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 Single : A 265 THR OG1 : rot 180:sc= 0.309 USER MOD Single : A 269 SER OG : rot 180:sc= -0.113 USER MOD Single : A 272 ASN : amide:sc=-0.00891 X(o=-0.0089,f=-0.16) 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 X(o=0,f=0) USER MOD Single : A 280 MET CE :methyl -154:sc= -2.49 (180deg=-4.14!) USER MOD Single : A 285 SER OG : rot 180:sc= 0 USER MOD Single : A 286 LYS NZ :NH3+ 155:sc=-0.00957 (180deg=-0.418) USER MOD Single : A 291 THR OG1 : rot 111:sc= 0.00102 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+ -117:sc= 0 (180deg=-0.173) 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 19.634 -4.361 -10.383 1.00 0.00 N ATOM 2 CA ILE A 264 18.226 -3.877 -10.480 1.00 0.00 C ATOM 3 C ILE A 264 17.945 -2.848 -9.382 1.00 0.00 C ATOM 4 O ILE A 264 16.981 -2.955 -8.650 1.00 0.00 O ATOM 5 CB ILE A 264 17.365 -5.124 -10.281 1.00 0.00 C ATOM 6 CG1 ILE A 264 17.881 -5.913 -9.075 1.00 0.00 C ATOM 7 CG2 ILE A 264 17.439 -6.002 -11.531 1.00 0.00 C ATOM 8 CD1 ILE A 264 16.701 -6.329 -8.195 1.00 0.00 C ATOM 0 HA ILE A 264 18.021 -3.388 -11.432 1.00 0.00 H new ATOM 0 HB ILE A 264 16.331 -4.826 -10.107 1.00 0.00 H new ATOM 0 HG12 ILE A 264 18.427 -6.795 -9.410 1.00 0.00 H new ATOM 0 HG13 ILE A 264 18.580 -5.305 -8.501 1.00 0.00 H new ATOM 0 HG21 ILE A 264 16.825 -6.891 -11.388 1.00 0.00 H new ATOM 0 HG22 ILE A 264 17.072 -5.442 -12.391 1.00 0.00 H new ATOM 0 HG23 ILE A 264 18.473 -6.300 -11.706 1.00 0.00 H new ATOM 0 HD11 ILE A 264 17.068 -6.891 -7.336 1.00 0.00 H new ATOM 0 HD12 ILE A 264 16.174 -5.440 -7.849 1.00 0.00 H new ATOM 0 HD13 ILE A 264 16.019 -6.953 -8.772 1.00 0.00 H new ATOM 22 N THR A 265 18.780 -1.852 -9.262 1.00 0.00 N ATOM 23 CA THR A 265 18.560 -0.817 -8.211 1.00 0.00 C ATOM 24 C THR A 265 17.294 -0.012 -8.518 1.00 0.00 C ATOM 25 O THR A 265 16.417 -0.462 -9.228 1.00 0.00 O ATOM 26 CB THR A 265 19.796 0.081 -8.275 1.00 0.00 C ATOM 27 OG1 THR A 265 19.790 0.971 -7.168 1.00 0.00 O ATOM 28 CG2 THR A 265 19.780 0.883 -9.577 1.00 0.00 C ATOM 0 H THR A 265 19.604 -1.710 -9.846 1.00 0.00 H new ATOM 0 HA THR A 265 18.425 -1.255 -7.222 1.00 0.00 H new ATOM 0 HB THR A 265 20.695 -0.535 -8.242 1.00 0.00 H new ATOM 0 HG1 THR A 265 20.582 1.546 -7.206 1.00 0.00 H new ATOM 0 HG21 THR A 265 20.662 1.523 -9.621 1.00 0.00 H new ATOM 0 HG22 THR A 265 19.785 0.199 -10.426 1.00 0.00 H new ATOM 0 HG23 THR A 265 18.882 1.500 -9.613 1.00 0.00 H new ATOM 36 N GLY A 266 17.193 1.176 -7.989 1.00 0.00 N ATOM 37 CA GLY A 266 15.985 2.008 -8.251 1.00 0.00 C ATOM 38 C GLY A 266 15.164 2.138 -6.967 1.00 0.00 C ATOM 39 O GLY A 266 15.689 2.070 -5.873 1.00 0.00 O ATOM 0 H GLY A 266 17.895 1.607 -7.387 1.00 0.00 H new ATOM 0 HA2 GLY A 266 16.281 2.995 -8.607 1.00 0.00 H new ATOM 0 HA3 GLY A 266 15.381 1.553 -9.036 1.00 0.00 H new ATOM 43 N ASP A 267 13.878 2.323 -7.090 1.00 0.00 N ATOM 44 CA ASP A 267 13.022 2.458 -5.885 1.00 0.00 C ATOM 45 C ASP A 267 13.133 1.206 -5.010 1.00 0.00 C ATOM 46 O ASP A 267 12.383 0.262 -5.163 1.00 0.00 O ATOM 47 CB ASP A 267 11.610 2.603 -6.444 1.00 0.00 C ATOM 48 CG ASP A 267 11.360 1.523 -7.498 1.00 0.00 C ATOM 49 OD1 ASP A 267 11.839 1.684 -8.608 1.00 0.00 O ATOM 50 OD2 ASP A 267 10.695 0.552 -7.177 1.00 0.00 O ATOM 0 H ASP A 267 13.384 2.386 -7.980 1.00 0.00 H new ATOM 0 HA ASP A 267 13.308 3.301 -5.256 1.00 0.00 H new ATOM 0 HB2 ASP A 267 10.879 2.516 -5.640 1.00 0.00 H new ATOM 0 HB3 ASP A 267 11.483 3.592 -6.885 1.00 0.00 H new ATOM 55 N VAL A 268 14.061 1.192 -4.093 1.00 0.00 N ATOM 56 CA VAL A 268 14.217 0.001 -3.209 1.00 0.00 C ATOM 57 C VAL A 268 12.970 -0.172 -2.335 1.00 0.00 C ATOM 58 O VAL A 268 12.011 0.564 -2.458 1.00 0.00 O ATOM 59 CB VAL A 268 15.447 0.307 -2.351 1.00 0.00 C ATOM 60 CG1 VAL A 268 15.081 1.317 -1.261 1.00 0.00 C ATOM 61 CG2 VAL A 268 15.948 -0.985 -1.699 1.00 0.00 C ATOM 0 H VAL A 268 14.718 1.953 -3.917 1.00 0.00 H new ATOM 0 HA VAL A 268 14.337 -0.925 -3.772 1.00 0.00 H new ATOM 0 HB VAL A 268 16.230 0.727 -2.983 1.00 0.00 H new ATOM 0 HG11 VAL A 268 15.960 1.531 -0.653 1.00 0.00 H new ATOM 0 HG12 VAL A 268 14.726 2.238 -1.723 1.00 0.00 H new ATOM 0 HG13 VAL A 268 14.296 0.902 -0.629 1.00 0.00 H new ATOM 0 HG21 VAL A 268 16.824 -0.768 -1.088 1.00 0.00 H new ATOM 0 HG22 VAL A 268 15.162 -1.404 -1.071 1.00 0.00 H new ATOM 0 HG23 VAL A 268 16.215 -1.704 -2.474 1.00 0.00 H new ATOM 71 N SER A 269 12.975 -1.138 -1.456 1.00 0.00 N ATOM 72 CA SER A 269 11.789 -1.354 -0.578 