USER MOD reduce.3.24.130724 H: found=0, std=0, add=312, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 315 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 292 GLN : amide:sc= 0.00306 X(o=-1.1,f=-1.1) USER MOD Set 1.2: A 296 GLN : amide:sc= -1.11 K(o=-1.1,f=-3.6!) 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 266 SER OG : rot 180:sc= -1.65! USER MOD Single : A 267 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 268 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 273 THR OG1 : rot 180:sc= 0.0142 USER MOD Single : A 279 SER OG : rot 180:sc= 0 USER MOD Single : A 280 SER OG : rot 180:sc= 0 USER MOD Single : A 281 MET CE :methyl -178:sc= -9.21! (180deg=-9.43!) USER MOD Single : A 282 THR OG1 : rot 180:sc= -0.885! USER MOD Single : A 286 GLN : amide:sc= -2.89! K(o=-2.9!,f=-1.5) USER MOD Single : A 289 TYR OH : rot 180:sc= 0 USER MOD Single : A 291 MET CE :methyl -144:sc= -10.5! (180deg=-14!) USER MOD Single : A 293 MET CE :methyl -174:sc= -0.0055 (180deg=-0.0952) USER MOD Single : A 294 SER OG : rot 180:sc= 0 USER MOD Single : A 302 GLN : amide:sc= -0.0782 X(o=-0.078,f=-0.57) USER MOD Single : A 305 SER OG : rot 180:sc= 0.0865 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 263 10.476 -10.783 1.208 1.00 0.00 N ATOM 2 CA MET A 263 10.381 -11.770 2.317 1.00 0.00 C ATOM 3 C MET A 263 11.633 -12.639 2.389 1.00 0.00 C ATOM 4 O MET A 263 11.903 -13.274 3.408 1.00 0.00 O ATOM 5 CB MET A 263 9.146 -12.643 2.089 1.00 0.00 C ATOM 6 CG MET A 263 7.883 -12.088 2.727 1.00 0.00 C ATOM 7 SD MET A 263 7.791 -12.429 4.495 1.00 0.00 S ATOM 8 CE MET A 263 6.111 -13.034 4.637 1.00 0.00 C ATOM 0 HA MET A 263 10.295 -11.237 3.264 1.00 0.00 H new ATOM 0 HB2 MET A 263 8.983 -12.754 1.017 1.00 0.00 H new ATOM 0 HB3 MET A 263 9.337 -13.639 2.488 1.00 0.00 H new ATOM 0 HG2 MET A 263 7.842 -11.011 2.566 1.00 0.00 H new ATOM 0 HG3 MET A 263 7.012 -12.517 2.232 1.00 0.00 H new ATOM 0 HE1 MET A 263 5.902 -13.288 5.676 1.00 0.00 H new ATOM 0 HE2 MET A 263 5.417 -12.262 4.306 1.00 0.00 H new ATOM 0 HE3 MET A 263 5.990 -13.921 4.016 1.00 0.00 H new ATOM 20 N THR A 264 12.394 -12.661 1.300 1.00 0.00 N ATOM 21 CA THR A 264 13.617 -13.453 1.238 1.00 0.00 C ATOM 22 C THR A 264 14.834 -12.556 1.046 1.00 0.00 C ATOM 23 O THR A 264 15.495 -12.172 2.011 1.00 0.00 O ATOM 24 CB THR A 264 13.534 -14.470 0.099 1.00 0.00 C ATOM 25 OG1 THR A 264 12.608 -15.496 0.409 1.00 0.00 O ATOM 26 CG2 THR A 264 14.859 -15.126 -0.216 1.00 0.00 C ATOM 0 H THR A 264 12.186 -12.140 0.448 1.00 0.00 H new ATOM 0 HA THR A 264 13.725 -13.985 2.183 1.00 0.00 H new ATOM 0 HB THR A 264 13.214 -13.900 -0.773 1.00 0.00 H new ATOM 0 HG1 THR A 264 12.568 -16.136 -0.332 1.00 0.00 H new ATOM 0 HG21 THR A 264 14.729 -15.836 -1.033 1.00 0.00 H new ATOM 0 HG22 THR A 264 15.582 -14.364 -0.509 1.00 0.00 H new ATOM 0 HG23 THR A 264 15.224 -15.652 0.667 1.00 0.00 H new ATOM 34 N ILE A 265 15.125 -12.223 -0.208 1.00 0.00 N ATOM 35 CA ILE A 265 16.262 -11.370 -0.529 1.00 0.00 C ATOM 36 C ILE A 265 16.108 -9.990 0.102 1.00 0.00 C ATOM 37 O ILE A 265 16.568 -9.752 1.219 1.00 0.00 O ATOM 38 CB ILE A 265 16.432 -11.210 -2.051 1.00 0.00 C ATOM 39 CG1 ILE A 265 16.872 -12.534 -2.679 1.00 0.00 C ATOM 40 CG2 ILE A 265 17.439 -10.112 -2.363 1.00 0.00 C ATOM 41 CD1 ILE A 265 17.154 -12.433 -4.163 1.00 0.00 C ATOM 0 H ILE A 265 14.588 -12.532 -1.018 1.00 0.00 H new ATOM 0 HA ILE A 265 17.148 -11.857 -0.122 1.00 0.00 H new ATOM 0 HB ILE A 265 15.471 -10.926 -2.479 1.00 0.00 H new ATOM 0 HG12 ILE A 265 17.768 -12.889 -2.170 1.00 0.00 H new ATOM 0 HG13 ILE A 265 16.095 -13.281 -2.515 1.00 0.00 H new ATOM 0 HG21 ILE A 265 17.546 -10.013 -3.443 1.00 0.00 H new ATOM 0 HG22 ILE A 265 17.089 -9.168 -1.945 1.00 0.00 H new ATOM 0 HG23 ILE A 265 18.404 -10.368 -1.924 1.00 0.00 H new ATOM 0 HD11 ILE A 265 17.461 -13.408 -4.542 1.00 0.00 H new ATOM 0 HD12 ILE A 265 16.253 -12.108 -4.683 1.00 0.00 H new ATOM 0 HD13 ILE A 265 17.952 -11.710 -4.333 1.00 0.00 H new ATOM 53 N SER A 266 15.459 -9.084 -0.621 1.00 0.00 N ATOM 54 CA SER A 266 15.244 -7.728 -0.132 1.00 0.00 C ATOM 55 C SER A 266 16.567 -7.072 0.248 1.00 0.00 C ATOM 56 O SER A 266 17.564 -7.754 0.486 1.00 0.00 O ATOM 57 CB SER A 266 14.304 -7.739 1.074 1.00 0.00 C ATOM 58 OG SER A 266 14.796 -6.909 2.112 1.00 0.00 O ATOM 0 H SER A 266 15.073 -9.264 -1.548 1.00 0.00 H new ATOM 0 HA SER A 266 14.787 -7.149 -0.934 1.00 0.00 H new ATOM 0 HB2 SER A 266 13.314 -7.399 0.770 1.00 0.00 H new ATOM 0 HB3 SER A 266 14.192 -8.759 1.442 1.00 0.00 H new ATOM 0 HG SER A 266 14.176 -6.932 2.871 1.00 0.00 H new ATOM 64 N GLN A 267 16.571 -5.744 0.301 1.00 0.00 N ATOM 65 CA GLN A 267 17.772 -4.996 0.652 1.00 0.00 C ATOM 66 C GLN A 267 