USER MOD reduce.3.24.130724 H: found=0, std=0, add=210, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 213 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 258 THR OG1 : rot 73:sc= 1.28 USER MOD Single : A 259 THR OG1 : rot 89:sc= 1.27 USER MOD Single : A 262 THR OG1 : rot 54:sc= 1.22 USER MOD Single : A 263 MET CE :methyl -164:sc= -0.0626 (180deg=-0.415) USER MOD Single : A 264 THR OG1 : rot -55:sc= 0.678 USER MOD Single : A 265 THR OG1 : rot 84:sc= 1.26 USER MOD Single : A 266 GLN : amide:sc= -1.22! K(o=-1.2!,f=0) USER MOD Single : A 267 SER OG : rot 180:sc= 0 USER MOD Single : A 268 SER OG : rot -61:sc= 0.852 USER MOD Single : A 270 SER OG : rot 180:sc= 0 USER MOD Single : A 273 SER OG : rot 180:sc= 0 USER MOD Single : A 276 LYS NZ :NH3+ 164:sc= -0.13 (180deg=-0.642) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 249 3.679 -9.708 -12.388 1.00 3.15 N ATOM 2 CA ALA A 249 3.984 -8.784 -11.262 1.00 2.35 C ATOM 3 C ALA A 249 2.849 -8.759 -10.242 1.00 1.70 C ATOM 4 O ALA A 249 1.696 -9.031 -10.576 1.00 2.08 O ATOM 5 CB ALA A 249 4.257 -7.381 -11.774 1.00 2.86 C ATOM 0 HA ALA A 249 4.880 -9.157 -10.766 1.00 2.35 H new ATOM 0 HB1 ALA A 249 4.477 -6.723 -10.933 1.00 2.86 H new ATOM 0 HB2 ALA A 249 5.110 -7.401 -12.453 1.00 2.86 H new ATOM 0 HB3 ALA A 249 3.380 -7.010 -12.304 1.00 2.86 H new ATOM 13 N PRO A 250 3.167 -8.435 -8.976 1.00 1.01 N ATOM 14 CA PRO A 250 2.181 -8.373 -7.892 1.00 0.87 C ATOM 15 C PRO A 250 1.189 -7.218 -8.067 1.00 0.66 C ATOM 16 O PRO A 250 1.533 -6.049 -7.868 1.00 0.58 O ATOM 17 CB PRO A 250 3.050 -8.158 -6.639 1.00 1.33 C ATOM 18 CG PRO A 250 4.432 -8.514 -7.058 1.00 1.35 C ATOM 19 CD PRO A 250 4.509 -8.097 -8.487 1.00 1.22 C ATOM 0 HA PRO A 250 1.561 -9.268 -7.850 1.00 0.87 H new ATOM 0 HB2 PRO A 250 2.996 -7.125 -6.295 1.00 1.33 H new ATOM 0 HB3 PRO A 250 2.714 -8.786 -5.814 1.00 1.33 H new ATOM 0 HG2 PRO A 250 5.176 -7.996 -6.453 1.00 1.35 H new ATOM 0 HG3 PRO A 250 4.618 -9.582 -6.946 1.00 1.35 H new ATOM 0 HD2 PRO A 250 4.725 -7.034 -8.591 1.00 1.22 H new ATOM 0 HD3 PRO A 250 5.288 -8.635 -9.028 1.00 1.22 H new ATOM 27 N ALA A 251 -0.045 -7.554 -8.441 1.00 0.72 N ATOM 28 CA ALA A 251 -1.089 -6.550 -8.651 1.00 0.67 C ATOM 29 C ALA A 251 -1.385 -5.764 -7.372 1.00 0.51 C ATOM 30 O ALA A 251 -1.542 -4.544 -7.408 1.00 0.51 O ATOM 31 CB ALA A 251 -2.356 -7.213 -9.166 1.00 0.89 C ATOM 0 H ALA A 251 -0.347 -8.514 -8.605 1.00 0.72 H new ATOM 0 HA ALA A 251 -0.724 -5.843 -9.396 1.00 0.67 H new ATOM 0 HB1 ALA A 251 -3.126 -6.457 -9.319 1.00 0.89 H new ATOM 0 HB2 ALA A 251 -2.146 -7.713 -10.111 1.00 0.89 H new ATOM 0 HB3 ALA A 251 -2.706 -7.945 -8.438 1.00 0.89 H new ATOM 37 N ARG A 252 -1.451 -6.472 -6.248 1.00 0.47 N ATOM 38 CA ARG A 252 -1.723 -5.848 -4.954 1.00 0.42 C ATOM 39 C ARG A 252 -0.639 -4.820 -4.608 1.00 0.34 C ATOM 40 O ARG A 252 -0.940 -3.706 -4.171 1.00 0.36 O ATOM 41 CB ARG A 252 -1.801 -6.927 -3.869 1.00 0.54 C ATOM 