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 Set 1.1: A 265 THR OG1 : rot -44:sc= 1.84 USER MOD Set 1.2: A 273 SER OG : rot 145:sc= 1.28 USER MOD Single : A 258 THR OG1 : rot 66:sc= 1.24 USER MOD Single : A 259 THR OG1 : rot 54:sc= 1.2 USER MOD Single : A 262 THR OG1 : rot 88:sc= 1.25 USER MOD Single : A 263 MET CE :methyl 164:sc= -0.097 (180deg=-0.496) USER MOD Single : A 264 THR OG1 : rot -57:sc= 0.75 USER MOD Single : A 266 GLN : amide:sc= -0.0667 X(o=-0.067,f=-0.067) USER MOD Single : A 267 SER OG : rot 180:sc= 0 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 276 LYS NZ :NH3+ -148:sc= 0.872 (180deg=0.372) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 249 2.985 -12.247 3.088 1.00 3.58 N ATOM 2 CA ALA A 249 3.192 -11.415 1.867 1.00 3.44 C ATOM 3 C ALA A 249 1.900 -10.700 1.455 1.00 2.78 C ATOM 4 O ALA A 249 0.807 -11.156 1.783 1.00 2.62 O ATOM 5 CB ALA A 249 3.715 -12.274 0.725 1.00 3.93 C ATOM 0 HA ALA A 249 3.934 -10.652 2.101 1.00 3.44 H new ATOM 0 HB1 ALA A 249 3.861 -11.654 -0.159 1.00 3.93 H new ATOM 0 HB2 ALA A 249 4.665 -12.724 1.014 1.00 3.93 H new ATOM 0 HB3 ALA A 249 2.994 -13.060 0.501 1.00 3.93 H new ATOM 13 N PRO A 250 2.021 -9.559 0.744 1.00 2.62 N ATOM 14 CA PRO A 250 0.870 -8.765 0.292 1.00 2.15 C ATOM 15 C PRO A 250 0.142 -9.379 -0.923 1.00 1.89 C ATOM 16 O PRO A 250 0.069 -10.601 -1.062 1.00 2.59 O ATOM 17 CB PRO A 250 1.514 -7.415 -0.054 1.00 2.42 C ATOM 18 CG PRO A 250 2.919 -7.721 -0.427 1.00 2.96 C ATOM 19 CD PRO A 250 3.302 -8.957 0.333 1.00 3.13 C ATOM 0 HA PRO A 250 0.087 -8.702 1.047 1.00 2.15 H new ATOM 0 HB2 PRO A 250 0.988 -6.930 -0.876 1.00 2.42 H new ATOM 0 HB3 PRO A 250 1.474 -6.734 0.796 1.00 2.42 H new ATOM 0 HG2 PRO A 250 3.009 -7.883 -1.501 1.00 2.96 H new ATOM 0 HG3 PRO A 250 3.577 -6.890 -0.174 1.00 2.96 H new ATOM 0 HD2 PRO A 250 3.879 -9.641 -0.289 1.00 3.13 H new ATOM 0 HD3 PRO A 250 3.920 -8.714 1.197 1.00 3.13 H new ATOM 27 N ALA A 251 -0.403 -8.526 -1.790 1.00 1.31 N ATOM 28 CA ALA A 251 -1.132 -8.991 -2.979 1.00 1.53 C ATOM 29 C ALA A 251 -1.037 -7.981 -4.124 1.00 1.32 C ATOM 30 O ALA A 251 -0.369 -8.220 -5.129 1.00 1.33 O ATOM 31 CB ALA A 251 -2.600 -9.242 -2.640 1.00 2.06 C ATOM 0 H ALA A 251 -0.356 -7.511 -1.696 1.00 1.31 H new ATOM 0 HA ALA A 251 -0.669 -9.923 -3.303 1.00 1.53 H new ATOM 0 HB1 ALA A 251 -3.126 -9.586 -3.531 1.00 2.06 H new ATOM 0 HB2 ALA A 251 -2.669 -10.002 -1.862 1.00 2.06 H new ATOM 0 HB3 ALA A 251 -3.055 -8.317 -2.285 1.00 2.06 H new ATOM 37 N ARG A 252 -1.704 -6.845 -3.966 1.00 1.19 N ATOM 38 CA ARG A 252 -1.683 -5.805 -4.988 1.00 1.05 C ATOM 39 C ARG A 252 -0.619 -4.759 -4.710 1.00 0.92 C ATOM 40 O ARG A 252 -0.918 -3.602 -4.412 1.00 0.85 O ATOM 41 CB ARG A 252 -3.054 -5.163 -5.146 1.00 1.10 C ATOM 42 CG ARG A 252 -3.997 -6.015 -5.976 1.00 1.27 C ATOM 43 CD ARG A 252 -3.261 -6.654 -7.155 1.00 1.27 C ATOM 44 NE ARG A 252 -4.128 -7.532 -7.948 1.00 