1.00 0.00 C ATOM 73 C SER A 269 11.253 -0.010 -0.077 1.00 0.00 C ATOM 74 O SER A 269 10.069 0.257 -0.132 1.00 0.00 O ATOM 75 CB SER A 269 12.309 -2.191 0.590 1.00 0.00 C ATOM 76 OG SER A 269 13.681 -1.891 0.807 1.00 0.00 O ATOM 0 H SER A 269 13.748 -1.786 -1.308 1.00 0.00 H new ATOM 0 HA SER A 269 10.971 -1.849 -1.102 1.00 0.00 H new ATOM 0 HB2 SER A 269 11.732 -1.979 1.490 1.00 0.00 H new ATOM 0 HB3 SER A 269 12.186 -3.253 0.375 1.00 0.00 H new ATOM 0 HG SER A 269 14.018 -2.425 1.557 1.00 0.00 H new ATOM 82 N ALA A 270 12.118 0.837 0.410 1.00 0.00 N ATOM 83 CA ALA A 270 11.663 2.163 0.912 1.00 0.00 C ATOM 84 C ALA A 270 10.631 2.765 -0.045 1.00 0.00 C ATOM 85 O ALA A 270 9.491 2.982 0.312 1.00 0.00 O ATOM 86 CB ALA A 270 12.926 3.024 0.949 1.00 0.00 C ATOM 0 H ALA A 270 13.121 0.667 0.482 1.00 0.00 H new ATOM 0 HA ALA A 270 11.186 2.094 1.890 1.00 0.00 H new ATOM 0 HB1 ALA A 270 12.676 4.022 1.310 1.00 0.00 H new ATOM 0 HB2 ALA A 270 13.657 2.569 1.618 1.00 0.00 H new ATOM 0 HB3 ALA A 270 13.347 3.096 -0.054 1.00 0.00 H new ATOM 92 N ALA A 271 11.025 3.040 -1.259 1.00 0.00 N ATOM 93 CA ALA A 271 10.073 3.629 -2.238 1.00 0.00 C ATOM 94 C ALA A 271 8.788 2.798 -2.297 1.00 0.00 C ATOM 95 O ALA A 271 7.695 3.316 -2.188 1.00 0.00 O ATOM 96 CB ALA A 271 10.805 3.583 -3.579 1.00 0.00 C ATOM 0 H ALA A 271 11.968 2.881 -1.614 1.00 0.00 H new ATOM 0 HA ALA A 271 9.780 4.644 -1.968 1.00 0.00 H new ATOM 0 HB1 ALA A 271 10.166 4.002 -4.357 1.00 0.00 H new ATOM 0 HB2 ALA A 271 11.724 4.165 -3.512 1.00 0.00 H new ATOM 0 HB3 ALA A 271 11.047 2.549 -3.826 1.00 0.00 H new ATOM 102 N ASN A 272 8.913 1.510 -2.471 1.00 0.00 N ATOM 103 CA ASN A 272 7.701 0.644 -2.540 1.00 0.00 C ATOM 104 C ASN A 272 6.727 1.002 -1.413 1.00 0.00 C ATOM 105 O ASN A 272 5.590 1.358 -1.654 1.00 0.00 O ATOM 106 CB ASN A 272 8.224 -0.782 -2.364 1.00 0.00 C ATOM 107 CG ASN A 272 8.770 -1.293 -3.698 1.00 0.00 C ATOM 108 OD1 ASN A 272 9.952 -1.539 -3.830 1.00 0.00 O ATOM 109 ND2 ASN A 272 7.953 -1.464 -4.701 1.00 0.00 N ATOM 0 H ASN A 272 9.802 1.020 -2.568 1.00 0.00 H new ATOM 0 HA ASN A 272 7.159 0.767 -3.477 1.00 0.00 H new ATOM 0 HB2 ASN A 272 9.007 -0.803 -1.606 1.00 0.00 H new ATOM 0 HB3 ASN A 272 7.424 -1.434 -2.013 1.00 0.00 H new ATOM 0 HD21 ASN A 272 8.307 -1.804 -5.595 1.00 0.00 H new ATOM 0 HD22 ASN A 272 6.960 -1.258 -4.591 1.00 0.00 H new ATOM 116 N LYS A 273 7.163 0.907 -0.186 1.00 0.00 N ATOM 117 CA LYS A 273 6.263 1.238 0.954 1.00 0.00 C ATOM 118 C LYS A 273 5.451 2.498 0.642 1.00 0.00 C ATOM 119 O LYS A 273 4.255 2.441 0.435 1.00 0.00 O ATOM 120 CB LYS A 273 7.199 1.484 2.138 1.00 0.00 C ATOM 121 CG LYS A 273 7.864 0.167 2.545 1.00 0.00 C ATOM 122 CD LYS A 273 7.223 -0.353 3.833 1.00 0.00 C ATOM 123 CE LYS A 273 7.733 -1.766 4.124 1.00 0.00 C ATOM 124 NZ LYS A 273 6.953 -2.221 5.309 1.00 0.00 N ATOM 0 H LYS A 273 8.104 0.614 0.076 1.00 0.00 H new ATOM 0 HA LYS A 273 5.546 0.442 1.157 1.00 0.00 H new ATOM 0 HB2 LYS A 273 7.958 2.219 1.869 1.00 0.00 H new ATOM 0 HB3 LYS A 273 6.640 1.896 2.978 1.00 0.00 H new ATOM 0 HG2 LYS A 273 7.754 -0.569 1.749 1.00 0.00 H new ATOM 0 HG3 LYS A 273 8.933 0.318 2.694 1.00 0.00 H new ATOM 0 HD2 LYS A 273 7.463 0.310 4.664 1.00 0.00 H new ATOM 0 HD3 LYS A 273 6.138 -0.360 3.734 1.00 0.00 H new ATOM 0 HE2 LYS A 273 7.576 -2.426 3.271 1.00 0.00 H new ATOM 0 HE3 LYS A 273 8.803 -1.764 4.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 273 7.247 -3.184 5.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 273 7.128 -1.578 6.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 273 5.939 -2.219 5.079 1.00 0.00 H new ATOM 138 N ASP A 274 6.092 3.634 0.607 1.00 0.00 N ATOM 139 CA ASP A 274 5.360 4.896 0.309 1.00 0.00 C ATOM 140 C ASP A 274 4.361 4.676 -0.830 1.00 0.00 C ATOM 141 O ASP A 274 3.180 4.923 -0.688 1.00 0.00 O ATOM 142 CB ASP A 274 6.442 5.891 -0.111 1.00 0.00 C ATOM 143 CG ASP A 274 6.018 7.306 0.287 1.00 0.00 C ATOM 144 OD1 ASP A 274 5.134 7.426 1.119 1.00 0.00 O ATOM 145 OD2 ASP A 274 6.584 8.246 -0.246 1.00 0.00 O ATOM 0 H ASP A 274 7.093 3.742 0.772 1.00 0.00 H new ATOM 0 HA ASP A 274 4.788 5.252 1.166 1.00 0.00 H new ATOM 0 HB2 ASP A 274 7.389 5.637 0.365 1.00 0.00 H new ATOM 0 HB3 ASP A 274 6.602 5.837 -1.188 1.00 0.00 H new ATOM 150 N ALA A 275 4.826 4.215 -1.959 1.00 0.00 N ATOM 151 CA ALA A 275 3.906 3.981 -3.107 1.00 0.00 C ATOM 152 C ALA A 275 2.604 3.338 -2.622 1.00 0.00 C ATOM 153 O ALA A 275 1.555 3.951 -2.637 1.00 0.00 O ATOM 154 CB