42 CG ARG A 252 -2.814 -6.638 -2.769 1.00 0.71 C ATOM 43 CD ARG A 252 -2.473 -5.375 -1.993 1.00 0.83 C ATOM 44 NE ARG A 252 -3.440 -5.099 -0.935 1.00 1.18 N ATOM 45 CZ ARG A 252 -3.429 -4.005 -0.207 1.00 1.47 C ATOM 46 NH1 ARG A 252 -2.547 -3.067 -0.440 1.00 1.50 N ATOM 47 NH2 ARG A 252 -4.311 -3.844 0.745 1.00 1.81 N ATOM 0 H ARG A 252 -1.319 -7.483 -6.206 1.00 0.47 H new ATOM 0 HA ARG A 252 -2.678 -5.326 -5.009 1.00 0.42 H new ATOM 0 HB2 ARG A 252 -2.052 -7.879 -4.337 1.00 0.54 H new ATOM 0 HB3 ARG A 252 -0.816 -7.044 -3.418 1.00 0.54 H new ATOM 0 HG2 ARG A 252 -3.806 -6.536 -3.209 1.00 0.71 H new ATOM 0 HG3 ARG A 252 -2.855 -7.484 -2.083 1.00 0.71 H new ATOM 0 HD2 ARG A 252 -1.479 -5.476 -1.557 1.00 0.83 H new ATOM 0 HD3 ARG A 252 -2.436 -4.528 -2.679 1.00 0.83 H new ATOM 0 HE ARG A 252 -4.164 -5.793 -0.751 1.00 1.18 H new ATOM 0 HH11 ARG A 252 -1.865 -3.183 -1.189 1.00 1.50 H new ATOM 0 HH12 ARG A 252 -2.542 -2.219 0.127 1.00 1.50 H new ATOM 0 HH21 ARG A 252 -5.008 -4.568 0.923 1.00 1.81 H new ATOM 0 HH22 ARG A 252 -4.302 -2.995 1.310 1.00 1.81 H new ATOM 61 N VAL A 253 0.619 -5.196 -4.821 1.00 0.36 N ATOM 62 CA VAL A 253 1.744 -4.305 -4.547 1.00 0.40 C ATOM 63 C VAL A 253 1.707 -3.089 -5.470 1.00 0.36 C ATOM 64 O VAL A 253 1.822 -1.952 -5.014 1.00 0.37 O ATOM 65 CB VAL A 253 3.093 -5.038 -4.703 1.00 0.54 C ATOM 66 CG1 VAL A 253 4.263 -4.080 -4.519 1.00 0.68 C ATOM 67 CG2 VAL A 253 3.181 -6.188 -3.712 1.00 0.67 C ATOM 0 H VAL A 253 0.886 -6.112 -5.183 1.00 0.36 H new ATOM 0 HA VAL A 253 1.652 -3.971 -3.514 1.00 0.40 H new ATOM 0 HB VAL A 253 3.149 -5.440 -5.714 1.00 0.54 H new ATOM 0 HG11 VAL A 253 5.200 -4.624 -4.634 1.00 0.68 H new ATOM 0 HG12 VAL A 253 4.208 -3.290 -5.268 1.00 0.68 H new ATOM 0 HG13 VAL A 253 4.219 -3.640 -3.523 1.00 0.68 H new ATOM 0 HG21 VAL A 253 4.137 -6.698 -3.831 1.00 0.67 H new ATOM 0 HG22 VAL A 253 3.100 -5.800 -2.697 1.00 0.67 H new ATOM 0 HG23 VAL A 253 2.369 -6.891 -3.897 1.00 0.67 H new ATOM 77 N GLY A 254 1.518 -3.343 -6.767 1.00 0.39 N ATOM 78 CA GLY A 254 1.438 -2.263 -7.742 1.00 0.43 C ATOM 79 C GLY A 254 0.325 -1.285 -7.410 1.00 0.38 C ATOM 80 O GLY A 254 0.535 -0.068 -7.382 1.00 0.38 O ATOM 0 H GLY A 254 1.419 -4.279 -7.160 1.00 0.39 H new ATOM 0 HA2 GLY A 254 2.390 -1.733 -7.776 1.00 0.43 H new ATOM 0 HA3 GLY A 254 1.270 -2.681 -8.735 1.00 0.43 H new ATOM 84 N LEU A 255 -0.858 -1.824 -7.122 1.00 0.39 N ATOM 85 CA LEU A 255 -2.008 -1.009 -6.749 1.00 0.41 C ATOM 86 C LEU A 255 -1.726 -0.229 -5.474 1.00 0.35 C ATOM 87 O LEU A 255 -2.018 0.964 -5.380 1.00 0.39 O ATOM 88 CB LEU A 255 -3.236 -1.887 -6.536 1.00 0.49 C ATOM 89 CG LEU A 255 -4.175 -1.965 -7.729 1.00 0.68 C ATOM 90 CD1 LEU A 255 -5.352 -2.865 -7.404 1.00 0.79 C ATOM 91 CD2 LEU A 255 -4.645 -0.569 -8.111 1.00 0.84 C ATOM 0 H LEU A 255 -1.044 -2.827 -7.141 1.00 0.39 H new ATOM 0 HA LEU A 255 -2.198 -0.308 -7.562 1.00 0.41 H new ATOM 0 HB2 LEU A 255 -2.906 -2.895 -6.284 1.00 0.49 H new ATOM 0 HB3 LEU A 255 -3.792 -1.509 -5.678 1.00 0.49 H new ATOM 0 HG LEU A 255 -3.644 -2.392 -8.580 1.00 0.68 H new ATOM 0 HD11 LEU A 255 -6.020 -2.915 -8.264 1.00 0.79 H new ATOM 0 HD12 LEU A 255 -4.990 -3.865 -7.166 1.00 0.79 H new ATOM 0 HD13 LEU A 255 -5.893 -2.462 -6.548 1.00 0.79 H new ATOM 0 HD21 LEU A 255 -5.317 -0.633 -8.967 1.00 0.84 H new ATOM 0 HD22 LEU A 255 -5.171 -0.119 -7.269 1.00 0.84 H new ATOM 0 HD23 LEU A 255 -3.784 0.046 -8.372 1.00 0.84 H new ATOM 103 N GLY A 256 -1.156 -0.919 -4.492 1.00 0.29 N ATOM 104 CA GLY A 256 -0.839 -0.295 -3.227 1.00 0.29 C ATOM 105 C GLY A 256 0.156 0.850 -3.358 1.00 0.28 C ATOM 106 O GLY A 256 -0.111 1.954 -2.886 1.00 0.33 O ATOM 0 H GLY A 256 -0.908 -1.906 -4.554 1.00 0.29 H new ATOM 0 HA2 GLY A 256 -1.757 0.079 -2.773 1.00 0.29 H new ATOM 0 HA3 GLY A 256 -0.432 -1.046 -2.550 1.00 0.29 H new ATOM 110 N ILE A 257 1.299 0.602 -4.010 1.00 0.28 N ATOM 111 CA ILE A 257 2.304 1.652 -4.188 1.00 0.34 C ATOM 112 C ILE A 257 1.745 2.807 -5.023 1.00 0.35 C ATOM 113 O ILE A 257 2.004 3.973 -4.725 1.00 0.40 O ATOM 114 CB ILE A 257 3.631 1.124 -4.801 1.00 0.45 C ATOM 115 CG1 ILE A 257 3.423 0.497 -6.184 1.00 0.48 C ATOM 116 CG2 ILE A 257 4.280 0.121 -3.861 1.00 0.54 C ATOM 117 CD1 ILE A 257 3.744 1.429 -7.336 1.00 0.58 C ATOM 0 H ILE A 257 1.546 -0.301 -4.416 1.00 0.28 H new ATOM 0 HA ILE A 257 2.545 2.020 -3.191 1.00 0.34 H new ATOM 0 HB ILE A 257 4.292 1.981 -4.931 1.00 0.45 H new ATOM 0 HG12 ILE A 257 4.046 -0.394 -6.266 1.00 0.48 H new ATOM 0 HG13 ILE A 257 2.387 0.170 -6.272 1.00 0.48 H new ATOM 0 HG21 ILE A 257 5.209 -0.242 -4.301 1.00 0.54 H new ATOM 0 HG22 ILE A 257 4.494 0.602 -2.907 1.00 0.54 H new ATOM 0 HG23 ILE A 257 3.603 -0.718 -3.700 1.00 0.54 H new ATOM 0 HD11 ILE A 257 3.572 0.913 -8.280 1.00 0.58 H new ATOM 0 HD12 ILE A 257 3.103 2.309 -7.282 1.00 0.58 H new ATOM 0 HD13 ILE A 257 4.788 1.736 -7.275 1.00 0.58 H new ATOM 129 N THR A 258 0.948 2.482 -6.046 1.00 0.37 N ATOM 130 CA THR A 258 0.330 3.507 -6.888 1.00 0.44 C ATOM 131 C THR A 258 -0.622 4.364 -6.054 1.00 0.42 C ATOM 132 O THR A 258 -0.635 5.590 -6.164 1.00 0.47 O ATOM 133 CB THR A 258 -0.451 2.887 -8.069 1.00 0.53 C ATOM 134 OG1 THR A 258 0.422 2.078 -8.867 1.00 0.58 O ATOM 135 CG2 THR A 258 -1.076 3.968 -8.942 1.00 0.66 C ATOM 0 H THR A 258 0.718 1.524 -6.308 1.00 0.37 H new ATOM 0 HA THR A 258 1.133 4.122 -7.294 1.00 0.44 H new ATOM 0 HB THR A 258 -1.248 2.269 -7.655 1.00 0.53 H new ATOM 0 HG1 THR A 258 0.628 1.248 -8.388 1.00 0.58 H new ATOM 0 HG21 THR A 258 -1.619 3.503 -9.765 1.00 0.66 H new ATOM 0 HG22 THR A 258 -1.765 4.565 -8.344 1.00 0.66 H new ATOM 0 HG23 THR A 258 -0.292 4.611 -9.342 1.00 0.66 H new ATOM 143 N THR A 259 -1.400 3.704 -5.197 1.00 0.40 N ATOM 144 CA THR A 259 -2.340 4.395 -4.317 1.00 0.43 C ATOM 145 C THR A 259 -1.586 5.314 -3.360 1.00 0.37 C ATOM 146 O THR A 259 -1.917 6.493 -3.226 1.00 0.42 O ATOM 147 CB