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 280 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 281 MET CE :methyl -165:sc= -9.09! (180deg=-9.78!) USER MOD Set 2.1: A 263 MET CE :methyl -122:sc= -0.332 (180deg=-1) USER MOD Set 2.2: A 268 GLN : amide:sc= -0.0387 X(o=-0.37,f=-0.53) USER MOD Single : A 264 THR OG1 : rot 180:sc= 0 USER MOD Single : A 266 SER OG : rot 180:sc= 0 USER MOD Single : A 267 GLN : amide:sc= -0.0436 K(o=-0.044,f=-0.72) USER MOD Single : A 273 THR OG1 : rot -70:sc= 1.12 USER MOD Single : A 279 SER OG : rot 180:sc= 0.0636 USER MOD Single : A 282 THR OG1 : rot 180:sc= -0.862! USER MOD Single : A 286 GLN : amide:sc= -3.41 K(o=-3.4,f=-8.8!) USER MOD Single : A 289 TYR OH : rot -30:sc= 0 USER MOD Single : A 291 MET CE :methyl -116:sc= -8.11! (180deg=-9.88!) USER MOD Single : A 292 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 293 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 294 SER OG : rot -89:sc= 0.386 USER MOD Single : A 296 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 302 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 305 SER OG : rot 180:sc= 0.0221 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 263 15.094 9.699 5.225 1.00 0.00 N ATOM 2 CA MET A 263 16.515 9.912 4.845 1.00 0.00 C ATOM 3 C MET A 263 16.688 11.201 4.050 1.00 0.00 C ATOM 4 O MET A 263 15.709 11.831 3.648 1.00 0.00 O ATOM 5 CB MET A 263 16.982 8.714 4.014 1.00 0.00 C ATOM 6 CG MET A 263 16.039 8.360 2.876 1.00 0.00 C ATOM 7 SD MET A 263 14.734 7.225 3.383 1.00 0.00 S ATOM 8 CE MET A 263 15.691 5.763 3.776 1.00 0.00 C ATOM 0 HA MET A 263 17.116 10.002 5.750 1.00 0.00 H new ATOM 0 HB2 MET A 263 17.969 8.929 3.604 1.00 0.00 H new ATOM 0 HB3 MET A 263 17.090 7.849 4.668 1.00 0.00 H new ATOM 0 HG2 MET A 263 15.590 9.273 2.485 1.00 0.00 H new ATOM 0 HG3 MET A 263 16.610 7.911 2.063 1.00 0.00 H new ATOM 0 HE1 MET A 263 15.347 4.928 3.166 1.00 0.00 H new ATOM 0 HE2 MET A 263 16.745 5.952 3.571 1.00 0.00 H new ATOM 0 HE3 MET A 263 15.565 5.518 4.831 1.00 0.00 H new ATOM 20 N THR A 264 17.939 11.591 3.826 1.00 0.00 N ATOM 21 CA THR A 264 18.240 12.806 3.079 1.00 0.00 C ATOM 22 C THR A 264 18.753 12.474 1.682 1.00 0.00 C ATOM 23 O THR A 264 19.856 12.871 1.304 1.00 0.00 O ATOM 24 CB THR A 264 19.274 13.647 3.828 1.00 0.00 C ATOM 25 OG1 THR A 264 19.302 13.302 5.203 1.00 0.00 O ATOM 26 CG2 THR A 264 19.018 15.135 3.733 1.00 0.00 C ATOM 0 H THR A 264 18.761 11.082 4.152 1.00 0.00 H new ATOM 0 HA THR A 264 17.318 13.379 2.980 1.00 0.00 H new ATOM 0 HB THR A 264 20.227 