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 51:sc= 1.27 USER MOD Single : A 259 THR OG1 : rot 167:sc= 1.15 USER MOD Single : A 262 THR OG1 : rot 72:sc= 1.17 USER MOD Single : A 263 MET CE :methyl 171:sc= -0.958 (180deg=-1.03) USER MOD Single : A 264 THR OG1 : rot 180:sc= 0 USER MOD Single : A 265 THR OG1 : rot -32:sc= 0.789 USER MOD Single : A 266 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 267 SER OG : rot 180:sc= 0 USER MOD Single : A 268 SER OG : rot -0:sc= 1.09 USER MOD Single : A 270 SER OG : rot -2:sc= 1.11 USER MOD Single : A 273 SER OG : rot 14:sc= 0.933 USER MOD Single : A 276 LYS NZ :NH3+ 162:sc= 1.52 (180deg=0.801) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 249 4.884 -8.025 -12.298 1.00 1.90 N ATOM 2 CA ALA A 249 4.838 -7.531 -10.896 1.00 1.62 C ATOM 3 C ALA A 249 3.487 -7.837 -10.248 1.00 1.21 C ATOM 4 O ALA A 249 2.478 -7.971 -10.938 1.00 1.23 O ATOM 5 CB ALA A 249 5.124 -6.036 -10.847 1.00 1.91 C ATOM 0 HA ALA A 249 5.610 -8.053 -10.331 1.00 1.62 H new ATOM 0 HB1 ALA A 249 5.086 -5.692 -9.813 1.00 1.91 H new ATOM 0 HB2 ALA A 249 6.115 -5.841 -11.258 1.00 1.91 H new ATOM 0 HB3 ALA A 249 4.376 -5.503 -11.434 1.00 1.91 H new ATOM 13 N PRO A 250 3.454 -7.955 -8.910 1.00 1.02 N ATOM 14 CA PRO A 250 2.227 -8.250 -8.158 1.00 0.77 C ATOM 15 C PRO A 250 1.179 -7.136 -8.263 1.00 0.63 C ATOM 16 O PRO A 250 1.493 -5.953 -8.104 1.00 0.69 O ATOM 17 CB PRO A 250 2.728 -8.381 -6.712 1.00 1.05 C ATOM 18 CG PRO A 250 4.188 -8.615 -6.830 1.00 1.29 C ATOM 19 CD PRO A 250 4.606 -7.812 -8.013 1.00 1.31 C ATOM 0 HA PRO A 250 1.723 -9.138 -8.539 1.00 0.77 H new ATOM 0 HB2 PRO A 250 2.518 -7.478 -6.139 1.00 1.05 H new ATOM 0 HB3 PRO A 250 2.236 -9.207 -6.197 1.00 1.05 H new ATOM 0 HG2 PRO A 250 4.714 -8.297 -5.930 1.00 1.29 H new ATOM 0 HG3 PRO A 250 4.409 -9.673 -6.971 1.00 1.29 H new ATOM 0 HD2 PRO A 250 4.792 -6.770 -7.752 1.00 1.31 H new ATOM 0 HD3 PRO A 250 5.522 -8.196 -8.462 1.00 1.31 H new ATOM 27 N ALA A 251 -0.067 -7.526 -8.536 1.00 0.58 N ATOM 28 CA ALA A 251 -1.170 -6.574 -8.677 1.00 0.55 C ATOM 29 C ALA A 251 -1.390 -5.748 -7.407 1.00 0.44 C ATOM 30 O ALA A 251 -1.483 -4.524 -7.467 1.00 0.45 O ATOM 31 CB ALA A 251 -2.446 -7.308 -9.050 1.00 0.68 C ATOM 0 H ALA A 251 -0.339 -8.501 -8.665 1.00 0.58 H new ATOM 0 HA ALA A 251 -0.901 -5.879 -9.472 1.00 0.55 H new ATOM 0 HB1 ALA A 251 -3.261 -6.592 -9.153 1.00 0.68 H new ATOM 0 HB2 ALA A 251 -2.302 -7.831 -9.995 1.00 0.68 H new ATOM 0 HB3 ALA A 251 -2.692 -8.029 -8.270 1.00 0.68 H new ATOM 37 N ARG A 252 -1.474 -6.424 -6.260 1.00 0.42 N ATOM 38 CA ARG A 252 -1.685 -5.740 -4.983 1.00 0.40 C ATOM 39 C ARG A 252 -0.567 -4.743 -4.689 1.00 0.35 C ATOM 40 O ARG A 252 -0.828 -3.596 -4.333 1.00 0.36 O ATOM 41 CB ARG A 252 -1.796 -6.750 -3.832 1.00 0.51 C ATOM 42 CG ARG A 252 -1.740 -6.108 -2.445 1.00 0.60 C ATOM 43 CD ARG A 252 -2.729 -4.957 -2.321 1.00 0.60 