THR A 259 -3.193 3.398 -3.497 1.00 0.47 C ATOM 148 OG1 THR A 259 -3.872 2.488 -4.374 1.00 0.53 O ATOM 149 CG2 THR A 259 -4.217 4.129 -2.640 1.00 0.59 C ATOM 0 H THR A 259 -1.397 2.689 -5.094 1.00 0.40 H new ATOM 0 HA THR A 259 -3.007 4.981 -4.949 1.00 0.43 H new ATOM 0 HB THR A 259 -2.520 2.843 -2.843 1.00 0.47 H new ATOM 0 HG1 THR A 259 -3.299 1.712 -4.548 1.00 0.53 H new ATOM 0 HG21 THR A 259 -4.802 3.404 -2.075 1.00 0.59 H new ATOM 0 HG22 THR A 259 -3.703 4.798 -1.950 1.00 0.59 H new ATOM 0 HG23 THR A 259 -4.880 4.710 -3.281 1.00 0.59 H new ATOM 157 N VAL A 260 -0.550 4.771 -2.718 1.00 0.33 N ATOM 158 CA VAL A 260 0.275 5.545 -1.793 1.00 0.33 C ATOM 159 C VAL A 260 0.906 6.740 -2.511 1.00 0.33 C ATOM 160 O VAL A 260 0.813 7.874 -2.038 1.00 0.34 O ATOM 161 CB VAL A 260 1.384 4.676 -1.159 1.00 0.38 C ATOM 162 CG1 VAL A 260 2.288 5.515 -0.267 1.00 0.51 C ATOM 163 CG2 VAL A 260 0.776 3.528 -0.369 1.00 0.44 C ATOM 0 H VAL A 260 -0.263 3.798 -2.823 1.00 0.33 H new ATOM 0 HA VAL A 260 -0.376 5.904 -0.996 1.00 0.33 H new ATOM 0 HB VAL A 260 1.990 4.261 -1.964 1.00 0.38 H new ATOM 0 HG11 VAL A 260 3.061 4.881 0.168 1.00 0.51 H new ATOM 0 HG12 VAL A 260 2.755 6.302 -0.860 1.00 0.51 H new ATOM 0 HG13 VAL A 260 1.696 5.964 0.531 1.00 0.51 H new ATOM 0 HG21 VAL A 260 1.572 2.927 0.070 1.00 0.44 H new ATOM 0 HG22 VAL A 260 0.143 3.927 0.424 1.00 0.44 H new ATOM 0 HG23 VAL A 260 0.176 2.906 -1.034 1.00 0.44 H new ATOM 173 N LEU A 261 1.517 6.479 -3.671 1.00 0.36 N ATOM 174 CA LEU A 261 2.133 7.536 -4.473 1.00 0.41 C ATOM 175 C LEU A 261 1.098 8.606 -4.827 1.00 0.41 C ATOM 176 O LEU A 261 1.384 9.801 -4.782 1.00 0.45 O ATOM 177 CB LEU A 261 2.740 6.955 -5.747 1.00 0.50 C ATOM 178 CG LEU A 261 3.623 7.924 -6.529 1.00 0.61 C ATOM 179 CD1 LEU A 261 4.730 8.466 -5.636 1.00 0.67 C ATOM 180 CD2 LEU A 261 4.204 7.236 -7.750 1.00 0.77 C ATOM 0 H LEU A 261 1.597 5.545 -4.074 1.00 0.36 H new ATOM 0 HA LEU A 261 2.928 7.995 -3.885 1.00 0.41 H new ATOM 0 HB2 LEU A 261 3.330 6.077 -5.485 1.00 0.50 H new ATOM 0 HB3 LEU A 261 1.933 6.615 -6.396 1.00 0.50 H new ATOM 0 HG LEU A 261 3.014 8.763 -6.866 1.00 0.61 H new ATOM 0 HD11 LEU A 261 5.352 9.156 -6.206 1.00 0.67 H new ATOM 0 HD12 LEU A 261 4.289 8.991 -4.788 1.00 0.67 H new ATOM 0 HD13 LEU A 261 5.342 7.640 -5.273 1.00 0.67 H new ATOM 0 HD21 LEU A 261 4.832 7.938 -8.299 1.00 0.77 H new ATOM 0 HD22 LEU A 261 4.804 6.382 -7.435 1.00 0.77 H new ATOM 0 HD23 LEU A 261 3.394 6.893 -8.394 1.00 0.77 H new ATOM 192 N THR A 262 -0.112 8.159 -5.150 1.00 0.43 N ATOM 193 CA THR A 262 -1.210 9.064 -5.481 1.00 0.49 C ATOM 194 C THR A 262 -1.583 9.921 -4.269 1.00 0.45 C ATOM 195 O THR A 262 -1.714 11.140 -4.371 1.00 0.50 O ATOM 196 CB THR A 262 -2.461 8.279 -5.938 1.00 0.57 C ATOM 197 OG1 THR A 262 -2.158 7.492 -7.098 1.00 0.66 O ATOM 198 CG2 THR A 262 -3.616 9.219 -6.245 1.00 0.69 C ATOM 0 H THR A 262 -0.359 7.170 -5.190 1.00 0.43 H new ATOM 0 HA THR A 