USER MOD reduce.3.24.130724 H: found=0, std=0, add=210, rem=0, adj=10 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 -94:sc= 1.06 USER MOD Single : A 259 THR OG1 : rot -83:sc= 1.27 USER MOD Single : A 262 THR OG1 : rot 76:sc= 1.27 USER MOD Single : A 263 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 264 THR OG1 : rot 180:sc= 0 USER MOD Single : A 265 THR OG1 : rot 180:sc= 0 USER MOD Single : A 266 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 267 SER OG : rot 2:sc= 1.86 USER MOD Single : A 268 SER OG : rot 180:sc= 0 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+ 134:sc= 0.143 (180deg=-3.66!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 249 3.924 -7.852 -12.947 1.00 1.72 N ATOM 2 CA ALA A 249 4.121 -7.389 -11.548 1.00 1.46 C ATOM 3 C ALA A 249 2.889 -7.692 -10.696 1.00 1.23 C ATOM 4 O ALA A 249 1.782 -7.802 -11.219 1.00 1.27 O ATOM 5 CB ALA A 249 4.432 -5.901 -11.520 1.00 1.49 C ATOM 0 HA ALA A 249 4.968 -7.930 -11.127 1.00 1.46 H new ATOM 0 HB1 ALA A 249 4.573 -5.578 -10.489 1.00 1.49 H new ATOM 0 HB2 ALA A 249 5.342 -5.709 -12.088 1.00 1.49 H new ATOM 0 HB3 ALA A 249 3.604 -5.348 -11.963 1.00 1.49 H new ATOM 13 N PRO A 250 3.069 -7.840 -9.373 1.00 1.10 N ATOM 14 CA PRO A 250 1.971 -8.141 -8.443 1.00 1.00 C ATOM 15 C PRO A 250 0.933 -7.014 -8.362 1.00 0.83 C ATOM 16 O PRO A 250 1.271 -5.862 -8.081 1.00 0.83 O ATOM 17 CB PRO A 250 2.690 -8.303 -7.096 1.00 1.08 C ATOM 18 CG PRO A 250 4.110 -8.559 -7.448 1.00 1.21 C ATOM 19 CD PRO A 250 4.351 -7.736 -8.667 1.00 1.19 C ATOM 0 HA PRO A 250 1.404 -9.018 -8.756 1.00 1.00 H new ATOM 0 HB2 PRO A 250 2.590 -7.406 -6.485 1.00 1.08 H new ATOM 0 HB3 PRO A 250 2.271 -9.129 -6.521 1.00 1.08 H new ATOM 0 HG2 PRO A 250 4.778 -8.270 -6.636 1.00 1.21 H new ATOM 0 HG3 PRO A 250 4.285 -9.617 -7.643 1.00 1.21 H new ATOM 0 HD2 PRO A 250 4.596 -6.703 -8.419 1.00 1.19 H new ATOM 0 HD3 PRO A 250 5.176 -8.125 -9.263 1.00 1.19 H new ATOM 27 N ALA A 251 -0.330 -7.359 -8.612 1.00 0.79 N ATOM 28 CA ALA A 251 -1.426 -6.388 -8.579 1.00 0.73 C ATOM 29 C ALA A 251 -1.547 -5.696 -7.219 1.00 0.61 C ATOM 30 O ALA A 251 -1.672 -4.476 -7.149 1.00 0.58 O ATOM 31 CB ALA A 251 -2.737 -7.069 -8.934 1.00 0.84 C ATOM 0 H ALA A 251 -0.622 -8.309 -8.841 1.00 0.79 H new ATOM 0 HA ALA A 251 -1.200 -5.619 -9.317 1.00 0.73 H new ATOM 0 HB1 ALA A 251 -3.546 -6.339 -8.907 1.00 0.84 H new ATOM 0 HB2 ALA A 251 -2.666 -7.495 -9.935 1.00 0.84 H new ATOM 0 HB3 ALA A 251 -2.941 -7.863 -8.215 1.00 0.84 H new ATOM 37 N ARG A 252 -1.503 -6.482 -6.144 1.00 0.63 N ATOM 38 CA ARG A 252 -1.604 -5.945 -4.783 1.00 0.60 C ATOM 39 C ARG A 252 -0.522 -4.898 -4.506 1.00 0.56 C ATOM 40 O ARG A 252 -0.802 -3.811 -3.987 1.00 0.53 O ATOM 41 CB ARG A 252 -1.494 -7.087 -3.764 1.00 0.71 C ATOM 42 CG ARG A 252 -1.301 -6.619 -2.325 1.00 0.78 C ATOM 43 CD ARG A 252 -2.449 -5.737 -1.862 1.00 0.78 C ATOM 44 NE ARG A 252 -2.249 -5.233 -0.504 1.00 0.90 N ATOM 45 CZ ARG A 252 -1.463 -4.219 -0.201 1.00 0.89 C ATOM 46 NH1 ARG A 252 -0.864 -3.532 -1.143 1.00 0.78 N ATOM 47 NH2 ARG A 252 -1.298 -3.874 1.049 1.00 1.06 N ATOM 0 H ARG A 252 -1.398 -7.496 -6.187 1.00 0.63 H new ATOM 0 HA ARG A 252 -2.574 -5.457 -4.688 1.00 0.60 H new ATOM 0 HB2 ARG A 252 -2.396 -7.697 -3.819 1.00 0.71 H new ATOM 0 HB3 ARG A 252 -0.658 -7.729 -4.042 1.00 0.71 H new ATOM 0 HG2 ARG A 252 -1.220 -7.485 -1.668 1.00 0.78 H new ATOM 0 HG3 ARG A 252 -0.364 -6.069 -2.244 1.00 0.78 H new ATOM 0 HD2 ARG A 252 -2.557 -4.896 -2.547 1.00 0.78 H new ATOM 0 HD3 ARG A 252 -3.379 -6.304 -1.904 1.00 0.78 H new ATOM 0 HE ARG A 252 -2.749 -5.695 0.256 1.00 0.90 H new ATOM 0 HH11 ARG A 252 -1.004 -3.780 -2.122 1.00 0.78 H new ATOM 0 HH12 ARG A 252 -0.258 -2.749 -0.897 1.00 0.78 H new ATOM 0 HH21 ARG A 252 -1.777 -4.389 1.788 1.00 1.06 H new ATOM 0 HH22 ARG A 252 -0.690 -3.090 1.286 1.00 1.06 H new ATOM 61 N VAL A 253 0.709 -5.236 -4.852 1.00 0.64 N ATOM 62 CA VAL A 253 1.835 -4.337 -4.642 1.00 0.69 C ATOM 63 C VAL A 253 1.739 -3.121 -5.561 1.00 0.62 C ATOM 64 O VAL A 253 1.922 -1.987 -5.118 1.00 0.62 O ATOM 65 CB VAL A 253 3.176 -5.061 -4.859 1.00 0.85 C ATOM 66 CG1 VAL A 253 4.339 -4.153 -4.495 1.00 0.94 C ATOM 67 CG2 VAL A 253 3.214 -6.344 -4.041 1.00 0.95 C ATOM 0 H VAL A 253 0.956 -6.128 -5.281 1.00 0.64 H new ATOM 0 HA VAL A 253 1.794 -3.997 -3.607 1.00 0.69 H new ATOM 0 HB VAL A 253 3.269 -5.319 -5.914 1.00 0.85 H new ATOM 0 HG11 VAL A 253 5.278 -4.683 -4.655 1.00 0.94 H new ATOM 0 HG12 VAL A 253 4.314 -3.261 -5.121 1.00 0.94 H new ATOM 0 HG13 VAL A 253 4.260 -3.863 -3.447 1.00 0.94 H new ATOM 0 HG21 VAL A 253 4.166 -6.849 -4.201 1.00 0.95 H new ATOM 0 HG22 VAL A 253 3.103 -6.105 -2.983 1.00 0.95 H new ATOM 0 HG23 VAL A 253 2.399 -6.998 -4.352 1.00 0.95 H new ATOM 77 N GLY A 254 1.422 -3.367 -6.832 1.00 0.64 N ATOM 78 CA GLY A 254 1.274 -2.281 -7.789 1.00 0.67 C ATOM 79 C GLY A 254 0.194 -1.302 -7.362 1.00 0.56 C ATOM 80 O GLY A 254 0.417 -0.091 -7.325 1.00 0.56 O ATOM 0 H GLY A 254 1.265 -4.299 -7.216 1.00 0.64 H new ATOM 0 HA2 GLY A 254 2.223 -1.755 -7.892 1.00 0.67 H new ATOM 0 HA3 GLY A 254 1.028 -2.690 -8.769 1.00 0.67 H new ATOM 84 N LEU A 255 -0.971 -1.837 -7.000 1.00 0.51 N ATOM 85 CA LEU A 255 -2.087 -1.019 -6.533 1.00 0.49 C ATOM 86 C LEU A 255 -1.708 -0.256 -5.272 1.00 0.42 C ATOM 87 O LEU A 255 -2.011 0.930 -5.129 1.00 0.45 O ATOM 88 CB LEU A 255 -3.304 -1.885 -6.242 1.00 0.56 C ATOM 89 CG LEU A 255 -4.318 -1.958 -7.371 1.00 0.71 C ATOM 90 CD1 LEU A 255 -5.478 -2.850 -6.970 1.00 0.80 C ATOM 91 CD2 LEU A 255 -4.802 -0.560 -7.724 1.00 0.89 C ATOM 0 H LEU A 255 -1.166 -2.838 -7.022 1.00 0.51 H new ATOM 0 HA LEU A 255 -2.328 -0.309 -7.324 1.00 0.49 H new ATOM 0 HB2 LEU A 255 -2.967 -2.895 -6.010 1.00 0.56 H new ATOM 0 HB3 LEU A 255 -3.801 -1.502 -5.351 1.00 0.56 H new ATOM 0 HG LEU A 