18.788 -5.033 -0.486 1.00 0.00 C ATOM 67 O GLN A 267 19.941 -4.640 -0.312 1.00 0.00 O ATOM 68 CB GLN A 267 18.398 -5.562 1.928 1.00 0.00 C ATOM 69 CG GLN A 267 17.427 -5.653 3.094 1.00 0.00 C ATOM 70 CD GLN A 267 18.128 -5.880 4.419 1.00 0.00 C ATOM 71 OE1 GLN A 267 19.302 -6.244 4.460 1.00 0.00 O ATOM 72 NE2 GLN A 267 17.407 -5.663 5.513 1.00 0.00 N ATOM 0 H GLN A 267 15.755 -5.164 0.105 1.00 0.00 H new ATOM 0 HA GLN A 267 17.485 -3.959 0.826 1.00 0.00 H new ATOM 0 HB2 GLN A 267 18.795 -6.555 1.718 1.00 0.00 H new ATOM 0 HB3 GLN A 267 19.242 -4.936 2.217 1.00 0.00 H new ATOM 0 HG2 GLN A 267 16.843 -4.734 3.149 1.00 0.00 H new ATOM 0 HG3 GLN A 267 16.724 -6.467 2.915 1.00 0.00 H new ATOM 0 HE21 GLN A 267 16.436 -5.362 5.432 1.00 0.00 H new ATOM 0 HE22 GLN A 267 17.824 -5.798 6.434 1.00 0.00 H new ATOM 81 N GLN A 268 18.352 -5.510 -1.648 1.00 0.00 N ATOM 82 CA GLN A 268 19.226 -5.598 -2.812 1.00 0.00 C ATOM 83 C GLN A 268 18.415 -5.598 -4.104 1.00 0.00 C ATOM 84 O GLN A 268 17.796 -6.600 -4.461 1.00 0.00 O ATOM 85 CB GLN A 268 20.085 -6.862 -2.735 1.00 0.00 C ATOM 86 CG GLN A 268 20.647 -7.130 -1.349 1.00 0.00 C ATOM 87 CD GLN A 268 21.606 -8.305 -1.326 1.00 0.00 C ATOM 88 OE1 GLN A 268 22.781 -8.171 -1.665 1.00 0.00 O ATOM 89 NE2 GLN A 268 21.105 -9.467 -0.922 1.00 0.00 N ATOM 0 H GLN A 268 17.401 -5.841 -1.808 1.00 0.00 H new ATOM 0 HA GLN A 268 19.877 -4.723 -2.814 1.00 0.00 H new ATOM 0 HB2 GLN A 268 19.487 -7.718 -3.047 1.00 0.00 H new ATOM 0 HB3 GLN A 268 20.910 -6.775 -3.442 1.00 0.00 H new ATOM 0 HG2 GLN A 268 21.162 -6.238 -0.991 1.00 0.00 H new ATOM 0 HG3 GLN A 268 19.826 -7.322 -0.659 1.00 0.00 H new ATOM 0 HE21 GLN A 268 20.124 -9.532 -0.650 1.00 0.00 H new ATOM 0 HE22 GLN A 268 21.701 -10.294 -0.884 1.00 0.00 H new ATOM 98 N GLU A 269 18.424 -4.465 -4.800 1.00 0.00 N ATOM 99 CA GLU A 269 17.693 -4.331 -6.054 1.00 0.00 C ATOM 100 C GLU A 269 17.741 -2.892 -6.558 1.00 0.00 C ATOM 101 O GLU A 269 16.712 -2.225 -6.665 1.00 0.00 O ATOM 102 CB GLU A 269 16.238 -4.771 -5.873 1.00 0.00 C ATOM 103 CG GLU A 269 15.622 -4.313 -4.562 1.00 0.00 C ATOM 104 CD GLU A 269 14.257 -3.680 -4.752 1.00 0.00 C ATOM 105 OE1 GLU A 269 13.752 -3.688 -5.894 1.00 0.00 O ATOM 106 OE2 GLU A 269 13.692 -3.177 -3.758 1.00 0.00 O ATOM 0 H GLU A 269 18.930 -3.626 -4.516 1.00 0.00 H new ATOM 0 HA GLU A 269 18.169 -4.975 -6.794 1.00 0.00 H new ATOM 0 HB2 GLU A 269 15.644 -4.381 -6.700 1.00 0.00 H new ATOM 0 HB3 GLU A 269 16.187 -5.858 -5.929 1.00 0.00 H new ATOM 0 HG2 GLU A 269 15.533 -5.165 -3.889 1.00 0.00 H new ATOM 0 HG3 GLU A 269 16.288 -3.596 -4.082 1.00 0.00 H new ATOM 113 N PHE A 270 18.945 -2.419 -6.864 1.00 0.00 N ATOM 114 CA PHE A 270 19.129 -1.059 -7.354 1.00 0.00 C ATOM 115 C PHE A 270 20.604 -0.765 -7.610 1.00 0.00 C ATOM 116 O PHE A 270 20.947 -0.007 -8.517 1.00 0.00 O ATOM 117 CB PHE A 270 18.565 -0.053 -6.351 1.00 0.00 C ATOM 118 CG PHE A 270 17.526 0.860 -6.937 1.00 0.00 C ATOM 119 CD1 PHE A 270 17.842 1.704 -7.990 1.00 0.00 C ATOM 120 CD2 PHE A 270 16.236 0.876 -6.433 1.00 0.00 C ATOM 121 CE1 PHE A 270 16.888 2.546 -8.530 1.00 0.00 C ATOM 122 CE2 PHE A 270 15.278 1.716 -6.969 1.00 0.00 C ATOM 123 CZ PHE A 270 15.605 2.552 -8.019 1.00 0.00 C ATOM 0 H PHE A 270 19.807 -2.958 -6.781 1.00 0.00 H new ATOM 0 HA PHE A 270 18.590 -0.965 -8.297 1.00 0.00 H new ATOM 0 HB2 PHE A 270 18.129 -0.595 -5.511 1.00 0.00 H new ATOM 0 HB3 PHE A 270 19.382 0.548 -5.953 1.00 0.00 H new ATOM 0 HD1 PHE A 270 18.844 1.704 -8.393 1.00 0.00 H new ATOM 0 HD2 PHE A 270 15.976 0.225 -5.612 1.00 0.00 H new ATOM 0 HE1 PHE A 270 17.146 3.199 -9.351 1.00 0.00 H new ATOM 0 HE2 PHE A 270 14.275 1.719 -6.568 1.00 0.00 H new ATOM 0 HZ PHE A 270 14.858 3.209 -8.440 1.00 0.00 H new ATOM 133 N GLY A 271 21.472 -1.370 -6.804 1.00 0.00 N ATOM 134 CA GLY A 271 22.899 -1.159 -6.961 1.00 0.00 C ATOM 135 C GLY A 271 23.722 -2.152 -6.165 1.00 0.00 C ATOM 136 O GLY A 271 24.710 -1.781 -5.530 1.00 0.00 O ATOM 0 H GLY A 271 21.212 -2.002 -6.046 1.00 0.00 H new ATOM 0 HA2 GLY A 271 23.161 -1.238 -8.016 1.00 0.00 H new ATOM 0 HA3 GLY A 271 23.151 -0.147 -6.645 1.00 0.00 H new ATOM 140 N ARG A 272 23.316 -3.417 -6.198 1.00 0.00 N ATOM 141 CA ARG A 272 24.024 -4.467 -5.475 1.00 0.00 C ATOM 142 C ARG A 272 25.529 -4.223 -5.495 1.00 0.00 C ATOM 143 O ARG A 272 26.214 -4.413 -4.490 1.00 0.00 O ATOM 144 CB ARG A 272 23.709 -5.835 -6.081 1.00 0.00 C ATOM 145 CG ARG A 272 24.720 -6.908 -5.712 1.00 0.00 C ATOM 146 CD ARG A 272 24.591 -7.316 -4.254 1.00 0.00 C ATOM 147 NE ARG A 272 25.172 -8.630 -3.999 1.00 0.00 N ATOM 148 CZ ARG A 272 26.471 -8.837 -3.812 1.00 0.00 C ATOM 149 NH1 ARG A 272 27.320 -7.819 -3.857 1.00 0.00 N ATOM 150 NH2 ARG A 272 26.922 -10.061 -3.580 1.00 0.00 N ATOM 0 H ARG A 272 22.500 -3.740 -6.718 1.00 0.00 H new ATOM 0 HA ARG A 272 23.686 -4.450 -4.439 1.00 0.00 H new ATOM 0 HB2 ARG A 272 22.719 -6.151 -5.751 1.00 0.00 H new ATOM 0 HB3 ARG A 272 23.669 -5.742 -7.166 1.00 0.00 H new ATOM 0 HG2 ARG A 272 24.575 -7.780 -6.349 1.00 0.00 H new ATOM 0 HG3 ARG A 272 25.728 -6.539 -5.900 1.00 0.00 H new ATOM 0 HD2 ARG A 272 25.083 -6.574 -3.625 1.00 0.00 H new ATOM 0 HD3 ARG A 272 23.538 -7.325 -3.972 1.00 0.00 H new ATOM 0 HE ARG A 272 24.546 -9.434 -3.962 1.00 0.00 H new ATOM 0 HH11 ARG A 272 26.976 -6.875 -4.035 1.00 0.00 H new ATOM 0 HH12 ARG A 272 28.317 -7.980 -3.713 1.00 0.00 H new ATOM 0 HH21 ARG A 272 26.272 -10.846 -3.545 1.00 0.00 H new ATOM 0 HH22 ARG A 272 27.920 -10.218 -3.437 1.00 0.00 H new ATOM 164 N THR A 273 26.038 -3.799 -6.648 1.00 0.00 N ATOM 165 CA THR A 273 27.462 -3.528 -6.800 1.00 0.00 C ATOM 166 C THR A 273 27.865 -2.287 -6.011 1.00 0.00 C ATOM 167 O THR A 273 28.796 -2.325 -5.206 1.00 0.00 O ATOM 168 CB THR A 273 27.813 -3.343 -8.277 1.00 0.00 C ATOM 169 OG1 THR A 273 27.045 -4.214 -9.087 1.00 0.00 O ATOM 170 CG2 THR A 273 29.273 -3.598 -8.582 1.00 0.00 C ATOM 0 H THR A 273 25.485 -3.636 -7.490 1.00 0.00 H new ATOM 0 HA THR A 273 28.013 -4.382 -6.407 1.00 0.00 H new ATOM 0 HB THR A 273 27.590 -2.299 -8.499 1.00 0.00 H new ATOM 0 HG1 THR A 273 27.282 -4.080 -10.028 1.00 0.00 H new ATOM 0 HG21 THR A 273 29.454 -3.449 -9.647 1.00 0.00 H new ATOM 0 HG22 THR A 273 29.891 -2.906 -8.009 1.00 0.00 H new ATOM 0 HG23 THR A 273 29.528 -4.622 -8.310 1.00 0.00 H new ATOM 178 N GLY A 274 27.156 -1.189 -6.247 1.00 0.00 N ATOM 179 CA GLY A 274 27.450 0.049 -5.551 1.00 0.00 C ATOM 180 C GLY A 274 26.408 0.382 -4.502 1.00 0.00 C ATOM 181 O GLY A 274 25.763 1.428 -4.570 1.00 0.00 O ATOM 0 H GLY A 274 26.382 -1.134 -6.909 1.00 0.00 H new ATOM 0 HA2 GLY A 274 28.428 -0.027 -5.076 1.00 0.00 H new ATOM 0 HA3 GLY A 274 27.509 0.864 -6.273 1.00 0.00 H new ATOM 185 N LEU A 275 26.243 -0.509 -3.531 1.00 0.00 N ATOM 186 CA LEU A 275 25.270 -0.306 -2.465 1.00 0.00 C ATOM 187 C LEU A 275 25.964 -0.128 -1.118 1.00 0.00 C ATOM 188 O LEU A 275 26.248 -1.100 -0.419 1.00 0.00 O ATOM 189 CB LEU A 275 24.300 -1.488 -2.399 1.00 0.00 C ATOM 190 CG LEU A 275 22.825 -1.125 -2.575 1.00 0.00 C ATOM 191 CD1 LEU A 275 22.064 -2.279 -3.210 1.00 0.00 C ATOM 192 CD2 LEU A 275 22.209 -0.749 -1.236 1.00 0.00 C ATOM 0 H LEU A 275 26.771 -1.379 -3.460 1.00 0.00 H new ATOM 0 HA LEU A 275 24.711 0.603 -2.688 1.00 0.00 H new ATOM 0 HB2 LEU A 275 24.576 -2.208 -3.169 1.00 0.00 H new ATOM 0 HB3 LEU A 275 24.424 -1.987 -1.438 1.00 0.00 H new ATOM 0 HG LEU A 275 22.757 -0.264 -3.240 1.00 0.00 H new ATOM 0 HD11 LEU A 275 21.016 -2.003 -3.328 1.00 0.00 H new ATOM 0 HD12 LEU A 275 22.492 -2.503 -4.187 1.00 0.00 H new ATOM 0 HD13 LEU A 275 22.138 -3.159 -2.571 1.00 0.00 H new ATOM 0 HD21 LEU A 275 21.159 -0.493 -1.378 1.00 0.00 H new ATOM 0 HD22 LEU A 275 22.288 -1.592 -0.550 1.00 0.00 H new ATOM 0 HD23 LEU A 275 22.738 0.108 -0.820 1.00 0.00 H new ATOM 204 N PRO A 276 26.243 1.128 -0.739 1.00 0.00 N ATOM 205 CA PRO A 276 26.900 1.449 0.520 1.00 0.00 C ATOM 206 C PRO A 276 25.908 1.601 1.669 1.00 0.00 C ATOM 207 O PRO A 276 25.631 0.641 2.384 1.00 0.00 O ATOM 208 CB PRO A 276 27.586 2.778 0.214 1.00 0.00 C ATOM 209 CG PRO A 276 26.753 3.423 -0.850 1.00 0.00 C ATOM 210 CD PRO A 276 25.936 2.337 -1.514 1.00 0.00 C ATOM 0 HA PRO A 276 27.583 0.664 0.847 1.00 0.00 H new ATOM 0 HB2 PRO A 276 27.641 3.405 1.104 1.00 0.00 H new ATOM 0 HB3 PRO A 276 28.609 2.622 -0.129 1.00 0.00 H new ATOM 0 HG2 PRO A 276 26.101 4.182 -0.418 1.00 0.00 H new ATOM 0 HG3 PRO A 276 27.387 3.926 -1.580 1.00 0.00 H new ATOM 0 HD2 PRO A 276 24.871 2.567 -1.487 1.00 0.00 H new ATOM 0 HD3 PRO A 276 26.210 2.218 -2.562 1.00 0.00 H new ATOM 218 N ASP A 277 25.367 2.809 1.826 1.00 0.00 N ATOM 219 CA ASP A 277 24.399 3.101 2.867 1.00 0.00 C ATOM 220 C ASP A 277 25.056 3.184 4.239 1.00 0.00 C ATOM 221 O ASP A 277 25.231 4.271 4.790 1.00 0.00 O ATOM 222 CB ASP A 277 23.294 2.055 2.866 1.00 0.00 C ATOM 223 CG ASP A 277 23.132 1.377 1.519 1.00 0.00 C ATOM 224 OD1 ASP A 277 23.307 2.057 0.487 1.00 0.00 O ATOM 225 OD2 ASP A 277 22.830 0.165 1.498 1.00 0.00 O ATOM 0 H ASP A 277 25.591 3.608 1.233 1.00 0.00 H new ATOM 0 HA ASP A 277 23.964 4.077 2.653 1.00 0.00 H new ATOM 0 HB2 ASP A 277 23.511 1.302 3.624 1.00 0.00 H new ATOM 0 HB3 ASP A 277 22.352 2.527 3.146 1.00 0.00 H new ATOM 230 N LEU A 278 25.411 2.031 4.784 1.00 0.00 N ATOM 231 CA LEU A 278 26.051 1.956 6.093 1.00 0.00 C ATOM 232 C LEU A 278 25.024 1.972 7.226 1.00 0.00 C ATOM 233 O LEU A 278 25.282 1.464 8.317 1.00 0.00 O ATOM 234 CB LEU A 278 27.030 3.113 6.264 