1.46 N ATOM 45 CZ ARG A 252 -3.711 -8.266 -8.965 1.00 1.53 C ATOM 46 NH1 ARG A 252 -2.458 -8.222 -9.342 1.00 1.47 N ATOM 47 NH2 ARG A 252 -4.551 -9.046 -9.604 1.00 1.74 N ATOM 0 H ARG A 252 -2.264 -6.620 -3.144 1.00 1.19 H new ATOM 0 HA ARG A 252 -1.424 -6.286 -5.931 1.00 1.05 H new ATOM 0 HB2 ARG A 252 -3.490 -4.996 -4.161 1.00 1.10 H new ATOM 0 HB3 ARG A 252 -2.943 -4.185 -5.615 1.00 1.10 H new ATOM 0 HG2 ARG A 252 -4.436 -6.793 -5.351 1.00 1.27 H new ATOM 0 HG3 ARG A 252 -4.819 -5.401 -6.345 1.00 1.27 H new ATOM 0 HD2 ARG A 252 -2.859 -5.870 -7.796 1.00 1.27 H new ATOM 0 HD3 ARG A 252 -2.412 -7.227 -6.782 1.00 1.27 H new ATOM 0 HE ARG A 252 -5.116 -7.579 -7.699 1.00 1.46 H new ATOM 0 HH11 ARG A 252 -1.798 -7.619 -8.850 1.00 1.47 H new ATOM 0 HH12 ARG A 252 -2.141 -8.791 -10.127 1.00 1.47 H new ATOM 0 HH21 ARG A 252 -5.529 -9.087 -9.316 1.00 1.74 H new ATOM 0 HH22 ARG A 252 -4.226 -9.611 -10.388 1.00 1.74 H new ATOM 61 N VAL A 253 0.623 -5.192 -4.819 1.00 0.97 N ATOM 62 CA VAL A 253 1.778 -4.331 -4.596 1.00 0.96 C ATOM 63 C VAL A 253 1.731 -3.087 -5.487 1.00 0.80 C ATOM 64 O VAL A 253 1.861 -1.963 -5.005 1.00 0.73 O ATOM 65 CB VAL A 253 3.076 -5.099 -4.881 1.00 1.16 C ATOM 66 CG1 VAL A 253 4.278 -4.324 -4.377 1.00 1.33 C ATOM 67 CG2 VAL A 253 3.014 -6.492 -4.267 1.00 1.34 C ATOM 0 H VAL A 253 0.864 -6.152 -5.065 1.00 0.97 H new ATOM 0 HA VAL A 253 1.752 -4.016 -3.553 1.00 0.96 H new ATOM 0 HB VAL A 253 3.186 -5.213 -5.959 1.00 1.16 H new ATOM 0 HG11 VAL A 253 5.188 -4.886 -4.589 1.00 1.33 H new ATOM 0 HG12 VAL A 253 4.324 -3.357 -4.878 1.00 1.33 H new ATOM 0 HG13 VAL A 253 4.188 -4.172 -3.301 1.00 1.33 H new ATOM 0 HG21 VAL A 253 3.942 -7.024 -4.478 1.00 1.34 H new ATOM 0 HG22 VAL A 253 2.880 -6.409 -3.188 1.00 1.34 H new ATOM 0 HG23 VAL A 253 2.175 -7.041 -4.695 1.00 1.34 H new ATOM 77 N GLY A 254 1.527 -3.308 -6.787 1.00 0.81 N ATOM 78 CA GLY A 254 1.447 -2.208 -7.738 1.00 0.77 C ATOM 79 C GLY A 254 0.328 -1.237 -7.399 1.00 0.64 C ATOM 80 O GLY A 254 0.530 -0.020 -7.386 1.00 0.61 O ATOM 0 H GLY A 254 1.415 -4.234 -7.199 1.00 0.81 H new ATOM 0 HA2 GLY A 254 2.397 -1.674 -7.754 1.00 0.77 H new ATOM 0 HA3 GLY A 254 1.289 -2.607 -8.740 1.00 0.77 H new ATOM 84 N LEU A 255 -0.849 -1.778 -7.095 1.00 0.64 N ATOM 85 CA LEU A 255 -2.001 -0.960 -6.721 1.00 0.64 C ATOM 86 C LEU A 255 -1.719 -0.182 -5.442 1.00 0.56 C ATOM 87 O LEU A 255 -2.011 1.009 -5.350 1.00 0.58 O ATOM 88 CB LEU A 255 -3.235 -1.829 -6.509 1.00 0.79 C ATOM 89 CG LEU A 255 -4.223 -1.846 -7.671 1.00 0.97 C ATOM 90 CD1 LEU A 255 -5.417 -2.723 -7.333 1.00 1.15 C ATOM 91 CD2 LEU A 255 -4.670 -0.430 -8.001 1.00 1.12 C ATOM 0 H LEU A 255 -1.031 -2.782 -7.100 1.00 0.64 H new ATOM 0 HA LEU A 255 -2.186 -0.261 -7.537 1.00 0.64 H new ATOM 0 HB2 LEU A 255 -2.911 -2.851 -6.313 1.00 0.79 H new ATOM 0 HB3 LEU A 255 -3.755 -1.483 -5.616 1.00 0.79 H new ATOM 0 HG LEU A 255 -3.729 -2.263 -8.548 1.00 