13.428 3.347 1.00 0.00 H new ATOM 0 HG1 THR A 264 19.971 13.850 5.664 1.00 0.00 H new ATOM 0 HG21 THR A 264 19.788 15.673 4.286 1.00 0.00 H new ATOM 0 HG22 THR A 264 19.041 15.442 2.687 1.00 0.00 H new ATOM 0 HG23 THR A 264 18.040 15.364 4.157 1.00 0.00 H new ATOM 34 N ILE A 265 17.946 11.746 0.918 1.00 0.00 N ATOM 35 CA ILE A 265 18.317 11.363 -0.439 1.00 0.00 C ATOM 36 C ILE A 265 17.251 10.473 -1.069 1.00 0.00 C ATOM 37 O ILE A 265 16.996 10.549 -2.270 1.00 0.00 O ATOM 38 CB ILE A 265 19.670 10.626 -0.466 1.00 0.00 C ATOM 39 CG1 ILE A 265 19.925 10.034 -1.853 1.00 0.00 C ATOM 40 CG2 ILE A 265 19.704 9.536 0.596 1.00 0.00 C ATOM 41 CD1 ILE A 265 20.161 11.080 -2.921 1.00 0.00 C ATOM 0 H ILE A 265 17.030 11.409 1.216 1.00 0.00 H new ATOM 0 HA ILE A 265 18.404 12.284 -1.015 1.00 0.00 H new ATOM 0 HB ILE A 265 20.461 11.343 -0.246 1.00 0.00 H new ATOM 0 HG12 ILE A 265 20.791 9.374 -1.804 1.00 0.00 H new ATOM 0 HG13 ILE A 265 19.072 9.419 -2.140 1.00 0.00 H new ATOM 0 HG21 ILE A 265 20.667 9.026 0.563 1.00 0.00 H new ATOM 0 HG22 ILE A 265 19.564 9.983 1.580 1.00 0.00 H new ATOM 0 HG23 ILE A 265 18.906 8.818 0.406 1.00 0.00 H new ATOM 0 HD11 ILE A 265 20.335 10.589 -3.879 1.00 0.00 H new ATOM 0 HD12 ILE A 265 19.286 11.726 -2.998 1.00 0.00 H new ATOM 0 HD13 ILE A 265 21.032 11.679 -2.657 1.00 0.00 H new ATOM 53 N SER A 266 16.631 9.629 -0.249 1.00 0.00 N ATOM 54 CA SER A 266 15.595 8.727 -0.723 1.00 0.00 C ATOM 55 C SER A 266 16.053 7.984 -1.970 1.00 0.00 C ATOM 56 O SER A 266 17.231 8.008 -2.328 1.00 0.00 O ATOM 57 CB SER A 266 14.310 9.501 -1.020 1.00 0.00 C ATOM 58 OG SER A 266 13.991 10.386 0.040 1.00 0.00 O ATOM 0 H SER A 266 16.831 9.554 0.748 1.00 0.00 H new ATOM 0 HA SER A 266 15.397 7.997 0.062 1.00 0.00 H new ATOM 0 HB2 SER A 266 14.427 10.065 -1.946 1.00 0.00 H new ATOM 0 HB3 SER A 266 13.488 8.802 -1.174 1.00 0.00 H new ATOM 0 HG SER A 266 13.167 10.870 -0.175 1.00 0.00 H new ATOM 64 N GLN A 267 15.109 7.325 -2.625 1.00 0.00 N ATOM 65 CA GLN A 267 15.400 6.569 -3.837 1.00 0.00 C ATOM 66 C GLN A 267 16.667 5.737 -3.668 1.00 0.00 C ATOM 67 O GLN A 267 17.720 6.075 -4.208 1.00 0.00 O ATOM 68 CB GLN A 267 15.553 7.512 -5.033 1.00 0.00 C ATOM 69 CG GLN A 267 15.612 8.982 -4.651 1.00 0.00 C ATOM 70 CD GLN A 267 15.356 9.900 -5.830 1.00 0.00 C ATOM 71 OE1 GLN A 267 14.482 9.638 -6.656 1.00 0.00 O ATOM 72 NE2 GLN A 267 16.119 10.983 -5.913 1.00 0.00 N ATOM 0 H GLN A 267 14.131 7.298 -2.337 1.00 0.00 H new ATOM 0 HA GLN A 267 14.563 5.895 -4.021 1.00 0.00 H new ATOM 0 HB2 GLN A 267 16.461 