255 -3.845 -2.390 -8.253 1.00 0.71 H new ATOM 0 HD11 LEU A 255 -6.200 -2.896 -7.785 1.00 0.80 H new ATOM 0 HD12 LEU A 255 -5.109 -3.853 -6.755 1.00 0.80 H new ATOM 0 HD13 LEU A 255 -5.960 -2.443 -6.081 1.00 0.80 H new ATOM 0 HD21 LEU A 255 -5.529 -0.620 -8.534 1.00 0.89 H new ATOM 0 HD22 LEU A 255 -5.269 -0.105 -6.850 1.00 0.89 H new ATOM 0 HD23 LEU A 255 -3.955 0.049 -8.041 1.00 0.89 H new ATOM 103 N GLY A 256 -1.045 -0.948 -4.356 1.00 0.41 N ATOM 104 CA GLY A 256 -0.640 -0.322 -3.120 1.00 0.44 C ATOM 105 C GLY A 256 0.327 0.837 -3.329 1.00 0.41 C ATOM 106 O GLY A 256 0.083 1.942 -2.847 1.00 0.42 O ATOM 0 H GLY A 256 -0.782 -1.929 -4.449 1.00 0.41 H new ATOM 0 HA2 GLY A 256 -1.524 0.040 -2.596 1.00 0.44 H new ATOM 0 HA3 GLY A 256 -0.171 -1.068 -2.478 1.00 0.44 H new ATOM 110 N ILE A 257 1.421 0.602 -4.053 1.00 0.46 N ATOM 111 CA ILE A 257 2.398 1.665 -4.297 1.00 0.51 C ATOM 112 C ILE A 257 1.801 2.815 -5.118 1.00 0.45 C ATOM 113 O ILE A 257 2.067 3.979 -4.830 1.00 0.46 O ATOM 114 CB ILE A 257 3.702 1.139 -4.957 1.00 0.66 C ATOM 115 CG1 ILE A 257 3.436 0.476 -6.313 1.00 0.70 C ATOM 116 CG2 ILE A 257 4.406 0.166 -4.025 1.00 0.80 C ATOM 117 CD1 ILE A 257 3.757 1.362 -7.499 1.00 0.78 C ATOM 0 H ILE A 257 1.652 -0.298 -4.475 1.00 0.46 H new ATOM 0 HA ILE A 257 2.666 2.055 -3.315 1.00 0.51 H new ATOM 0 HB ILE A 257 4.347 1.999 -5.137 1.00 0.66 H new ATOM 0 HG12 ILE A 257 4.027 -0.437 -6.383 1.00 0.70 H new ATOM 0 HG13 ILE A 257 2.388 0.182 -6.364 1.00 0.70 H new ATOM 0 HG21 ILE A 257 5.319 -0.196 -4.499 1.00 0.80 H new ATOM 0 HG22 ILE A 257 4.657 0.672 -3.093 1.00 0.80 H new ATOM 0 HG23 ILE A 257 3.748 -0.677 -3.814 1.00 0.80 H new ATOM 0 HD11 ILE A 257 3.543 0.825 -8.423 1.00 0.78 H new ATOM 0 HD12 ILE A 257 3.147 2.264 -7.455 1.00 0.78 H new ATOM 0 HD13 ILE A 257 4.812 1.636 -7.474 1.00 0.78 H new ATOM 129 N THR A 258 0.983 2.496 -6.127 1.00 0.45 N ATOM 130 CA THR A 258 0.359 3.534 -6.956 1.00 0.50 C ATOM 131 C THR A 258 -0.606 4.401 -6.146 1.00 0.45 C ATOM 132 O THR A 258 -0.578 5.630 -6.248 1.00 0.48 O ATOM 133 CB THR A 258 -0.396 2.946 -8.167 1.00 0.61 C ATOM 134 OG1 THR A 258 -1.240 1.864 -7.753 1.00 0.57 O ATOM 135 CG2 THR A 258 0.574 2.467 -9.236 1.00 0.77 C ATOM 0 H THR A 258 0.740 1.540 -6.387 1.00 0.45 H new ATOM 0 HA THR A 258 1.180 4.150 -7.322 1.00 0.50 H new ATOM 0 HB THR A 258 -1.014 3.737 -8.592 1.00 0.61 H new ATOM 0 HG1 THR A 258 -0.761 1.016 -7.860 1.00 0.57 H new ATOM 0 HG21 THR A 258 0.015 2.058 -10.077 1.00 0.77 H new ATOM 0 HG22 THR A 258 1.182 3.305 -9.577 1.00 0.77 H new ATOM 0 HG23 THR A 258 1.221 1.695 -8.820 1.00 0.77 H new ATOM 143 N THR A 259 -1.452 3.769 -5.335 1.00 0.42 N ATOM 144 CA THR A 259 -2.410 4.510 -4.512 1.00 0.47 C ATOM 145 C THR A 259 -1.691 5.348 -3.461 1.00 0.43 C ATOM 146 O THR A 259 -1.999 6.526 -3.290 1.00 0.48 O ATOM 147 CB THR A 259 -3.431 3.586 -3.816 1.00 0.53 C ATOM 148 OG1 THR A 259 -2.761 2.513 -3.144 1.00 0.50 O ATOM 149 CG2 THR A 259 -4.426 3.024 -4.821 1.00 0.62 C ATOM 0 H THR A 259 -1.495 2.755 -5.229 1.00 0.42 H new ATOM 0 HA THR A 259 -2.956 5.163 -5.193 1.00 0.47 H new ATOM 0 HB THR A 259 -3.975 4.180 -3.082 1.00 0.53 H new ATOM 0 HG1 THR A 259 -2.569 1.796 -3.784 1.00 0.50 H new ATOM 0 HG21 THR A 259 -5.136 2.376 -4.307 1.00 0.62 H new ATOM 0 HG22 THR A 259 -4.963 3.844 -5.298 1.00 0.62 H new ATOM 0 HG23 THR A 259 -3.893 2.450 -5.579 1.00 0.62 H new ATOM 157 N VAL A 260 -0.718 4.748 -2.776 1.00 0.39 N ATOM 158 CA VAL A 260 0.052 5.467 -1.763 1.00 0.44 C ATOM 159 C VAL A 260 0.763 6.675 -2.381 1.00 0.39 C ATOM 160 O VAL A 260 0.670 7.788 -1.860 1.00 0.45 O ATOM 161 CB VAL A 260 1.080 4.546 -1.071 1.00 0.53 C ATOM 162 CG1 VAL A 260 2.014 5.345 -0.176 1.00 0.69 C ATOM 163 CG2 VAL A 260 0.365 3.471 -0.266 1.00 0.63 C ATOM 0 H VAL A 260 -0.446 3.773 -2.903 1.00 0.39 H new ATOM 0 HA VAL A 260 -0.651 5.817 -1.007 1.00 0.44 H new ATOM 0 HB VAL A 260 1.682 4.067 -1.843 1.00 0.53 H new ATOM 0 HG11 VAL A 260 2.728 4.672 0.299 1.00 0.69 H new ATOM 0 HG12 VAL A 260 2.552 6.080 -0.775 1.00 0.69 H new ATOM 0 HG13 VAL A 260 1.433 5.857 0.591 1.00 0.69 H new ATOM 0 HG21 VAL A 260 1.101 2.828 0.217 1.00 0.63 H new ATOM 0 HG22 VAL A 260 -0.261 3.941 0.493 1.00 0.63 H new ATOM 0 HG23 VAL A 260 -0.258 2.873 -0.931 1.00 0.63 H new ATOM 173 N LEU A 261 1.444 6.455 -3.508 1.00 0.36 N ATOM 174 CA LEU A 261 2.143 7.536 -4.208 1.00 0.40 C ATOM 175 C LEU A 261 1.166 8.622 -4.664 1.00 0.40 C ATOM 176 O LEU A 261 1.459 9.811 -4.570 1.00 0.45 O ATOM 177 CB LEU A 261 2.917 6.991 -5.405 1.00 0.50 C ATOM 178 CG LEU A 261 4.165 6.183 -5.047 1.00 0.63 C ATOM 179 CD1 LEU A 261 4.888 5.739 -6.305 1.00 0.78 C ATOM 180 CD2 LEU A 261 5.087 6.999 -4.152 1.00 0.79 C ATOM 0 H LEU A 261 1.526 5.542 -3.954 1.00 0.36 H new ATOM 0 HA LEU A 261 2.848 7.983 -3.507 1.00 0.40 H new ATOM 0 HB2 LEU A 261 2.251 6.362 -5.995 1.00 0.50 H new ATOM 0 HB3 LEU A 261 3.212 7.826 -6.040 1.00 0.50 H new ATOM 0 HG LEU A 261 3.858 5.292 -4.499 1.00 0.63 H new ATOM 0 HD11 LEU A 261 5.774 5.165 -6.032 1.00 0.78 H new ATOM 0 HD12 LEU A 261 4.224 5.118 -6.906 1.00 0.78 H new ATOM 0 HD13 LEU A 261 5.186 6.615 -6.882 1.00 0.78 H new ATOM 0 HD21 LEU A 261 5.970 6.410 -3.906 1.00 0.79 H new ATOM 0 HD22 LEU A 261 5.390 7.907 -4.673 1.00 0.79 H new ATOM 0 HD23 LEU A 261 4.562 7.265 -3.235 1.00 0.79 H new ATOM 192 N THR A 262 0.001 8.202 -5.153 1.00 0.42 N ATOM 193 CA THR A 262 -1.026 9.140 -5.611 1.00 0.54 C ATOM 194 C THR A 262 -1.604 9.949 -4.442 1.00 0.56 C ATOM 195 O THR A 262 -1.760 11.168 -4.525 1.00 0.63 O ATOM 196 CB THR A 262 -2.180 8.395 -6.314 1.00 0.64 C ATOM 197 OG1 THR A 262 -1.685 7.682 -7.453 1.00 0.69 O ATOM 198 CG2 THR A 262 -3.273 9.357 -6.746 1.00 0.83 C ATOM 0 H THR A 262 -0.257 7.219 -5.243 1.00 0.42 H new ATOM 0 HA THR A 262 -0.544 9.818 -6.315 1.00 