0.97 H new ATOM 0 HD11 LEU A 255 -6.115 -2.727 -8.171 1.00 1.15 H new ATOM 0 HD12 LEU A 255 -5.078 -3.741 -7.139 1.00 1.15 H new ATOM 0 HD13 LEU A 255 -5.916 -2.332 -6.447 1.00 1.15 H new ATOM 0 HD21 LEU A 255 -5.375 -0.455 -8.832 1.00 1.12 H new ATOM 0 HD22 LEU A 255 -5.153 0.012 -7.129 1.00 1.12 H new ATOM 0 HD23 LEU A 255 -3.803 0.170 -8.279 1.00 1.12 H new ATOM 103 N GLY A 256 -1.147 -0.868 -4.457 1.00 0.57 N ATOM 104 CA GLY A 256 -0.831 -0.238 -3.197 1.00 0.58 C ATOM 105 C GLY A 256 0.171 0.891 -3.339 1.00 0.50 C ATOM 106 O GLY A 256 -0.075 1.996 -2.861 1.00 0.51 O ATOM 0 H GLY A 256 -0.897 -1.855 -4.514 1.00 0.57 H new ATOM 0 HA2 GLY A 256 -1.747 0.149 -2.750 1.00 0.58 H new ATOM 0 HA3 GLY A 256 -0.433 -0.986 -2.512 1.00 0.58 H new ATOM 110 N ILE A 257 1.296 0.631 -4.010 1.00 0.55 N ATOM 111 CA ILE A 257 2.309 1.669 -4.200 1.00 0.62 C ATOM 112 C ILE A 257 1.755 2.817 -5.051 1.00 0.58 C ATOM 113 O ILE A 257 2.047 3.984 -4.796 1.00 0.66 O ATOM 114 CB ILE A 257 3.633 1.124 -4.797 1.00 0.81 C ATOM 115 CG1 ILE A 257 3.435 0.517 -6.191 1.00 0.84 C ATOM 116 CG2 ILE A 257 4.244 0.105 -3.849 1.00 0.94 C ATOM 117 CD1 ILE A 257 3.737 1.478 -7.319 1.00 0.96 C ATOM 0 H ILE A 257 1.525 -0.273 -4.424 1.00 0.55 H new ATOM 0 HA ILE A 257 2.554 2.051 -3.209 1.00 0.62 H new ATOM 0 HB ILE A 257 4.316 1.965 -4.914 1.00 0.81 H new ATOM 0 HG12 ILE A 257 4.075 -0.360 -6.291 1.00 0.84 H new ATOM 0 HG13 ILE A 257 2.405 0.172 -6.285 1.00 0.84 H new ATOM 0 HG21 ILE A 257 5.174 -0.275 -4.273 1.00 0.94 H new ATOM 0 HG22 ILE A 257 4.450 0.579 -2.889 1.00 0.94 H new ATOM 0 HG23 ILE A 257 3.547 -0.721 -3.704 1.00 0.94 H new ATOM 0 HD11 ILE A 257 3.575 0.980 -8.275 1.00 0.96 H new ATOM 0 HD12 ILE A 257 3.079 2.344 -7.245 1.00 0.96 H new ATOM 0 HD13 ILE A 257 4.775 1.804 -7.251 1.00 0.96 H new ATOM 129 N THR A 258 0.923 2.481 -6.040 1.00 0.56 N ATOM 130 CA THR A 258 0.302 3.491 -6.894 1.00 0.68 C ATOM 131 C THR A 258 -0.662 4.346 -6.066 1.00 0.67 C ATOM 132 O THR A 258 -0.694 5.569 -6.195 1.00 0.78 O ATOM 133 CB THR A 258 -0.475 2.859 -8.072 1.00 0.78 C ATOM 134 OG1 THR A 258 0.404 2.062 -8.876 1.00 0.84 O ATOM 135 CG2 THR A 258 -1.126 3.928 -8.939 1.00 1.01 C ATOM 0 H THR A 258 0.666 1.520 -6.267 1.00 0.56 H new ATOM 0 HA THR A 258 1.103 4.105 -7.306 1.00 0.68 H new ATOM 0 HB THR A 258 -1.258 2.228 -7.653 1.00 0.78 H new ATOM 0 HG1 THR A 258 0.715 1.292 -8.356 1.00 0.84 H new ATOM 0 HG21 THR A 258 -1.665 3.453 -9.759 1.00 1.01 H new ATOM 0 HG22 THR A 258 -1.823 4.511 -8.336 1.00 1.01 H new ATOM 0 HG23 THR A 258 -0.357 4.586 -9.343 1.00 1.01 H new ATOM 143 N THR A 259 -1.428 3.683 -5.191 1.00 0.61 N ATOM 144 CA THR A 259 -2.374 4.371 -4.311 1.00 0.72 C ATOM 145 C THR A 259 -1.622 5.288 -3.351 1.00 0.69 C ATOM 146 O THR A 259 -1.947 6.469 -3.224 1.00 0.82 O ATOM 147 CB THR A 259 -3.231 3.376 -3.493 1.00 0.79 C ATOM 148 OG1 THR A 259 -3.925 2.474 -4.369 1.00 0.86 O ATOM 149 