C ATOM 44 NE ARG A 252 -2.470 -4.117 -1.153 1.00 0.79 N ATOM 45 CZ ARG A 252 -3.073 -2.966 -0.927 1.00 0.81 C ATOM 46 NH1 ARG A 252 -3.982 -2.522 -1.751 1.00 0.75 N ATOM 47 NH2 ARG A 252 -2.769 -2.255 0.127 1.00 1.09 N ATOM 0 H ARG A 252 -1.400 -7.439 -6.189 1.00 0.42 H new ATOM 0 HA ARG A 252 -2.622 -5.190 -5.065 1.00 0.40 H new ATOM 0 HB2 ARG A 252 -2.732 -7.299 -3.931 1.00 0.51 H new ATOM 0 HB3 ARG A 252 -0.989 -7.477 -3.919 1.00 0.51 H new ATOM 0 HG2 ARG A 252 -1.958 -6.860 -1.686 1.00 0.60 H new ATOM 0 HG3 ARG A 252 -0.731 -5.744 -2.252 1.00 0.60 H new ATOM 0 HD2 ARG A 252 -2.683 -4.345 -3.222 1.00 0.60 H new ATOM 0 HD3 ARG A 252 -3.741 -5.357 -2.259 1.00 0.60 H new ATOM 0 HE ARG A 252 -1.782 -4.440 -0.473 1.00 0.79 H new ATOM 0 HH11 ARG A 252 -4.231 -3.066 -2.577 1.00 0.75 H new ATOM 0 HH12 ARG A 252 -4.444 -1.631 -1.569 1.00 0.75 H new ATOM 0 HH21 ARG A 252 -2.061 -2.589 0.781 1.00 1.09 H new ATOM 0 HH22 ARG A 252 -3.239 -1.366 0.295 1.00 1.09 H new ATOM 61 N VAL A 253 0.670 -5.186 -4.837 1.00 0.40 N ATOM 62 CA VAL A 253 1.817 -4.325 -4.578 1.00 0.45 C ATOM 63 C VAL A 253 1.817 -3.122 -5.516 1.00 0.39 C ATOM 64 O VAL A 253 1.991 -1.988 -5.073 1.00 0.41 O ATOM 65 CB VAL A 253 3.140 -5.101 -4.696 1.00 0.57 C ATOM 66 CG1 VAL A 253 4.322 -4.204 -4.363 1.00 0.70 C ATOM 67 CG2 VAL A 253 3.107 -6.313 -3.777 1.00 0.66 C ATOM 0 H VAL A 253 0.908 -6.132 -5.134 1.00 0.40 H new ATOM 0 HA VAL A 253 1.731 -3.964 -3.553 1.00 0.45 H new ATOM 0 HB VAL A 253 3.259 -5.441 -5.725 1.00 0.57 H new ATOM 0 HG11 VAL A 253 5.247 -4.773 -4.453 1.00 0.70 H new ATOM 0 HG12 VAL A 253 4.346 -3.362 -5.054 1.00 0.70 H new ATOM 0 HG13 VAL A 253 4.222 -3.833 -3.343 1.00 0.70 H new ATOM 0 HG21 VAL A 253 4.046 -6.860 -3.863 1.00 0.66 H new ATOM 0 HG22 VAL A 253 2.972 -5.985 -2.746 1.00 0.66 H new ATOM 0 HG23 VAL A 253 2.280 -6.963 -4.062 1.00 0.66 H new ATOM 77 N GLY A 254 1.576 -3.371 -6.802 1.00 0.39 N ATOM 78 CA GLY A 254 1.511 -2.286 -7.768 1.00 0.40 C ATOM 79 C GLY A 254 0.394 -1.310 -7.434 1.00 0.33 C ATOM 80 O GLY A 254 0.607 -0.094 -7.385 1.00 0.33 O ATOM 0 H GLY A 254 1.425 -4.302 -7.191 1.00 0.39 H new ATOM 0 HA2 GLY A 254 2.464 -1.757 -7.788 1.00 0.40 H new ATOM 0 HA3 GLY A 254 1.352 -2.695 -8.766 1.00 0.40 H new ATOM 84 N LEU A 255 -0.794 -1.845 -7.169 1.00 0.32 N ATOM 85 CA LEU A 255 -1.938 -1.020 -6.804 1.00 0.31 C ATOM 86 C LEU A 255 -1.660 -0.238 -5.528 1.00 0.26 C ATOM 87 O LEU A 255 -1.866 0.971 -5.481 1.00 0.28 O ATOM 88 CB LEU A 255 -3.181 -1.879 -6.611 1.00 0.39 C ATOM 89 CG LEU A 255 -4.103 -1.936 -7.820 1.00 0.63 C ATOM 90 CD1 LEU A 255 -5.315 -2.796 -7.513 1.00 0.77 C ATOM 91 CD2 LEU A 255 -4.522 -0.529 -8.224 1.00 0.81 C ATOM 0 H LEU A 255 -0.988 -2.846 -7.200 1.00 0.32 H new ATOM 0 HA LEU A 255 -2.111 -0.317 -7.619 1.00 0.31 H new ATOM 0 HB2 LEU A 255 -2.871 -2.893 -6.359 1.00 0.39 H new ATOM 0 HB3 LEU A 255 -3.743 -1.496 -5.759 