262 -0.870 9.703 -6.296 1.00 0.49 H new ATOM 0 HB THR A 262 -2.759 7.620 -5.122 1.00 0.57 H new ATOM 0 HG1 THR A 262 -1.374 6.932 -6.918 1.00 0.66 H new ATOM 0 HG21 THR A 262 -4.482 8.639 -6.564 1.00 0.69 H new ATOM 0 HG22 THR A 262 -3.870 9.788 -5.351 1.00 0.69 H new ATOM 0 HG23 THR A 262 -3.325 9.905 -7.041 1.00 0.69 H new ATOM 206 N MET A 263 -1.752 9.264 -3.124 1.00 0.40 N ATOM 207 CA MET A 263 -2.110 9.951 -1.880 1.00 0.43 C ATOM 208 C MET A 263 -1.038 10.955 -1.438 1.00 0.38 C ATOM 209 O MET A 263 -1.358 12.087 -1.071 1.00 0.43 O ATOM 210 CB MET A 263 -2.354 8.934 -0.761 1.00 0.48 C ATOM 211 CG MET A 263 -3.543 8.021 -1.016 1.00 0.59 C ATOM 212 SD MET A 263 -5.082 8.932 -1.243 1.00 0.75 S ATOM 213 CE MET A 263 -5.255 9.719 0.356 1.00 0.86 C ATOM 0 H MET A 263 -1.647 8.254 -3.029 1.00 0.40 H new ATOM 0 HA MET A 263 -3.025 10.509 -2.078 1.00 0.43 H new ATOM 0 HB2 MET A 263 -1.459 8.324 -0.634 1.00 0.48 H new ATOM 0 HB3 MET A 263 -2.511 9.468 0.176 1.00 0.48 H new ATOM 0 HG2 MET A 263 -3.349 7.417 -1.902 1.00 0.59 H new ATOM 0 HG3 MET A 263 -3.653 7.332 -0.179 1.00 0.59 H new ATOM 0 HE1 MET A 263 -6.277 10.079 0.476 1.00 0.86 H new ATOM 0 HE2 MET A 263 -5.029 8.999 1.142 1.00 0.86 H new ATOM 0 HE3 MET A 263 -4.564 10.559 0.425 1.00 0.86 H new ATOM 223 N THR A 264 0.234 10.551 -1.467 1.00 0.35 N ATOM 224 CA THR A 264 1.325 11.445 -1.055 1.00 0.38 C ATOM 225 C THR A 264 1.683 12.475 -2.145 1.00 0.34 C ATOM 226 O THR A 264 2.842 12.602 -2.546 1.00 0.40 O ATOM 227 CB THR A 264 2.596 10.663 -0.629 1.00 0.46 C ATOM 228 OG1 THR A 264 3.620 11.580 -0.224 1.00 0.53 O ATOM 229 CG2 THR A 264 3.125 9.777 -1.750 1.00 0.48 C ATOM 0 H THR A 264 0.534 9.624 -1.767 1.00 0.35 H new ATOM 0 HA THR A 264 0.949 11.986 -0.187 1.00 0.38 H new ATOM 0 HB THR A 264 2.318 10.019 0.205 1.00 0.46 H new ATOM 0 HG1 THR A 264 3.786 12.224 -0.944 1.00 0.53 H new ATOM 0 HG21 THR A 264 4.015 9.249 -1.407 1.00 0.48 H new ATOM 0 HG22 THR A 264 2.360 9.054 -2.034 1.00 0.48 H new ATOM 0 HG23 THR A 264 3.379 10.394 -2.612 1.00 0.48 H new ATOM 237 N THR A 265 0.678 13.211 -2.616 1.00 0.32 N ATOM 238 CA THR A 265 0.884 14.229 -3.653 1.00 0.34 C ATOM 239 C THR A 265 1.861 15.322 -3.208 1.00 0.39 C ATOM 240 O THR A 265 2.772 15.680 -3.957 1.00 0.48 O ATOM 241 CB THR A 265 -0.445 14.891 -4.097 1.00 0.37 C ATOM 242 OG1 THR A 265 -0.180 16.084 -4.855 1.00 0.39 O ATOM 243 CG2 THR A 265 -1.326 15.230 -2.902 1.00 0.44 C ATOM 0 H THR A 265 -0.287 13.124 -2.299 1.00 0.32 H new ATOM 0 HA THR A 265 1.314 13.696 -4.501 1.00 0.34 H new ATOM 0 HB THR A 265 -0.977 14.173 -4.722 1.00 0.37 H new ATOM 0 HG1 THR A 265 -0.004 15.846 -5.789 1.00 0.39 H new ATOM 0 HG21 THR A 265 -2.249 15.693 -3.250 1.00 0.44 H new ATOM 0 HG22 THR A 265 -1.562 14.318 -2.353 1.00 0.44 H new ATOM 0 HG23 THR A 265 -0.798 15.922 -2.246 1.00 0.44 H new ATOM 251 N GLN A 266 1.666 15.842 -1.987 1.00 0.45 N ATOM 252 CA GLN A 266 2.519 16.901 -1.412 