CG2 THR A 259 -4.243 4.108 -2.623 1.00 0.99 C ATOM 0 H THR A 259 -1.409 2.670 -5.075 1.00 0.61 H new ATOM 0 HA THR A 259 -3.041 4.955 -4.945 1.00 0.72 H new ATOM 0 HB THR A 259 -2.556 2.813 -2.849 1.00 0.79 H new ATOM 0 HG1 THR A 259 -3.282 2.040 -4.968 1.00 0.86 H new ATOM 0 HG21 THR A 259 -4.831 3.383 -2.060 1.00 0.99 H new ATOM 0 HG22 THR A 259 -3.719 4.766 -1.930 1.00 0.99 H new ATOM 0 HG23 THR A 259 -4.905 4.700 -3.255 1.00 0.99 H new ATOM 157 N VAL A 260 -0.591 4.743 -2.705 1.00 0.59 N ATOM 158 CA VAL A 260 0.233 5.519 -1.781 1.00 0.63 C ATOM 159 C VAL A 260 0.882 6.697 -2.507 1.00 0.67 C ATOM 160 O VAL A 260 0.800 7.833 -2.043 1.00 0.76 O ATOM 161 CB VAL A 260 1.331 4.650 -1.128 1.00 0.67 C ATOM 162 CG1 VAL A 260 2.257 5.502 -0.271 1.00 0.81 C ATOM 163 CG2 VAL A 260 0.714 3.539 -0.294 1.00 0.76 C ATOM 0 H VAL A 260 -0.308 3.768 -2.805 1.00 0.59 H new ATOM 0 HA VAL A 260 -0.424 5.890 -0.994 1.00 0.63 H new ATOM 0 HB VAL A 260 1.920 4.197 -1.926 1.00 0.67 H new ATOM 0 HG11 VAL A 260 3.022 4.869 0.179 1.00 0.81 H new ATOM 0 HG12 VAL A 260 2.733 6.260 -0.893 1.00 0.81 H new ATOM 0 HG13 VAL A 260 1.680 5.988 0.516 1.00 0.81 H new ATOM 0 HG21 VAL A 260 1.505 2.940 0.156 1.00 0.76 H new ATOM 0 HG22 VAL A 260 0.096 3.974 0.492 1.00 0.76 H new ATOM 0 HG23 VAL A 260 0.097 2.905 -0.931 1.00 0.76 H new ATOM 173 N LEU A 261 1.500 6.421 -3.662 1.00 0.68 N ATOM 174 CA LEU A 261 2.143 7.461 -4.471 1.00 0.83 C ATOM 175 C LEU A 261 1.126 8.550 -4.820 1.00 0.93 C ATOM 176 O LEU A 261 1.418 9.741 -4.734 1.00 1.05 O ATOM 177 CB LEU A 261 2.718 6.849 -5.757 1.00 0.92 C ATOM 178 CG LEU A 261 4.091 7.376 -6.197 1.00 0.89 C ATOM 179 CD1 LEU A 261 4.026 8.853 -6.553 1.00 0.97 C ATOM 180 CD2 LEU A 261 5.126 7.132 -5.109 1.00 1.30 C ATOM 0 H LEU A 261 1.568 5.483 -4.057 1.00 0.68 H new ATOM 0 HA LEU A 261 2.957 7.904 -3.897 1.00 0.83 H new ATOM 0 HB2 LEU A 261 2.791 5.770 -5.621 1.00 0.92 H new ATOM 0 HB3 LEU A 261 2.008 7.021 -6.566 1.00 0.92 H new ATOM 0 HG LEU A 261 4.390 6.831 -7.092 1.00 0.89 H new ATOM 0 HD11 LEU A 261 5.014 9.197 -6.861 1.00 0.97 H new ATOM 0 HD12 LEU A 261 3.320 9.000 -7.370 1.00 0.97 H new ATOM 0 HD13 LEU A 261 3.698 9.423 -5.684 1.00 0.97 H new ATOM 0 HD21 LEU A 261 6.094 7.511 -5.436 1.00 1.30 H new ATOM 0 HD22 LEU A 261 4.824 7.647 -4.197 1.00 1.30 H new ATOM 0 HD23 LEU A 261 5.203 6.063 -4.913 1.00 1.30 H new ATOM 192 N THR A 262 -0.079 8.120 -5.187 1.00 0.93 N ATOM 193 CA THR A 262 -1.168 9.039 -5.522 1.00 1.10 C ATOM 194 C THR A 262 -1.529 9.912 -4.316 1.00 1.13 C ATOM 195 O THR A 262 -1.655 11.131 -4.434 1.00 1.25 O ATOM 196 CB THR A 262 -2.423 8.266 -5.984 1.00 1.16 C ATOM 197 OG1 THR A 262 -2.134 7.528 -7.180 1.00 1.20 O ATOM 198 CG2 THR A 262 -3.591 9.206 -6.238 1.00 1.33 C ATOM 0 H THR A 262 -0.329 7.134 -5.261 1.00 0.93 H new ATOM 0 HA THR A 262 -0.822 9.674 -6.338 1.00 1.10 H new ATOM 0 HB THR A 262 -2.703 7.578 -5.186 1.00 