1.00 0.39 H new ATOM 0 HG LEU A 255 -3.568 -2.387 -8.656 1.00 0.63 H new ATOM 0 HD11 LEU A 255 -5.968 -2.830 -8.385 1.00 0.77 H new ATOM 0 HD12 LEU A 255 -4.991 -3.806 -7.264 1.00 0.77 H new ATOM 0 HD13 LEU A 255 -5.859 -2.371 -6.669 1.00 0.77 H new ATOM 0 HD21 LEU A 255 -5.182 -0.580 -9.090 1.00 0.81 H new ATOM 0 HD22 LEU A 255 -5.047 -0.054 -7.396 1.00 0.81 H new ATOM 0 HD23 LEU A 255 -3.637 0.056 -8.476 1.00 0.81 H new ATOM 103 N GLY A 256 -1.182 -0.941 -4.502 1.00 0.29 N ATOM 104 CA GLY A 256 -0.878 -0.309 -3.232 1.00 0.34 C ATOM 105 C GLY A 256 0.117 0.834 -3.357 1.00 0.32 C ATOM 106 O GLY A 256 -0.143 1.942 -2.875 1.00 0.35 O ATOM 0 H GLY A 256 -1.000 -1.944 -4.531 1.00 0.29 H new ATOM 0 HA2 GLY A 256 -1.801 0.067 -2.790 1.00 0.34 H new ATOM 0 HA3 GLY A 256 -0.479 -1.057 -2.547 1.00 0.34 H new ATOM 110 N ILE A 257 1.250 0.588 -4.022 1.00 0.32 N ATOM 111 CA ILE A 257 2.248 1.640 -4.209 1.00 0.35 C ATOM 112 C ILE A 257 1.660 2.776 -5.043 1.00 0.30 C ATOM 113 O ILE A 257 1.971 3.944 -4.814 1.00 0.35 O ATOM 114 CB ILE A 257 3.576 1.128 -4.831 1.00 0.42 C ATOM 115 CG1 ILE A 257 3.373 0.529 -6.227 1.00 0.42 C ATOM 116 CG2 ILE A 257 4.229 0.109 -3.910 1.00 0.53 C ATOM 117 CD1 ILE A 257 3.675 1.491 -7.359 1.00 0.50 C ATOM 0 H ILE A 257 1.494 -0.313 -4.432 1.00 0.32 H new ATOM 0 HA ILE A 257 2.506 2.010 -3.217 1.00 0.35 H new ATOM 0 HB ILE A 257 4.234 1.990 -4.943 1.00 0.42 H new ATOM 0 HG12 ILE A 257 4.010 -0.350 -6.331 1.00 0.42 H new ATOM 0 HG13 ILE A 257 2.342 0.188 -6.319 1.00 0.42 H new ATOM 0 HG21 ILE A 257 5.159 -0.242 -4.357 1.00 0.53 H new ATOM 0 HG22 ILE A 257 4.442 0.573 -2.947 1.00 0.53 H new ATOM 0 HG23 ILE A 257 3.555 -0.735 -3.765 1.00 0.53 H new ATOM 0 HD11 ILE A 257 3.508 0.993 -8.314 1.00 0.50 H new ATOM 0 HD12 ILE A 257 3.021 2.359 -7.283 1.00 0.50 H new ATOM 0 HD13 ILE A 257 4.714 1.813 -7.295 1.00 0.50 H new ATOM 129 N THR A 258 0.777 2.434 -5.986 1.00 0.28 N ATOM 130 CA THR A 258 0.123 3.444 -6.815 1.00 0.31 C ATOM 131 C THR A 258 -0.754 4.360 -5.955 1.00 0.27 C ATOM 132 O THR A 258 -0.678 5.583 -6.075 1.00 0.29 O ATOM 133 CB THR A 258 -0.747 2.817 -7.930 1.00 0.39 C ATOM 134 OG1 THR A 258 0.060 1.995 -8.784 1.00 0.46 O ATOM 135 CG2 THR A 258 -1.422 3.894 -8.765 1.00 0.54 C ATOM 0 H THR A 258 0.502 1.473 -6.191 1.00 0.28 H new ATOM 0 HA THR A 258 0.918 4.021 -7.287 1.00 0.31 H new ATOM 0 HB THR A 258 -1.515 2.208 -7.452 1.00 0.39 H new ATOM 0 HG1 THR A 258 0.577 1.365 -8.239 1.00 0.46 H new ATOM 0 HG21 THR A 258 -2.027 3.426 -9.541 1.00 0.54 H new ATOM 0 HG22 THR A 258 -2.060 4.504 -8.125 1.00 0.54 H new ATOM 0 HG23 THR A 258 -0.663 4.525 -9.227 1.00 0.54 H new ATOM 143 N THR A 259 -1.577 3.774 -5.075 1.00 0.25 N ATOM 144 CA THR A 259 -2.445 4.571 -4.200 1.00 0.26 C ATOM 145 C THR A 259 -1.615 5.425 -3.249 1.00 0.25 C ATOM 146 O THR A 259 -1.907 6.605 -3.046 1.00 0.28 O ATOM 147 CB THR A 259 -3.413 