ALA A 275 4.664 3.030 -4.034 1.00 0.00 C ATOM 0 H ALA A 275 5.805 3.990 -2.136 1.00 0.00 H new ATOM 0 HA ALA A 275 3.631 4.908 -3.611 1.00 0.00 H new ATOM 0 HB1 ALA A 275 4.051 2.808 -4.907 1.00 0.00 H new ATOM 0 HB2 ALA A 275 5.595 3.498 -4.354 1.00 0.00 H new ATOM 0 HB3 ALA A 275 4.887 2.105 -3.503 1.00 0.00 H new ATOM 160 N ILE A 276 2.662 2.106 -2.194 1.00 0.00 N ATOM 161 CA ILE A 276 1.429 1.425 -1.711 1.00 0.00 C ATOM 162 C ILE A 276 0.603 2.375 -0.839 1.00 0.00 C ATOM 163 O ILE A 276 -0.600 2.472 -0.978 1.00 0.00 O ATOM 164 CB ILE A 276 1.929 0.239 -0.888 1.00 0.00 C ATOM 165 CG1 ILE A 276 2.738 -0.698 -1.787 1.00 0.00 C ATOM 166 CG2 ILE A 276 0.735 -0.519 -0.306 1.00 0.00 C ATOM 167 CD1 ILE A 276 4.050 -1.067 -1.092 1.00 0.00 C ATOM 0 H ILE A 276 3.511 1.542 -2.158 1.00 0.00 H new ATOM 0 HA ILE A 276 0.784 1.110 -2.531 1.00 0.00 H new ATOM 0 HB ILE A 276 2.560 0.600 -0.076 1.00 0.00 H new ATOM 0 HG12 ILE A 276 2.163 -1.598 -2.003 1.00 0.00 H new ATOM 0 HG13 ILE A 276 2.944 -0.215 -2.742 1.00 0.00 H new ATOM 0 HG21 ILE A 276 1.092 -1.365 0.281 1.00 0.00 H new ATOM 0 HG22 ILE A 276 0.157 0.148 0.333 1.00 0.00 H new ATOM 0 HG23 ILE A 276 0.103 -0.881 -1.117 1.00 0.00 H new ATOM 0 HD11 ILE A 276 4.626 -1.735 -1.733 1.00 0.00 H new ATOM 0 HD12 ILE A 276 4.627 -0.162 -0.899 1.00 0.00 H new ATOM 0 HD13 ILE A 276 3.834 -1.567 -0.148 1.00 0.00 H new ATOM 179 N ARG A 277 1.238 3.075 0.060 1.00 0.00 N ATOM 180 CA ARG A 277 0.486 4.016 0.940 1.00 0.00 C ATOM 181 C ARG A 277 -0.465 4.877 0.104 1.00 0.00 C ATOM 182 O ARG A 277 -1.670 4.796 0.240 1.00 0.00 O ATOM 183 CB ARG A 277 1.557 4.885 1.600 1.00 0.00 C ATOM 184 CG ARG A 277 1.018 5.445 2.918 1.00 0.00 C ATOM 185 CD ARG A 277 1.928 5.011 4.069 1.00 0.00 C ATOM 186 NE ARG A 277 1.050 4.222 4.977 1.00 0.00 N ATOM 187 CZ ARG A 277 1.394 4.034 6.224 1.00 0.00 C ATOM 188 NH1 ARG A 277 2.511 4.534 6.680 1.00 0.00 N ATOM 189 NH2 ARG A 277 0.619 3.343 7.015 1.00 0.00 N ATOM 0 H ARG A 277 2.244 3.037 0.224 1.00 0.00 H new ATOM 0 HA ARG A 277 -0.124 3.493 1.676 1.00 0.00 H new ATOM 0 HB2 ARG A 277 2.456 4.297 1.783 1.00 0.00 H new ATOM 0 HB3 ARG A 277 1.840 5.701 0.934 1.00 0.00 H new ATOM 0 HG2 ARG A 277 0.969 6.533 2.870 1.00 0.00 H new ATOM 0 HG3 ARG A 277 0.003 5.087 3.089 1.00 0.00 H new ATOM 0 HD2 ARG A 277 2.763 4.411 3.707 1.00 0.00 H new ATOM 0 HD3 ARG A 277 2.354 5.873 4.582 1.00 0.00 H new ATOM 0 HE ARG A 277 0.178 3.827 4.625 1.00 0.00 H new ATOM 0 HH11 ARG A 277 3.118 5.073 6.063 1.00 0.00 H new ATOM 0 HH12 ARG A 277 2.776 4.385 7.654 1.00 0.00 H new ATOM 0 HH21 ARG A 277 -0.253 2.951 6.660 1.00 0.00 H new ATOM 0 HH22 ARG A 277 0.885 3.195 7.988 1.00 0.00 H new ATOM 203 N LYS A 278 0.067 5.702 -0.756 1.00 0.00 N ATOM 204 CA LYS A 278 -0.805 6.569 -1.599 1.00 0.00 C ATOM 205 C LYS A 278 -2.012 5.777 -2.106 1.00 0.00 C ATOM 206 O LYS A 278 -3.140 6.048 -1.744 1.00 0.00 O ATOM 207 CB LYS A 278 0.080 7.005 -2.768 1.00 0.00 C ATOM 208 CG LYS A 278 0.277 8.521 -2.721 1.00 0.00 C ATOM 209 CD LYS A 278 0.915 8.912 -1.387 1.00 0.00 C ATOM 210 CE LYS A 278 2.354 9.373 -1.625 1.00 0.00 C ATOM 211 NZ LYS A 278 2.256 10.842 -1.846 1.00 0.00 N ATOM 0 H LYS A 278 1.069 5.813 -0.912 1.00 0.00 H new ATOM 0 HA LYS A 278 -1.197 7.421 -1.044 1.00 0.00 H new ATOM 0 HB2 LYS A 278 1.045 6.500 -2.715 1.00 0.00 H new ATOM 0 HB3 LYS A 278 -0.380 6.716 -3.713 1.00 0.00 H new ATOM 0 HG2 LYS A 278 0.911 8.842 -3.547 1.00 0.00 H new ATOM 0 HG3 LYS A 278 -0.681 9.027 -2.840 1.00 0.00 H new ATOM 0 HD2 LYS A 278 0.340 9.709 -0.916 1.00 0.00 H new ATOM 0 HD3 LYS A 278 0.902 8.063 -0.703 1.00 0.00 H new ATOM 0 HE2 LYS A 278 2.989 9.144 -0.769 1.00 0.00 H new ATOM 0 HE3 LYS A 278 2.791 8.872 -2.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 278 3.205 11.231 -2.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 278 1.651 11.029 -2.