0.54 H new ATOM 0 HB THR A 262 -2.607 7.689 -5.601 1.00 0.64 H new ATOM 0 HG1 THR A 262 -1.216 6.875 -7.155 1.00 0.69 H new ATOM 0 HG21 THR A 262 -4.072 8.803 -7.238 1.00 0.83 H new ATOM 0 HG22 THR A 262 -3.673 9.870 -5.871 1.00 0.83 H new ATOM 0 HG23 THR A 262 -2.860 10.090 -7.439 1.00 0.83 H new ATOM 206 N MET A 263 -1.934 9.246 -3.363 1.00 0.55 N ATOM 207 CA MET A 263 -2.514 9.867 -2.170 1.00 0.65 C ATOM 208 C MET A 263 -1.542 10.842 -1.489 1.00 0.56 C ATOM 209 O MET A 263 -1.941 11.933 -1.077 1.00 0.62 O ATOM 210 CB MET A 263 -2.944 8.783 -1.177 1.00 0.77 C ATOM 211 CG MET A 263 -3.720 9.316 0.016 1.00 0.97 C ATOM 212 SD MET A 263 -5.270 10.105 -0.458 1.00 1.22 S ATOM 213 CE MET A 263 -5.905 10.590 1.144 1.00 1.49 C ATOM 0 H MET A 263 -1.809 8.236 -3.288 1.00 0.55 H new ATOM 0 HA MET A 263 -3.382 10.443 -2.491 1.00 0.65 H new ATOM 0 HB2 MET A 263 -3.558 8.048 -1.699 1.00 0.77 H new ATOM 0 HB3 MET A 263 -2.057 8.260 -0.818 1.00 0.77 H new ATOM 0 HG2 MET A 263 -3.930 8.496 0.703 1.00 0.97 H new ATOM 0 HG3 MET A 263 -3.102 10.034 0.555 1.00 0.97 H new ATOM 0 HE1 MET A 263 -6.864 11.093 1.018 1.00 1.49 H new ATOM 0 HE2 MET A 263 -6.039 9.705 1.766 1.00 1.49 H new ATOM 0 HE3 MET A 263 -5.200 11.268 1.625 1.00 1.49 H new ATOM 223 N THR A 264 -0.272 10.451 -1.357 1.00 0.47 N ATOM 224 CA THR A 264 0.717 11.320 -0.709 1.00 0.45 C ATOM 225 C THR A 264 1.065 12.531 -1.584 1.00 0.34 C ATOM 226 O THR A 264 1.264 12.412 -2.794 1.00 0.37 O ATOM 227 CB THR A 264 2.014 10.566 -0.325 1.00 0.53 C ATOM 228 OG1 THR A 264 2.865 11.424 0.445 1.00 0.68 O ATOM 229 CG2 THR A 264 2.772 10.078 -1.552 1.00 0.46 C ATOM 0 H THR A 264 0.092 9.556 -1.683 1.00 0.47 H new ATOM 0 HA THR A 264 0.247 11.669 0.211 1.00 0.45 H new ATOM 0 HB THR A 264 1.725 9.695 0.263 1.00 0.53 H new ATOM 0 HG1 THR A 264 3.683 10.942 0.687 1.00 0.68 H new ATOM 0 HG21 THR A 264 3.675 9.555 -1.238 1.00 0.46 H new ATOM 0 HG22 THR A 264 2.140 9.399 -2.124 1.00 0.46 H new ATOM 0 HG23 THR A 264 3.045 10.931 -2.174 1.00 0.46 H new ATOM 237 N THR A 265 1.131 13.701 -0.957 1.00 0.39 N ATOM 238 CA THR A 265 1.445 14.940 -1.665 1.00 0.42 C ATOM 239 C THR A 265 2.925 15.020 -2.042 1.00 0.40 C ATOM 240 O THR A 265 3.797 14.614 -1.268 1.00 0.48 O ATOM 241 CB THR A 265 1.062 16.186 -0.830 1.00 0.59 C ATOM 242 OG1 THR A 265 1.459 17.384 -1.511 1.00 0.70 O ATOM 243 CG2 THR A 265 1.705 16.147 0.551 1.00 0.69 C ATOM 0 H THR A 265 0.971 13.819 0.043 1.00 0.39 H new ATOM 0 HA THR A 265 0.851 14.929 -2.579 1.00 0.42 H new ATOM 0 HB THR A 265 -0.021 16.180 -0.706 1.00 0.59 H new ATOM 0 HG1 THR A 265 1.209 18.164 -0.973 1.00 0.70 H new ATOM 0 HG21 THR A 265 1.416 17.036 1.112 1.00 0.69 H new ATOM 0 HG22 THR A 265 1.370 15.257 1.083 1.00 0.69 H new ATOM 0 HG23 THR A 265 2.790 16.120 0.447 1.00 0.69 H new ATOM 251 N GLN A 266 3.193 15.547 -3.242 1.00 0.45 N ATOM 252 CA GLN A 266 4.559 15.709 -3.768 1.00 0.54 