1.00 0.00 C ATOM 235 CG LEU A 278 28.423 2.710 6.734 1.00 0.00 C ATOM 236 CD1 LEU A 278 29.444 3.731 6.271 1.00 0.00 C ATOM 237 CD2 LEU A 278 28.452 2.562 8.246 1.00 0.00 C ATOM 0 H LEU A 278 25.266 1.126 4.337 1.00 0.00 H new ATOM 0 HA LEU A 278 26.591 1.010 6.144 1.00 0.00 H new ATOM 0 HB2 LEU A 278 27.121 3.637 5.312 1.00 0.00 H new ATOM 0 HB3 LEU A 278 26.612 3.821 6.979 1.00 0.00 H new ATOM 0 HG LEU A 278 28.677 1.745 6.296 1.00 0.00 H new ATOM 0 HD11 LEU A 278 30.436 3.434 6.612 1.00 0.00 H new ATOM 0 HD12 LEU A 278 29.436 3.786 5.182 1.00 0.00 H new ATOM 0 HD13 LEU A 278 29.195 4.708 6.686 1.00 0.00 H new ATOM 0 HD21 LEU A 278 29.454 2.274 8.564 1.00 0.00 H new ATOM 0 HD22 LEU A 278 28.183 3.511 8.710 1.00 0.00 H new ATOM 0 HD23 LEU A 278 27.740 1.795 8.550 1.00 0.00 H new ATOM 249 N SER A 279 23.864 2.564 6.964 1.00 0.00 N ATOM 250 CA SER A 279 22.803 2.652 7.961 1.00 0.00 C ATOM 251 C SER A 279 22.553 1.304 8.634 1.00 0.00 C ATOM 252 O SER A 279 22.009 1.248 9.737 1.00 0.00 O ATOM 253 CB SER A 279 21.512 3.153 7.312 1.00 0.00 C ATOM 254 OG SER A 279 21.222 2.431 6.128 1.00 0.00 O ATOM 0 H SER A 279 23.634 2.991 6.067 1.00 0.00 H new ATOM 0 HA SER A 279 23.125 3.358 8.727 1.00 0.00 H new ATOM 0 HB2 SER A 279 20.685 3.052 8.015 1.00 0.00 H new ATOM 0 HB3 SER A 279 21.606 4.214 7.081 1.00 0.00 H new ATOM 0 HG SER A 279 20.391 2.770 5.734 1.00 0.00 H new ATOM 260 N SER A 280 22.942 0.221 7.968 1.00 0.00 N ATOM 261 CA SER A 280 22.742 -1.117 8.516 1.00 0.00 C ATOM 262 C SER A 280 23.848 -2.079 8.085 1.00 0.00 C ATOM 263 O SER A 280 23.642 -3.293 8.048 1.00 0.00 O ATOM 264 CB SER A 280 21.380 -1.665 8.084 1.00 0.00 C ATOM 265 OG SER A 280 20.609 -2.059 9.206 1.00 0.00 O ATOM 0 H SER A 280 23.395 0.242 7.054 1.00 0.00 H new ATOM 0 HA SER A 280 22.776 -1.035 9.602 1.00 0.00 H new ATOM 0 HB2 SER A 280 20.842 -0.905 7.518 1.00 0.00 H new ATOM 0 HB3 SER A 280 21.522 -2.517 7.419 1.00 0.00 H new ATOM 0 HG SER A 280 19.743 -2.404 8.903 1.00 0.00 H new ATOM 271 N MET A 281 25.020 -1.540 7.770 1.00 0.00 N ATOM 272 CA MET A 281 26.152 -2.364 7.357 1.00 0.00 C ATOM 273 C MET A 281 27.296 -2.236 8.357 1.00 0.00 C ATOM 274 O MET A 281 28.074 -3.168 8.548 1.00 0.00 O ATOM 275 CB MET A 281 26.631 -1.960 5.963 1.00 0.00 C ATOM 276 CG MET A 281 25.914 -2.688 4.840 1.00 0.00 C ATOM 277 SD MET A 281 24.883 -1.593 3.848 1.00 0.00 S ATOM 278 CE MET A 281 23.917 -0.794 5.127 1.00 0.00 C ATOM 0 H MET A 281 25.212 -0.538 7.792 1.00 0.00 H new ATOM 0 HA MET A 281 25.824 -3.403 7.327 1.00 0.00 H new ATOM 0 HB2 MET A 281 26.491 -0.886 5.837 1.00 0.00 H new ATOM 0 HB3 MET A 281 27.701 -2.153 5.885 1.00 0.00 H new ATOM 0 HG2 MET A 281 26.650 -3.169 4.196 1.00 0.00 H new ATOM 0 HG3 MET A 281 25.295 -3.479 5.263 1.00 0.00 H new ATOM 0 HE1 MET A 281 23.203 -0.109 4.669 1.00 0.00 H new ATOM 0 HE2 MET A 281 23.379 -1.548 5.702 1.00 0.00 H new ATOM 0 HE3 MET A 281 24.580 -0.237 5.789 1.00 0.00 H new ATOM 288 N THR A 282 27.370 -1.070 8.990 1.00 0.00 N ATOM 289 CA THR A 282 28.397 -0.773 9.991 1.00 0.00 C ATOM 290 C THR A 282 29.635 -1.654 9.837 1.00 0.00 C ATOM 291 O THR A 282 30.558 -1.314 9.107 1.00 0.00 O ATOM 292 CB THR A 282 27.819 -0.933 11.398 1.00 0.00 C ATOM 293 OG1 THR A 282 28.837 -1.270 12.323 1.00 0.00 O ATOM 294 CG2 THR A 282 26.746 -1.995 11.488 1.00 0.00 C ATOM 0 H THR A 282 26.720 -0.301 8.826 1.00 0.00 H new ATOM 0 HA THR A 282 28.710 0.259 9.833 1.00 0.00 H new ATOM 0 HB THR A 282 27.372 0.032 11.637 1.00 0.00 H new ATOM 0 HG1 THR A 282 28.448 -1.366 13.217 1.00 0.00 H new ATOM 0 HG21 THR A 282 26.380 -2.056 12.513 1.00 0.00 H new ATOM 0 HG22 THR A 282 25.922 -1.737 10.823 1.00 0.00 H new ATOM 0 HG23 THR A 282 27.162 -2.958 11.193 1.00 0.00 H new ATOM 302 N GLU A 283 29.652 -2.778 10.546 1.00 0.00 N ATOM 303 CA GLU A 283 30.781 -3.702 10.511 1.00 0.00 C ATOM 304 C GLU A 283 31.171 -4.077 9.087 1.00 0.00 C ATOM 305 O GLU A 283 32.310 -3.874 8.678 1.00 0.00 O ATOM 306 CB GLU A 283 30.449 -4.967 11.305 1.00 0.00 C ATOM 307 CG GLU A 283 29.639 -4.701 12.564 1.00 0.00 C ATOM 308 CD GLU A 283 30.241 -5.354 13.793 1.00 0.00 C ATOM 309 OE1 GLU A 283 30.840 -6.442 13.655 1.00 0.00 O ATOM 310 OE2 GLU A 283 30.115 -4.776 14.894 1.00 0.00 O ATOM 0 H GLU A 283 28.890 -3.073 11.157 1.00 0.00 H new ATOM 0 HA GLU A 283 31.631 -3.193 10.965 1.00 0.00 H new ATOM 0 HB2 GLU A 283 29.894 -5.653 10.664 1.00 0.00 H new ATOM 0 HB3 GLU A 283 31.377 -5.468 11.579 1.00 0.00 H new ATOM 0 HG2 GLU A 283 29.569 -3.625 12.726 1.00 0.00 H new ATOM 0 HG3 GLU A 283 28.623 -5.069 12.422 1.00 0.00 H new ATOM 317 N GLU A 284 30.230 -4.647 8.345 1.00 0.00 N ATOM 318 CA GLU A 284 30.490 -5.072 6.972 1.00 0.00 C ATOM 319 C GLU A 284 30.843 -3.896 