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 278 1.843 11.293 -1.005 1.00 0.00 H new ATOM 225 N GLN A 279 -1.782 4.800 -2.943 1.00 0.00 N ATOM 226 CA GLN A 279 -2.913 3.989 -3.476 1.00 0.00 C ATOM 227 C GLN A 279 -3.920 3.689 -2.363 1.00 0.00 C ATOM 228 O GLN A 279 -5.086 4.015 -2.461 1.00 0.00 O ATOM 229 CB GLN A 279 -2.270 2.697 -3.981 1.00 0.00 C ATOM 230 CG GLN A 279 -2.250 2.699 -5.510 1.00 0.00 C ATOM 231 CD GLN A 279 -1.662 1.380 -6.015 1.00 0.00 C ATOM 232 OE1 GLN A 279 -0.462 1.191 -6.003 1.00 0.00 O ATOM 233 NE2 GLN A 279 -2.464 0.451 -6.462 1.00 0.00 N ATOM 0 H GLN A 279 -0.858 4.529 -3.280 1.00 0.00 H new ATOM 0 HA GLN A 279 -3.458 4.508 -4.264 1.00 0.00 H new ATOM 0 HB2 GLN A 279 -1.255 2.608 -3.594 1.00 0.00 H new ATOM 0 HB3 GLN A 279 -2.827 1.834 -3.615 1.00 0.00 H new ATOM 0 HG2 GLN A 279 -3.260 2.831 -5.897 1.00 0.00 H new ATOM 0 HG3 GLN A 279 -1.657 3.537 -5.875 1.00 0.00 H new ATOM 0 HE21 GLN A 279 -3.472 0.609 -6.472 1.00 0.00 H new ATOM 0 HE22 GLN A 279 -2.083 -0.432 -6.801 1.00 0.00 H new ATOM 242 N MET A 280 -3.476 3.073 -1.301 1.00 0.00 N ATOM 243 CA MET A 280 -4.407 2.757 -0.182 1.00 0.00 C ATOM 244 C MET A 280 -5.199 4.007 0.207 1.00 0.00 C ATOM 245 O MET A 280 -6.396 4.076 0.019 1.00 0.00 O ATOM 246 CB MET A 280 -3.506 2.314 0.971 1.00 0.00 C ATOM 247 CG MET A 280 -2.893 0.951 0.647 1.00 0.00 C ATOM 248 SD MET A 280 -1.707 0.501 1.937 1.00 0.00 S ATOM 249 CE MET A 280 -2.717 -0.764 2.744 1.00 0.00 C ATOM 0 H MET A 280 -2.510 2.776 -1.161 1.00 0.00 H new ATOM 0 HA MET A 280 -5.132 1.988 -0.449 1.00 0.00 H new ATOM 0 HB2 MET A 280 -2.718 3.049 1.134 1.00 0.00 H new ATOM 0 HB3 MET A 280 -4.082 2.255 1.894 1.00 0.00 H new ATOM 0 HG2 MET A 280 -3.676 0.195 0.578 1.00 0.00 H new ATOM 0 HG3 MET A 280 -2.396 0.985 -0.323 1.00 0.00 H new ATOM 0 HE1 MET A 280 -2.421 -0.854 3.789 1.00 0.00 H new ATOM 0 HE2 MET A 280 -3.768 -0.481 2.688 1.00 0.00 H new ATOM 0 HE3 MET A 280 -2.572 -1.720 2.242 1.00 0.00 H new ATOM 259 N ASP A 281 -4.538 4.995 0.745 1.00 0.00 N ATOM 260 CA ASP A 281 -5.251 6.243 1.143 1.00 0.00 C ATOM 261 C ASP A 281 -6.261 6.640 0.063 1.00 0.00 C ATOM 262 O ASP A 281 -7.418 6.889 0.340 1.00 0.00 O ATOM 263 CB ASP A 281 -4.156 7.302 1.267 1.00 0.00 C ATOM 264 CG ASP A 281 -4.487 8.247 2.424 1.00 0.00 C ATOM 265 OD1 ASP A 281 -5.544 8.084 3.012 1.00 0.00 O ATOM 266 OD2 ASP A 281 -3.678 9.116 2.703 1.00 0.00 O ATOM 0 H ASP A 281 -3.534 4.992 0.927 1.00 0.00 H new ATOM 0 HA ASP A 281 -5.809 6.123 2.072 1.00 0.00 H new ATOM 0 HB2 ASP A 281 -3.191 6.824 1.438 1.00 0.00 H new ATOM 0 HB3 ASP A 281 -4.072 7.864 0.337 1.00 0.00 H new ATOM 271 N ALA A 282 -5.831 6.701 -1.167 1.00 0.00 N ATOM 272 CA ALA A 282 -6.760 7.083 -2.267 1.00 0.00 C ATOM 273 C ALA A 282 -8.116 6.393 -2.087 1.00 0.00 C ATOM 274 O ALA A 282 -9.142 7.037 -2.001 1.00 0.00 O ATOM 275 CB ALA A 282 -6.078 6.598 -3.545 1.00 0.00 C ATOM 0 H ALA A 282 -4.874 6.502 -1.458 1.00 0.00 H new ATOM 0 HA ALA A 282 -6.954 8.155 -2.287 1.00 0.00 H new ATOM 0 HB1 ALA A 282 -6.701 6.842 -4.405 1.00 0.00 H new ATOM 0 HB2 ALA A 282 -5.109 7.087 -3.648 1.00 0.00 H new ATOM 0 HB3 ALA A 282 -5.936 5.518 -3.495 1.00 0.00 H new ATOM 281 N ALA A 283 -8.130 5.089 -2.037 1.00 0.00 N ATOM 282 CA ALA A 283 -9.422 4.364 -1.870 1.00 0.00 C ATOM 283 C ALA A 283 -9.746 4.178 -0.384 1.00 0.00 C ATOM 284 O ALA A 283 -10.844 3.805 -0.021 1.00 0.00 O ATOM 285 CB ALA A 283 -9.205 3.009 -2.544 1.00 0.00 C ATOM 0 H ALA A 283 -7.304 4.495 -2.104 1.00 0.00 H new ATOM 0 HA ALA A 283 -10.258 4.911 -2.307 1.00 0.00 H new ATOM 0 HB1 ALA A 283 -10.114 2.413 -2.464 1.00 0.00 H new ATOM 0 HB2 ALA A 283 -8.962 3.161 -3.596 1.00 0.00 H new ATOM 0 HB3 ALA A 283 -8.384 2.486 -2.054 1.00 0.00 H new ATOM 291 N ALA A 284 -8.798 4.428 0.477 1.00 0.00 N ATOM 292 CA ALA A 284 -9.054 4.257 1.936 1.00 0.00 C ATOM 293 C ALA A 284 -9.803 5.471 2.497 1.00 0.00 C ATOM 294 O ALA A 284 -10.961 5.384 2.855 1.00 0.00 O ATOM 295 CB ALA A 284 -7.667 4.141 2.569 1.00 0.00 C ATOM 0 H ALA A 284 -7.859 4.743 0.234 1.00 0.00 H new ATOM 0 HA ALA A 284 -9.674 3.385 2.144 1.00 0.00 H new ATOM 0 HB1 ALA A 284 -7.768 4.012 3.647 1.00 0.00 H new ATOM 0 HB2 ALA A 284 -7.146 3.281 2.148 1.00 0.00 H new ATOM 0 HB3 ALA A 284 -7.097 5.047 2.364 1.00 0.00 H new ATOM 301 N SER A 285 -9.152 6.599 2.583 1.00 0.00 N ATOM 302 CA SER A 285 -9.829 7.810 3.128 1.00 0.00 C ATOM 303 C SER A 285 -10.608 8.530 2.024 1.00 0.00 C ATOM 304 O SER A 285 -10.579 9.740 1.920 1.00 0.00 O ATOM 305 CB SER A 285 -8.697 8.695 3.649 1.00 0.00 C ATOM 306 OG SER A 285 -8.206 8.161 4.871 1.00 0.00 O ATOM 0 H SER A 285 -8.182 6.734 2.300 1.00 0.00 H new ATOM 0 HA SER A 285 -10.548 7.562 3.909 1.00 0.00 H new ATOM 0 HB2 SER A 285 -7.894 8.748 2.914 1.00 0.00 H new ATOM 0 HB3 SER A 285 -9.057 9.712 3.802 1.00 0.00 H new ATOM 0 HG SER A 285 -7.479 8.726 5.206 1.00 0.00 H new ATOM 312 N LYS A 286 -11.304 7.797 1.198 1.00 0.00 N ATOM 313 CA LYS A 286 -12.080 8.445 0.105 1.00 0.00 C ATOM 314 C LYS A 286 -13.523 7.932 0.087 1.00 0.00 C ATOM 315 O LYS A 286 -14.428 8.615 -0.349 1.00 0.00 O ATOM 