937 -3.487 1.00 0.00 H new ATOM 0 HB3 ALA A 271 9.088 4.632 -4.226 1.00 0.00 H new ATOM 102 N ASN A 272 7.591 2.811 -2.685 1.00 0.00 N ATOM 103 CA ASN A 272 6.343 1.994 -2.649 1.00 0.00 C ATOM 104 C ASN A 272 6.030 1.565 -1.213 1.00 0.00 C ATOM 105 O ASN A 272 4.955 1.812 -0.702 1.00 0.00 O ATOM 106 CB ASN A 272 6.640 0.773 -3.520 1.00 0.00 C ATOM 107 CG ASN A 272 5.970 0.944 -4.885 1.00 0.00 C ATOM 108 OD1 ASN A 272 5.394 0.014 -5.413 1.00 0.00 O ATOM 109 ND2 ASN A 272 6.021 2.103 -5.483 1.00 0.00 N ATOM 0 H ASN A 272 8.338 2.438 -3.271 1.00 0.00 H new ATOM 0 HA ASN A 272 5.478 2.550 -3.009 1.00 0.00 H new ATOM 0 HB2 ASN A 272 7.716 0.655 -3.644 1.00 0.00 H new ATOM 0 HB3 ASN A 272 6.274 -0.131 -3.034 1.00 0.00 H new ATOM 0 HD21 ASN A 272 5.577 2.227 -6.393 1.00 0.00 H new ATOM 0 HD22 ASN A 272 6.504 2.884 -5.040 1.00 0.00 H new ATOM 116 N LYS A 273 6.957 0.923 -0.558 1.00 0.00 N ATOM 117 CA LYS A 273 6.708 0.479 0.841 1.00 0.00 C ATOM 118 C LYS A 273 6.014 1.590 1.633 1.00 0.00 C ATOM 119 O LYS A 273 4.845 1.503 1.951 1.00 0.00 O ATOM 120 CB LYS A 273 8.093 0.191 1.420 1.00 0.00 C ATOM 121 CG LYS A 273 7.980 -0.036 2.929 1.00 0.00 C ATOM 122 CD LYS A 273 8.839 -1.236 3.330 1.00 0.00 C ATOM 123 CE LYS A 273 8.599 -1.567 4.805 1.00 0.00 C ATOM 124 NZ LYS A 273 9.959 -1.646 5.406 1.00 0.00 N ATOM 0 H LYS A 273 7.876 0.687 -0.932 1.00 0.00 H new ATOM 0 HA LYS A 273 6.059 -0.396 0.887 1.00 0.00 H new ATOM 0 HB2 LYS A 273 8.523 -0.688 0.941 1.00 0.00 H new ATOM 0 HB3 LYS A 273 8.764 1.025 1.217 1.00 0.00 H new ATOM 0 HG2 LYS A 273 8.306 0.854 3.467 1.00 0.00 H new ATOM 0 HG3 LYS A 273 6.940 -0.211 3.204 1.00 0.00 H new ATOM 0 HD2 LYS A 273 8.592 -2.097 2.709 1.00 0.00 H new ATOM 0 HD3 LYS A 273 9.893 -1.014 3.163 1.00 0.00 H new ATOM 0 HE2 LYS A 273 7.997 -0.798 5.290 1.00 0.00 H new ATOM 0 HE3 LYS A 273 8.063 -2.509 4.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 273 9.879 -1.870 6.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 273 10.507 -2.391 4.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 273 10.443 -0.733 5.291 1.00 0.00 H new ATOM 138 N ASP A 274 6.728 2.633 1.958 1.00 0.00 N ATOM 139 CA ASP A 274 6.114 3.747 2.732 1.00 0.00 C ATOM 140 C ASP A 274 4.763 4.139 2.126 1.00 0.00 C ATOM 141 O ASP A 274 3.719 3.862 2.683 1.00 0.00 O ATOM 142 CB ASP A 274 7.107 4.904 2.621 1.00 0.00 C ATOM 143 CG ASP A 274 6.635 6.066 3.497 1.00 0.00 C ATOM 144 OD1 ASP A 274 5.513 6.006 3.973 1.00 0.00 O ATOM 145 OD2 ASP A 274 7.404 6.996 3.678 1.00 0.00 O ATOM 0 H ASP A 274 7.712 2.761 1.720 1.00 0.00 H new ATOM 0 HA ASP A 274 5.925 3.469 3.769 1.00 0.00 H new ATOM 0 HB2 ASP A 274 8.099 4.578 2.934 1.00 0.00 H new ATOM 0 HB3 ASP A 274 7.191 5.227 1.583 1.00 0.00 H new ATOM 150 N ALA A 275 4.778 4.785 0.991 1.00 0.00 N ATOM 151 CA ALA A 275 3.499 5.200 0.346 1.00 0.00 C ATOM 152 C ALA A 275 2.458 4.085 0.466 1.00 0.00 C ATOM 153 O ALA A 275 1.427 4.249 1.088 1.00 0.00 O ATOM 154 CB ALA A 275 3.858 5.442 -1.120 1.00 0.00 C ATOM 0 H ALA A 275 5.623 5.044 0.482 1.00 0.00 H new ATOM 0 HA ALA A 275 3.069 6.086 0.814 1.00 0.00 H new ATOM 0 HB1 ALA A 275 2.967 5.752 -1.666 1.00 0.00 H new ATOM 0 HB2 ALA A 275 4.614 6.224 -1.185 1.00 0.00 H new ATOM 0 HB3 ALA A 275 4.249 4.522 -1.555 1.00 0.00 H new ATOM 160 N ILE A 276 2.720 2.951 -0.124 1.00 0.00 N ATOM 161 CA ILE A 276 1.749 1.826 -0.043 1.00 0.00 C ATOM 162 C ILE A 276 1.214 1.694 1.386 1.00 0.00 C ATOM 163 O ILE A 276 0.025 1.772 1.623 1.00 0.00 O ATOM 164 CB ILE A 276 2.550 0.583 -0.436 1.00 0.00 C ATOM 165 CG1 ILE A 276 2.873 0.639 -1.931 1.00 0.00 C ATOM 166 CG2 ILE A 276 1.731 -0.675 -0.139 1.00 0.00 C ATOM 167 CD1 ILE A 276 3.740 -0.563 -2.312 1.00 0.00 C ATOM 0 H ILE A 276 3.566 