3.715 -3.356 1.00 0.32 C ATOM 148 OG1 THR A 259 -3.349 2.341 -3.736 1.00 0.94 O ATOM 149 CG2 THR A 259 -4.839 4.215 -3.506 1.00 1.13 C ATOM 0 H THR A 259 -1.659 2.765 -4.951 1.00 0.25 H new ATOM 0 HA THR A 259 -3.037 5.196 -4.869 1.00 0.26 H new ATOM 0 HB THR A 259 -3.108 3.805 -2.314 1.00 0.32 H new ATOM 0 HG1 THR A 259 -3.801 1.793 -3.060 1.00 0.94 H new ATOM 0 HG21 THR A 259 -5.506 3.599 -2.903 1.00 1.13 H new ATOM 0 HG22 THR A 259 -4.899 5.250 -3.170 1.00 1.13 H new ATOM 0 HG23 THR A 259 -5.137 4.156 -4.553 1.00 1.13 H new ATOM 157 N VAL A 260 -0.569 4.827 -2.677 1.00 0.26 N ATOM 158 CA VAL A 260 0.315 5.546 -1.759 1.00 0.31 C ATOM 159 C VAL A 260 0.987 6.729 -2.466 1.00 0.32 C ATOM 160 O VAL A 260 0.976 7.858 -1.964 1.00 0.36 O ATOM 161 CB VAL A 260 1.387 4.605 -1.172 1.00 0.39 C ATOM 162 CG1 VAL A 260 2.418 5.386 -0.372 1.00 0.55 C ATOM 163 CG2 VAL A 260 0.729 3.543 -0.303 1.00 0.42 C ATOM 0 H VAL A 260 -0.314 3.852 -2.832 1.00 0.26 H new ATOM 0 HA VAL A 260 -0.296 5.927 -0.941 1.00 0.31 H new ATOM 0 HB VAL A 260 1.904 4.115 -1.997 1.00 0.39 H new ATOM 0 HG11 VAL A 260 3.162 4.699 0.031 1.00 0.55 H new ATOM 0 HG12 VAL A 260 2.908 6.112 -1.021 1.00 0.55 H new ATOM 0 HG13 VAL A 260 1.924 5.907 0.448 1.00 0.55 H new ATOM 0 HG21 VAL A 260 1.494 2.883 0.107 1.00 0.42 H new ATOM 0 HG22 VAL A 260 0.189 4.024 0.513 1.00 0.42 H new ATOM 0 HG23 VAL A 260 0.032 2.960 -0.906 1.00 0.42 H new ATOM 173 N LEU A 261 1.542 6.474 -3.647 1.00 0.36 N ATOM 174 CA LEU A 261 2.183 7.522 -4.434 1.00 0.43 C ATOM 175 C LEU A 261 1.169 8.595 -4.821 1.00 0.43 C ATOM 176 O LEU A 261 1.458 9.790 -4.775 1.00 0.49 O ATOM 177 CB LEU A 261 2.810 6.929 -5.695 1.00 0.50 C ATOM 178 CG LEU A 261 4.337 6.916 -5.722 1.00 0.83 C ATOM 179 CD1 LEU A 261 4.886 8.334 -5.671 1.00 1.36 C ATOM 180 CD2 LEU A 261 4.891 6.091 -4.569 1.00 1.26 C ATOM 0 H LEU A 261 1.561 5.551 -4.080 1.00 0.36 H new ATOM 0 HA LEU A 261 2.965 7.977 -3.826 1.00 0.43 H new ATOM 0 HB2 LEU A 261 2.452 5.906 -5.812 1.00 0.50 H new ATOM 0 HB3 LEU A 261 2.453 7.492 -6.557 1.00 0.50 H new ATOM 0 HG LEU A 261 4.655 6.455 -6.657 1.00 0.83 H new ATOM 0 HD11 LEU A 261 5.975 8.303 -5.691 1.00 1.36 H new ATOM 0 HD12 LEU A 261 4.523 8.896 -6.531 1.00 1.36 H new ATOM 0 HD13 LEU A 261 4.554 8.820 -4.754 1.00 1.36 H new ATOM 0 HD21 LEU A 261 5.980 6.096 -4.608 1.00 1.26 H new ATOM 0 HD22 LEU A 261 4.560 6.520 -3.623 1.00 1.26 H new ATOM 0 HD23 LEU A 261 4.530 5.066 -4.649 1.00 1.26 H new ATOM 192 N THR A 262 -0.022 8.147 -5.205 1.00 0.39 N ATOM 193 CA THR A 262 -1.099 9.052 -5.608 1.00 0.42 C ATOM 194 C THR A 262 -1.552 9.958 -4.458 1.00 0.35 C ATOM 195 O THR A 262 -1.638 11.174 -4.622 1.00 0.42 O ATOM 196 CB THR A 262 -2.330 8.274 -6.131 1.00 0.48 C ATOM 197 OG1 THR A 262 -1.966 7.456 -7.251 1.00 0.61 O ATOM 198 CG2 THR A 262 -3.444 9.224 -6.541 1.00 0.58 C ATOM 0 H THR A 262 -0.269 7.158 -5.246 1.00 0.39 H