316 CB LYS A 286 -11.354 8.052 -1.182 1.00 0.00 C ATOM 317 CG LYS A 286 -12.180 8.493 -2.392 1.00 0.00 C ATOM 318 CD LYS A 286 -11.651 7.802 -3.650 1.00 0.00 C ATOM 319 CE LYS A 286 -12.818 7.177 -4.419 1.00 0.00 C ATOM 320 NZ LYS A 286 -13.659 8.330 -4.844 1.00 0.00 N ATOM 0 H LYS A 286 -11.368 6.780 1.233 1.00 0.00 H new ATOM 0 HA LYS A 286 -12.137 9.526 0.231 1.00 0.00 H new ATOM 0 HB2 LYS A 286 -10.369 8.517 -1.212 1.00 0.00 H new ATOM 0 HB3 LYS A 286 -11.198 6.974 -1.209 1.00 0.00 H new ATOM 0 HG2 LYS A 286 -13.230 8.242 -2.240 1.00 0.00 H new ATOM 0 HG3 LYS A 286 -12.125 9.575 -2.508 1.00 0.00 H new ATOM 0 HD2 LYS A 286 -11.130 8.522 -4.281 1.00 0.00 H new ATOM 0 HD3 LYS A 286 -10.927 7.033 -3.378 1.00 0.00 H new ATOM 0 HE2 LYS A 286 -12.465 6.608 -5.279 1.00 0.00 H new ATOM 0 HE3 LYS A 286 -13.381 6.488 -3.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 286 -14.205 8.068 -5.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 286 -14.311 8.586 -4.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 286 -13.048 9.142 -5.064 1.00 0.00 H new ATOM 334 N GLY A 287 -13.745 6.735 0.552 1.00 0.00 N ATOM 335 CA GLY A 287 -15.127 6.181 0.555 1.00 0.00 C ATOM 336 C GLY A 287 -15.073 4.706 0.160 1.00 0.00 C ATOM 337 O GLY A 287 -15.698 3.864 0.774 1.00 0.00 O ATOM 0 H GLY A 287 -13.028 6.116 0.931 1.00 0.00 H new ATOM 0 HA2 GLY A 287 -15.574 6.290 1.543 1.00 0.00 H new ATOM 0 HA3 GLY A 287 -15.756 6.735 -0.142 1.00 0.00 H new ATOM 341 N ASP A 288 -14.323 4.386 -0.857 1.00 0.00 N ATOM 342 CA ASP A 288 -14.219 2.965 -1.287 1.00 0.00 C ATOM 343 C ASP A 288 -13.222 2.229 -0.391 1.00 0.00 C ATOM 344 O ASP A 288 -12.299 1.592 -0.859 1.00 0.00 O ATOM 345 CB ASP A 288 -13.713 3.017 -2.728 1.00 0.00 C ATOM 346 CG ASP A 288 -13.596 1.595 -3.280 1.00 0.00 C ATOM 347 OD1 ASP A 288 -14.626 0.998 -3.547 1.00 0.00 O ATOM 348 OD2 ASP A 288 -12.479 1.128 -3.427 1.00 0.00 O ATOM 0 H ASP A 288 -13.777 5.048 -1.409 1.00 0.00 H new ATOM 0 HA ASP A 288 -15.170 2.437 -1.216 1.00 0.00 H new ATOM 0 HB2 ASP A 288 -14.396 3.602 -3.344 1.00 0.00 H new ATOM 0 HB3 ASP A 288 -12.744 3.514 -2.767 1.00 0.00 H new ATOM 353 N VAL A 289 -13.403 2.317 0.897 1.00 0.00 N ATOM 354 CA VAL A 289 -12.468 1.629 1.832 1.00 0.00 C ATOM 355 C VAL A 289 -12.406 0.134 1.511 1.00 0.00 C ATOM 356 O VAL A 289 -11.501 -0.561 1.926 1.00 0.00 O ATOM 357 CB VAL A 289 -13.052 1.864 3.225 1.00 0.00 C ATOM 358 CG1 VAL A 289 -12.022 1.465 4.283 1.00 0.00 C ATOM 359 CG2 VAL A 289 -13.398 3.347 3.389 1.00 0.00 C ATOM 0 H VAL A 289 -14.159 2.836 1.344 1.00 0.00 H new ATOM 0 HA VAL A 289 -11.449 2.009 1.754 1.00 0.00 H new ATOM 0 HB VAL A 289 -13.953 1.263 3.347 1.00 0.00 H new ATOM 0 HG11 VAL A 289 -12.438 1.632 5.277 1.00 0.00 H new ATOM 0 HG12 VAL A 289 -11.771 0.411 4.167 1.00 0.00 H new ATOM 0 HG13 VAL A 289 -11.122 2.067 4.160 1.00 0.00 H new ATOM 0 HG21 VAL A 289 -13.815 3.516 4.382 1.00 0.00 H new ATOM 0 HG22 VAL A 289 -12.496 3.947 3.267 1.00 0.00 H new ATOM 0 HG23 VAL A 289 -14.130 3.635 2.635 1.00 0.00 H new ATOM 369 N GLU A 290 -13.354 -0.365 0.768 1.00 0.00 N ATOM 370 CA GLU A 290 -13.334 -1.809 0.418 1.00 0.00 C ATOM 371 C GLU A 290 -11.926 -2.206 -0.025 1.00 0.00 C ATOM 372 O GLU A 290 -11.238 -2.953 0.642 1.00 0.00 O ATOM 373 CB GLU A 290 -14.320 -1.944 -0.741 1.00 0.00 C ATOM 374 CG GLU A 290 -14.688 -3.416 -0.933 1.00 0.00 C ATOM 375 CD GLU A 290 -15.307 -3.612 -2.317 1.00 0.00 C ATOM 376 OE1 GLU A 290 -15.976 -2.702 -2.780 1.00 0.00 O ATOM 377 OE2 GLU A 290 -15.103 -4.669 -2.892 1.00 0.00 O ATOM 0 H GLU A 290 -14.139 0.165 0.390 1.00 0.00 H new ATOM 0 HA GLU A 290 -13.604 -2.452 1.256 1.00 0.00 H new ATOM 0 HB2 GLU A 290 -15.217 -1.358 -0.539 1.00 0.00 H new ATOM 0 HB3 GLU A 290 -13.879 -1.547 -1.655 1.00 0.00 H new ATOM 0 HG2 GLU A 290 -13.800 -4.040 -0.828 1.00 0.00 H new ATOM 0 HG3 GLU A 290 -15.391 -3.730 -0.161 1.00 0.00 H new ATOM 384 N THR A 291 -11.493 -1.703 -1.148 1.00 0.00 N ATOM 385 CA THR A 291 -10.132 -2.037 -1.643 1.00 0.00 C ATOM 386 C THR A 291 -9.091 -1.760 -0.553 1.00 0.00 C ATOM 387 O THR A 291 -8.231 -2.574 -0.282 1.00 0.00 O ATOM 388 CB THR A 291 -9.910 -1.115 -2.843 1.00 0.00 C ATOM 389 OG1 THR A 291 -10.708 -1.557 -3.932 1.00 0.00 O ATOM 390 CG2 THR A 291 -8.434 -1.143 -3.244 1.00 0.00 C ATOM 0 H THR A 291 -12.027 -1.072 -1.745 1.00 0.00 H new ATOM 0 HA THR A 291 -10.037 -3.089 -1.914 1.00 0.00 H new ATOM 0 HB THR A 291 -10.192 -0.096 -2.576 1.00 0.00 H new ATOM 0 HG1 THR A 291 -11.423 -0.908 -4.098 1.00 0.00 H new ATOM 0 HG21 THR A 291 -8.277 -0.486 -4.099 1.00 0.00 H new ATOM 0 HG22 THR A 291 -7.823 -0.803 -2.408 1.00 0.00 H new ATOM 0 HG23 THR A 291 -8.149 -2.161 -3.511 1.00 0.00 H new ATOM 398 N TYR A 292 -9.165 -0.616 0.073 1.00 0.00 N ATOM 399 CA TYR A 292 -8.181 -0.286 1.145 1.00 0.00 C ATOM 400 C TYR A 292 -7.947 -1.505 2.040 1.00 0.00 C ATOM 401 O TYR A 292 -6.865 -2.056 2.081 1.00 0.00 O ATOM 402 CB TYR A 292 -8.827 0.849 1.942 1.00 0.00 C ATOM 403 CG TYR A 292 -7.895 1.286 3.046 1.00 0.00 C ATOM 404 CD1 TYR A 292 -6.521 1.397 2.801 1.00 0.00 C ATOM 405 CD2 TYR A 292 -8.405 1.582 4.316 1.00 0.00 C ATOM 406 CE1 TYR A 292 -5.657 1.802 3.827 1.00 0.00 C ATOM 407 CE2 TYR A 292 -7.542 1.987 5.341 1.00 0.00 C ATOM 408 CZ TYR A 292 -6.168 2.097 5.096 1.00 0.00 C ATOM 409 OH TYR A 292 -5.317 2.497 6.106 1.00 0.00 O ATOM 0 H TYR A 292 -9.864 0.104 -0.111 1.00 0.00 H new ATOM 0 HA TYR A 292 -7.211 0.002 0.740 1.00 0.00 H new ATOM 0 HB2 TYR A 292 -9.047 1.690 1.284 1.00 0.00 H new ATOM 0 HB3 TYR A 292 -9.776 0.517 2.363 1.00 0.00 H new ATOM 0 HD1 TYR A 292 -6.127 1.170 1.821 1.00 0.00 H new ATOM 0 HD2 TYR A 292 -9.465 1.498 4.505 1.00 0.00 H new ATOM 0 HE1 TYR A 292 -4.597 1.886 3.639 1.00 0.00 H new ATOM 0 HE2 TYR A 292 -7.936 2.215 6.320 1.00 0.00 H new ATOM 0 HH TYR A 292 -5.833 2.663 6.922 1.00 0.00 H new ATOM 419 N ARG A 293 -8.954 -1.931 2.755 1.00 0.00 N ATOM 420 CA ARG A 293 -8.790 -3.115 3.645 1.00 0.00 C ATOM 421 C ARG A 293 -7.978 -4.200 2.932 1.00 0.00 C ATOM 422 O ARG A 293 -6.866 -4.512 3.315 1.00 0.00 O ATOM 423 CB ARG A 293 -10.212 -3.604 3.920 1.00 0.00 C ATOM 424 CG ARG A 293 -10.747 -2.932 5.186 1.00 0.00 C ATOM 425 CD ARG A 293 -11.574 -3.939 5.988 1.00 0.00 C ATOM 426 NE ARG A 293 -11.081 -3.812 7.388 1.00 0.00 N ATOM 427 CZ ARG A 293 -11.807 -4.253 8.381 1.00 0.00 C ATOM 428 NH1 ARG A 293 -12.966 -4.808 8.151 1.00 0.00 N ATOM 429 NH2 ARG A 293 -11.371 -4.138 9.606 1.00 0.00 N ATOM 0 H ARG A 293 -9.883 -1.510 2.761 1.00 0.00 H new ATOM 0 HA ARG A 293 -8.259 -2.871 4.565 1.00 0.00 H new ATOM 0 HB2 ARG A 293 -10.858 -3.373 3.073 1.00 0.00 H new ATOM 0 HB3 ARG A 293 -10.219 -4.687 4.040 1.00 0.00 H new ATOM 0 HG2 ARG A 293 -9.920 -2.561 5.791 1.00 0.00 H new ATOM 0 HG3 ARG A 293 -11.360 -2.070 4.922 1.00 0.00 H new ATOM 0 HD2 ARG A 293 -12.639 -3.717 5.923 1.00 0.00 H new ATOM 0 HD3 ARG A 293 -11.436 -4.952 5.611 1.00 0.00 H new ATOM 0 HE ARG A 293 -10.175 -3.380 7.572 1.00 0.00 H new ATOM 0 HH11 ARG A 293 -13.307 -4.898 7.194 1.00 0.00 H new ATOM 0 HH12 ARG A 293 -13.530 -5.151 8.928 1.00 0.00 H new ATOM 0 HH21 ARG A 293 -10.465 -3.705 9.786 1.00 0.00 H new ATOM 0 HH22 ARG A 293 -11.936 -4.481 10.383 1.00 0.00 H new ATOM 443 N LYS A 294 -8.525 -4.776 1.895 1.00 0.00 N ATOM 444 CA LYS A 294 -7.785 -5.834 1.155 1.00 0.00 C ATOM 445 C LYS A 294 -6.326 -5.412 0.969 1.00 0.00 C ATOM 446 O LYS A 294 -5.413 -6.093 1.392 1.00 0.00 O ATOM 447 CB LYS A 294 -8.490 -5.942 -0.197 1.00 0.00 C ATOM 448 CG LYS A 294 -8.858 -7.402 -0.466 1.00 0.00 C ATOM 449 CD LYS A 294 -10.029 -7.461 -1.448 1.00 0.00 C ATOM 450 CE LYS A 294 -11.045 -8.502 -0.971 1.00 0.00 C ATOM 451 NZ LYS A 294 -12.368 -7.976 -1.406 1.00 0.00 N ATOM 0 H LYS A 294 -9.452 -4.558 1.530 1.00 0.00 H new ATOM 0 HA LYS A 294 -7.780 -6.787 1.684 1.00 0.00 H new ATOM 0 HB2 LYS A 294 -9.387 -5.323 -0.202 1.00 0.00 H new ATOM 0 HB3 LYS A 294 -7.841 -5.568 -0.989 1.00 0.00 H new ATOM 0 HG2 LYS A 294 -8.000 -7.935 -0.875 1.00 0.00 H new ATOM 0 HG3 LYS A 294 -9.126 -7.898 0.467 1.00 0.00 H new ATOM 0 HD2 LYS A 294 -10.503 -6.483 -1.524 1.00 0.00 H new ATOM 0 HD3 LYS A 294 -9.669 -7.719 -2.444 1.00 0.00 H new ATOM 0 HE2 LYS A 294 -10.845 -9.479 -1.410 1.00 0.00 H new ATOM 0 HE3 LYS A 294 -11.006 -8.625 0.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 294 -13.117 -8.636 -1.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 294 -12.534 -7.048 -0.