7.251 -5.576 1.00 0.00 H new ATOM 0 HB3 GLN A 267 14.717 7.357 -5.716 1.00 0.00 H new ATOM 0 HG2 GLN A 267 14.875 9.182 -3.873 1.00 0.00 H new ATOM 0 HG3 GLN A 267 16.591 9.205 -4.227 1.00 0.00 H new ATOM 0 HE21 GLN A 267 16.832 11.160 -5.205 1.00 0.00 H new ATOM 0 HE22 GLN A 267 15.993 11.638 -6.685 1.00 0.00 H new ATOM 81 N GLN A 268 16.557 4.646 -2.917 1.00 0.00 N ATOM 82 CA GLN A 268 17.692 3.764 -2.678 1.00 0.00 C ATOM 83 C GLN A 268 17.254 2.304 -2.680 1.00 0.00 C ATOM 84 O GLN A 268 17.150 1.674 -1.627 1.00 0.00 O ATOM 85 CB GLN A 268 18.367 4.104 -1.345 1.00 0.00 C ATOM 86 CG GLN A 268 17.661 5.201 -0.562 1.00 0.00 C ATOM 87 CD GLN A 268 18.068 5.229 0.898 1.00 0.00 C ATOM 88 OE1 GLN A 268 18.811 6.109 1.330 1.00 0.00 O ATOM 89 NE2 GLN A 268 17.582 4.261 1.665 1.00 0.00 N ATOM 0 H GLN A 268 15.692 4.352 -2.463 1.00 0.00 H new ATOM 0 HA GLN A 268 18.409 3.914 -3.485 1.00 0.00 H new ATOM 0 HB2 GLN A 268 18.413 3.204 -0.731 1.00 0.00 H new ATOM 0 HB3 GLN A 268 19.395 4.411 -1.537 1.00 0.00 H new ATOM 0 HG2 GLN A 268 17.883 6.167 -1.016 1.00 0.00 H new ATOM 0 HG3 GLN A 268 16.583 5.056 -0.632 1.00 0.00 H new ATOM 0 HE21 GLN A 268 16.969 3.552 1.264 1.00 0.00 H new ATOM 0 HE22 GLN A 268 17.822 4.227 2.656 1.00 0.00 H new ATOM 98 N GLU A 269 16.997 1.772 -3.871 1.00 0.00 N ATOM 99 CA GLU A 269 16.568 0.385 -4.013 1.00 0.00 C ATOM 100 C GLU A 269 17.661 -0.459 -4.659 1.00 0.00 C ATOM 101 O GLU A 269 17.595 -1.689 -4.650 1.00 0.00 O ATOM 102 CB GLU A 269 15.288 0.309 -4.847 1.00 0.00 C ATOM 103 CG GLU A 269 14.117 -0.322 -4.110 1.00 0.00 C ATOM 104 CD GLU A 269 12.775 0.137 -4.646 1.00 0.00 C ATOM 105 OE1 GLU A 269 12.756 0.826 -5.687 1.00 0.00 O ATOM 106 OE2 GLU A 269 11.744 -0.195 -4.026 1.00 0.00 O ATOM 0 H GLU A 269 17.078 2.280 -4.752 1.00 0.00 H new ATOM 0 HA GLU A 269 16.369 -0.012 -3.018 1.00 0.00 H new ATOM 0 HB2 GLU A 269 15.009 1.315 -5.161 1.00 0.00 H new ATOM 0 HB3 GLU A 269 15.488 -0.264 -5.752 1.00 0.00 H new ATOM 0 HG2 GLU A 269 14.184 -1.407 -4.190 1.00 0.00 H new ATOM 0 HG3 GLU A 269 14.184 -0.076 -3.050 1.00 0.00 H new ATOM 113 N PHE A 270 18.665 0.207 -5.219 1.00 0.00 N ATOM 114 CA PHE A 270 19.771 -0.485 -5.871 1.00 0.00 C ATOM 115 C PHE A 270 21.110 -0.062 -5.274 1.00 0.00 C ATOM 116 O PHE A 270 22.160 -0.256 -5.884 1.00 0.00 O ATOM 117 CB PHE A 270 19.761 -0.204 -7.374 1.00 0.00 C ATOM 118 CG PHE A 270 19.288 -1.367 -8.199 1.00 0.00 C ATOM 119 CD1 PHE A 270 20.013 -2.546 -8.235 1.00 0.00 C ATOM 120 CD2 PHE A 270 18.119 -1.277 -8.937 1.00 0.00 C ATOM 121 CE1 PHE A 270 