2.756 -0.659 1.00 0.00 H new ATOM 0 HA ILE A 276 0.886 1.975 -0.692 1.00 0.00 H new ATOM 0 HB ILE A 276 3.476 0.554 0.138 1.00 0.00 H new ATOM 0 HG12 ILE A 276 1.952 0.635 -2.513 1.00 0.00 H new ATOM 0 HG13 ILE A 276 3.395 1.566 -2.166 1.00 0.00 H new ATOM 0 HG21 ILE A 276 2.305 -1.558 -0.420 1.00 0.00 H new ATOM 0 HG22 ILE A 276 1.500 -0.716 0.926 1.00 0.00 H new ATOM 0 HG23 ILE A 276 0.803 -0.648 -0.710 1.00 0.00 H new ATOM 0 HD11 ILE A 276 3.970 -0.523 -3.377 1.00 0.00 H new ATOM 0 HD12 ILE A 276 4.667 -0.539 -1.739 1.00 0.00 H new ATOM 0 HD13 ILE A 276 3.201 -1.485 -2.092 1.00 0.00 H new ATOM 179 N ARG A 277 2.084 1.493 2.339 1.00 0.00 N ATOM 180 CA ARG A 277 1.626 1.355 3.751 1.00 0.00 C ATOM 181 C ARG A 277 0.549 2.398 4.061 1.00 0.00 C ATOM 182 O ARG A 277 -0.607 2.073 4.242 1.00 0.00 O ATOM 183 CB ARG A 277 2.874 1.602 4.600 1.00 0.00 C ATOM 184 CG ARG A 277 3.074 0.430 5.563 1.00 0.00 C ATOM 185 CD ARG A 277 4.314 0.680 6.424 1.00 0.00 C ATOM 186 NE ARG A 277 4.608 -0.634 7.060 1.00 0.00 N ATOM 187 CZ ARG A 277 5.439 -0.708 8.065 1.00 0.00 C ATOM 188 NH1 ARG A 277 6.018 0.371 8.519 1.00 0.00 N ATOM 189 NH2 ARG A 277 5.691 -1.863 8.616 1.00 0.00 N ATOM 0 H ARG A 277 3.092 1.418 2.201 1.00 0.00 H new ATOM 0 HA ARG A 277 1.187 0.377 3.949 1.00 0.00 H new ATOM 0 HB2 ARG A 277 3.748 1.713 3.958 1.00 0.00 H new ATOM 0 HB3 ARG A 277 2.769 2.532 5.159 1.00 0.00 H new ATOM 0 HG2 ARG A 277 2.195 0.313 6.198 1.00 0.00 H new ATOM 0 HG3 ARG A 277 3.188 -0.498 5.003 1.00 0.00 H new ATOM 0 HD2 ARG A 277 5.153 1.023 5.819 1.00 0.00 H new ATOM 0 HD3 ARG A 277 4.127 1.449 7.173 1.00 0.00 H new ATOM 0 HE ARG A 277 4.159 -1.480 6.709 1.00 0.00 H new ATOM 0 HH11 ARG A 277 5.822 1.275 8.089 1.00 0.00 H new ATOM 0 HH12 ARG A 277 6.666 0.310 9.304 1.00 0.00 H new ATOM 0 HH21 ARG A 277 5.239 -2.706 8.262 1.00 0.00 H new ATOM 0 HH22 ARG A 277 6.340 -1.923 9.401 1.00 0.00 H new ATOM 203 N LYS A 278 0.918 3.648 4.119 1.00 0.00 N ATOM 204 CA LYS A 278 -0.086 4.707 4.412 1.00 0.00 C ATOM 205 C LYS A 278 -1.363 4.450 3.611 1.00 0.00 C ATOM 206 O LYS A 278 -2.423 4.233 4.164 1.00 0.00 O ATOM 207 CB LYS A 278 0.574 6.012 3.961 1.00 0.00 C ATOM 208 CG LYS A 278 0.592 7.007 5.122 1.00 0.00 C ATOM 209 CD LYS A 278 1.650 8.080 4.853 1.00 0.00 C ATOM 210 CE LYS A 278 1.014 9.468 4.968 1.00 0.00 C ATOM 211 NZ LYS A 278 1.091 9.806 6.416 1.00 0.00 N ATOM 0 H LYS A 278 1.871 3.981 3.976 1.00 0.00 H new ATOM 0 HA LYS A 278 -0.367 4.735 5.465 1.00 0.00 H new ATOM 0 HB2 LYS A 278 1.591 5.818 3.620 1.00 0.00 H new ATOM 0 HB3 LYS A 278 0.029 6.434 3.116 1.00 0.00 H new ATOM 0 HG2 LYS A 278 -0.389 7.468 5.236 1.00 0.00 H new ATOM 0 HG3 LYS A 278 0.812 6.490 6.056 1.00 0.00 H new ATOM 0 HD2 LYS A 278 2.469 7.984 5.566 1.00 0.00 H new ATOM 0 HD3 LYS A 278 2.075 7.945 3.858 1.00 0.00 H new ATOM 0 HE2 LYS A 278 1.550 10.199 4.363 1.00 0.00 H new ATOM 0 HE3 LYS A 278 -0.018 9.460 4.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 278 0.674 10.745 6.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 278 0.567 9.096 6.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 278 2.086 9.813 6.718 1.00 0.00 H new ATOM 225 N GLN A 279 -1.268 4.473 2.309 1.00 0.00 N ATOM 226 CA GLN A 279 -2.470 4.229 1.467 1.00 0.00 C ATOM 227 C GLN A 279 -3.295 3.075 2.042 1.00 0.00 C ATOM 228 O GLN A 279 -4.502 3.157 2.153 1.00 0.00 O ATOM 229 CB GLN A 279 -1.919 3.859 0.090 1.00 0.00 C ATOM 230 CG GLN A 279 -2.082 5.045 -0.861 1.00 0.00 C ATOM 231 CD GLN A 279 -1.298 6.243 -0.323 1.00 0.00 C ATOM 232 OE1 GLN A 279 -1.858 7.296 -0.091 1.00 0.00 O ATOM 233 NE2 GLN A 279 -0.015 6.127 -0.114 1.00 0.00 N ATOM 0 H GLN A 279 -0.407 4.651 1.793 1.00 0.00 H new ATOM 0 HA GLN A 279 -3.127 5.098 