6.061 1.00 0.00 C ATOM 320 O GLU A 284 31.549 -4.065 5.068 1.00 0.00 O ATOM 321 CB GLU A 284 29.276 -5.814 6.410 1.00 0.00 C ATOM 322 CG GLU A 284 28.120 -4.899 6.043 1.00 0.00 C ATOM 323 CD GLU A 284 27.191 -5.515 5.016 1.00 0.00 C ATOM 324 OE1 GLU A 284 27.626 -5.704 3.860 1.00 0.00 O ATOM 325 OE2 GLU A 284 26.029 -5.809 5.367 1.00 0.00 O ATOM 0 H GLU A 284 29.280 -4.826 8.669 1.00 0.00 H new ATOM 0 HA GLU A 284 31.351 -5.740 6.999 1.00 0.00 H new ATOM 0 HB2 GLU A 284 29.580 -6.374 5.526 1.00 0.00 H new ATOM 0 HB3 GLU A 284 28.933 -6.542 7.145 1.00 0.00 H new ATOM 0 HG2 GLU A 284 27.553 -4.658 6.942 1.00 0.00 H new ATOM 0 HG3 GLU A 284 28.514 -3.960 5.654 1.00 0.00 H new ATOM 332 N GLU A 285 30.339 -2.711 6.390 1.00 0.00 N ATOM 333 CA GLU A 285 30.597 -1.522 5.581 1.00 0.00 C ATOM 334 C GLU A 285 31.997 -0.962 5.818 1.00 0.00 C ATOM 335 O GLU A 285 32.589 -0.371 4.921 1.00 0.00 O ATOM 336 CB GLU A 285 29.555 -0.439 5.873 1.00 0.00 C ATOM 337 CG GLU A 285 28.879 0.111 4.625 1.00 0.00 C ATOM 338 CD GLU A 285 28.568 -0.961 3.598 1.00 0.00 C ATOM 339 OE1 GLU A 285 28.528 -2.151 3.973 1.00 0.00 O ATOM 340 OE2 GLU A 285 28.367 -0.610 2.416 1.00 0.00 O ATOM 0 H GLU A 285 29.752 -2.547 7.208 1.00 0.00 H new ATOM 0 HA GLU A 285 30.527 -1.825 4.536 1.00 0.00 H new ATOM 0 HB2 GLU A 285 28.794 -0.849 6.537 1.00 0.00 H new ATOM 0 HB3 GLU A 285 30.036 0.381 6.407 1.00 0.00 H new ATOM 0 HG2 GLU A 285 27.954 0.612 4.910 1.00 0.00 H new ATOM 0 HG3 GLU A 285 29.523 0.865 4.172 1.00 0.00 H new ATOM 347 N GLN A 286 32.523 -1.142 7.023 1.00 0.00 N ATOM 348 CA GLN A 286 33.854 -0.640 7.355 1.00 0.00 C ATOM 349 C GLN A 286 34.907 -1.698 7.061 1.00 0.00 C ATOM 350 O GLN A 286 36.072 -1.385 6.810 1.00 0.00 O ATOM 351 CB GLN A 286 33.914 -0.218 8.825 1.00 0.00 C ATOM 352 CG GLN A 286 32.574 0.247 9.374 1.00 0.00 C ATOM 353 CD GLN A 286 32.616 1.661 9.917 1.00 0.00 C ATOM 354 OE1 GLN A 286 33.657 2.137 10.366 1.00 0.00 O ATOM 355 NE2 GLN A 286 31.473 2.336 9.876 1.00 0.00 N ATOM 0 H GLN A 286 32.052 -1.630 7.785 1.00 0.00 H new ATOM 0 HA GLN A 286 34.060 0.234 6.737 1.00 0.00 H new ATOM 0 HB2 GLN A 286 34.272 -1.057 9.422 1.00 0.00 H new ATOM 0 HB3 GLN A 286 34.642 0.585 8.935 1.00 0.00 H new ATOM 0 HG2 GLN A 286 31.824 0.189 8.585 1.00 0.00 H new ATOM 0 HG3 GLN A 286 32.257 -0.431 10.166 1.00 0.00 H new ATOM 0 HE21 GLN A 286 30.635 1.897 9.494 1.00 0.00 H new ATOM 0 HE22 GLN A 286 31.433 3.293 10.227 1.00 0.00 H new ATOM 364 N ILE A 287 34.476 -2.952 7.051 1.00 0.00 N ATOM 365 CA ILE A 287 35.362 -4.059 6.748 1.00 0.00 C ATOM 366 C ILE A 287 35.494 -4.156 5.249 1.00 0.00 C ATOM 367 O ILE A 287 36.562 -4.440 4.707 1.00 0.00 O ATOM 368 CB ILE A 287 34.821 -5.384 7.301 1.00 0.00 C ATOM 369 CG1 ILE A 287 33.534 -5.770 6.589 1.00 0.00 C ATOM 370 CG2 ILE A 287 34.600 -5.283 8.799 1.00 0.00 C ATOM 371 CD1 ILE A 287 33.749 -6.358 5.211 1.00 0.00 C ATOM 0 H ILE A 287 33.514 -3.225 7.251 1.00 0.00 H new ATOM 0 HA ILE A 287 36.329 -3.878 7.217 1.00 0.00 H new ATOM 0 HB ILE A 287 35.559 -6.165 7.118 1.00 0.00 H new ATOM 0 HG12 ILE A 287 32.994 -6.492 7.201 1.00 0.00 H new ATOM 0 HG13 ILE A 287 32.900 -4.888 6.502 1.00 0.00 H new ATOM 0 HG21 ILE A 287 34.216 -6.231 9.175 1.00 0.00 H new ATOM 0 HG22 ILE A 287 35.545 -5.053 9.291 1.00 0.00 H new ATOM 0 HG23 ILE A 287 33.880 -4.492 9.008 1.00 0.00 H new ATOM 0 HD11 ILE A 287 32.785 -6.608 4.768 1.00 0.00 H new ATOM 0 HD12 ILE A 287 34.261 -5.631 4.581 1.00 0.00 H new ATOM 0 HD13 ILE A 287 34.356 -7.260 5.291 1.00 0.00 H new ATOM 383 N ALA A 288 34.386 -3.857 4.591 1.00 0.00 N ATOM 384 CA ALA A 288 34.330 -3.839 3.154 1.00 0.00 C ATOM 385 C ALA A 288 35.096 -2.622 2.679 1.00 0.00 C ATOM 386 O ALA A 288 35.992 -2.705 1.846 1.00 0.00 O ATOM 387 CB ALA A 288 32.882 -3.793 2.686 1.00 0.00 C ATOM 0 H ALA A 288 33.504 -3.621 5.046 1.00 0.00 H new ATOM 0 HA ALA A 288 34.777 -4.742 2.738 1.00 0.00 H new ATOM 0 HB1 ALA A 288 32.852 -3.780 1.596 1.00 0.00 H new ATOM 0 HB2 ALA A 288 32.353 -4.673 3.053 1.00 0.00 H new ATOM 0 HB3 ALA A 288 32.403 -2.894 3.073 1.00 0.00 H new ATOM 393 N TYR A 289 34.776 -1.484 3.265 1.00 0.00 N ATOM 394 CA TYR A 289 35.480 -0.267 2.921 1.00 0.00 C ATOM 395 C TYR A 289 36.968 -0.489 3.130 1.00 0.00 C ATOM 396 O TYR A 289 37.803 0.070 2.421 1.00 0.00 O ATOM 397 CB TYR A 289 34.992 0.897 3.770 1.00 0.00 C ATOM 398 CG TYR A 289 33.610 1.382 3.400 1.00 0.00 C ATOM 399 CD1 TYR A 289 32.878 0.753 2.401 1.00 0.00 C ATOM 400 CD2 TYR A 289 33.035 2.463 4.056 1.00 0.00 C ATOM 401 CE1 TYR A 289 31.610 1.189 2.067 1.00 0.00 C ATOM 402 CE2 TYR A 289 31.769 2.904 3.726 1.00 0.00 C ATOM 403 CZ TYR A 289 31.060 2.264 2.731 1.00 0.00 C ATOM 404 OH TYR A 289 29.798 2.701 2.402 1.00 0.00 