19.580 -3.618 -8.994 1.00 0.00 C ATOM 122 CE2 PHE A 270 17.682 -2.345 -9.699 1.00 0.00 C ATOM 123 CZ PHE A 270 18.414 -3.517 -9.726 1.00 0.00 C ATOM 0 H PHE A 270 18.736 1.224 -5.235 1.00 0.00 H new ATOM 0 HA PHE A 270 19.642 -1.555 -5.706 1.00 0.00 H new ATOM 0 HB2 PHE A 270 19.120 0.655 -7.570 1.00 0.00 H new ATOM 0 HB3 PHE A 270 20.767 0.070 -7.691 1.00 0.00 H new ATOM 0 HD1 PHE A 270 20.926 -2.629 -7.664 1.00 0.00 H new ATOM 0 HD2 PHE A 270 17.543 -0.364 -8.917 1.00 0.00 H new ATOM 0 HE1 PHE A 270 20.153 -4.533 -9.014 1.00 0.00 H new ATOM 0 HE2 PHE A 270 16.770 -2.263 -10.272 1.00 0.00 H new ATOM 0 HZ PHE A 270 18.074 -4.353 -10.319 1.00 0.00 H new ATOM 133 N GLY A 271 21.064 0.519 -4.079 1.00 0.00 N ATOM 134 CA GLY A 271 22.281 0.961 -3.425 1.00 0.00 C ATOM 135 C GLY A 271 23.017 2.016 -4.227 1.00 0.00 C ATOM 136 O GLY A 271 24.247 2.042 -4.251 1.00 0.00 O ATOM 0 H GLY A 271 20.207 0.691 -3.553 1.00 0.00 H new ATOM 0 HA2 GLY A 271 22.037 1.361 -2.441 1.00 0.00 H new ATOM 0 HA3 GLY A 271 22.937 0.105 -3.267 1.00 0.00 H new ATOM 140 N ARG A 272 22.259 2.888 -4.884 1.00 0.00 N ATOM 141 CA ARG A 272 22.843 3.952 -5.692 1.00 0.00 C ATOM 142 C ARG A 272 23.799 3.383 -6.735 1.00 0.00 C ATOM 143 O ARG A 272 24.627 4.106 -7.292 1.00 0.00 O ATOM 144 CB ARG A 272 23.578 4.953 -4.800 1.00 0.00 C ATOM 145 CG ARG A 272 23.232 6.404 -5.095 1.00 0.00 C ATOM 146 CD ARG A 272 23.728 6.827 -6.469 1.00 0.00 C ATOM 147 NE ARG A 272 23.299 8.180 -6.811 1.00 0.00 N ATOM 148 CZ ARG A 272 23.292 8.659 -8.051 1.00 0.00 C ATOM 149 NH1 ARG A 272 23.693 7.898 -9.061 1.00 0.00 N ATOM 150 NH2 ARG A 272 22.884 9.899 -8.281 1.00 0.00 N ATOM 0 H ARG A 272 21.239 2.879 -4.873 1.00 0.00 H new ATOM 0 HA ARG A 272 22.034 4.465 -6.211 1.00 0.00 H new ATOM 0 HB2 ARG A 272 23.344 4.738 -3.758 1.00 0.00 H new ATOM 0 HB3 ARG A 272 24.652 4.813 -4.921 1.00 0.00 H new ATOM 0 HG2 ARG A 272 22.152 6.540 -5.039 1.00 0.00 H new ATOM 0 HG3 ARG A 272 23.674 7.047 -4.334 1.00 0.00 H new ATOM 0 HD2 ARG A 272 24.816 6.774 -6.494 1.00 0.00 H new ATOM 0 HD3 ARG A 272 23.358 6.128 -7.219 1.00 0.00 H new ATOM 0 HE ARG A 272 22.987 8.792 -6.057 1.00 0.00 H new ATOM 0 HH11 ARG A 272 24.007 6.943 -8.887 1.00 0.00 H new ATOM 0 HH12 ARG A 272 23.687 8.267 -10.012 1.00 0.00 H new ATOM 0 HH21 ARG A 272 22.575 10.486 -7.506 1.00 0.00 H new ATOM 0 HH22 ARG A 272 22.879 10.266 -9.233 1.00 0.00 H new ATOM 164 N THR A 273 23.681 2.086 -6.997 1.00 0.00 N ATOM 165 CA THR A 273 24.534 1.419 -7.974 1.00 0.00 C ATOM 166 C THR A 273 25.944 1.999 -7.953 1.00 