1.16 H new ATOM 0 HG1 THR A 262 -1.785 6.644 -6.942 1.00 1.20 H new ATOM 0 HG21 THR A 262 -4.458 8.630 -6.562 1.00 1.33 H new ATOM 0 HG22 THR A 262 -3.833 9.742 -5.320 1.00 1.33 H new ATOM 0 HG23 THR A 262 -3.320 9.921 -7.015 1.00 1.33 H new ATOM 206 N MET A 263 -1.684 9.272 -3.157 1.00 1.04 N ATOM 207 CA MET A 263 -2.021 9.974 -1.915 1.00 1.11 C ATOM 208 C MET A 263 -0.924 10.969 -1.510 1.00 1.10 C ATOM 209 O MET A 263 -1.195 12.152 -1.315 1.00 1.23 O ATOM 210 CB MET A 263 -2.246 8.969 -0.784 1.00 1.09 C ATOM 211 CG MET A 263 -3.440 8.056 -1.004 1.00 1.19 C ATOM 212 SD MET A 263 -3.588 6.786 0.269 1.00 1.30 S ATOM 213 CE MET A 263 -3.811 7.794 1.733 1.00 1.51 C ATOM 0 H MET A 263 -1.581 8.263 -3.051 1.00 1.04 H new ATOM 0 HA MET A 263 -2.938 10.535 -2.094 1.00 1.11 H new ATOM 0 HB2 MET A 263 -1.350 8.359 -0.669 1.00 1.09 H new ATOM 0 HB3 MET A 263 -2.383 9.513 0.151 1.00 1.09 H new ATOM 0 HG2 MET A 263 -4.351 8.654 -1.023 1.00 1.19 H new ATOM 0 HG3 MET A 263 -3.352 7.578 -1.980 1.00 1.19 H new ATOM 0 HE1 MET A 263 -4.195 7.177 2.545 1.00 1.51 H new ATOM 0 HE2 MET A 263 -2.854 8.225 2.027 1.00 1.51 H new ATOM 0 HE3 MET A 263 -4.519 8.594 1.519 1.00 1.51 H new ATOM 223 N THR A 264 0.318 10.493 -1.397 1.00 0.99 N ATOM 224 CA THR A 264 1.439 11.370 -1.027 1.00 1.03 C ATOM 225 C THR A 264 2.044 12.055 -2.266 1.00 1.05 C ATOM 226 O THR A 264 3.264 12.106 -2.443 1.00 1.11 O ATOM 227 CB THR A 264 2.546 10.613 -0.240 1.00 1.05 C ATOM 228 OG1 THR A 264 3.602 11.513 0.118 1.00 1.15 O ATOM 229 CG2 THR A 264 3.122 9.452 -1.041 1.00 1.00 C ATOM 0 H THR A 264 0.575 9.518 -1.553 1.00 0.99 H new ATOM 0 HA THR A 264 1.028 12.135 -0.368 1.00 1.03 H new ATOM 0 HB THR A 264 2.083 10.207 0.659 1.00 1.05 H new ATOM 0 HG1 THR A 264 3.956 11.939 -0.690 1.00 1.15 H new ATOM 0 HG21 THR A 264 3.892 8.951 -0.454 1.00 1.00 H new ATOM 0 HG22 THR A 264 2.328 8.744 -1.278 1.00 1.00 H new ATOM 0 HG23 THR A 264 3.559 9.829 -1.965 1.00 1.00 H new ATOM 237 N THR A 265 1.171 12.585 -3.122 1.00 1.11 N ATOM 238 CA THR A 265 1.586 13.265 -4.356 1.00 1.22 C ATOM 239 C THR A 265 2.187 14.660 -4.090 1.00 1.09 C ATOM 240 O THR A 265 1.897 15.626 -4.796 1.00 1.22 O ATOM 241 CB THR A 265 0.394 13.385 -5.337 1.00 1.39 C ATOM 242 OG1 THR A 265 0.808 13.987 -6.573 1.00 1.55 O ATOM 243 CG2 THR A 265 -0.748 14.192 -4.726 1.00 1.38 C ATOM 0 H THR A 265 0.161 12.557 -2.984 1.00 1.11 H new ATOM 0 HA THR A 265 2.368 12.652 -4.804 1.00 1.22 H new ATOM 0 HB THR A 265 0.035 12.376 -5.538 1.00 1.39 H new ATOM 0 HG1 THR A 265 1.382 14.758 -6.385 1.00 1.55 H new ATOM 0 HG21 THR A 265 -1.569 14.258 -5.440 1.00 1.38 H new ATOM 0 HG22 THR A 265 -1.095 13.700 -3.817 1.00 1.38 H new ATOM 0 HG23 THR A 265 -0.396 15.195 -4.484 1.00 1.38 H new ATOM 251 N GLN A 266 3.041 14.755 -3.080 1.00 0.93 N ATOM 252 CA GLN A 266 3.690 16.019 -2.732 1.00 0.87 C ATOM 253 C GLN A 266 5.093 16.112 -3.349 1.00 0.94 C ATOM 254 