O ATOM 0 H TYR A 289 34.046 -1.378 3.969 1.00 0.00 H new ATOM 0 HA TYR A 289 35.287 -0.019 1.877 1.00 0.00 H new ATOM 0 HB2 TYR A 289 34.993 0.596 4.818 1.00 0.00 H new ATOM 0 HB3 TYR A 289 35.695 1.724 3.675 1.00 0.00 H new ATOM 0 HD1 TYR A 289 33.306 -0.089 1.878 1.00 0.00 H new ATOM 0 HD2 TYR A 289 33.587 2.966 4.836 1.00 0.00 H new ATOM 0 HE1 TYR A 289 31.052 0.689 1.289 1.00 0.00 H new ATOM 0 HE2 TYR A 289 31.336 3.746 4.245 1.00 0.00 H new ATOM 0 HH TYR A 289 29.560 3.467 2.965 1.00 0.00 H new ATOM 414 N ALA A 290 37.286 -1.338 4.107 1.00 0.00 N ATOM 415 CA ALA A 290 38.666 -1.670 4.412 1.00 0.00 C ATOM 416 C ALA A 290 39.309 -2.400 3.239 1.00 0.00 C ATOM 417 O ALA A 290 40.417 -2.065 2.822 1.00 0.00 O ATOM 418 CB ALA A 290 38.741 -2.518 5.674 1.00 0.00 C ATOM 0 H ALA A 290 36.600 -1.806 4.699 1.00 0.00 H new ATOM 0 HA ALA A 290 39.215 -0.745 4.585 1.00 0.00 H new ATOM 0 HB1 ALA A 290 39.782 -2.759 5.889 1.00 0.00 H new ATOM 0 HB2 ALA A 290 38.316 -1.963 6.511 1.00 0.00 H new ATOM 0 HB3 ALA A 290 38.178 -3.440 5.527 1.00 0.00 H new ATOM 424 N MET A 291 38.603 -3.398 2.701 1.00 0.00 N ATOM 425 CA MET A 291 39.124 -4.156 1.564 1.00 0.00 C ATOM 426 C MET A 291 39.135 -3.296 0.305 1.00 0.00 C ATOM 427 O MET A 291 39.837 -3.596 -0.661 1.00 0.00 O ATOM 428 CB MET A 291 38.309 -5.436 1.323 1.00 0.00 C ATOM 429 CG MET A 291 36.817 -5.210 1.122 1.00 0.00 C ATOM 430 SD MET A 291 36.433 -4.300 -0.394 1.00 0.00 S ATOM 431 CE MET A 291 34.778 -3.696 -0.048 1.00 0.00 C ATOM 0 H MET A 291 37.684 -3.695 3.029 1.00 0.00 H new ATOM 0 HA MET A 291 40.147 -4.446 1.803 1.00 0.00 H new ATOM 0 HB2 MET A 291 38.707 -5.945 0.445 1.00 0.00 H new ATOM 0 HB3 MET A 291 38.450 -6.106 2.171 1.00 0.00 H new ATOM 0 HG2 MET A 291 36.310 -6.175 1.098 1.00 0.00 H new ATOM 0 HG3 MET A 291 36.420 -4.663 1.977 1.00 0.00 H new ATOM 0 HE1 MET A 291 34.188 -3.706 -0.964 1.00 0.00 H new ATOM 0 HE2 MET A 291 34.305 -4.337 0.696 1.00 0.00 H new ATOM 0 HE3 MET A 291 34.835 -2.677 0.335 1.00 0.00 H new ATOM 441 N GLN A 292 38.354 -2.221 0.328 1.00 0.00 N ATOM 442 CA GLN A 292 38.270 -1.307 -0.805 1.00 0.00 C ATOM 443 C GLN A 292 39.559 -0.506 -0.945 1.00 0.00 C ATOM 444 O GLN A 292 40.190 -0.504 -2.002 1.00 0.00 O ATOM 445 CB GLN A 292 37.082 -0.360 -0.635 1.00 0.00 C ATOM 446 CG GLN A 292 37.070 0.787 -1.631 1.00 0.00 C ATOM 447 CD GLN A 292 36.420 0.409 -2.948 1.00 0.00 C ATOM 448 OE1 GLN A 292 35.196 0.353 -3.056 1.00 0.00 O ATOM 449 NE2 GLN A 292 37.241 0.146 -3.958 1.00 0.00 N ATOM 0 H GLN A 292 37.768 -1.961 1.122 1.00 0.00 H new ATOM 0 HA GLN A 292 38.126 -1.896 -1.711 1.00 0.00 H new ATOM 0 HB2 GLN A 292 36.158 -0.928 -0.737 1.00 0.00 H new ATOM 0 HB3 GLN A 292 37.095 0.048 0.376 1.00 0.00 H new ATOM 0 HG2 GLN A 292 36.538 1.634 -1.198 1.00 0.00 H new ATOM 0 HG3 GLN A 292 38.093 1.114 -1.816 1.00 0.00 H new ATOM 0 HE21 GLN A 292 38.250 0.205 -3.823 1.00 0.00 H new ATOM 0 HE22 GLN A 292 36.862 -0.115 -4.868 1.00 0.00 H new ATOM 458 N MET A 293 39.946 0.170 0.131 1.00 0.00 N ATOM 459 CA MET A 293 41.163 0.972 0.132 1.00 0.00 C ATOM 460 C MET A 293 42.393 0.078 0.030 1.00 0.00 C ATOM 461 O MET A 293 43.411 0.468 -0.542 1.00 0.00 O ATOM 462 CB MET A 293 41.237 1.820 1.401 1.00 0.00 C ATOM 463 CG MET A 293 41.584 1.020 2.647 1.00 0.00 C ATOM 464 SD MET A 293 42.001 2.070 4.053 1.00 0.00 S ATOM 465 CE MET A 293 40.760 1.557 5.238 1.00 0.00 C ATOM 0 H MET A 293 39.434 0.178 1.013 1.00 0.00 H new ATOM 0 HA MET A 293 41.140 1.633 -0.734 1.00 0.00 H new ATOM 0 HB2 MET A 293 41.983 2.603 1.262 1.00 0.00 H new ATOM 0 HB3 MET A 293 40.279 2.316 1.553 1.00 0.00 H new ATOM 0 HG2 MET A 293 40.740 0.383 2.912 1.00 0.00 H new ATOM 0 HG3 MET A 293 42.424 0.361 2.429 1.00 0.00 H new ATOM 0 HE1 MET A 293 40.818 2.191 6.123 1.00 0.00 H new ATOM 0 HE2 MET A 293 39.770 1.648 4.791 1.00 0.00 H new ATOM 0 HE3 MET A 293 40.935 0.520 5.523 1.00 0.00 H new ATOM 475 N SER A 294 42.290 -1.125 0.586 1.00 0.00 N ATOM 476 CA SER A 294 43.391 -2.078 0.556 1.00 0.00 C ATOM 477 C SER A 294 43.621 -2.592 -0.861 1.00 0.00 C ATOM 478 O SER A 294 44.753 -2.869 -1.256 1.00 0.00 O ATOM 479 CB SER A 294 43.105 -3.250 1.496 1.00 0.00 C ATOM 480 OG SER A 294 44.160 -4.195 1.473 1.00 0.00 O ATOM 0 H SER A 294 41.454 -1.462 1.063 1.00 0.00 H new ATOM 0 HA SER A 294 44.293 -1.566 0.891 1.00 0.00 H new ATOM 0 HB2 SER A 294 42.967 -2.880 2.512 1.00 0.00 H new ATOM 0 HB3 SER A 294 42.173 -3.734 1.204 1.00 0.00 H new ATOM 0 HG SER A 294 43.952 -4.933 2.084 1.00 0.00 H new ATOM 486 N LEU A 295 42.538 -2.714 -1.623 1.00 0.00 N ATOM 487 CA LEU A 295 42.623 -3.190 -2.999 1.00 0.00 C ATOM 488 C LEU A 295 43.280 -2.146 -3.897 1.00 0.00 C ATOM 489 O LEU A 295 43.649 -2.435 -5.035 1.00 