1.00 0.59 C ATOM 253 C GLN A 266 2.346 18.244 -2.136 1.00 0.59 C ATOM 254 O GLN A 266 2.179 19.284 -1.500 1.00 0.71 O ATOM 255 CB GLN A 266 3.994 16.483 -1.422 1.00 0.74 C ATOM 256 CG GLN A 266 4.281 15.231 -0.606 1.00 0.86 C ATOM 257 CD GLN A 266 5.736 14.798 -0.671 1.00 1.12 C ATOM 258 OE1 GLN A 266 6.114 13.771 -0.119 1.00 1.33 O ATOM 259 NE2 GLN A 266 6.566 15.582 -1.340 1.00 1.25 N ATOM 0 H GLN A 266 0.913 15.542 -1.368 1.00 0.45 H new ATOM 0 HA GLN A 266 2.196 17.038 -0.380 1.00 0.59 H new ATOM 0 HB2 GLN A 266 4.308 16.314 -2.452 1.00 0.74 H new ATOM 0 HB3 GLN A 266 4.598 17.304 -1.035 1.00 0.74 H new ATOM 0 HG2 GLN A 266 4.008 15.412 0.434 1.00 0.86 H new ATOM 0 HG3 GLN A 266 3.650 14.418 -0.965 1.00 0.86 H new ATOM 0 HE21 GLN A 266 6.218 16.430 -1.788 1.00 1.25 H new ATOM 0 HE22 GLN A 266 7.554 15.339 -1.408 1.00 1.25 H new ATOM 268 N SER A 267 2.381 18.211 -3.465 1.00 0.53 N ATOM 269 CA SER A 267 2.223 19.415 -4.282 1.00 0.59 C ATOM 270 C SER A 267 0.792 19.953 -4.221 1.00 0.61 C ATOM 271 O SER A 267 0.559 21.130 -4.495 1.00 0.74 O ATOM 272 CB SER A 267 2.603 19.137 -5.738 1.00 0.62 C ATOM 273 OG SER A 267 2.423 20.294 -6.540 1.00 0.75 O ATOM 0 H SER A 267 2.519 17.357 -4.005 1.00 0.53 H new ATOM 0 HA SER A 267 2.893 20.171 -3.873 1.00 0.59 H new ATOM 0 HB2 SER A 267 3.642 18.812 -5.791 1.00 0.62 H new ATOM 0 HB3 SER A 267 1.993 18.322 -6.127 1.00 0.62 H new ATOM 0 HG SER A 267 2.674 20.093 -7.466 1.00 0.75 H new ATOM 279 N SER A 268 -0.157 19.076 -3.869 1.00 0.58 N ATOM 280 CA SER A 268 -1.578 19.439 -3.766 1.00 0.73 C ATOM 281 C SER A 268 -2.171 19.815 -5.130 1.00 0.74 C ATOM 282 O SER A 268 -2.856 20.831 -5.272 1.00 0.97 O ATOM 283 CB SER A 268 -1.780 20.587 -2.764 1.00 0.94 C ATOM 284 OG SER A 268 -3.146 20.957 -2.677 1.00 1.15 O ATOM 0 H SER A 268 0.036 18.099 -3.648 1.00 0.58 H new ATOM 0 HA SER A 268 -2.108 18.559 -3.403 1.00 0.73 H new ATOM 0 HB2 SER A 268 -1.419 20.283 -1.781 1.00 0.94 H new ATOM 0 HB3 SER A 268 -1.186 21.448 -3.069 1.00 0.94 H new ATOM 0 HG SER A 268 -3.456 21.273 -3.551 1.00 1.15 H new ATOM 290 N GLY A 269 -1.905 18.981 -6.130 1.00 0.62 N ATOM 291 CA GLY A 269 -2.416 19.235 -7.469 1.00 0.70 C ATOM 292 C GLY A 269 -2.719 17.956 -8.235 1.00 0.61 C ATOM 293 O GLY A 269 -2.291 17.799 -9.384 1.00 0.59 O ATOM 0 H GLY A 269 -1.345 18.133 -6.039 1.00 0.62 H new ATOM 0 HA2 GLY A 269 -3.323 19.835 -7.399 1.00 0.70 H new ATOM 0 HA3 GLY A 269 -1.687 19.823 -8.026 1.00 0.70 H new ATOM 297 N SER A 270 -3.461 17.045 -7.586 1.00 0.63 N ATOM 298 CA SER A 270 -3.855 15.744 -8.168 1.00 0.63 C ATOM 299 C SER A 270 -2.663 14.791 -8.325 1.00 0.53 C ATOM 300 O SER A 270 -2.699 13.656 -7.851 1.00 0.61 O ATOM 301 CB SER A 270 -4.556 15.932 -9.522 1.00 0.72 C ATOM 302 OG SER A 270 -5.740 16.700 -9.387 1.00 0.91 O ATOM 0 H SER A 270 -3.808 17.187 -6.638 1.00 0.63 H new ATOM 0 HA SER A 270 -4.554 15.290 -7.465 1.00 0.63 H new ATOM 0 HB2 SER A 270 -3.878 