1.424 1.00 0.00 H new ATOM 0 HB2 GLN A 279 -0.867 3.585 0.169 1.00 0.00 H new ATOM 0 HB3 GLN A 279 -2.446 2.989 -0.303 1.00 0.00 H new ATOM 0 HG2 GLN A 279 -1.723 4.779 -1.855 1.00 0.00 H new ATOM 0 HG3 GLN A 279 -3.136 5.302 -0.961 1.00 0.00 H new ATOM 0 HE21 GLN A 279 0.456 5.243 -0.309 1.00 0.00 H new ATOM 0 HE22 GLN A 279 0.517 6.920 0.244 1.00 0.00 H new ATOM 242 N MET A 280 -2.653 2.000 2.410 1.00 0.00 N ATOM 243 CA MET A 280 -3.404 0.844 2.978 1.00 0.00 C ATOM 244 C MET A 280 -4.113 1.261 4.268 1.00 0.00 C ATOM 245 O MET A 280 -5.321 1.185 4.374 1.00 0.00 O ATOM 246 CB MET A 280 -2.342 -0.219 3.266 1.00 0.00 C ATOM 247 CG MET A 280 -2.447 -1.337 2.226 1.00 0.00 C ATOM 248 SD MET A 280 -2.130 -2.934 3.018 1.00 0.00 S ATOM 249 CE MET A 280 -0.405 -2.629 3.471 1.00 0.00 C ATOM 0 H MET A 280 -1.643 1.872 2.342 1.00 0.00 H new ATOM 0 HA MET A 280 -4.172 0.475 2.298 1.00 0.00 H new ATOM 0 HB2 MET A 280 -1.348 0.227 3.237 1.00 0.00 H new ATOM 0 HB3 MET A 280 -2.480 -0.625 4.268 1.00 0.00 H new ATOM 0 HG2 MET A 280 -3.439 -1.335 1.773 1.00 0.00 H new ATOM 0 HG3 MET A 280 -1.729 -1.169 1.423 1.00 0.00 H new ATOM 0 HE1 MET A 280 0.206 -3.481 3.173 1.00 0.00 H new ATOM 0 HE2 MET A 280 -0.049 -1.732 2.964 1.00 0.00 H new ATOM 0 HE3 MET A 280 -0.331 -2.489 4.550 1.00 0.00 H new ATOM 259 N ASP A 281 -3.373 1.700 5.248 1.00 0.00 N ATOM 260 CA ASP A 281 -4.008 2.122 6.529 1.00 0.00 C ATOM 261 C ASP A 281 -5.273 2.939 6.249 1.00 0.00 C ATOM 262 O ASP A 281 -6.346 2.621 6.721 1.00 0.00 O ATOM 263 CB ASP A 281 -2.953 2.983 7.228 1.00 0.00 C ATOM 264 CG ASP A 281 -3.009 2.730 8.735 1.00 0.00 C ATOM 265 OD1 ASP A 281 -3.752 1.852 9.141 1.00 0.00 O ATOM 266 OD2 ASP A 281 -2.307 3.418 9.458 1.00 0.00 O ATOM 0 H ASP A 281 -2.357 1.785 5.218 1.00 0.00 H new ATOM 0 HA ASP A 281 -4.310 1.272 7.141 1.00 0.00 H new ATOM 0 HB2 ASP A 281 -1.961 2.745 6.845 1.00 0.00 H new ATOM 0 HB3 ASP A 281 -3.131 4.038 7.018 1.00 0.00 H new ATOM 271 N ALA A 282 -5.153 3.992 5.489 1.00 0.00 N ATOM 272 CA ALA A 282 -6.340 4.834 5.180 1.00 0.00 C ATOM 273 C ALA A 282 -7.465 3.986 4.576 1.00 0.00 C ATOM 274 O ALA A 282 -8.492 3.775 5.189 1.00 0.00 O ATOM 275 CB ALA A 282 -5.840 5.861 4.164 1.00 0.00 C ATOM 0 H ALA A 282 -4.279 4.306 5.067 1.00 0.00 H new ATOM 0 HA ALA A 282 -6.751 5.304 6.074 1.00 0.00 H new ATOM 0 HB1 ALA A 282 -6.659 6.523 3.883 1.00 0.00 H new ATOM 0 HB2 ALA A 282 -5.034 6.447 4.606 1.00 0.00 H new ATOM 0 HB3 ALA A 282 -5.470 5.346 3.278 1.00 0.00 H new ATOM 281 N ALA A 283 -7.282 3.503 3.376 1.00 0.00 N ATOM 282 CA ALA A 283 -8.346 2.677 2.732 1.00 0.00 C ATOM 283 C ALA A 283 -8.668 1.448 3.588 1.00 0.00 C ATOM 284 O ALA A 283 -9.659 0.778 3.377 1.00 0.00 O ATOM 285 CB ALA A 283 -7.757 2.255 1.386 1.00 0.00 C ATOM 0 H ALA A 283 -6.443 3.644 2.814 1.00 0.00 H new ATOM 0 HA ALA A 283 -9.279 3.229 2.617 1.00 0.00 H new ATOM 0 HB1 ALA A 283 -8.480 1.642 0.848 1.00 0.00 H new ATOM 0 HB2 ALA A 283 -7.524 3.142 0.797 1.00 0.00 H new ATOM 0 HB3 ALA A 283 -6.846 1.680 1.552 1.00 0.00 H new ATOM 291 N ALA A 284 -7.840 1.145 4.550 1.00 0.00 N ATOM 292 CA ALA A 284 -8.104 -0.041 5.412 1.00 0.00 C ATOM 293 C ALA A 284 -9.187 0.276 6.450 1.00 0.00 C ATOM 294 O ALA A 284 -10.333 -0.099 6.301 1.00 0.00 O ATOM 295 CB ALA A 284 -6.770 -0.334 6.101 1.00 0.00 C ATOM 0 H ALA A 284 -6.993 1.667 4.776 1.00 0.00 H new ATOM 0 HA ALA A 284 -8.464 -0.893 4.836 1.00 0.00 H new ATOM 0 HB1 ALA A 284 -6.881 -1.198 6.756 1.00 0.00 H new ATOM 0 HB2 ALA A 284 -6.010 -0.545 5.348 1.00 0.00 H new ATOM 0 HB3 ALA A 284 -6.467 0.532 6.690 1.00 0.00 H new ATOM 301 N SER A 285 -8.828 0.954 7.507 1.00 0.00 N ATOM 302 CA SER A 285 -9.828 1.286 8.563 1.00 0.00 C ATOM 303 C SER A 285 -10.581 2.578 