O GLN A 266 6.093 16.152 -2.635 1.00 1.06 O ATOM 255 CB GLN A 266 3.767 16.172 -1.206 1.00 0.95 C ATOM 256 CG GLN A 266 2.419 16.422 -0.544 1.00 1.03 C ATOM 257 CD GLN A 266 1.827 17.771 -0.909 1.00 1.03 C ATOM 258 OE1 GLN A 266 2.395 18.815 -0.610 1.00 1.10 O ATOM 259 NE2 GLN A 266 0.682 17.758 -1.571 1.00 1.24 N ATOM 0 H GLN A 266 3.303 13.971 -2.483 1.00 0.93 H new ATOM 0 HA GLN A 266 3.089 16.832 -3.141 1.00 0.87 H new ATOM 0 HB2 GLN A 266 4.208 15.270 -0.782 1.00 0.95 H new ATOM 0 HB3 GLN A 266 4.437 16.997 -0.966 1.00 0.95 H new ATOM 0 HG2 GLN A 266 1.724 15.634 -0.836 1.00 1.03 H new ATOM 0 HG3 GLN A 266 2.534 16.361 0.538 1.00 1.03 H new ATOM 0 HE21 GLN A 266 0.237 16.870 -1.803 1.00 1.24 H new ATOM 0 HE22 GLN A 266 0.244 18.636 -1.849 1.00 1.24 H new ATOM 268 N SER A 267 5.165 16.140 -4.678 1.00 1.19 N ATOM 269 CA SER A 267 6.461 16.223 -5.366 1.00 1.43 C ATOM 270 C SER A 267 6.314 16.773 -6.785 1.00 1.43 C ATOM 271 O SER A 267 5.480 16.308 -7.564 1.00 1.44 O ATOM 272 CB SER A 267 7.135 14.844 -5.417 1.00 1.68 C ATOM 273 OG SER A 267 8.420 14.924 -6.017 1.00 1.93 O ATOM 0 H SER A 267 4.355 16.107 -5.297 1.00 1.19 H new ATOM 0 HA SER A 267 7.085 16.911 -4.795 1.00 1.43 H new ATOM 0 HB2 SER A 267 7.226 14.443 -4.408 1.00 1.68 H new ATOM 0 HB3 SER A 267 6.510 14.151 -5.980 1.00 1.68 H new ATOM 0 HG SER A 267 8.828 14.033 -6.036 1.00 1.93 H new ATOM 279 N SER A 268 7.139 17.763 -7.118 1.00 1.60 N ATOM 280 CA SER A 268 7.115 18.371 -8.448 1.00 1.69 C ATOM 281 C SER A 268 8.107 17.668 -9.380 1.00 1.99 C ATOM 282 O SER A 268 9.307 17.631 -9.108 1.00 2.31 O ATOM 283 CB SER A 268 7.446 19.869 -8.367 1.00 1.93 C ATOM 284 OG SER A 268 6.452 20.582 -7.644 1.00 1.79 O ATOM 0 H SER A 268 7.833 18.162 -6.486 1.00 1.60 H new ATOM 0 HA SER A 268 6.109 18.256 -8.852 1.00 1.69 H new ATOM 0 HB2 SER A 268 8.415 20.003 -7.886 1.00 1.93 H new ATOM 0 HB3 SER A 268 7.530 20.279 -9.373 1.00 1.93 H new ATOM 0 HG SER A 268 6.692 21.532 -7.608 1.00 1.79 H new ATOM 290 N GLY A 269 7.601 17.110 -10.479 1.00 1.92 N ATOM 291 CA GLY A 269 8.464 16.414 -11.425 1.00 2.23 C ATOM 292 C GLY A 269 7.693 15.782 -12.574 1.00 2.14 C ATOM 293 O GLY A 269 6.829 16.423 -13.170 1.00 2.00 O ATOM 0 H GLY A 269 6.613 17.126 -10.732 1.00 1.92 H new ATOM 0 HA2 GLY A 269 9.195 17.116 -11.827 1.00 2.23 H new ATOM 0 HA3 GLY A 269 9.022 15.639 -10.899 1.00 2.23 H new ATOM 297 N SER A 270 8.008 14.523 -12.890 1.00 2.28 N ATOM 298 CA SER A 270 7.333 13.809 -13.983 1.00 2.29 C ATOM 299 C SER A 270 5.832 13.660 -13.711 1.00 1.96 C ATOM 300 O SER A 270 5.012 13.825 -14.612 1.00 1.89 O ATOM 301 CB SER A 270 7.965 12.428 -14.199 1.00 2.61 C ATOM 302 OG SER A 270 9.359 12.534 -14.439 1.00 2.93 O ATOM 0 H SER A 270 8.722 13.977 -12.408 1.00 2.28 H new ATOM 0 HA SER A 270 7.458 14.403 -14.888 1.00 2.29 H new ATOM 0 HB2 SER A 270 7.791 11.804 -13.322 1.00 2.61 H new ATOM 0 HB3 SER A 270 7.485 11.933 -15.043 1.00 2.61 H new ATOM 0 HG SER A 270 9.737 11.640 -14.572 1.00 2.93 H new ATOM 308 N ARG A 271 5.475 13.365 -12.462 1.00 1.81 N ATOM 309 CA ARG A 271 4.069 13.224 -12.085 1.00 1.54 C ATOM 310 C ARG A 271 3.413 14.597 -11.915 1.00 1.20 C ATOM 311 O ARG A 271 3.916 15.451 -11.183 1.00 1.14 O ATOM 312 CB ARG A 271 3.930 12.428 -10.781 1.00 1.60 C ATOM 313 CG ARG A 271 2.496 12.356 -10.269 1.00 1.45 C ATOM 314 CD ARG A 271 2.421 11.761 -8.870 1.00 1.56 C ATOM 315 NE ARG A 271 1.105 11.948 -8.260 1.00 1.51 N ATOM 316 CZ ARG A 271 0.028 11.256 -8.567 1.00 1.63 C ATOM 317 NH1 ARG A 271 0.079 10.304 -9.465 1.00 1.80 N ATOM 318 NH2 ARG A 271 -1.103 11.523 -7.972 1.00 1.65 N ATOM 0 H ARG A 271 6.135 13.220 -11.698 1.00 1.81 H new ATOM 0 HA ARG A 271 3.565 12.684 -12.886 1.00 1.54 H new ATOM 0 HB2 ARG A 271 4.303 11.416 -10.939 1.00 1.60 H new ATOM 0 HB3 ARG A 271 4.559 12.884 -10.016 1.00 1.60 H new ATOM 0 HG2 ARG A 271 2.063 13.356 -10.262 1.00 1.45 H new ATOM 0 HG3 ARG A 271 1.897 11.754 -10.952 1.00 1.45 H new ATOM 0 HD2 ARG A 271 2.650 10.696 -8.917 1.00 1.56 H new ATOM 0 HD3 ARG A 271 3.181 12.223 -8.239 1.00 1.56 H new ATOM 0 HE ARG A 271 1.015 12.668 -7.543 1.00 1.51 H new ATOM 0 HH11 ARG A 271 0.959 10.092 -9.934 1.00 1.80 H new ATOM 0 HH12 ARG A 271 -0.762 9.774 -9.695 1.00 1.80 H new ATOM 0 HH21 ARG A 271 -1.149 12.265 -7.273 1.00 1.65 H new ATOM 0 HH22 ARG A 271 -1.941 10.990 -8.206 1.00 1.65 H new ATOM 332 N ALA A 272 2.288 14.800 -12.589 1.00 1.09 N ATOM 333 CA ALA A 272 1.562 16.063 -12.508 1.00 0.89 C ATOM 334 C ALA A 272 0.851 16.210 -11.162 1.00 0.66 C ATOM 335 O ALA A 272 -0.326 15.864 -11.030 1.00 0.79 O ATOM 336 CB ALA A 272 0.561 16.169 -13.649 1.00 1.02 C ATOM 0 H ALA A 272 1.857 14.105 -13.199 1.00 1.09 H new ATOM 0 HA ALA A 272 2.286 16.873 -12.595 1.00 0.89 H new ATOM 0 HB1 ALA A 272 0.026 17.116 -13.577 1.00 1.02 H new ATOM 0 HB2 ALA A 272 1.089 16.122 -14.602 1.00 1.02 H new ATOM 0 HB3 ALA A 272 -0.150 15.345 -13.587 1.00 1.02 H new ATOM 342 N SER A 273 1.569 16.719 -10.160 1.00 0.69 N ATOM 343 CA SER A 273 0.996 16.907 -8.820 1.00 0.54 C ATOM 344 C SER A 273 0.031 18.082 -8.769 1.00 0.77 C ATOM 345 O SER A 273 0.212 19.022 -7.995 1.00 1.09 O ATOM 346 CB SER A 273 2.078 17.093 -7.758 1.00 0.73 C ATOM 347 OG SER A 273 2.882 15.931 -7.624 1.00 1.41 O ATOM 0 H SER A 273 2.543 17.008 -10.246 1.00 0.69 H new ATOM 0 HA SER A 273 0.443 15.994 -8.602 1.00 0.54 H new ATOM 0 HB2 SER A 273 2.707 17.943 -8.023 1.00 0.73 H new ATOM 0 HB3 SER A 273 1.613 17.327 -6.800 1.00 0.73 H new ATOM 0 HG SER A 273 3.805 16.193 -7.423 1.00 1.41 H new ATOM 353 N LEU A 274 -1.024 17.991 -9.561 1.00 0.89 N ATOM 354 CA LEU A 274 -2.056 19.011 -9.566 1.00 1.35 C ATOM 355 C LEU A 274 -3.448 18.393 -9.290 1.00 1.63 C ATOM 356 O LEU A 274 -4.427 18.760 -9.939 1.00 1.96 O ATOM 357 CB LEU A 274 -2.052 19.756 -10.907 1.00 1.52 C ATOM 358 CG LEU A 274 -2.865 