C ATOM 253 C GLN A 266 5.235 14.375 -4.119 1.00 0.51 C ATOM 254 O GLN A 266 5.746 14.212 -5.228 1.00 0.54 O ATOM 255 CB GLN A 266 5.428 16.490 -2.777 1.00 0.69 C ATOM 256 CG GLN A 266 5.011 17.942 -2.613 1.00 0.84 C ATOM 257 CD GLN A 266 5.873 18.684 -1.612 1.00 1.03 C ATOM 258 OE1 GLN A 266 7.092 18.723 -1.736 1.00 1.17 O ATOM 259 NE2 GLN A 266 5.247 19.281 -0.613 1.00 1.18 N ATOM 0 H GLN A 266 2.468 15.875 -3.880 1.00 0.45 H new ATOM 0 HA GLN A 266 4.463 16.271 -4.697 1.00 0.54 H new ATOM 0 HB2 GLN A 266 5.388 15.998 -1.805 1.00 0.69 H new ATOM 0 HB3 GLN A 266 6.465 16.454 -3.110 1.00 0.69 H new ATOM 0 HG2 GLN A 266 5.067 18.444 -3.579 1.00 0.84 H new ATOM 0 HG3 GLN A 266 3.970 17.984 -2.292 1.00 0.84 H new ATOM 0 HE21 GLN A 266 4.231 19.227 -0.543 1.00 1.18 H new ATOM 0 HE22 GLN A 266 5.780 19.796 0.088 1.00 1.18 H new ATOM 268 N SER A 267 5.236 13.435 -3.173 1.00 0.54 N ATOM 269 CA SER A 267 5.852 12.105 -3.357 1.00 0.63 C ATOM 270 C SER A 267 7.328 12.220 -3.770 1.00 0.71 C ATOM 271 O SER A 267 7.725 11.758 -4.843 1.00 0.74 O ATOM 272 CB SER A 267 5.067 11.252 -4.373 1.00 0.62 C ATOM 273 OG SER A 267 5.160 11.766 -5.692 1.00 0.57 O ATOM 0 H SER A 267 4.812 13.567 -2.255 1.00 0.54 H new ATOM 0 HA SER A 267 5.811 11.599 -2.393 1.00 0.63 H new ATOM 0 HB2 SER A 267 5.446 10.230 -4.356 1.00 0.62 H new ATOM 0 HB3 SER A 267 4.019 11.209 -4.075 1.00 0.62 H new ATOM 0 HG SER A 267 5.745 12.552 -5.696 1.00 0.57 H new ATOM 279 N SER A 268 8.124 12.855 -2.900 1.00 0.83 N ATOM 280 CA SER A 268 9.565 13.070 -3.130 1.00 0.98 C ATOM 281 C SER A 268 9.809 14.153 -4.190 1.00 0.97 C ATOM 282 O SER A 268 10.544 13.943 -5.158 1.00 1.04 O ATOM 283 CB SER A 268 10.285 11.768 -3.525 1.00 1.10 C ATOM 284 OG SER A 268 10.252 10.817 -2.469 1.00 1.19 O ATOM 0 H SER A 268 7.790 13.236 -2.015 1.00 0.83 H new ATOM 0 HA SER A 268 9.984 13.412 -2.184 1.00 0.98 H new ATOM 0 HB2 SER A 268 9.815 11.345 -4.413 1.00 1.10 H new ATOM 0 HB3 SER A 268 11.320 11.988 -3.787 1.00 1.10 H new ATOM 0 HG SER A 268 10.715 10.000 -2.750 1.00 1.19 H new ATOM 290 N GLY A 269 9.191 15.317 -3.990 1.00 0.96 N ATOM 291 CA GLY A 269 9.350 16.431 -4.918 1.00 1.02 C ATOM 292 C GLY A 269 8.454 16.342 -6.148 1.00 0.97 C ATOM 293 O GLY A 269 7.740 17.291 -6.469 1.00 1.15 O ATOM 0 H GLY A 269 8.579 15.510 -3.197 1.00 0.96 H new ATOM 0 HA2 GLY A 269 9.138 17.362 -4.393 1.00 1.02 H new ATOM 0 HA3 GLY A 269 10.390 16.477 -5.241 1.00 1.02 H new ATOM 297 N SER A 270 8.499 15.210 -6.840 1.00 0.87 N ATOM 298 CA SER A 270 7.691 15.012 -8.046 1.00 0.92 C ATOM 299 C SER A 270 7.526 13.526 -8.352 1.00 0.76 C ATOM 300 O SER A 270 8.381 12.712 -8.000 1.00 0.72 O ATOM 301 CB SER A 270 8.336 15.712 -9.245 1.00 1.12 C ATOM 302 OG SER A 270 9.611 15.164 -9.538 1.00 1.17 O ATOM 0 H SER A 270 9.085 14.413 -6.590 1.00 0.87 H new ATOM 0 HA SER A 270 6.708 15.446 -7.863 1.00 0.92 H new ATOM 0 HB2 SER A 270 