8.225 1.00 0.00 C ATOM 304 O SER A 285 -10.805 3.411 9.081 1.00 0.00 O ATOM 305 CB SER A 285 -9.005 1.470 9.837 1.00 0.00 C ATOM 306 OG SER A 285 -8.256 0.288 10.089 1.00 0.00 O ATOM 0 H SER A 285 -7.883 1.293 7.685 1.00 0.00 H new ATOM 0 HA SER A 285 -10.583 0.507 8.662 1.00 0.00 H new ATOM 0 HB2 SER A 285 -8.335 2.323 9.730 1.00 0.00 H new ATOM 0 HB3 SER A 285 -9.662 1.684 10.680 1.00 0.00 H new ATOM 0 HG SER A 285 -7.726 0.404 10.905 1.00 0.00 H new ATOM 312 N LYS A 286 -10.982 2.756 6.995 1.00 0.00 N ATOM 313 CA LYS A 286 -11.723 3.998 6.638 1.00 0.00 C ATOM 314 C LYS A 286 -13.063 3.650 5.987 1.00 0.00 C ATOM 315 O LYS A 286 -13.880 4.511 5.728 1.00 0.00 O ATOM 316 CB LYS A 286 -10.822 4.745 5.653 1.00 0.00 C ATOM 317 CG LYS A 286 -11.564 5.967 5.101 1.00 0.00 C ATOM 318 CD LYS A 286 -12.012 6.865 6.257 1.00 0.00 C ATOM 319 CE LYS A 286 -12.968 7.938 5.731 1.00 0.00 C ATOM 320 NZ LYS A 286 -12.120 8.838 4.899 1.00 0.00 N ATOM 0 H LYS A 286 -10.830 2.101 6.228 1.00 0.00 H new ATOM 0 HA LYS A 286 -11.946 4.604 7.516 1.00 0.00 H new ATOM 0 HB2 LYS A 286 -9.904 5.059 6.150 1.00 0.00 H new ATOM 0 HB3 LYS A 286 -10.532 4.084 4.836 1.00 0.00 H new ATOM 0 HG2 LYS A 286 -10.915 6.524 4.426 1.00 0.00 H new ATOM 0 HG3 LYS A 286 -12.429 5.647 4.520 1.00 0.00 H new ATOM 0 HD2 LYS A 286 -12.505 6.268 7.024 1.00 0.00 H new ATOM 0 HD3 LYS A 286 -11.146 7.333 6.725 1.00 0.00 H new ATOM 0 HE2 LYS A 286 -13.771 7.496 5.141 1.00 0.00 H new ATOM 0 HE3 LYS A 286 -13.437 8.484 6.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 286 -12.611 9.744 4.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 286 -11.215 9.007 5.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 286 -11.942 8.392 3.976 1.00 0.00 H new ATOM 334 N GLY A 287 -13.297 2.395 5.723 1.00 0.00 N ATOM 335 CA GLY A 287 -14.587 1.998 5.091 1.00 0.00 C ATOM 336 C GLY A 287 -14.307 1.298 3.763 1.00 0.00 C ATOM 337 O GLY A 287 -14.885 0.275 3.454 1.00 0.00 O ATOM 0 H GLY A 287 -12.653 1.628 5.917 1.00 0.00 H new ATOM 0 HA2 GLY A 287 -15.141 1.334 5.755 1.00 0.00 H new ATOM 0 HA3 GLY A 287 -15.210 2.877 4.927 1.00 0.00 H new ATOM 341 N ASP A 288 -13.420 1.839 2.976 1.00 0.00 N ATOM 342 CA ASP A 288 -13.097 1.207 1.672 1.00 0.00 C ATOM 343 C ASP A 288 -12.143 0.031 1.893 1.00 0.00 C ATOM 344 O ASP A 288 -11.071 -0.030 1.326 1.00 0.00 O ATOM 345 CB ASP A 288 -12.419 2.316 0.871 1.00 0.00 C ATOM 346 CG ASP A 288 -13.471 3.091 0.073 1.00 0.00 C ATOM 347 OD1 ASP A 288 -14.418 2.470 -0.382 1.00 0.00 O ATOM 348 OD2 ASP A 288 -13.312 4.293 -0.068 1.00 0.00 O ATOM 0 H ASP A 288 -12.904 2.695 3.183 1.00 0.00 H new ATOM 0 HA ASP A 288 -13.973 0.812 1.158 1.00 0.00 H new ATOM 0 HB2 ASP A 288 -11.888 2.991 1.543 1.00 0.00 H new ATOM 0 HB3 ASP A 288 -11.677 1.889 0.196 1.00 0.00 H new ATOM 353 N VAL A 289 -12.529 -0.900 2.724 1.00 0.00 N ATOM 354 CA VAL A 289 -11.651 -2.074 2.998 1.00 0.00 C ATOM 355 C VAL A 289 -11.432 -2.887 1.720 1.00 0.00 C ATOM 356 O VAL A 289 -10.442 -3.575 1.575 1.00 0.00 O ATOM 357 CB VAL A 289 -12.407 -2.901 4.038 1.00 0.00 C ATOM 358 CG1 VAL A 289 -11.465 -3.939 4.648 1.00 0.00 C ATOM 359 CG2 VAL A 289 -12.929 -1.978 5.143 1.00 0.00 C ATOM 0 H VAL A 289 -13.417 -0.898 3.226 1.00 0.00 H new ATOM 0 HA VAL A 289 -10.665 -1.775 3.353 1.00 0.00 H new ATOM 0 HB VAL A 289 -13.245 -3.407 3.559 1.00 0.00 H new ATOM 0 HG11 VAL A 289 -12.004 -4.528 5.389 1.00 0.00 H new ATOM 0 HG12 VAL A 289 -11.091 -4.597 3.863 1.00 0.00 H new ATOM 0 HG13 VAL A 289 -10.627 -3.433 5.127 1.00 0.00 H new ATOM 0 HG21 VAL A 289 -13.468 -2.567 5.885 1.00 0.00 H new ATOM 0 HG22 VAL A 289 -12.090 -1.472 5.621 1.00 0.00 H new ATOM 0 HG23 VAL A 289 -13.601 -1.237 4.711 1.00 0.00 H new ATOM 369 N GLU A 290 -12.341 -2.814 0.791 1.00 0.00 N ATOM 370 CA GLU A 290 -12.168 -3.581 -0.468 1.00 0.00 C ATOM 371 C GLU A 290 -10.764 -3.345 -1.026 1.00 0.00 C ATOM 372 O GLU A 290 -9.930 -4.229 -1.041 1.00 0.00 O ATOM 373 CB GLU A 290 -13.226 -3.022 -1.417 1.00 0.00 C ATOM 374 CG GLU A 290 -13.436 -3.992 -2.581 1.00 0.00 C ATOM 375 CD GLU A 290 -12.137 -4.120 -3.380 1.00 0.00 C ATOM 376 OE1 GLU A 290 -11.902 -3.276 -4.229 1.00 0.00 O ATOM 377 OE2 GLU A 290 -11.401 -5.060 -3.130 1.00 0.00 O ATOM 0 H GLU A 290 -13.194 -2.258 0.850 1.00 0.00 H new ATOM 0 HA GLU A 290 -12.281 -4.656 -0.325 1.00 0.00 H new ATOM 0 HB2 GLU A 290 -14.164 -2.870 -0.883 1.00 0.00 H new ATOM 0 HB3 GLU A 290 -12.913 -2.048 -1.794 1.00 0.00 H new ATOM 0 HG2 GLU A 290 -13.741 -4.968 -2.204 1.00 0.00 H new ATOM 0 HG3 GLU A 290 -14.238 -3.634 -3.226 1.00 0.00 H new ATOM 384 N THR A 291 -10.498 -2.153 -1.483 1.00 0.00 N ATOM 385 CA THR A 291 -9.154 -1.846 -2.038 1.00 0.00 C ATOM 386 C THR A 291 -8.063 -2.210 -1.027 1.00 0.00 C ATOM 387 O THR A 291 -7.031 -2.743 -1.380 1.00 0.00 O ATOM 388 CB THR A 291 -9.168 -0.338 -2.292 1.00 0.00 C ATOM 389 OG1 THR A 291 -10.155 -0.034 -3.268 1.00 0.00 O ATOM 390 CG2 THR A 291 -7.795 0.111 -2.795 1.00 0.00 C ATOM 0 H THR A 291 -11.158 -1.376 -1.495 1.00 0.00 H new ATOM 0 HA THR A 291 -8.944 -2.413 -2.945 1.00 0.00 H new ATOM 0 HB THR A 291 -9.400 0.185 -1.364 1.00 0.00 H new ATOM 0 HG1 THR A 291 -10.167 0.932 -3.431 1.00 0.00 H new ATOM 0 HG21 THR A 291 -7.807 1.186 -2.975 1.00 0.00 H new ATOM 0 HG22 THR A 291 -7.039 -0.123 -2.046 1.00 0.00 H new ATOM 0 HG23 THR A 291 -7.559 -0.410 -3.723 1.00 0.00 H new ATOM 398 N TYR A 292 -8.284 -1.926 0.228 1.00 0.00 N ATOM 399 CA TYR A 292 -7.258 -2.257 1.258 1.00 0.00 C ATOM 400 C TYR A 292 -6.771 -3.696 1.075 1.00 0.00 C ATOM 401 O TYR A 292 -5.600 -3.944 0.868 1.00 0.00 O ATOM 402 CB TYR A 292 -7.978 -2.098 2.598 1.00 0.00 C ATOM 403 CG TYR A 292 -7.061 -2.518 3.722 1.00 0.00 C ATOM 404 CD1 TYR A 292 -5.711 -2.150 3.700 1.00 0.00 C ATOM 405 CD2 TYR A 292 -7.565 -3.274 4.787 1.00 0.00 C ATOM 406 CE1 TYR A 292 -4.865 -2.537 4.747 1.00 0.00 C ATOM 407 CE2 TYR A 292 -6.718 -3.661 5.832 1.00 0.00 C ATOM 408 CZ TYR A 292 -5.368 -3.293 5.812 1.00 0.00 C ATOM 409 OH TYR A 292 -4.533 -3.673 6.843 1.00 0.00 O ATOM 0 H TYR A 292 -9.129 -1.480 0.584 1.00 0.00 H new ATOM 0 HA TYR A 292 -6.380 -1.615 1.189 1.00 0.00 H new ATOM 0 HB2 TYR A 292 -8.286 -1.062 2.735 1.00 0.00 H new ATOM 0 HB3 TYR A 292 -8.884 -2.704 2.609 1.00 0.00 H new ATOM 0 HD1 TYR A 292 -5.322 -1.569 2.877 1.00 0.00 H new ATOM 0 HD2 TYR A 292 -8.607 -3.558 4.802 1.00 0.00 H new ATOM 0 HE1 TYR A 292 -3.823 -2.252 4.732 1.00 0.00 H new ATOM 0 HE2 TYR A 292 -7.106 -4.244 6.654 1.00 0.00 H new ATOM 0 HH TYR A 292 -5.041 -4.191 7.501 1.00 0.00 H new ATOM 419 N ARG A 293 -7.662 -4.647 1.150 1.00 0.00 N ATOM 420 CA ARG A 293 -7.253 -6.070 0.981 1.00 0.00 C ATOM 421 C ARG A 293 -6.248 -6.205 -0.166 1.00 0.00 C ATOM 422 O ARG A 293 -5.107 -6.570 0.036 1.00 0.00 O ATOM 423 CB ARG A 293 -8.544 -6.818 0.650 1.00 0.00 C ATOM 424 CG ARG A 293 -9.365 -7.012 1.927 1.00 0.00 C ATOM 425 CD ARG A 293 -10.849 -7.111 1.569 1.00 0.00 C ATOM 426 NE ARG A 293 -10.928 -8.201 0.556 1.00 0.00 N ATOM 427 CZ ARG A 293 -12.014 -8.360 -0.153 1.00 0.00 C ATOM 428 NH1 ARG A 293 -13.038 -7.569 0.026 1.00 0.00 N ATOM 429 NH2 ARG A 293 -12.076 -9.315 -1.041 1.00 0.00 N ATOM 0 H ARG A 293 -8.657 -4.499 1.321 1.00 0.00 H new ATOM 0 HA ARG A 293 -6.768 -6.465 1.874 1.00 0.00 H new ATOM 0 HB2 ARG A 293 -9.122 -6.258 -0.085 1.00 0.00 H new ATOM 0 HB3 ARG A 293 -8.312 -7.785 0.204 1.00 0.00 H new ATOM 0 HG2 ARG A 293 -9.044 -7.916 2.445 1.00 0.00 H new ATOM 0 HG3 ARG A 293 -9.199 -6.178 2.609 1.00 