0.00 C ATOM 167 O THR A 273 26.516 2.305 -9.000 1.00 0.00 O ATOM 168 CB THR A 273 23.939 1.549 -9.377 1.00 0.00 C ATOM 169 OG1 THR A 273 24.856 1.090 -10.354 1.00 0.00 O ATOM 170 CG2 THR A 273 23.557 2.968 -9.736 1.00 0.00 C ATOM 0 H THR A 273 23.001 1.474 -6.545 1.00 0.00 H new ATOM 0 HA THR A 273 24.590 0.364 -7.707 1.00 0.00 H new ATOM 0 HB THR A 273 23.036 0.939 -9.366 1.00 0.00 H new ATOM 0 HG1 THR A 273 25.604 1.720 -10.422 1.00 0.00 H new ATOM 0 HG21 THR A 273 23.142 2.989 -10.744 1.00 0.00 H new ATOM 0 HG22 THR A 273 22.813 3.334 -9.029 1.00 0.00 H new ATOM 0 HG23 THR A 273 24.441 3.604 -9.695 1.00 0.00 H new ATOM 178 N GLY A 274 26.500 2.149 -6.756 1.00 0.00 N ATOM 179 CA GLY A 274 27.838 2.693 -6.623 1.00 0.00 C ATOM 180 C GLY A 274 28.255 2.859 -5.174 1.00 0.00 C ATOM 181 O GLY A 274 29.352 2.456 -4.787 1.00 0.00 O ATOM 0 H GLY A 274 26.048 1.903 -5.875 1.00 0.00 H new ATOM 0 HA2 GLY A 274 28.546 2.036 -7.129 1.00 0.00 H new ATOM 0 HA3 GLY A 274 27.886 3.660 -7.125 1.00 0.00 H new ATOM 185 N LEU A 275 27.377 3.453 -4.374 1.00 0.00 N ATOM 186 CA LEU A 275 27.658 3.671 -2.959 1.00 0.00 C ATOM 187 C LEU A 275 26.705 2.859 -2.086 1.00 0.00 C ATOM 188 O LEU A 275 25.532 2.695 -2.417 1.00 0.00 O ATOM 189 CB LEU A 275 27.537 5.157 -2.617 1.00 0.00 C ATOM 190 CG LEU A 275 28.504 6.075 -3.367 1.00 0.00 C ATOM 191 CD1 LEU A 275 27.785 7.325 -3.852 1.00 0.00 C ATOM 192 CD2 LEU A 275 29.682 6.446 -2.479 1.00 0.00 C ATOM 0 H LEU A 275 26.465 3.792 -4.680 1.00 0.00 H new ATOM 0 HA LEU A 275 28.678 3.341 -2.761 1.00 0.00 H new ATOM 0 HB2 LEU A 275 26.517 5.480 -2.826 1.00 0.00 H new ATOM 0 HB3 LEU A 275 27.698 5.282 -1.546 1.00 0.00 H new ATOM 0 HG LEU A 275 28.884 5.539 -4.237 1.00 0.00 H new ATOM 0 HD11 LEU A 275 28.488 7.966 -4.383 1.00 0.00 H new ATOM 0 HD12 LEU A 275 26.974 7.041 -4.523 1.00 0.00 H new ATOM 0 HD13 LEU A 275 27.376 7.864 -2.997 1.00 0.00 H new ATOM 0 HD21 LEU A 275 30.360 7.099 -3.028 1.00 0.00 H new ATOM 0 HD22 LEU A 275 29.319 6.963 -1.591 1.00 0.00 H new ATOM 0 HD23 LEU A 275 30.212 5.541 -2.181 1.00 0.00 H new ATOM 204 N PRO A 276 27.203 2.343 -0.954 1.00 0.00 N ATOM 205 CA PRO A 276 26.397 1.546 -0.029 1.00 0.00 C ATOM 206 C PRO A 276 25.505 2.415 0.852 1.00 0.00 C ATOM 207 O PRO A 276 25.321 3.603 0.584 1.00 0.00 O ATOM 208 CB PRO A 276 27.449 0.828 0.813 1.00 0.00 C ATOM 209 CG PRO A 276 28.615 1.756 0.827 1.00 0.00 C ATOM 210 CD PRO A 276 28.592 2.495 -0.487 1.00 0.00 C ATOM 0 HA PRO A 276 25.713 0.874 -0.547 1.00 0.00 H new ATOM 0 HB2 PRO A 276 27.085 0.634 1.822 