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 294 -12.378 -7.876 -2.441 1.00 0.00 H new ATOM 465 N LEU A 295 -6.101 -4.289 0.343 1.00 0.00 N ATOM 466 CA LEU A 295 -4.704 -3.820 0.135 1.00 0.00 C ATOM 467 C LEU A 295 -3.894 -4.015 1.417 1.00 0.00 C ATOM 468 O LEU A 295 -2.860 -4.654 1.418 1.00 0.00 O ATOM 469 CB LEU A 295 -4.830 -2.334 -0.202 1.00 0.00 C ATOM 470 CG LEU A 295 -4.344 -2.093 -1.632 1.00 0.00 C ATOM 471 CD1 LEU A 295 -5.272 -2.809 -2.615 1.00 0.00 C ATOM 472 CD2 LEU A 295 -4.353 -0.591 -1.925 1.00 0.00 C ATOM 0 H LEU A 295 -6.825 -3.677 -0.033 1.00 0.00 H new ATOM 0 HA LEU A 295 -4.192 -4.371 -0.654 1.00 0.00 H new ATOM 0 HB2 LEU A 295 -5.867 -2.014 -0.100 1.00 0.00 H new ATOM 0 HB3 LEU A 295 -4.242 -1.740 0.498 1.00 0.00 H new ATOM 0 HG LEU A 295 -3.331 -2.480 -1.742 1.00 0.00 H new ATOM 0 HD11 LEU A 295 -4.925 -2.637 -3.634 1.00 0.00 H new ATOM 0 HD12 LEU A 295 -5.268 -3.879 -2.406 1.00 0.00 H new ATOM 0 HD13 LEU A 295 -6.285 -2.422 -2.506 1.00 0.00 H new ATOM 0 HD21 LEU A 295 -4.007 -0.417 -2.944 1.00 0.00 H new ATOM 0 HD22 LEU A 295 -5.366 -0.205 -1.815 1.00 0.00 H new ATOM 0 HD23 LEU A 295 -3.692 -0.080 -1.225 1.00 0.00 H new ATOM 484 N LYS A 296 -4.359 -3.473 2.511 1.00 0.00 N ATOM 485 CA LYS A 296 -3.621 -3.632 3.794 1.00 0.00 C ATOM 486 C LYS A 296 -3.131 -5.073 3.934 1.00 0.00 C ATOM 487 O LYS A 296 -1.949 -5.329 4.062 1.00 0.00 O ATOM 488 CB LYS A 296 -4.643 -3.302 4.883 1.00 0.00 C ATOM 489 CG LYS A 296 -3.940 -3.235 6.240 1.00 0.00 C ATOM 490 CD LYS A 296 -4.889 -2.629 7.277 1.00 0.00 C ATOM 491 CE LYS A 296 -4.197 -2.589 8.641 1.00 0.00 C ATOM 492 NZ LYS A 296 -4.314 -3.975 9.172 1.00 0.00 N ATOM 0 H LYS A 296 -5.219 -2.927 2.570 1.00 0.00 H new ATOM 0 HA LYS A 296 -2.744 -2.987 3.855 1.00 0.00 H new ATOM 0 HB2 LYS A 296 -5.128 -2.350 4.665 1.00 0.00 H new ATOM 0 HB3 LYS A 296 -5.425 -4.061 4.904 1.00 0.00 H new ATOM 0 HG2 LYS A 296 -3.633 -4.233 6.552 1.00 0.00 H new ATOM 0 HG3 LYS A 296 -3.035 -2.632 6.163 1.00 0.00 H new ATOM 0 HD2 LYS A 296 -5.180 -1.623 6.975 1.00 0.00 H new ATOM 0 HD3 LYS A 296 -5.803 -3.220 7.338 1.00 0.00 H new ATOM 0 HE2 LYS A 296 -3.153 -2.289 8.546 1.00 0.00 H new ATOM 0 HE3 LYS A 296 -4.676 -1.870 9.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 296 -4.882 -3.966 10.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 296 -4.775 -4.580 8.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 296 -3.366 -4.348 9.381 1.00 0.00 H new ATOM 506 N ALA A 297 -4.030 -6.019 3.903 1.00 0.00 N ATOM 507 CA ALA A 297 -3.615 -7.442 4.026 1.00 0.00 C ATOM 508 C ALA A 297 -2.399 -7.706 3.134 1.00 0.00 C ATOM 509 O ALA A 297 -1.339 -8.070 3.604 1.00 0.00 O ATOM 510 CB ALA A 297 -4.820 -8.250 3.547 1.00 0.00 C ATOM 0 H ALA A 297 -5.033 -5.866 3.798 1.00 0.00 H new ATOM 0 HA ALA A 297 -3.331 -7.708 5.044 1.00 0.00 H new ATOM 0 HB1 ALA A 297 -4.592 -9.314 3.608 1.00 0.00 H new ATOM 0 HB2 ALA A 297 -5.681 -8.027 4.177 1.00 0.00 H new ATOM 0 HB3 ALA A 297 -5.048 -7.986 2.514 1.00 0.00 H new ATOM 516 N LYS A 298 -2.545 -7.520 1.850 1.00 0.00 N ATOM 517 CA LYS A 298 -1.401 -7.754 0.925 1.00 0.00 C ATOM 518 C LYS A 298 -0.115 -7.182 1.527 1.00 0.00 C ATOM 519 O LYS A 298 0.865 -7.880 1.698 1.00 0.00 O ATOM 520 CB LYS A 298 -1.771 -7.009 -0.358 1.00 0.00 C ATOM 521 CG LYS A 298 -1.048 -7.646 -1.547 1.00 0.00 C ATOM 522 CD LYS A 298 -1.887 -7.461 -2.813 1.00 0.00 C ATOM 523 CE LYS A 298 -2.752 -8.703 -3.040 1.00 0.00 C ATOM 524 NZ LYS A 298 -3.398 -8.484 -4.364 1.00 0.00 N ATOM 0 H LYS A 298 -3.409 -7.216 1.402 1.00 0.00 H new ATOM 0 HA LYS A 298 -1.224 -8.814 0.743 1.00 0.00 H new ATOM 0 HB2 LYS A 298 -2.849 -7.045 -0.513 1.00 0.00 H new ATOM 0 HB3 LYS A 298 -1.496 -5.958 -0.273 1.00 0.00 H new ATOM 0 HG2 LYS A 298 -0.067 -7.188 -1.678 1.00 0.00 H new ATOM 0 HG3 LYS A 298 -0.882 -8.707 -1.360 1.00 0.00 H new ATOM 0 HD2 LYS A 298 -2.519 -6.578 -2.717 1.00 0.00 H new ATOM 0 HD3 LYS A 298 -1.237 -7.296 -3.672 1.00 0.00 H new ATOM 0 HE2 LYS A 298 -2.148 -9.610 -3.041 1.00 0.00 H new ATOM 0 HE3 LYS A 298 -3.496 -8.816 -2.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 298 -4.009 -9.295 -4.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 298 -3.972 -7.617 -4.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 298 -2.665 -8.387 -5.096 1.00 0.00 H new ATOM 538 N LEU A 299 -0.113 -5.917 1.848 1.00 0.00 N ATOM 539 CA LEU A 299 1.106 -5.296 2.438 1.00 0.00 C ATOM 540 C LEU A 299 1.732 -6.237 3.470 1.00 0.00 C ATOM 541 O LEU A 299 2.925 -6.466 3.473 1.00 0.00 O ATOM 542 CB LEU A 299 0.611 -4.015 3.112 1.00 0.00 C ATOM 543 CG LEU A 299 1.806 -3.128 3.463 1.00 0.00 C ATOM 544 CD1 LEU A 299 2.159 -2.249 2.262 1.00 0.00 C ATOM 545 CD2 LEU A 299 1.449 -2.239 4.656 1.00 0.00 C ATOM 0 H LEU A 299 -0.905 -5.286 1.727 1.00 0.00 H new ATOM 0 HA LEU A 299 1.871 -5.093 1.688 1.00 0.00 H new ATOM 0 HB2 LEU A 299 -0.069 -3.481 2.448 1.00 0.00 H new ATOM 0 HB3 LEU A 299 0.049 -4.260 4.013 1.00 0.00 H new ATOM 0 HG LEU A 299 2.660 -3.755 3.719 1.00 0.00 H new ATOM 0 