0.00 H new ATOM 0 HD2 ARG A 293 -11.452 -7.343 2.447 1.00 0.00 H new ATOM 0 HD3 ARG A 293 -11.222 -6.169 1.166 1.00 0.00 H new ATOM 0 HE ARG A 293 -10.133 -8.824 0.416 1.00 0.00 H new ATOM 0 HH11 ARG A 293 -12.992 -6.824 0.721 1.00 0.00 H new ATOM 0 HH12 ARG A 293 -13.884 -7.696 -0.529 1.00 0.00 H new ATOM 0 HH21 ARG A 293 -11.278 -9.935 -1.180 1.00 0.00 H new ATOM 0 HH22 ARG A 293 -12.923 -9.441 -1.596 1.00 0.00 H new ATOM 443 N LYS A 294 -6.666 -5.916 -1.369 1.00 0.00 N ATOM 444 CA LYS A 294 -5.741 -6.030 -2.533 1.00 0.00 C ATOM 445 C LYS A 294 -4.354 -5.497 -2.167 1.00 0.00 C ATOM 446 O LYS A 294 -3.386 -6.232 -2.125 1.00 0.00 O ATOM 447 CB LYS A 294 -6.374 -5.168 -3.626 1.00 0.00 C ATOM 448 CG LYS A 294 -6.445 -5.967 -4.929 1.00 0.00 C ATOM 449 CD LYS A 294 -7.523 -5.371 -5.835 1.00 0.00 C ATOM 450 CE LYS A 294 -7.236 -3.885 -6.061 1.00 0.00 C ATOM 451 NZ LYS A 294 -8.555 -3.211 -5.907 1.00 0.00 N ATOM 0 H LYS A 294 -7.611 -5.605 -1.596 1.00 0.00 H new ATOM 0 HA LYS A 294 -5.607 -7.064 -2.852 1.00 0.00 H new ATOM 0 HB2 LYS A 294 -7.373 -4.855 -3.324 1.00 0.00 H new ATOM 0 HB3 LYS A 294 -5.787 -4.261 -3.774 1.00 0.00 H new ATOM 0 HG2 LYS A 294 -5.479 -5.947 -5.434 1.00 0.00 H new ATOM 0 HG3 LYS A 294 -6.671 -7.012 -4.716 1.00 0.00 H new ATOM 0 HD2 LYS A 294 -7.543 -5.898 -6.789 1.00 0.00 H new ATOM 0 HD3 LYS A 294 -8.506 -5.497 -5.381 1.00 0.00 H new ATOM 0 HE2 LYS A 294 -6.513 -3.508 -5.338 1.00 0.00 H new ATOM 0 HE3 LYS A 294 -6.816 -3.710 -7.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 294 -8.440 -2.187 -6.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 294 -9.221 -3.585 -6.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 294 -8.927 -3.389 -4.952 1.00 0.00 H new ATOM 465 N LEU A 295 -4.251 -4.223 -1.904 1.00 0.00 N ATOM 466 CA LEU A 295 -2.931 -3.637 -1.542 1.00 0.00 C ATOM 467 C LEU A 295 -2.181 -4.567 -0.586 1.00 0.00 C ATOM 468 O LEU A 295 -1.055 -4.951 -0.834 1.00 0.00 O ATOM 469 CB LEU A 295 -3.263 -2.313 -0.854 1.00 0.00 C ATOM 470 CG LEU A 295 -2.836 -1.150 -1.751 1.00 0.00 C ATOM 471 CD1 LEU A 295 -1.327 -1.214 -1.987 1.00 0.00 C ATOM 472 CD2 LEU A 295 -3.566 -1.248 -3.093 1.00 0.00 C ATOM 0 H LEU A 295 -5.027 -3.561 -1.925 1.00 0.00 H new ATOM 0 HA LEU A 295 -2.289 -3.496 -2.412 1.00 0.00 H new ATOM 0 HB2 LEU A 295 -4.332 -2.255 -0.650 1.00 0.00 H new ATOM 0 HB3 LEU A 295 -2.752 -2.252 0.107 1.00 0.00 H new ATOM 0 HG LEU A 295 -3.088 -0.206 -1.267 1.00 0.00 H new ATOM 0 HD11 LEU A 295 -1.023 -0.385 -2.626 1.00 0.00 H new ATOM 0 HD12 LEU A 295 -0.806 -1.146 -1.032 1.00 0.00 H new ATOM 0 HD13 LEU A 295 -1.074 -2.157 -2.471 1.00 0.00 H new ATOM 0 HD21 LEU A 295 -3.263 -0.420 -3.733 1.00 0.00 H new ATOM 0 HD22 LEU A 295 -3.314 -2.192 -3.576 1.00 0.00 H new ATOM 0 HD23 LEU A 295 -4.642 -1.202 -2.926 1.00 0.00 H new ATOM 484 N LYS A 296 -2.796 -4.931 0.506 1.00 0.00 N ATOM 485 CA LYS A 296 -2.118 -5.835 1.475 1.00 0.00 C ATOM 486 C LYS A 296 -1.400 -6.962 0.728 1.00 0.00 C ATOM 487 O LYS A 296 -0.194 -7.091 0.790 1.00 0.00 O ATOM 488 CB LYS A 296 -3.242 -6.395 2.348 1.00 0.00 C ATOM 489 CG LYS A 296 -2.643 -7.266 3.455 1.00 0.00 C ATOM 490 CD LYS A 296 -3.639 -7.382 4.612 1.00 0.00 C ATOM 491 CE LYS A 296 -3.415 -8.705 5.348 1.00 0.00 C ATOM 492 NZ LYS A 296 -3.231 -8.324 6.776 1.00 0.00 N ATOM 0 H LYS A 296 -3.738 -4.641 0.768 1.00 0.00 H new ATOM 0 HA LYS A 296 -1.364 -5.318 2.069 1.00 0.00 H new ATOM 0 HB2 LYS A 296 -3.819 -5.579 2.784 1.00 0.00 H new ATOM 0 HB3 LYS A 296 -3.930 -6.983 1.741 1.00 0.00 H new ATOM 0 HG2 LYS A 296 -2.406 -8.256 3.065 1.00 0.00 H new ATOM 0 HG3 LYS A 296 -1.708 -6.831 3.809 1.00 0.00 H new ATOM 0 HD2 LYS A 296 -3.513 -6.545 5.299 1.00 0.00 H new ATOM 0 HD3 LYS A 296 -4.660 -7.333 4.233 1.00 0.00 H new ATOM 0 HE2 LYS A 296 -4.266 -9.375 5.224 1.00 0.00 H new ATOM 0 HE3 LYS A 296 -2.540 -9.228 4.