new ATOM 0 HA THR A 262 -0.686 9.668 -6.407 1.00 0.42 H new ATOM 0 HB THR A 262 -2.690 7.640 -5.320 1.00 0.48 H new ATOM 0 HG1 THR A 262 -1.426 6.699 -6.941 1.00 0.61 H new ATOM 0 HG21 THR A 262 -4.296 8.650 -6.904 1.00 0.58 H new ATOM 0 HG22 THR A 262 -3.748 9.820 -5.681 1.00 0.58 H new ATOM 0 HG23 THR A 262 -3.087 9.884 -7.332 1.00 0.58 H new ATOM 206 N MET A 263 -1.869 9.370 -3.299 1.00 0.28 N ATOM 207 CA MET A 263 -2.338 10.165 -2.168 1.00 0.30 C ATOM 208 C MET A 263 -2.190 9.460 -0.805 1.00 0.28 C ATOM 209 O MET A 263 -3.168 9.308 -0.070 1.00 0.35 O ATOM 210 CB MET A 263 -3.800 10.549 -2.401 1.00 0.46 C ATOM 211 CG MET A 263 -4.720 9.369 -2.681 1.00 0.58 C ATOM 212 SD MET A 263 -6.426 9.876 -2.967 1.00 0.84 S ATOM 213 CE MET A 263 -6.233 10.910 -4.417 1.00 0.95 C ATOM 0 H MET A 263 -1.810 8.367 -3.125 1.00 0.28 H new ATOM 0 HA MET A 263 -1.703 11.050 -2.117 1.00 0.30 H new ATOM 0 HB2 MET A 263 -4.168 11.082 -1.524 1.00 0.46 H new ATOM 0 HB3 MET A 263 -3.852 11.243 -3.240 1.00 0.46 H new ATOM 0 HG2 MET A 263 -4.355 8.827 -3.553 1.00 0.58 H new ATOM 0 HG3 MET A 263 -4.686 8.678 -1.839 1.00 0.58 H new ATOM 0 HE1 MET A 263 -7.215 11.170 -4.812 1.00 0.95 H new ATOM 0 HE2 MET A 263 -5.698 11.820 -4.146 1.00 0.95 H new ATOM 0 HE3 MET A 263 -5.668 10.370 -5.177 1.00 0.95 H new ATOM 223 N THR A 264 -0.971 9.047 -0.453 1.00 0.28 N ATOM 224 CA THR A 264 -0.729 8.381 0.841 1.00 0.35 C ATOM 225 C THR A 264 -1.214 9.231 2.031 1.00 0.32 C ATOM 226 O THR A 264 -1.687 8.693 3.034 1.00 0.39 O ATOM 227 CB THR A 264 0.767 8.042 1.046 1.00 0.49 C ATOM 228 OG1 THR A 264 0.959 7.398 2.314 1.00 0.68 O ATOM 229 CG2 THR A 264 1.639 9.290 0.968 1.00 0.52 C ATOM 0 H THR A 264 -0.140 9.157 -1.034 1.00 0.28 H new ATOM 0 HA THR A 264 -1.305 7.456 0.808 1.00 0.35 H new ATOM 0 HB THR A 264 1.066 7.367 0.244 1.00 0.49 H new ATOM 0 HG1 THR A 264 1.908 7.186 2.433 1.00 0.68 H new ATOM 0 HG21 THR A 264 2.683 9.014 1.116 1.00 0.52 H new ATOM 0 HG22 THR A 264 1.522 9.755 -0.011 1.00 0.52 H new ATOM 0 HG23 THR A 264 1.336 9.994 1.743 1.00 0.52 H new ATOM 237 N THR A 265 -1.097 10.556 1.906 1.00 0.34 N ATOM 238 CA THR A 265 -1.514 11.485 2.965 1.00 0.44 C ATOM 239 C THR A 265 -3.041 11.576 3.125 1.00 0.38 C ATOM 240 O THR A 265 -3.529 12.241 4.039 1.00 0.53 O ATOM 241 CB THR A 265 -0.954 12.905 2.721 1.00 0.63 C ATOM 242 OG1 THR A 265 -1.334 13.779 3.793 1.00 0.79 O ATOM 243 CG2 THR A 265 -1.454 13.473 1.398 1.00 0.68 C ATOM 0 H THR A 265 -0.715 11.013 1.078 1.00 0.34 H new ATOM 0 HA THR A 265 -1.102 11.074 3.886 1.00 0.44 H new ATOM 0 HB THR A 265 0.133 12.833 2.679 1.00 0.63 H new ATOM 0 HG1 THR A 265 -2.207 13.505 4.144 1.00 0.79 H new ATOM 0 HG21 THR A 265 -1.044 14.473 1.253 1.00 0.68 H new ATOM 0 HG22 THR A 265 -1.133 12.827 0.580 1.00 0.68 H new ATOM 0 HG23 THR A 265 -2.543 13.526 1.413 1.00 0.68 H new ATOM 251 N GLN A 266 -3.792 10.914 2.242 1.00 0.47 