7.688 15.616 -10.116 1.00 1.12 H new ATOM 0 HB3 SER A 270 8.435 16.777 -9.037 1.00 1.12 H new ATOM 0 HG SER A 270 9.998 15.629 -10.309 1.00 1.17 H new ATOM 308 N ARG A 271 6.424 13.167 -9.010 1.00 0.77 N ATOM 309 CA ARG A 271 6.165 11.767 -9.349 1.00 0.68 C ATOM 310 C ARG A 271 6.962 11.311 -10.582 1.00 0.73 C ATOM 311 O ARG A 271 6.419 10.712 -11.509 1.00 1.15 O ATOM 312 CB ARG A 271 4.664 11.524 -9.561 1.00 0.81 C ATOM 313 CG ARG A 271 4.272 10.049 -9.499 1.00 0.80 C ATOM 314 CD ARG A 271 4.261 9.508 -8.068 1.00 0.75 C ATOM 315 NE ARG A 271 5.519 9.750 -7.353 1.00 0.64 N ATOM 316 CZ ARG A 271 6.670 9.172 -7.638 1.00 0.66 C ATOM 317 NH1 ARG A 271 6.753 8.283 -8.592 1.00 0.76 N ATOM 318 NH2 ARG A 271 7.747 9.500 -6.974 1.00 0.70 N ATOM 0 H ARG A 271 5.702 13.819 -9.317 1.00 0.77 H new ATOM 0 HA ARG A 271 6.502 11.168 -8.503 1.00 0.68 H new ATOM 0 HB2 ARG A 271 4.104 12.073 -8.804 1.00 0.81 H new ATOM 0 HB3 ARG A 271 4.371 11.929 -10.530 1.00 0.81 H new ATOM 0 HG2 ARG A 271 3.284 9.920 -9.941 1.00 0.80 H new ATOM 0 HG3 ARG A 271 4.969 9.465 -10.100 1.00 0.80 H new ATOM 0 HD2 ARG A 271 3.442 9.970 -7.517 1.00 0.75 H new ATOM 0 HD3 ARG A 271 4.064 8.436 -8.092 1.00 0.75 H new ATOM 0 HE ARG A 271 5.502 10.414 -6.579 1.00 0.64 H new ATOM 0 HH11 ARG A 271 5.922 8.029 -9.126 1.00 0.76 H new ATOM 0 HH12 ARG A 271 7.649 7.843 -8.803 1.00 0.76 H new ATOM 0 HH21 ARG A 271 7.697 10.202 -6.236 1.00 0.70 H new ATOM 0 HH22 ARG A 271 8.637 9.054 -7.194 1.00 0.70 H new ATOM 332 N ALA A 272 8.260 11.586 -10.584 1.00 0.81 N ATOM 333 CA ALA A 272 9.123 11.188 -11.692 1.00 0.96 C ATOM 334 C ALA A 272 9.841 9.870 -11.382 1.00 0.89 C ATOM 335 O ALA A 272 10.850 9.858 -10.675 1.00 1.09 O ATOM 336 CB ALA A 272 10.130 12.287 -11.999 1.00 1.24 C ATOM 0 H ALA A 272 8.739 12.082 -9.833 1.00 0.81 H new ATOM 0 HA ALA A 272 8.499 11.032 -12.572 1.00 0.96 H new ATOM 0 HB1 ALA A 272 10.767 11.976 -12.827 1.00 1.24 H new ATOM 0 HB2 ALA A 272 9.600 13.200 -12.271 1.00 1.24 H new ATOM 0 HB3 ALA A 272 10.745 12.473 -11.119 1.00 1.24 H new ATOM 342 N SER A 273 9.312 8.762 -11.914 1.00 1.02 N ATOM 343 CA SER A 273 9.896 7.429 -11.696 1.00 1.21 C ATOM 344 C SER A 273 9.965 7.070 -10.213 1.00 1.07 C ATOM 345 O SER A 273 9.135 7.502 -9.411 1.00 0.98 O ATOM 346 CB SER A 273 11.292 7.344 -12.327 1.00 1.55 C ATOM 347 OG SER A 273 11.235 7.529 -13.731 1.00 1.85 O ATOM 0 H SER A 273 8.478 8.760 -12.501 1.00 1.02 H new ATOM 0 HA SER A 273 9.240 6.706 -12.180 1.00 1.21 H new ATOM 0 HB2 SER A 273 11.940 8.101 -11.884 1.00 1.55 H new ATOM 0 HB3 SER A 273 11.736 6.374 -12.104 1.00 1.55 H new ATOM 0 HG SER A 273 12.139 7.471 -14.105 1.00 1.85 H new ATOM 353 N LEU A 274 10.946 6.238 -9.874 1.00 1.30 N ATOM 354 CA LEU A 274 11.145 5.758 -8.507 1.00 1.40 C ATOM 355 C LEU A 274 9.940 4.960 -7.934 1.00 1.31 C ATOM 356 O LEU A 274 9.721 5.001 -6.724 1.00 1.41 O ATOM 357 CB LEU A 274 11.478 