16.424 -10.219 1.00 0.72 H new ATOM 0 HB3 SER A 270 -4.798 14.958 -9.947 1.00 0.72 H new ATOM 0 HG SER A 270 -6.164 16.805 -10.264 1.00 0.91 H new ATOM 308 N ARG A 271 -1.611 15.264 -8.980 1.00 0.48 N ATOM 309 CA ARG A 271 -0.404 14.468 -9.187 1.00 0.47 C ATOM 310 C ARG A 271 0.541 14.598 -7.995 1.00 0.40 C ATOM 311 O ARG A 271 0.549 15.621 -7.308 1.00 0.40 O ATOM 312 CB ARG A 271 0.343 14.903 -10.457 1.00 0.52 C ATOM 313 CG ARG A 271 -0.417 14.685 -11.761 1.00 0.70 C ATOM 314 CD ARG A 271 -1.423 15.798 -12.035 1.00 0.79 C ATOM 315 NE ARG A 271 -0.818 17.134 -11.994 1.00 0.73 N ATOM 316 CZ ARG A 271 0.090 17.579 -12.849 1.00 0.71 C ATOM 317 NH1 ARG A 271 0.512 16.841 -13.840 1.00 0.74 N ATOM 318 NH2 ARG A 271 0.579 18.781 -12.721 1.00 0.80 N ATOM 0 H ARG A 271 -1.568 16.201 -9.380 1.00 0.48 H new ATOM 0 HA ARG A 271 -0.721 13.431 -9.296 1.00 0.47 H new ATOM 0 HB2 ARG A 271 0.589 15.961 -10.371 1.00 0.52 H new ATOM 0 HB3 ARG A 271 1.286 14.360 -10.509 1.00 0.52 H new ATOM 0 HG2 ARG A 271 0.292 14.627 -12.587 1.00 0.70 H new ATOM 0 HG3 ARG A 271 -0.938 13.729 -11.720 1.00 0.70 H new ATOM 0 HD2 ARG A 271 -1.876 15.639 -13.014 1.00 0.79 H new ATOM 0 HD3 ARG A 271 -2.226 15.745 -11.300 1.00 0.79 H new ATOM 0 HE ARG A 271 -1.119 17.766 -11.252 1.00 0.73 H new ATOM 0 HH11 ARG A 271 0.141 15.899 -13.969 1.00 0.74 H new ATOM 0 HH12 ARG A 271 1.212 17.206 -14.486 1.00 0.74 H new ATOM 0 HH21 ARG A 271 0.262 19.382 -11.960 1.00 0.80 H new ATOM 0 HH22 ARG A 271 1.278 19.120 -13.382 1.00 0.80 H new ATOM 332 N ALA A 272 1.348 13.568 -7.764 1.00 0.45 N ATOM 333 CA ALA A 272 2.318 13.584 -6.671 1.00 0.47 C ATOM 334 C ALA A 272 3.512 14.477 -7.036 1.00 0.41 C ATOM 335 O ALA A 272 3.344 15.655 -7.355 1.00 0.45 O ATOM 336 CB ALA A 272 2.777 12.167 -6.356 1.00 0.61 C ATOM 0 H ALA A 272 1.351 12.711 -8.318 1.00 0.45 H new ATOM 0 HA ALA A 272 1.843 13.996 -5.781 1.00 0.47 H new ATOM 0 HB1 ALA A 272 3.499 12.191 -5.540 1.00 0.61 H new ATOM 0 HB2 ALA A 272 1.918 11.563 -6.062 1.00 0.61 H new ATOM 0 HB3 ALA A 272 3.242 11.730 -7.240 1.00 0.61 H new ATOM 342 N SER A 273 4.716 13.917 -7.022 1.00 0.44 N ATOM 343 CA SER A 273 5.910 14.677 -7.387 1.00 0.46 C ATOM 344 C SER A 273 6.065 14.769 -8.891 1.00 0.42 C ATOM 345 O SER A 273 7.133 14.513 -9.447 1.00 0.53 O ATOM 346 CB SER A 273 7.162 14.074 -6.770 1.00 0.62 C ATOM 347 OG SER A 273 7.239 12.680 -7.023 1.00 0.72 O ATOM 0 H SER A 273 4.893 12.946 -6.764 1.00 0.44 H new ATOM 0 HA SER A 273 5.782 15.684 -6.990 1.00 0.46 H new ATOM 0 HB2 SER A 273 8.045 14.569 -7.175 1.00 0.62 H new ATOM 0 HB3 SER A 273 7.162 14.252 -5.695 1.00 0.62 H new ATOM 0 HG SER A 273 8.054 12.318 -6.617 1.00 0.72 H new ATOM 353 N LEU A 274 4.998 15.201 -9.536 1.00 0.36 N ATOM 354 CA LEU A 274 5.004 15.407 -10.966 1.00 0.40 C ATOM 355 C LEU A 274 4.471 16.813 -11.293 1.00 0.36 C ATOM 356 O LEU A 274 3.582 16.954 -12.133 1.00 0.46 O ATOM 357 CB LEU A 274 4.164 14.331 -11.665 