0.00 O ATOM 490 CB LEU A 295 41.228 -3.532 -3.530 1.00 0.00 C ATOM 491 CG LEU A 295 41.207 -4.244 -4.882 1.00 0.00 C ATOM 492 CD1 LEU A 295 41.126 -3.234 -6.016 1.00 0.00 C ATOM 493 CD2 LEU A 295 42.437 -5.126 -5.038 1.00 0.00 C ATOM 0 H LEU A 295 41.593 -2.490 -1.311 1.00 0.00 H new ATOM 0 HA LEU A 295 43.238 -4.090 -3.008 1.00 0.00 H new ATOM 0 HB2 LEU A 295 40.721 -4.160 -2.798 1.00 0.00 H new ATOM 0 HB3 LEU A 295 40.651 -2.611 -3.613 1.00 0.00 H new ATOM 0 HG LEU A 295 40.321 -4.878 -4.924 1.00 0.00 H new ATOM 0 HD11 LEU A 295 41.112 -3.759 -6.971 1.00 0.00 H new ATOM 0 HD12 LEU A 295 40.215 -2.644 -5.913 1.00 0.00 H new ATOM 0 HD13 LEU A 295 41.992 -2.574 -5.978 1.00 0.00 H new ATOM 0 HD21 LEU A 295 42.406 -5.626 -6.006 1.00 0.00 H new ATOM 0 HD22 LEU A 295 43.335 -4.512 -4.975 1.00 0.00 H new ATOM 0 HD23 LEU A 295 42.452 -5.873 -4.245 1.00 0.00 H new ATOM 505 N GLN A 296 43.422 -0.931 -3.376 1.00 0.00 N ATOM 506 CA GLN A 296 44.033 0.156 -4.129 1.00 0.00 C ATOM 507 C GLN A 296 45.462 0.408 -3.657 1.00 0.00 C ATOM 508 O GLN A 296 46.313 0.848 -4.430 1.00 0.00 O ATOM 509 CB GLN A 296 43.205 1.434 -3.985 1.00 0.00 C ATOM 510 CG GLN A 296 42.402 1.782 -5.227 1.00 0.00 C ATOM 511 CD GLN A 296 40.960 1.323 -5.136 1.00 0.00 C ATOM 512 OE1 GLN A 296 40.536 0.764 -4.126 1.00 0.00 O ATOM 513 NE2 GLN A 296 40.197 1.558 -6.198 1.00 0.00 N ATOM 0 H GLN A 296 43.122 -0.676 -2.435 1.00 0.00 H new ATOM 0 HA GLN A 296 44.061 -0.134 -5.179 1.00 0.00 H new ATOM 0 HB2 GLN A 296 42.524 1.322 -3.142 1.00 0.00 H new ATOM 0 HB3 GLN A 296 43.871 2.264 -3.749 1.00 0.00 H new ATOM 0 HG2 GLN A 296 42.427 2.861 -5.381 1.00 0.00 H new ATOM 0 HG3 GLN A 296 42.871 1.325 -6.098 1.00 0.00 H new ATOM 0 HE21 GLN A 296 40.590 2.025 -7.015 1.00 0.00 H new ATOM 0 HE22 GLN A 296 39.218 1.272 -6.196 1.00 0.00 H new ATOM 522 N GLY A 297 45.717 0.126 -2.384 1.00 0.00 N ATOM 523 CA GLY A 297 47.044 0.328 -1.831 1.00 0.00 C ATOM 524 C GLY A 297 48.067 -0.623 -2.419 1.00 0.00 C ATOM 525 O GLY A 297 49.263 -0.328 -2.432 1.00 0.00 O ATOM 0 H GLY A 297 45.029 -0.239 -1.725 1.00 0.00 H new ATOM 0 HA2 GLY A 297 47.359 1.355 -2.016 1.00 0.00 H new ATOM 0 HA3 GLY A 297 47.008 0.195 -0.750 1.00 0.00 H new ATOM 529 N ALA A 298 47.599 -1.767 -2.906 1.00 0.00 N ATOM 530 CA ALA A 298 48.482 -2.763 -3.499 1.00 0.00 C ATOM 531 C ALA A 298 47.753 -4.085 -3.712 1.00 0.00 C ATOM 532 O ALA A 298 47.307 -4.388 -4.819 1.00 0.00 O ATOM 533 CB ALA A 298 49.707 -2.969 -2.620 1.00 0.00 C ATOM 0 H ALA A 298 46.613 -2.027 -2.901 1.00 0.00 H new ATOM 0 HA ALA A 298 48.804 -2.395 -4.473 1.00 0.00 H new ATOM 0 HB1 ALA A 298 50.359 -3.715 -3.074 1.00 0.00 H new ATOM 0 HB2 ALA A 298 50.247 -2.027 -2.522 1.00 0.00 H new ATOM 0 HB3 ALA A 298 49.394 -3.312 -1.634 1.00 0.00 H new ATOM 539 N GLU A 299 47.636 -4.869 -2.645 1.00 0.00 N ATOM 540 CA GLU A 299 46.961 -6.160 -2.716 1.00 0.00 C ATOM 541 C GLU A 299 47.295 -7.013 -1.497 1.00 0.00 C ATOM 542 O GLU A 299 48.312 -7.706 -1.471 1.00 0.00 O ATOM 543 CB GLU A 299 47.360 -6.899 -3.995 1.00 0.00 C ATOM 544 CG GLU A 299 47.020 -8.379 -3.974 1.00 0.00 C ATOM 545 CD GLU A 299 47.701 -9.149 -5.089 1.00 0.00 C ATOM 546 OE1 GLU A 299 48.259 -8.504 -6.000 1.00 0.00 O ATOM 547 OE2 GLU A 299 47.678 -10.397 -5.048 1.00 0.00 O ATOM 0 H GLU A 299 48.000 -4.633 -1.722 1.00 0.00 H new ATOM 0 HA GLU A 299 45.886 -5.981 -2.730 1.00 0.00 H new ATOM 0 HB2 GLU A 299 46.862 -6.432 -4.845 1.00 0.00 H new ATOM 0 HB3 GLU A 299 48.432 -6.783 -4.152 1.00 0.00 H new ATOM 0 HG2 GLU A 299 47.314 -8.802 -3.013 1.00 0.00 H new ATOM 0 HG3 GLU A 299 45.940 -8.501 -4.060 1.00 0.00 H new ATOM 554 N PHE A 300 46.432 -6.957 -0.488 1.00 0.00 N ATOM 555 CA PHE A 300 46.638 -7.723 0.735 1.00 0.00 C ATOM 556 C PHE A 300 47.848 -7.204 1.503 1.00 0.00 C ATOM 557 O PHE A 300 48.832 -7.919 1.690 1.00 0.00 O ATOM 558 CB PHE A 300 46.823 -9.206 0.409 1.00 0.00 C ATOM 559 CG PHE A 300 46.005 -9.671 -0.761 1.00 0.00 C ATOM 560 CD1 PHE A 300 44.747 -9.139 -0.998 1.00 0.00 C ATOM 561 CD2 PHE A 300 46.493 -10.639 -1.624 1.00 0.00 C ATOM 562 CE1 PHE A 300 43.992 -9.563 -2.075 1.00 0.00 C ATOM 563 CE2 PHE A 300 45.743 -11.067 -2.702 1.00 0.00 C ATOM 564 CZ PHE A 300 44.491 -10.529 -2.928 1.00 0.00 C ATOM 0 H PHE A 300 45.584 -6.390 -0.493 1.00 0.00 H new ATOM 0 HA PHE A 300 45.754 -7.605 1.362 1.00 0.00 H new ATOM 0 HB2 PHE A 300 47.877 -9.395 0.203 1.00 0.00 H new ATOM 0 HB3 PHE A 300 46.558 -9.798 1.285 1.00 0.00 H new ATOM 0 HD1 PHE A 300 44.353 -8.385 -0.333 1.00 0.00 H new ATOM 0 HD2 PHE A 300 47.471 -11.064 -1.452 1.00 0.00 H new ATOM 0 HE1 PHE A 300 43.014 -9.140 -2.250 1.00 0.00 H new ATOM 0 HE2 PHE A 300 46.135 -11.822 -3.368 1.00 0.00 H new ATOM 0 HZ PHE A 300 