HD11 LEU A 299 3.011 -1.617 2.512 1.00 0.00 H new ATOM 0 HD12 LEU A 299 2.413 -2.881 1.411 1.00 0.00 H new ATOM 0 HD13 LEU A 299 1.305 -1.622 2.006 1.00 0.00 H new ATOM 0 HD21 LEU A 299 2.301 -1.607 4.906 1.00 0.00 H new ATOM 0 HD22 LEU A 299 0.595 -1.612 4.400 1.00 0.00 H new ATOM 0 HD23 LEU A 299 1.197 -2.864 5.513 1.00 0.00 H new ATOM 557 N LYS A 300 0.935 -6.786 4.346 1.00 0.00 N ATOM 558 CA LYS A 300 1.486 -7.714 5.375 1.00 0.00 C ATOM 559 C LYS A 300 2.159 -8.911 4.699 1.00 0.00 C ATOM 560 O LYS A 300 3.066 -9.513 5.239 1.00 0.00 O ATOM 561 CB LYS A 300 0.275 -8.168 6.190 1.00 0.00 C ATOM 562 CG LYS A 300 0.168 -7.324 7.460 1.00 0.00 C ATOM 563 CD LYS A 300 -0.718 -8.043 8.479 1.00 0.00 C ATOM 564 CE LYS A 300 -0.154 -9.439 8.751 1.00 0.00 C ATOM 565 NZ LYS A 300 -0.641 -9.791 10.114 1.00 0.00 N ATOM 0 H LYS A 300 -0.072 -6.633 4.394 1.00 0.00 H new ATOM 0 HA LYS A 300 2.240 -7.237 6.000 1.00 0.00 H new ATOM 0 HB2 LYS A 300 -0.634 -8.068 5.597 1.00 0.00 H new ATOM 0 HB3 LYS A 300 0.372 -9.222 6.449 1.00 0.00 H new ATOM 0 HG2 LYS A 300 1.159 -7.154 7.880 1.00 0.00 H new ATOM 0 HG3 LYS A 300 -0.251 -6.346 7.225 1.00 0.00 H new ATOM 0 HD2 LYS A 300 -0.763 -7.471 9.405 1.00 0.00 H new ATOM 0 HD3 LYS A 300 -1.738 -8.118 8.101 1.00 0.00 H new ATOM 0 HE2 LYS A 300 -0.503 -10.157 8.009 1.00 0.00 H new ATOM 0 HE3 LYS A 300 0.935 -9.440 8.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 300 -0.295 -10.737 10.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 300 -0.288 -9.094 10.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 300 -1.681 -9.789 10.122 1.00 0.00 H new ATOM 579 N GLY A 301 1.723 -9.260 3.520 1.00 0.00 N ATOM 580 CA GLY A 301 2.337 -10.416 2.809 1.00 0.00 C ATOM 581 C GLY A 301 3.529 -9.931 1.982 1.00 0.00 C ATOM 582 O GLY A 301 3.661 -10.252 0.818 1.00 0.00 O ATOM 0 H GLY A 301 0.967 -8.794 3.018 1.00 0.00 H new ATOM 0 HA2 GLY A 301 2.662 -11.168 3.528 1.00 0.00 H new ATOM 0 HA3 GLY A 301 1.600 -10.891 2.161 1.00 0.00 H new ATOM 586 N ILE A 302 4.396 -9.156 2.575 1.00 0.00 N ATOM 587 CA ILE A 302 5.581 -8.647 1.826 1.00 0.00 C ATOM 588 C ILE A 302 6.177 -9.757 0.956 1.00 0.00 C ATOM 589 O ILE A 302 6.373 -9.591 -0.231 1.00 0.00 O ATOM 590 CB ILE A 302 6.575 -8.218 2.905 1.00 0.00 C ATOM 591 CG1 ILE A 302 5.980 -7.064 3.716 1.00 0.00 C ATOM 592 CG2 ILE A 302 7.877 -7.758 2.247 1.00 0.00 C ATOM 593 CD1 ILE A 302 5.545 -5.945 2.768 1.00 0.00 C ATOM 0 H ILE A 302 4.335 -8.853 3.547 1.00 0.00 H new ATOM 0 HA ILE A 302 5.325 -7.826 1.157 1.00 0.00 H new ATOM 0 HB ILE A 302 6.780 -9.061 3.565 1.00 0.00 H new ATOM 0 HG12 ILE A 302 5.127 -7.415 4.297 1.00 0.00 H new ATOM 0 HG13 ILE A 302 6.716 -6.688 4.427 1.00 0.00 H new ATOM 0 HG21 ILE A 302 8.585 -7.452 3.017 1.00 0.00 H new ATOM 0 HG22 ILE A 302 8.302 -8.578 1.668 1.00 0.00 H new ATOM 0 HG23 ILE A 302 7.673 -6.915 1.586 1.00 0.00 H new ATOM 0 HD11 ILE A 302 5.121 -5.123 3.345 1.00 0.00 H new ATOM 0 HD12 ILE A 302 6.408 -5.587 2.207 1.00 0.00 H new ATOM 0 HD13 ILE A 302 4.795 -6.326 2.075 1.00 0.00 H new ATOM 605 N ARG A 303 6.467 -10.889 1.537 1.00 0.00 N ATOM 606 CA ARG A 303 7.049 -12.006 0.745 1.00 0.00 C ATOM 607 C ARG A 303 6.161 -13.249 0.850 1.00 0.00 C ATOM 608 O ARG A 303 6.663 -14.278 1.273 1.00 0.00 O ATOM 609 CB ARG A 303 8.418 -12.268 1.372 1.00 0.00 C ATOM 610 CG ARG A 303 9.359 -12.856 0.318 1.00 0.00 C ATOM 611 CD ARG A 303 10.422 -13.717 1.005 1.00 0.00 C ATOM 612 NE ARG A 303 11.495 -12.762 1.398 1.00 0.00 N ATOM 613 CZ ARG A 303 12.558 -13.191 2.025 1.00 0.00 C ATOM 614 NH1 ARG A 303 12.686 -14.459 2.310 1.00 0.00 N ATOM 615 NH2 ARG A 303 13.495 -12.350 2.367 1.00 0.00 N ATOM 616 OXT ARG A 303 4.995 -13.151 0.505 1.00 0.00 O ATOM 0 H ARG A 303 6.325 -11.087 2.527 1.00 0.00 H new ATOM 0 HA ARG A 303 7.128 -11.762 -0.314 1.00 0.00 H new ATOM 0 HB2 ARG A 303 8.832 -11.340 1.767 1.00 0.00 H new ATOM 0 HB3 ARG A 303 8.320 -12.956 2.211 1.00 0.00 H new ATOM 0 HG2 ARG A 303 8.794 -13.457 -0.394 1.00 0.00 H new ATOM 0 HG3 ARG A 303 9.835 -12.055 -0.248 1.00 0.00 H new ATOM 0 HD2 ARG A 303 10.012 -14.231 1.875 1.00 0.00 H new ATOM 0 HD3 ARG A 303 10.804 -14.485 0.332 1.00 0.00 H new ATOM 0 HE ARG A 303 11.400 -11.771 1.177 1.00 0.00 H new ATOM 0 HH11 ARG A 303 11.955 -15.118 2.043 1.00 0.00 H new ATOM 0 HH12 ARG A 303 13.517 -14.790 2.800 1.00 0.00 H new ATOM 0 HH21 ARG A 303 13.397 -11.359 2.145 1.00 0.00 H new ATOM 0 HH22 ARG A 303 14.325 -12.683 2.857 1.00 0.00 H new TER 630 ARG A 303