21.054 -10.936 1.00 2.05 C ATOM 359 CD1 LEU A 274 -2.301 22.065 -9.950 1.00 2.31 C ATOM 360 CD2 LEU A 274 -2.886 21.636 -12.340 1.00 2.24 C ATOM 0 H LEU A 274 -1.187 17.220 -10.209 1.00 0.89 H new ATOM 0 HA LEU A 274 -1.842 19.722 -8.768 1.00 1.35 H new ATOM 0 HB2 LEU A 274 -1.020 19.987 -11.173 1.00 1.52 H new ATOM 0 HB3 LEU A 274 -2.438 19.087 -11.677 1.00 1.52 H new ATOM 0 HG LEU A 274 -3.888 20.823 -10.640 1.00 2.05 H new ATOM 0 HD11 LEU A 274 -2.894 22.979 -9.987 1.00 2.31 H new ATOM 0 HD12 LEU A 274 -2.337 21.650 -8.943 1.00 2.31 H new ATOM 0 HD13 LEU A 274 -1.268 22.292 -10.212 1.00 2.31 H new ATOM 0 HD21 LEU A 274 -3.468 22.558 -12.343 1.00 2.24 H new ATOM 0 HD22 LEU A 274 -1.866 21.849 -12.661 1.00 2.24 H new ATOM 0 HD23 LEU A 274 -3.339 20.919 -13.024 1.00 2.24 H new ATOM 372 N PRO A 275 -3.572 17.431 -8.323 1.00 1.64 N ATOM 373 CA PRO A 275 -4.869 16.792 -7.999 1.00 2.09 C ATOM 374 C PRO A 275 -5.915 17.797 -7.511 1.00 2.53 C ATOM 375 O PRO A 275 -7.116 17.622 -7.729 1.00 2.89 O ATOM 376 CB PRO A 275 -4.512 15.811 -6.877 1.00 2.10 C ATOM 377 CG PRO A 275 -3.074 15.540 -7.097 1.00 1.63 C ATOM 378 CD PRO A 275 -2.498 16.870 -7.474 1.00 1.31 C ATOM 0 HA PRO A 275 -5.316 16.321 -8.875 1.00 2.09 H new ATOM 0 HB2 PRO A 275 -4.693 16.244 -5.893 1.00 2.10 H new ATOM 0 HB3 PRO A 275 -5.106 14.899 -6.938 1.00 2.10 H new ATOM 0 HG2 PRO A 275 -2.602 15.143 -6.198 1.00 1.63 H new ATOM 0 HG3 PRO A 275 -2.925 14.804 -7.887 1.00 1.63 H new ATOM 0 HD2 PRO A 275 -2.299 17.492 -6.601 1.00 1.31 H new ATOM 0 HD3 PRO A 275 -1.558 16.770 -8.016 1.00 1.31 H new ATOM 386 N LYS A 276 -5.445 18.853 -6.850 1.00 2.58 N ATOM 387 CA LYS A 276 -6.317 19.894 -6.332 1.00 3.06 C ATOM 388 C LYS A 276 -5.544 21.198 -6.099 1.00 3.25 C ATOM 389 O LYS A 276 -4.312 21.129 -5.893 1.00 3.07 O ATOM 390 CB LYS A 276 -6.982 19.438 -5.029 1.00 3.29 C ATOM 391 CG LYS A 276 -8.100 20.354 -4.554 1.00 3.81 C ATOM 392 CD LYS A 276 -9.332 20.252 -5.444 1.00 4.19 C ATOM 393 CE LYS A 276 -9.160 20.974 -6.776 1.00 4.29 C ATOM 394 NZ LYS A 276 -8.703 22.380 -6.596 1.00 4.42 N ATOM 395 OXT LYS A 276 -6.185 22.279 -6.133 1.00 3.77 O ATOM 0 H LYS A 276 -4.454 19.007 -6.661 1.00 2.58 H new ATOM 0 HA LYS A 276 -7.090 20.083 -7.077 1.00 3.06 H new ATOM 0 HB2 LYS A 276 -7.383 18.434 -5.169 1.00 3.29 H new ATOM 0 HB3 LYS A 276 -6.223 19.372 -4.249 1.00 3.29 H new ATOM 0 HG2 LYS A 276 -8.370 20.097 -3.530 1.00 3.81 H new ATOM 0 HG3 LYS A 276 -7.745 21.384 -4.542 1.00 3.81 H new ATOM 0 HD2 LYS A 276 -9.553 19.201 -5.631 1.00 4.19 H new ATOM 0 HD3 LYS A 276 -10.190 20.670 -4.918 1.00 4.19 H new ATOM 0 HE2 LYS A 276 -8.439 20.435 -7.390 1.00 4.29 H new ATOM 0 HE3 LYS A 276 -10.107 20.967 -7.316 1.00 4.29 H new ATOM 0 HZ1 LYS A 276 -9.093 22.972 -7.357 1.00 4.42 H new ATOM 0 HZ2 LYS A 276 -9.032 22.737 -5.676 1.00 4.42 H new ATOM 0 HZ3 LYS A 276 -7.664 22.414 -6.629 1.00 4.42 H new TER 409 LYS A 276