N ATOM 252 CA GLN A 266 -5.257 10.933 2.313 1.00 0.50 C ATOM 253 C GLN A 266 -5.755 10.282 3.608 1.00 0.43 C ATOM 254 O GLN A 266 -5.423 9.132 3.906 1.00 0.51 O ATOM 255 CB GLN A 266 -5.859 10.202 1.107 1.00 0.68 C ATOM 256 CG GLN A 266 -7.369 10.027 1.181 1.00 0.87 C ATOM 257 CD GLN A 266 -7.894 9.041 0.153 1.00 1.12 C ATOM 258 OE1 GLN A 266 -7.437 7.904 0.081 1.00 1.25 O ATOM 259 NE2 GLN A 266 -8.862 9.466 -0.642 1.00 1.42 N ATOM 0 H GLN A 266 -3.414 10.361 1.473 1.00 0.47 H new ATOM 0 HA GLN A 266 -5.577 11.975 2.302 1.00 0.50 H new ATOM 0 HB2 GLN A 266 -5.611 10.753 0.200 1.00 0.68 H new ATOM 0 HB3 GLN A 266 -5.393 9.220 1.020 1.00 0.68 H new ATOM 0 HG2 GLN A 266 -7.643 9.686 2.179 1.00 0.87 H new ATOM 0 HG3 GLN A 266 -7.851 10.993 1.031 1.00 0.87 H new ATOM 0 HE21 GLN A 266 -9.215 10.419 -0.551 1.00 1.42 H new ATOM 0 HE22 GLN A 266 -9.255 8.841 -1.346 1.00 1.42 H new ATOM 268 N SER A 267 -6.550 11.021 4.370 1.00 0.53 N ATOM 269 CA SER A 267 -7.095 10.517 5.629 1.00 0.64 C ATOM 270 C SER A 267 -8.337 9.654 5.405 1.00 0.64 C ATOM 271 O SER A 267 -9.174 9.949 4.548 1.00 0.81 O ATOM 272 CB SER A 267 -7.441 11.676 6.563 1.00 0.92 C ATOM 273 OG SER A 267 -8.376 12.556 5.962 1.00 1.06 O ATOM 0 H SER A 267 -6.834 11.973 4.140 1.00 0.53 H new ATOM 0 HA SER A 267 -6.326 9.895 6.087 1.00 0.64 H new ATOM 0 HB2 SER A 267 -7.851 11.286 7.495 1.00 0.92 H new ATOM 0 HB3 SER A 267 -6.534 12.224 6.819 1.00 0.92 H new ATOM 0 HG SER A 267 -8.581 13.287 6.581 1.00 1.06 H new ATOM 279 N SER A 268 -8.455 8.589 6.190 1.00 0.66 N ATOM 280 CA SER A 268 -9.593 7.670 6.104 1.00 0.77 C ATOM 281 C SER A 268 -9.713 6.848 7.384 1.00 0.77 C ATOM 282 O SER A 268 -8.705 6.470 7.981 1.00 1.35 O ATOM 283 CB SER A 268 -9.457 6.741 4.891 1.00 0.96 C ATOM 284 OG SER A 268 -9.613 7.463 3.678 1.00 1.05 O ATOM 0 H SER A 268 -7.770 8.336 6.902 1.00 0.66 H new ATOM 0 HA SER A 268 -10.498 8.265 5.981 1.00 0.77 H new ATOM 0 HB2 SER A 268 -8.481 6.256 4.907 1.00 0.96 H new ATOM 0 HB3 SER A 268 -10.206 5.951 4.947 1.00 0.96 H new ATOM 0 HG SER A 268 -9.781 8.407 3.879 1.00 1.05 H new ATOM 290 N GLY A 269 -10.948 6.595 7.815 1.00 0.57 N ATOM 291 CA GLY A 269 -11.167 5.842 9.040 1.00 0.56 C ATOM 292 C GLY A 269 -10.783 6.638 10.277 1.00 0.55 C ATOM 293 O GLY A 269 -11.164 7.801 10.416 1.00 0.73 O ATOM 0 H GLY A 269 -11.798 6.897 7.339 1.00 0.57 H new ATOM 0 HA2 GLY A 269 -12.216 5.555 9.106 1.00 0.56 H new ATOM 0 HA3 GLY A 269 -10.586 4.921 9.007 1.00 0.56 H new ATOM 297 N SER A 270 -10.024 6.017 11.175 1.00 0.47 N ATOM 298 CA SER A 270 -9.580 6.682 12.404 1.00 0.56 C ATOM 299 C SER A 270 -8.423 5.923 13.043 1.00 0.53 C ATOM 300 O SER A 270 -8.490 4.703 13.198 1.00 0.48 O ATOM 301 CB SER A 270 -10.727 6.803 13.417 1.00 0.70 C ATOM 302 OG SER A 270 -11.718 7.718 12.976 1.00 0.93 O ATOM 0 H SER A 270 -9.702 5.054 11.078 1.00 0.47 H new ATOM 0 HA SER A 270 -9.247 7.682 