1.00 0.00 H new ATOM 0 HB3 PRO A 276 27.714 -0.136 0.379 1.00 0.00 H new ATOM 0 HG2 PRO A 276 28.547 2.451 1.664 1.00 0.00 H new ATOM 0 HG3 PRO A 276 29.548 1.205 0.945 1.00 0.00 H new ATOM 0 HD2 PRO A 276 28.858 3.544 -0.360 1.00 0.00 H new ATOM 0 HD3 PRO A 276 29.301 2.070 -1.197 1.00 0.00 H new ATOM 218 N ASP A 277 24.954 1.819 1.903 1.00 0.00 N ATOM 219 CA ASP A 277 24.082 2.543 2.818 1.00 0.00 C ATOM 220 C ASP A 277 24.784 2.811 4.142 1.00 0.00 C ATOM 221 O ASP A 277 24.601 3.865 4.751 1.00 0.00 O ATOM 222 CB ASP A 277 22.794 1.754 3.061 1.00 0.00 C ATOM 223 CG ASP A 277 22.049 1.454 1.775 1.00 0.00 C ATOM 224 OD1 ASP A 277 21.944 2.363 0.924 1.00 0.00 O ATOM 225 OD2 ASP A 277 21.570 0.311 1.619 1.00 0.00 O ATOM 0 H ASP A 277 25.096 0.838 2.142 1.00 0.00 H new ATOM 0 HA ASP A 277 23.833 3.500 2.360 1.00 0.00 H new ATOM 0 HB2 ASP A 277 23.034 0.818 3.565 1.00 0.00 H new ATOM 0 HB3 ASP A 277 22.145 2.319 3.730 1.00 0.00 H new ATOM 230 N LEU A 278 25.590 1.849 4.573 1.00 0.00 N ATOM 231 CA LEU A 278 26.345 1.946 5.812 1.00 0.00 C ATOM 232 C LEU A 278 25.467 1.856 7.069 1.00 0.00 C ATOM 233 O LEU A 278 25.964 1.529 8.147 1.00 0.00 O ATOM 234 CB LEU A 278 27.144 3.235 5.822 1.00 0.00 C ATOM 235 CG LEU A 278 27.791 3.564 7.152 1.00 0.00 C ATOM 236 CD1 LEU A 278 29.239 3.941 6.940 1.00 0.00 C ATOM 237 CD2 LEU A 278 27.025 4.680 7.834 1.00 0.00 C ATOM 0 H LEU A 278 25.738 0.975 4.068 1.00 0.00 H new ATOM 0 HA LEU A 278 27.014 1.086 5.844 1.00 0.00 H new ATOM 0 HB2 LEU A 278 27.921 3.172 5.060 1.00 0.00 H new ATOM 0 HB3 LEU A 278 26.487 4.057 5.539 1.00 0.00 H new ATOM 0 HG LEU A 278 27.762 2.688 7.800 1.00 0.00 H new ATOM 0 HD11 LEU A 278 29.698 4.176 7.900 1.00 0.00 H new ATOM 0 HD12 LEU A 278 29.768 3.107 6.479 1.00 0.00 H new ATOM 0 HD13 LEU A 278 29.296 4.812 6.287 1.00 0.00 H new ATOM 0 HD21 LEU A 278 27.495 4.912 8.790 1.00 0.00 H new ATOM 0 HD22 LEU A 278 27.033 5.567 7.200 1.00 0.00 H new ATOM 0 HD23 LEU A 278 25.995 4.364 8.003 1.00 0.00 H new ATOM 249 N SER A 279 24.174 2.144 6.943 1.00 0.00 N ATOM 250 CA SER A 279 23.267 2.089 8.083 1.00 0.00 C ATOM 251 C SER A 279 22.898 0.648 8.420 1.00 0.00 C ATOM 252 O SER A 279 22.409 0.361 9.512 1.00 0.00 O ATOM 253 CB SER A 279 22.001 2.897 7.790 1.00 0.00 C ATOM 254 OG SER A 279 22.180 3.730 6.659 1.00 0.00 O ATOM 0 H SER A 279 23.733 2.417 6.065 1.00 0.00 H new ATOM 0 HA SER A 279 23.778 2.522 8.943 1.00 0.00 H new ATOM 0 HB2 SER A 279 21.165 2.219 7.618 1.00 0.00 H new ATOM 0 HB3 SER A 279 21.745 3.506 8.657 1.00 0.00 H new ATOM 0 HG SER A 