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 296 -3.072 -9.179 7.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 296 -2.410 -7.692 6.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 296 -4.083 -7.834 7.117 1.00 0.00 H new ATOM 506 N ALA A 297 -2.134 -7.778 0.021 1.00 0.00 N ATOM 507 CA ALA A 297 -1.496 -8.894 -0.730 1.00 0.00 C ATOM 508 C ALA A 297 -0.219 -8.407 -1.421 1.00 0.00 C ATOM 509 O ALA A 297 0.838 -8.986 -1.273 1.00 0.00 O ATOM 510 CB ALA A 297 -2.535 -9.320 -1.768 1.00 0.00 C ATOM 0 H ALA A 297 -3.148 -7.719 -0.068 1.00 0.00 H new ATOM 0 HA ALA A 297 -1.210 -9.718 -0.077 1.00 0.00 H new ATOM 0 HB1 ALA A 297 -2.138 -10.142 -2.364 1.00 0.00 H new ATOM 0 HB2 ALA A 297 -3.444 -9.645 -1.261 1.00 0.00 H new ATOM 0 HB3 ALA A 297 -2.765 -8.477 -2.420 1.00 0.00 H new ATOM 516 N LYS A 298 -0.311 -7.351 -2.180 1.00 0.00 N ATOM 517 CA LYS A 298 0.895 -6.833 -2.882 1.00 0.00 C ATOM 518 C LYS A 298 2.084 -6.759 -1.919 1.00 0.00 C ATOM 519 O LYS A 298 3.059 -7.469 -2.067 1.00 0.00 O ATOM 520 CB LYS A 298 0.506 -5.436 -3.366 1.00 0.00 C ATOM 521 CG LYS A 298 1.343 -5.072 -4.594 1.00 0.00 C ATOM 522 CD LYS A 298 0.855 -3.741 -5.170 1.00 0.00 C ATOM 523 CE LYS A 298 1.806 -2.621 -4.742 1.00 0.00 C ATOM 524 NZ LYS A 298 1.617 -1.547 -5.757 1.00 0.00 N ATOM 0 H LYS A 298 -1.169 -6.825 -2.344 1.00 0.00 H new ATOM 0 HA LYS A 298 1.198 -7.479 -3.706 1.00 0.00 H new ATOM 0 HB2 LYS A 298 -0.555 -5.407 -3.614 1.00 0.00 H new ATOM 0 HB3 LYS A 298 0.668 -4.706 -2.573 1.00 0.00 H new ATOM 0 HG2 LYS A 298 2.396 -4.998 -4.321 1.00 0.00 H new ATOM 0 HG3 LYS A 298 1.264 -5.857 -5.346 1.00 0.00 H new ATOM 0 HD2 LYS A 298 0.809 -3.798 -6.258 1.00 0.00 H new ATOM 0 HD3 LYS A 298 -0.155 -3.529 -4.819 1.00 0.00 H new ATOM 0 HE2 LYS A 298 1.569 -2.263 -3.740 1.00 0.00 H new ATOM 0 HE3 LYS A 298 2.839 -2.967 -4.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 298 2.237 -0.743 -5.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 298 1.856 -1.915 -6.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 298 0.626 -1.233 -5.749 1.00 0.00 H new ATOM 538 N LEU A 299 2.015 -5.900 -0.938 1.00 0.00 N ATOM 539 CA LEU A 299 3.146 -5.778 0.026 1.00 0.00 C ATOM 540 C LEU A 299 3.633 -7.164 0.460 1.00 0.00 C ATOM 541 O LEU A 299 4.799 -7.359 0.739 1.00 0.00 O ATOM 542 CB LEU A 299 2.577 -5.013 1.222 1.00 0.00 C ATOM 543 CG LEU A 299 3.510 -5.182 2.425 1.00 0.00 C ATOM 544 CD1 LEU A 299 4.893 -4.623 2.083 1.00 0.00 C ATOM 545 CD2 LEU A 299 2.936 -4.425 3.625 1.00 0.00 C ATOM 0 H LEU A 299 1.226 -5.278 -0.763 1.00 0.00 H new ATOM 0 HA LEU A 299 4.001 -5.266 -0.415 1.00 0.00 H new ATOM 0 HB2 LEU A 299 2.472 -3.957 0.975 1.00 0.00 H new ATOM 0 HB3 LEU A 299 1.581 -5.384 1.465 1.00 0.00 H new ATOM 0 HG LEU A 299 3.598 -6.240 2.670 1.00 0.00 H new ATOM 0 HD11 LEU A 299 5.556 -4.744 2.940 1.00 0.00 H new ATOM 0 HD12 LEU A 299 5.302 -5.162 1.229 1.00 0.00 H new ATOM 0 HD13 LEU A 299 4.807 -3.565 1.837 1.00 0.00 H new ATOM 0 HD21 LEU A 299 3.599 -4.545 4.482 1.00 0.00 H new ATOM 0 HD22 LEU A 299 2.848 -3.367 3.379 1.00 0.00 H new ATOM 0 HD23 LEU A 299 1.952 -4.824 3.870 1.00 0.00 H new ATOM 557 N LYS A 300 2.750 -8.124 0.527 1.00 0.00 N ATOM 558 CA LYS A 300 3.170 -9.492 0.950 1.00 0.00 C ATOM 559 C LYS A 300 4.503 -9.857 0.293 1.00 0.00 C ATOM 560 O LYS A 300 5.384 -10.411 0.919 1.00 0.00 O ATOM 561 CB LYS A 300 2.056 -10.421 0.465 1.00 0.00 C ATOM 562 CG LYS A 300 2.140 -11.753 1.213 1.00 0.00 C ATOM 563 CD LYS A 300 2.370 -12.887 0.211 1.00 0.00 C ATOM 564 CE LYS A 300 1.169 -13.837 0.229 1.00 0.00 C ATOM 565 NZ LYS A 300 0.763 -13.970 -1.198 1.00 0.00 N ATOM 0 H LYS A 300 1.759 -8.021 0.308 1.00 0.00 H new ATOM 0 HA LYS A 300 3.315 -9.566 2.028 1.00 0.00 H new ATOM 0 HB2 LYS A 300 1.083 -9.958 0.633 1.00 0.00 H new ATOM 0 HB3 LYS A 300 2.149 -10.588 -0.608 1.00 0.00 H new ATOM 0 HG2 LYS A 300 2.953 -11.724 1.939 1.00 0.00 H new ATOM 0 HG3 LYS A 300 1.220 -11.928 1.771 1.00 0.00 H new ATOM 0 HD2 LYS A 300 2.509 -12.479 -0.790 1.00 0.00 H new ATOM 0 HD3 LYS A 300 3.281 -13.430 0.463 1.00 0.00 H new ATOM 0 HE2 LYS A 300 1.437 -14.804 0.655 1.00 0.00 H new ATOM 0 HE3 LYS A 300 0.357 -13.435 0.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 300 -0.056 -14.607 -1.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 300 0.508 -13.035 -1.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 300 1.554 -14.361 -1.749 1.00 0.00 H new ATOM 579 N GLY A 301 4.658 -9.544 -0.964 1.00 0.00 N ATOM 580 CA GLY A 301 5.935 -9.866 -1.660 1.00 0.00 C ATOM 581 C GLY A 301 6.299 -8.725 -2.612 1.00 0.00 C ATOM 582 O GLY A 301 6.471 -8.923 -3.798 1.00 0.00 O ATOM 0 H GLY A 301 3.955 -9.079 -1.539 1.00 0.00 H new ATOM 0 HA2 GLY A 301 6.732 -10.014 -0.931 1.00 0.00 H new ATOM 0 HA3 GLY A 301 5.834 -10.799 -2.215 1.00 0.00 H new ATOM 586 N ILE A 302 6.414 -7.529 -2.101 1.00 0.00 N ATOM 587 CA ILE A 302 6.763 -6.373 -2.976 1.00 0.00 C ATOM 588 C ILE A 302 8.264 -6.369 -3.281 1.00 0.00 C ATOM 589 O ILE A 302 9.082 -6.643 -2.425 1.00 0.00 O ATOM 590 CB ILE A 302 6.375 -5.136 -2.165 1.00 0.00 C ATOM 591 CG1 ILE A 302 6.362 -3.910 -3.082 1.00 0.00 C ATOM 592 CG2 ILE A 302 7.389 -4.920 -1.040 1.00 0.00 C ATOM 593 CD1 ILE A 302 4.932 -3.643 -3.554 1.00 0.00 C ATOM 0 H ILE A 302 6.281 -7.302 -1.115 1.00 0.00 H new ATOM 0 HA ILE A 302 6.248 -6.411 -3.936 1.00 0.00 H new ATOM 0 HB ILE A 302 5.384 -5.281 -1.735 1.00 0.00 H new ATOM 0 HG12 ILE A 302 6.749 -3.041 -2.551 1.00 0.00 H new ATOM 0 HG13 ILE A 302 7.014 -4.076 -3.939 1.00 0.00 H new ATOM 0 HG21 ILE A 302 7.110 -4.038 -0.463 1.00 0.00 H new ATOM 0 HG22 ILE A 302 7.399 -5.792 -0.387 1.00 0.00 H new ATOM 0 HG23 ILE A 302 8.381 -4.776 -1.467 1.00 0.00 H new ATOM 0 HD11 ILE A 302 4.921 -2.770 -4.207 1.00 0.00 H new ATOM 0 HD12 ILE A 302 4.562 -4.510 -4.101 1.00 0.00 H new ATOM 0 HD13 ILE A 302 4.293 -3.458 -2.691 1.00 0.00 H new ATOM 605 N ARG A 303 8.633 -6.061 -4.496 1.00 0.00 N ATOM 606 CA ARG A 303 10.081 -6.041 -4.854 1.00 0.00 C ATOM 607 C ARG A 303 10.812 -4.967 -4.043 1.00 0.00 C ATOM 608 O ARG A 303 10.448 -4.768 -2.896 1.00 0.00 O ATOM 609 CB ARG A 303 10.117 -5.704 -6.345 1.00 0.00 C ATOM 610 CG ARG A 303 10.914 -6.776 -7.093 1.00 0.00 C ATOM 611 CD ARG A 303 11.390 -6.215 -8.436 1.00 0.00 C ATOM 612 NE ARG A 303 11.191 -7.325 -9.409 1.00 0.00 N ATOM 613 CZ ARG A 303 11.745 -7.269 -10.591 1.00 0.00 C ATOM 614 NH1 ARG A 303 12.474 -6.238 -10.927 1.00 0.00 N ATOM 615 NH2 ARG A 303 11.568 -8.244 -11.439 1.00 0.00 N ATOM 616 OXT ARG A 303 11.723 -4.362 -4.584 1.00 0.00 O ATOM 0 H ARG A 303 7.995 -5.823 -5.255 1.00 0.00 H new ATOM 0 HA ARG A 303 10.572 -6.990 -4.639 1.00 0.00 H new ATOM 0 HB2 ARG A 303 9.103 -5.648 -6.740 1.00 0.00 H new ATOM 0 HB3 ARG A 303 10.573 -4.725 -6.496 1.00 0.00 H new ATOM 0 HG2 ARG A 303 11.769 -7.092 -6.495 1.00 0.00 H new ATOM 0 HG3 ARG A 303 10.295 -7.658 -7.254 1.00 0.00 H new ATOM 0 HD2 ARG A 303 10.817 -5.333 -8.721 1.00 0.00 H new ATOM 0 HD3 ARG A 303 12.436 -5.914 -8.389 1.00 0.00 H new ATOM 0 HE ARG A 303 10.621 -8.131 -9.152 1.00 0.00 H new ATOM 0 HH11 ARG A 303 12.612 -5.474 -10.266 1.00 0.00 H new ATOM 0 HH12 ARG A 303 12.905 -6.197 -11.851 1.00 0.00 H new ATOM 0 HH21 ARG A 303 10.998 -9.049 -11.179 1.00 0.00 H new ATOM 0 HH22 ARG A 303 12.000 -8.202 -12.362 1.00 0.00 H new TER 630 ARG A 303