12.128 1.00 0.56 H new ATOM 0 HB2 SER A 270 -11.179 5.824 13.574 1.00 0.70 H new ATOM 0 HB3 SER A 270 -10.331 7.130 14.379 1.00 0.70 H new ATOM 0 HG SER A 270 -11.444 8.110 12.121 1.00 0.93 H new ATOM 308 N ARG A 271 -7.364 6.658 13.407 1.00 0.71 N ATOM 309 CA ARG A 271 -6.163 6.083 14.041 1.00 0.82 C ATOM 310 C ARG A 271 -5.339 5.216 13.070 1.00 0.81 C ATOM 311 O ARG A 271 -4.118 5.340 13.002 1.00 1.06 O ATOM 312 CB ARG A 271 -6.558 5.269 15.278 1.00 0.85 C ATOM 313 CG ARG A 271 -5.382 4.702 16.054 1.00 1.01 C ATOM 314 CD ARG A 271 -5.860 3.849 17.216 1.00 1.10 C ATOM 315 NE ARG A 271 -6.721 2.758 16.768 1.00 1.02 N ATOM 316 CZ ARG A 271 -7.332 1.924 17.574 1.00 1.19 C ATOM 317 NH1 ARG A 271 -7.209 2.045 18.868 1.00 1.41 N ATOM 318 NH2 ARG A 271 -8.074 0.970 17.084 1.00 1.29 N ATOM 0 H ARG A 271 -7.312 7.668 13.272 1.00 0.71 H new ATOM 0 HA ARG A 271 -5.527 6.916 14.340 1.00 0.82 H new ATOM 0 HB2 ARG A 271 -7.146 5.902 15.943 1.00 0.85 H new ATOM 0 HB3 ARG A 271 -7.203 4.447 14.967 1.00 0.85 H new ATOM 0 HG2 ARG A 271 -4.758 4.103 15.390 1.00 1.01 H new ATOM 0 HG3 ARG A 271 -4.761 5.516 16.427 1.00 1.01 H new ATOM 0 HD2 ARG A 271 -4.999 3.439 17.745 1.00 1.10 H new ATOM 0 HD3 ARG A 271 -6.403 4.473 17.926 1.00 1.10 H new ATOM 0 HE ARG A 271 -6.856 2.637 15.764 1.00 1.02 H new ATOM 0 HH11 ARG A 271 -6.635 2.792 19.258 1.00 1.41 H new ATOM 0 HH12 ARG A 271 -7.687 1.392 19.489 1.00 1.41 H new ATOM 0 HH21 ARG A 271 -8.179 0.873 16.074 1.00 1.29 H new ATOM 0 HH22 ARG A 271 -8.550 0.321 17.711 1.00 1.29 H new ATOM 332 N ALA A 272 -6.011 4.341 12.329 1.00 0.66 N ATOM 333 CA ALA A 272 -5.342 3.460 11.376 1.00 0.81 C ATOM 334 C ALA A 272 -6.215 3.211 10.140 1.00 0.65 C ATOM 335 O ALA A 272 -6.813 4.143 9.602 1.00 0.61 O ATOM 336 CB ALA A 272 -4.982 2.144 12.054 1.00 1.12 C ATOM 0 H ALA A 272 -7.023 4.222 12.370 1.00 0.66 H new ATOM 0 HA ALA A 272 -4.428 3.949 11.039 1.00 0.81 H new ATOM 0 HB1 ALA A 272 -4.483 1.491 11.338 1.00 1.12 H new ATOM 0 HB2 ALA A 272 -4.315 2.338 12.894 1.00 1.12 H new ATOM 0 HB3 ALA A 272 -5.890 1.661 12.415 1.00 1.12 H new ATOM 342 N SER A 273 -6.285 1.946 9.703 1.00 0.81 N ATOM 343 CA SER A 273 -7.085 1.544 8.530 1.00 0.85 C ATOM 344 C SER A 273 -6.745 2.346 7.281 1.00 0.66 C ATOM 345 O SER A 273 -7.607 2.970 6.666 1.00 0.74 O ATOM 346 CB SER A 273 -8.595 1.600 8.809 1.00 1.01 C ATOM 347 OG SER A 273 -9.022 2.888 9.234 1.00 0.90 O ATOM 0 H SER A 273 -5.792 1.172 10.149 1.00 0.81 H new ATOM 0 HA SER A 273 -6.815 0.506 8.336 1.00 0.85 H new ATOM 0 HB2 SER A 273 -9.139 1.320 7.907 1.00 1.01 H new ATOM 0 HB3 SER A 273 -8.847 0.866 9.574 1.00 1.01 H new ATOM 0 HG SER A 273 -8.315 3.542 9.056 1.00 0.90 H new ATOM 353 N LEU A 274 -5.484 2.272 6.878 1.00 0.61 N ATOM 354 CA LEU A 274 -5.034 2.941 5.666 1.00 0.51 C ATOM 355 C LEU A 274 -4.421 1.943 4.656 1.00 0.61 C ATOM 356 O LEU A 274 -3.381 2.239 4.068 1.00 0.68 O