279 21.357 4.235 6.491 1.00 0.00 H new ATOM 260 N SER A 280 23.137 -0.254 7.475 1.00 0.00 N ATOM 261 CA SER A 280 22.832 -1.666 7.671 1.00 0.00 C ATOM 262 C SER A 280 24.079 -2.526 7.484 1.00 0.00 C ATOM 263 O SER A 280 24.013 -3.754 7.547 1.00 0.00 O ATOM 264 CB SER A 280 21.741 -2.114 6.697 1.00 0.00 C ATOM 265 OG SER A 280 21.119 -1.001 6.080 1.00 0.00 O ATOM 0 H SER A 280 23.541 -0.032 6.565 1.00 0.00 H new ATOM 0 HA SER A 280 22.474 -1.794 8.693 1.00 0.00 H new ATOM 0 HB2 SER A 280 22.174 -2.761 5.934 1.00 0.00 H new ATOM 0 HB3 SER A 280 20.994 -2.703 7.229 1.00 0.00 H new ATOM 0 HG SER A 280 20.427 -1.315 5.461 1.00 0.00 H new ATOM 271 N MET A 281 25.214 -1.873 7.251 1.00 0.00 N ATOM 272 CA MET A 281 26.473 -2.579 7.052 1.00 0.00 C ATOM 273 C MET A 281 27.417 -2.342 8.227 1.00 0.00 C ATOM 274 O MET A 281 28.177 -3.228 8.607 1.00 0.00 O ATOM 275 CB MET A 281 27.132 -2.126 5.751 1.00 0.00 C ATOM 276 CG MET A 281 26.475 -2.693 4.506 1.00 0.00 C ATOM 277 SD MET A 281 24.674 -2.603 4.563 1.00 0.00 S ATOM 278 CE MET A 281 24.422 -0.830 4.593 1.00 0.00 C ATOM 0 H MET A 281 25.286 -0.857 7.196 1.00 0.00 H new ATOM 0 HA MET A 281 26.261 -3.646 6.990 1.00 0.00 H new ATOM 0 HB2 MET A 281 27.107 -1.037 5.701 1.00 0.00 H new ATOM 0 HB3 MET A 281 28.181 -2.420 5.764 1.00 0.00 H new ATOM 0 HG2 MET A 281 26.834 -2.150 3.632 1.00 0.00 H new ATOM 0 HG3 MET A 281 26.779 -3.733 4.382 1.00 0.00 H new ATOM 0 HE1 MET A 281 23.397 -0.613 4.894 1.00 0.00 H new ATOM 0 HE2 MET A 281 25.112 -0.376 5.304 1.00 0.00 H new ATOM 0 HE3 MET A 281 24.603 -0.420 3.599 1.00 0.00 H new ATOM 288 N THR A 282 27.354 -1.141 8.795 1.00 0.00 N ATOM 289 CA THR A 282 28.191 -0.768 9.938 1.00 0.00 C ATOM 290 C THR A 282 29.518 -1.528 9.947 1.00 0.00 C ATOM 291 O THR A 282 30.520 -1.050 9.419 1.00 0.00 O ATOM 292 CB THR A 282 27.439 -1.023 11.246 1.00 0.00 C ATOM 293 OG1 THR A 282 28.330 -1.443 12.263 1.00 0.00 O ATOM 294 CG2 THR A 282 26.358 -2.074 11.119 1.00 0.00 C ATOM 0 H THR A 282 26.726 -0.401 8.481 1.00 0.00 H new ATOM 0 HA THR A 282 28.417 0.294 9.845 1.00 0.00 H new ATOM 0 HB THR A 282 26.971 -0.072 11.500 1.00 0.00 H new ATOM 0 HG1 THR A 282 27.830 -1.599 13.092 1.00 0.00 H new ATOM 0 HG21 THR A 282 25.864 -2.206 12.082 1.00 0.00 H new ATOM 0 HG22 THR A 282 25.626 -1.756 10.376 1.00 0.00 H new ATOM 0 HG23 THR A 282 26.804 -3.019 10.807 1.00 0.00 H new ATOM 302 N GLU A 283 29.512 -2.714 10.551 1.00 0.00 N ATOM 303 CA GLU A 283 30.707 -3.544 10.632 1.00 0.00 C ATOM 304 C GLU A 283 31.189 -3.902 9.238 1.00 0.00 C ATOM 305 O