6.935 -7.578 1.00 1.53 C ATOM 358 CG LEU A 274 12.742 7.724 -7.938 1.00 1.83 C ATOM 359 CD1 LEU A 274 12.925 8.900 -6.992 1.00 2.10 C ATOM 360 CD2 LEU A 274 13.968 6.825 -7.903 1.00 2.22 C ATOM 0 H LEU A 274 11.628 5.876 -10.540 1.00 1.30 H new ATOM 0 HA LEU A 274 11.980 5.059 -8.553 1.00 1.40 H new ATOM 0 HB2 LEU A 274 10.632 7.622 -7.573 1.00 1.53 H new ATOM 0 HB3 LEU A 274 11.586 6.554 -6.562 1.00 1.53 H new ATOM 0 HG LEU A 274 12.625 8.107 -8.952 1.00 1.83 H new ATOM 0 HD11 LEU A 274 13.827 9.448 -7.263 1.00 2.10 H new ATOM 0 HD12 LEU A 274 12.063 9.563 -7.064 1.00 2.10 H new ATOM 0 HD13 LEU A 274 13.017 8.534 -5.970 1.00 2.10 H new ATOM 0 HD21 LEU A 274 14.853 7.406 -8.162 1.00 2.22 H new ATOM 0 HD22 LEU A 274 14.086 6.410 -6.902 1.00 2.22 H new ATOM 0 HD23 LEU A 274 13.845 6.013 -8.620 1.00 2.22 H new ATOM 372 N PRO A 275 9.133 4.214 -8.758 1.00 1.37 N ATOM 373 CA PRO A 275 7.988 3.432 -8.232 1.00 1.53 C ATOM 374 C PRO A 275 8.386 2.475 -7.100 1.00 1.63 C ATOM 375 O PRO A 275 7.615 2.235 -6.170 1.00 1.82 O ATOM 376 CB PRO A 275 7.519 2.634 -9.446 1.00 1.78 C ATOM 377 CG PRO A 275 7.895 3.489 -10.593 1.00 1.75 C ATOM 378 CD PRO A 275 9.233 4.064 -10.231 1.00 1.54 C ATOM 0 HA PRO A 275 7.228 4.082 -7.799 1.00 1.53 H new ATOM 0 HB2 PRO A 275 8.005 1.659 -9.497 1.00 1.78 H new ATOM 0 HB3 PRO A 275 6.444 2.454 -9.416 1.00 1.78 H new ATOM 0 HG2 PRO A 275 7.951 2.910 -11.515 1.00 1.75 H new ATOM 0 HG3 PRO A 275 7.159 4.276 -10.756 1.00 1.75 H new ATOM 0 HD2 PRO A 275 10.050 3.401 -10.516 1.00 1.54 H new ATOM 0 HD3 PRO A 275 9.411 5.019 -10.725 1.00 1.54 H new ATOM 386 N LYS A 276 9.604 1.948 -7.193 1.00 1.67 N ATOM 387 CA LYS A 276 10.150 1.033 -6.191 1.00 1.84 C ATOM 388 C LYS A 276 11.670 0.956 -6.306 1.00 2.07 C ATOM 389 O LYS A 276 12.290 0.251 -5.476 1.00 2.32 O ATOM 390 CB LYS A 276 9.552 -0.369 -6.331 1.00 2.03 C ATOM 391 CG LYS A 276 8.620 -0.742 -5.190 1.00 2.32 C ATOM 392 CD LYS A 276 9.333 -0.758 -3.841 1.00 2.52 C ATOM 393 CE LYS A 276 10.203 -1.998 -3.657 1.00 2.62 C ATOM 394 NZ LYS A 276 11.495 -1.919 -4.399 1.00 2.58 N ATOM 395 OXT LYS A 276 12.225 1.595 -7.226 1.00 2.24 O ATOM 0 H LYS A 276 10.242 2.143 -7.965 1.00 1.67 H new ATOM 0 HA LYS A 276 9.883 1.426 -5.210 1.00 1.84 H new ATOM 0 HB2 LYS A 276 9.006 -0.431 -7.272 1.00 2.03 H new ATOM 0 HB3 LYS A 276 10.361 -1.098 -6.383 1.00 2.03 H new ATOM 0 HG2 LYS A 276 7.793 -0.033 -5.153 1.00 2.32 H new ATOM 0 HG3 LYS A 276 8.189 -1.725 -5.382 1.00 2.32 H new ATOM 0 HD2 LYS A 276 9.953 0.134 -3.750 1.00 2.52 H new ATOM 0 HD3 LYS A 276 8.593 -0.715 -3.042 1.00 2.52 H new ATOM 0 HE2 LYS A 276 10.408 -2.137 -2.596 1.00 2.62 H new ATOM 0 HE3 LYS A 276 9.651 -2.876 -3.993 1.00 2.62 H new ATOM 0 HZ1 LYS A 276 12.272 -2.220 -3.776 1.00 2.58 H new ATOM 0 HZ2 LYS A 276 11.456 -2.542 -5.231 1.00 2.58 H new ATOM 0 HZ3 LYS A 276 11.659 -0.940 -4.708 1.00 2.58 H new TER 409 LYS A 276