43.903 -10.863 -3.770 1.00 0.00 H new ATOM 574 N GLY A 301 47.770 -5.952 1.946 1.00 0.00 N ATOM 575 CA GLY A 301 48.866 -5.357 2.686 1.00 0.00 C ATOM 576 C GLY A 301 49.141 -6.074 3.993 1.00 0.00 C ATOM 577 O GLY A 301 50.296 -6.322 4.343 1.00 0.00 O ATOM 0 H GLY A 301 46.966 -5.340 1.805 1.00 0.00 H new ATOM 0 HA2 GLY A 301 49.766 -5.372 2.071 1.00 0.00 H new ATOM 0 HA3 GLY A 301 48.637 -4.311 2.890 1.00 0.00 H new ATOM 581 N GLN A 302 48.079 -6.408 4.717 1.00 0.00 N ATOM 582 CA GLN A 302 48.211 -7.100 5.993 1.00 0.00 C ATOM 583 C GLN A 302 47.391 -8.386 6.003 1.00 0.00 C ATOM 584 O GLN A 302 46.453 -8.530 6.786 1.00 0.00 O ATOM 585 CB GLN A 302 47.765 -6.189 7.138 1.00 0.00 C ATOM 586 CG GLN A 302 48.266 -4.760 7.008 1.00 0.00 C ATOM 587 CD GLN A 302 47.296 -3.747 7.584 1.00 0.00 C ATOM 588 OE1 GLN A 302 46.087 -3.839 7.372 1.00 0.00 O ATOM 589 NE2 GLN A 302 47.823 -2.773 8.316 1.00 0.00 N ATOM 0 H GLN A 302 47.117 -6.211 4.442 1.00 0.00 H new ATOM 0 HA GLN A 302 49.261 -7.359 6.130 1.00 0.00 H new ATOM 0 HB2 GLN A 302 46.676 -6.181 7.182 1.00 0.00 H new ATOM 0 HB3 GLN A 302 48.119 -6.605 8.081 1.00 0.00 H new ATOM 0 HG2 GLN A 302 49.226 -4.668 7.516 1.00 0.00 H new ATOM 0 HG3 GLN A 302 48.439 -4.534 5.956 1.00 0.00 H new ATOM 0 HE21 GLN A 302 48.831 -2.736 8.466 1.00 0.00 H new ATOM 0 HE22 GLN A 302 47.220 -2.062 8.729 1.00 0.00 H new ATOM 598 N ALA A 303 47.754 -9.318 5.128 1.00 0.00 N ATOM 599 CA ALA A 303 47.053 -10.593 5.036 1.00 0.00 C ATOM 600 C ALA A 303 48.012 -11.766 5.220 1.00 0.00 C ATOM 601 O ALA A 303 47.624 -12.925 5.075 1.00 0.00 O ATOM 602 CB ALA A 303 46.334 -10.703 3.701 1.00 0.00 C ATOM 0 H ALA A 303 48.529 -9.214 4.473 1.00 0.00 H new ATOM 0 HA ALA A 303 46.317 -10.632 5.839 1.00 0.00 H new ATOM 0 HB1 ALA A 303 45.815 -11.660 3.645 1.00 0.00 H new ATOM 0 HB2 ALA A 303 45.612 -9.892 3.609 1.00 0.00 H new ATOM 0 HB3 ALA A 303 47.060 -10.636 2.890 1.00 0.00 H new ATOM 608 N GLU A 304 49.265 -11.457 5.541 1.00 0.00 N ATOM 609 CA GLU A 304 50.277 -12.487 5.745 1.00 0.00 C ATOM 610 C GLU A 304 50.521 -12.721 7.232 1.00 0.00 C ATOM 611 O GLU A 304 50.435 -13.850 7.716 1.00 0.00 O ATOM 612 CB GLU A 304 51.586 -12.091 5.058 1.00 0.00 C ATOM 613 CG GLU A 304 52.727 -13.061 5.319 1.00 0.00 C ATOM 614 CD GLU A 304 53.835 -12.947 4.290 1.00 0.00 C ATOM 615 OE1 GLU A 304 54.766 -12.143 4.509 1.00 0.00 O ATOM 616 OE2 GLU A 304 53.772 -13.659 3.268 1.00 0.00 O ATOM 0 H GLU A 304 49.603 -10.503 5.665 1.00 0.00 H new ATOM 0 HA GLU A 304 49.910 -13.414 5.304 1.00 0.00 H new ATOM 0 HB2 GLU A 304 51.417 -12.023 3.983 1.00 0.00 H new ATOM 0 HB3 GLU A 304 51.879 -11.098 5.398 1.00 0.00 H new ATOM 0 HG2 GLU A 304 53.137 -12.875 6.312 1.00 0.00 H new ATOM 0 HG3 GLU A 304 52.340 -14.080 5.320 1.00 0.00 H new ATOM 623 N SER A 305 50.826 -11.646 7.954 1.00 0.00 N ATOM 624 CA SER A 305 51.082 -11.736 9.386 1.00 0.00 C ATOM 625 C SER A 305 49.918 -12.412 10.103 1.00 0.00 C ATOM 626 O SER A 305 50.119 -13.273 10.960 1.00 0.00 O ATOM 627 CB SER A 305 51.319 -10.343 9.973 1.00 0.00 C ATOM 628 OG SER A 305 51.581 -9.397 8.950 1.00 0.00 O ATOM 0 H SER A 305 50.902 -10.704 7.570 1.00 0.00 H new ATOM 0 HA SER A 305 51.977 -12.340 9.533 1.00 0.00 H new ATOM 0 HB2 SER A 305 50.445 -10.032 10.545 1.00 0.00 H new ATOM 0 HB3 SER A 305 52.159 -10.375 10.667 1.00 0.00 H new ATOM 0 HG SER A 305 51.727 -8.514 9.350 1.00 0.00 H new ATOM 634 N ALA A 306 48.700 -12.016 9.747 1.00 0.00 N ATOM 635 CA ALA A 306 47.503 -12.583 10.357 1.00 0.00 C ATOM 636 C ALA A 306 47.152 -11.864 11.653 1.00 0.00 C ATOM 637 O ALA A 306 46.033 -11.379 11.823 1.00 0.00 O ATOM 638 CB ALA A 306 47.696 -14.070 10.611 1.00 0.00 C ATOM 0 H ALA A 306 48.516 -11.305 9.039 1.00 0.00 H new ATOM 0 HA ALA A 306 46.673 -12.448 9.663 1.00 0.00 H new ATOM 0 HB1 ALA A 306 46.795 -14.481 11.067 1.00 0.00 H new ATOM 0 HB2 ALA A 306 47.889 -14.578 9.666 1.00 0.00 H new ATOM 0 HB3 ALA A 306 48.542 -14.218 11.282 1.00 0.00 H new ATOM 644 N ASP A 307 48.114 -11.798 12.567 1.00 0.00 N ATOM 645 CA ASP A 307 47.905 -11.137 13.850 1.00 0.00 C ATOM 646 C ASP A 307 48.798 -9.907 13.980 1.00 0.00 C ATOM 647 O ASP A 307 48.254 -8.804 14.198 1.00 0.00 O ATOM 648 CB ASP A 307 48.185 -12.108 14.999 1.00 0.00 C ATOM 649 CG ASP A 307 46.913 -12.692 15.582 1.00 0.00 C ATOM 650 OD1 ASP A 307 45.855 -12.036 15.480 1.00 0.00 O ATOM 651 OD2 ASP A 307 46.974 -13.807 16.142 1.00 0.00 O ATOM 652 OXT ASP A 307 50.032 -10.056 13.865 1.00 0.00 O ATOM 0 H ASP A 307 49.046 -12.194 12.443 1.00 0.00 H new ATOM 0 HA ASP A 307 46.865 -10.816 13.900 1.00 0.00 H new ATOM 0 HB2 ASP A 307 48.823 -12.916 14.641 1.00 0.00 H new ATOM 0 HB3 ASP A 307 48.737 -11.590 15.783 1.00 0.00 H new TER 657 ASP A 307