1.00 0.53 C ATOM 358 CG LEU A 274 4.303 14.279 -13.190 1.00 0.65 C ATOM 359 CD1 LEU A 274 5.735 13.949 -13.585 1.00 0.72 C ATOM 360 CD2 LEU A 274 3.336 13.263 -13.778 1.00 0.84 C ATOM 0 H LEU A 274 4.109 15.417 -9.084 1.00 0.36 H new ATOM 0 HA LEU A 274 6.028 15.328 -11.332 1.00 0.40 H new ATOM 0 HB2 LEU A 274 4.439 13.358 -11.258 1.00 0.53 H new ATOM 0 HB3 LEU A 274 3.115 14.495 -11.418 1.00 0.53 H new ATOM 0 HG LEU A 274 4.055 15.261 -13.593 1.00 0.65 H new ATOM 0 HD11 LEU A 274 5.814 13.916 -14.672 1.00 0.72 H new ATOM 0 HD12 LEU A 274 6.406 14.715 -13.195 1.00 0.72 H new ATOM 0 HD13 LEU A 274 6.012 12.979 -13.172 1.00 0.72 H new ATOM 0 HD21 LEU A 274 3.448 13.239 -14.862 1.00 0.84 H new ATOM 0 HD22 LEU A 274 3.552 12.276 -13.369 1.00 0.84 H new ATOM 0 HD23 LEU A 274 2.314 13.545 -13.525 1.00 0.84 H new ATOM 372 N PRO A 275 4.978 17.879 -10.599 1.00 0.34 N ATOM 373 CA PRO A 275 4.523 19.280 -10.811 1.00 0.45 C ATOM 374 C PRO A 275 4.757 19.828 -12.238 1.00 0.51 C ATOM 375 O PRO A 275 5.410 20.857 -12.417 1.00 0.60 O ATOM 376 CB PRO A 275 5.363 20.078 -9.806 1.00 0.56 C ATOM 377 CG PRO A 275 5.710 19.087 -8.763 1.00 0.52 C ATOM 378 CD PRO A 275 5.993 17.824 -9.514 1.00 0.40 C ATOM 0 HA PRO A 275 3.444 19.352 -10.677 1.00 0.45 H new ATOM 0 HB2 PRO A 275 6.255 20.495 -10.273 1.00 0.56 H new ATOM 0 HB3 PRO A 275 4.801 20.914 -9.391 1.00 0.56 H new ATOM 0 HG2 PRO A 275 6.578 19.407 -8.186 1.00 0.52 H new ATOM 0 HG3 PRO A 275 4.890 18.952 -8.057 1.00 0.52 H new ATOM 0 HD2 PRO A 275 7.010 17.801 -9.906 1.00 0.40 H new ATOM 0 HD3 PRO A 275 5.873 16.940 -8.887 1.00 0.40 H new ATOM 386 N LYS A 276 4.216 19.140 -13.240 1.00 0.57 N ATOM 387 CA LYS A 276 4.349 19.542 -14.642 1.00 0.68 C ATOM 388 C LYS A 276 3.326 18.812 -15.522 1.00 0.80 C ATOM 389 O LYS A 276 3.585 18.668 -16.742 1.00 0.94 O ATOM 390 CB LYS A 276 5.762 19.252 -15.158 1.00 0.70 C ATOM 391 CG LYS A 276 6.176 17.793 -15.024 1.00 0.73 C ATOM 392 CD LYS A 276 7.182 17.392 -16.092 1.00 0.87 C ATOM 393 CE LYS A 276 6.496 16.938 -17.378 1.00 1.01 C ATOM 394 NZ LYS A 276 5.706 18.025 -18.024 1.00 1.07 N ATOM 395 OXT LYS A 276 2.283 18.374 -14.981 1.00 0.87 O ATOM 0 H LYS A 276 3.672 18.287 -13.105 1.00 0.57 H new ATOM 0 HA LYS A 276 4.161 20.614 -14.696 1.00 0.68 H new ATOM 0 HB2 LYS A 276 5.823 19.543 -16.207 1.00 0.70 H new ATOM 0 HB3 LYS A 276 6.473 19.873 -14.613 1.00 0.70 H new ATOM 0 HG2 LYS A 276 6.608 17.627 -14.037 1.00 0.73 H new ATOM 0 HG3 LYS A 276 5.294 17.157 -15.098 1.00 0.73 H new ATOM 0 HD2 LYS A 276 7.837 18.236 -16.308 1.00 0.87 H new ATOM 0 HD3 LYS A 276 7.812 16.588 -15.713 1.00 0.87 H new ATOM 0 HE2 LYS A 276 7.249 16.576 -18.078 1.00 1.01 H new ATOM 0 HE3 LYS A 276 5.837 16.098 -17.157 1.00 1.01 H new ATOM 0 HZ1 LYS A 276 5.490 17.760 -19.006 1.00 1.07 H new ATOM 0 HZ2 LYS A 276 4.819 18.168 -17.500 1.00 1.07 H new ATOM 0 HZ3 LYS A 276 6.258 18.907 -18.017 1.00 1.07 H new TER 409 LYS A 276