ATOM 357 CB LEU A 274 -4.002 4.022 6.009 1.00 0.67 C ATOM 358 CG LEU A 274 -4.505 5.162 6.901 1.00 0.78 C ATOM 359 CD1 LEU A 274 -3.353 6.063 7.308 1.00 1.16 C ATOM 360 CD2 LEU A 274 -5.577 5.974 6.186 1.00 0.91 C ATOM 0 H LEU A 274 -4.756 1.756 7.372 1.00 0.61 H new ATOM 0 HA LEU A 274 -5.907 3.400 5.203 1.00 0.51 H new ATOM 0 HB2 LEU A 274 -3.155 3.546 6.503 1.00 0.67 H new ATOM 0 HB3 LEU A 274 -3.629 4.451 5.079 1.00 0.67 H new ATOM 0 HG LEU A 274 -4.944 4.724 7.798 1.00 0.78 H new ATOM 0 HD11 LEU A 274 -3.727 6.868 7.941 1.00 1.16 H new ATOM 0 HD12 LEU A 274 -2.613 5.482 7.859 1.00 1.16 H new ATOM 0 HD13 LEU A 274 -2.891 6.487 6.417 1.00 1.16 H new ATOM 0 HD21 LEU A 274 -5.920 6.778 6.838 1.00 0.91 H new ATOM 0 HD22 LEU A 274 -5.162 6.400 5.272 1.00 0.91 H new ATOM 0 HD23 LEU A 274 -6.417 5.327 5.936 1.00 0.91 H new ATOM 372 N PRO A 275 -5.034 0.742 4.433 1.00 0.81 N ATOM 373 CA PRO A 275 -4.490 -0.255 3.483 1.00 1.04 C ATOM 374 C PRO A 275 -4.256 0.316 2.080 1.00 0.90 C ATOM 375 O PRO A 275 -3.174 0.162 1.510 1.00 0.98 O ATOM 376 CB PRO A 275 -5.577 -1.329 3.440 1.00 1.31 C ATOM 377 CG PRO A 275 -6.220 -1.232 4.772 1.00 1.34 C ATOM 378 CD PRO A 275 -6.272 0.235 5.075 1.00 0.99 C ATOM 0 HA PRO A 275 -3.513 -0.617 3.802 1.00 1.04 H new ATOM 0 HB2 PRO A 275 -6.290 -1.145 2.637 1.00 1.31 H new ATOM 0 HB3 PRO A 275 -5.155 -2.319 3.270 1.00 1.31 H new ATOM 0 HG2 PRO A 275 -7.219 -1.668 4.760 1.00 1.34 H new ATOM 0 HG3 PRO A 275 -5.647 -1.770 5.527 1.00 1.34 H new ATOM 0 HD2 PRO A 275 -7.165 0.703 4.660 1.00 0.99 H new ATOM 0 HD3 PRO A 275 -6.280 0.427 6.148 1.00 0.99 H new ATOM 386 N LYS A 276 -5.281 0.991 1.553 1.00 0.82 N ATOM 387 CA LYS A 276 -5.228 1.630 0.225 1.00 0.81 C ATOM 388 C LYS A 276 -4.673 0.695 -0.866 1.00 0.89 C ATOM 389 O LYS A 276 -3.723 1.093 -1.580 1.00 1.32 O ATOM 390 CB LYS A 276 -4.404 2.919 0.304 1.00 0.74 C ATOM 391 CG LYS A 276 -4.984 3.943 1.269 1.00 0.78 C ATOM 392 CD LYS A 276 -4.162 5.221 1.300 1.00 0.92 C ATOM 393 CE LYS A 276 -4.758 6.237 2.259 1.00 1.07 C ATOM 394 NZ LYS A 276 -4.046 7.540 2.208 1.00 1.35 N ATOM 395 OXT LYS A 276 -5.193 -0.434 -1.002 1.00 0.68 O ATOM 0 H LYS A 276 -6.174 1.113 2.031 1.00 0.82 H new ATOM 0 HA LYS A 276 -6.252 1.866 -0.065 1.00 0.81 H new ATOM 0 HB2 LYS A 276 -3.387 2.674 0.612 1.00 0.74 H new ATOM 0 HB3 LYS A 276 -4.338 3.362 -0.690 1.00 0.74 H new ATOM 0 HG2 LYS A 276 -6.008 4.177 0.978 1.00 0.78 H new ATOM 0 HG3 LYS A 276 -5.027 3.515 2.270 1.00 0.78 H new ATOM 0 HD2 LYS A 276 -3.139 4.991 1.600 1.00 0.92 H new ATOM 0 HD3 LYS A 276 -4.112 5.648 0.299 1.00 0.92 H new ATOM 0 HE2 LYS A 276 -5.810 6.390 2.017 1.00 1.07 H new ATOM 0 HE3 LYS A 276 -4.719 5.843 3.274 1.00 1.07 H new ATOM 0 HZ1 LYS A 276 -4.645 8.280 2.627 1.00 1.35 H new ATOM 0 HZ2 LYS A 276 -3.156 7.471 2.742 1.00 1.35 H new ATOM 0 HZ3 LYS A 276 -3.837 7.783 1.219 1.00 1.35 H new TER 409 LYS A 276