GLU A 283 32.302 -3.562 8.853 1.00 0.00 O ATOM 306 CB GLU A 283 30.420 -4.816 11.433 1.00 0.00 C ATOM 307 CG GLU A 283 31.058 -4.821 12.813 1.00 0.00 C ATOM 308 CD GLU A 283 32.548 -5.100 12.766 1.00 0.00 C ATOM 309 OE1 GLU A 283 32.972 -5.918 11.923 1.00 0.00 O ATOM 310 OE2 GLU A 283 33.290 -4.501 13.573 1.00 0.00 O ATOM 0 H GLU A 283 28.688 -3.121 10.993 1.00 0.00 H new ATOM 0 HA GLU A 283 31.488 -2.981 11.142 1.00 0.00 H new ATOM 0 HB2 GLU A 283 29.342 -4.933 11.540 1.00 0.00 H new ATOM 0 HB3 GLU A 283 30.780 -5.678 10.872 1.00 0.00 H new ATOM 0 HG2 GLU A 283 30.888 -3.857 13.291 1.00 0.00 H new ATOM 0 HG3 GLU A 283 30.570 -5.574 13.432 1.00 0.00 H new ATOM 317 N GLU A 284 30.334 -4.580 8.481 1.00 0.00 N ATOM 318 CA GLU A 284 30.666 -4.969 7.119 1.00 0.00 C ATOM 319 C GLU A 284 30.928 -3.729 6.266 1.00 0.00 C ATOM 320 O GLU A 284 31.480 -3.821 5.170 1.00 0.00 O ATOM 321 CB GLU A 284 29.534 -5.796 6.509 1.00 0.00 C ATOM 322 CG GLU A 284 28.387 -4.955 5.973 1.00 0.00 C ATOM 323 CD GLU A 284 27.274 -5.798 5.381 1.00 0.00 C ATOM 324 OE1 GLU A 284 26.557 -6.463 6.156 1.00 0.00 O ATOM 325 OE2 GLU A 284 27.123 -5.794 4.140 1.00 0.00 O ATOM 0 H GLU A 284 29.406 -4.871 8.789 1.00 0.00 H new ATOM 0 HA GLU A 284 31.569 -5.579 7.143 1.00 0.00 H new ATOM 0 HB2 GLU A 284 29.936 -6.405 5.700 1.00 0.00 H new ATOM 0 HB3 GLU A 284 29.149 -6.482 7.264 1.00 0.00 H new ATOM 0 HG2 GLU A 284 27.984 -4.341 6.778 1.00 0.00 H new ATOM 0 HG3 GLU A 284 28.766 -4.273 5.212 1.00 0.00 H new ATOM 332 N GLU A 285 30.530 -2.568 6.784 1.00 0.00 N ATOM 333 CA GLU A 285 30.724 -1.302 6.084 1.00 0.00 C ATOM 334 C GLU A 285 32.142 -0.788 6.297 1.00 0.00 C ATOM 335 O GLU A 285 32.747 -0.207 5.397 1.00 0.00 O ATOM 336 CB GLU A 285 29.722 -0.257 6.576 1.00 0.00 C ATOM 337 CG GLU A 285 29.637 0.971 5.684 1.00 0.00 C ATOM 338 CD GLU A 285 29.382 0.621 4.230 1.00 0.00 C ATOM 339 OE1 GLU A 285 30.303 0.082 3.580 1.00 0.00 O ATOM 340 OE2 GLU A 285 28.264 0.886 3.743 1.00 0.00 O ATOM 0 H GLU A 285 30.070 -2.479 7.690 1.00 0.00 H new ATOM 0 HA GLU A 285 30.563 -1.476 5.020 1.00 0.00 H new ATOM 0 HB2 GLU A 285 28.735 -0.715 6.644 1.00 0.00 H new ATOM 0 HB3 GLU A 285 29.999 0.054 7.583 1.00 0.00 H new ATOM 0 HG2 GLU A 285 28.839 1.621 6.042 1.00 0.00 H new ATOM 0 HG3 GLU A 285 30.566 1.536 5.760 1.00 0.00 H new ATOM 347 N GLN A 286 32.668 -1.011 7.498 1.00 0.00 N ATOM 348 CA GLN A 286 34.018 -0.580 7.833 1.00 0.00 C ATOM 349 C GLN A 286 35.030 -1.593 7.320 1.00 0.00 C ATOM 350 O GLN A 286 36.179 -1.258 7.028 1.00 0.00 O ATOM 351 CB GLN A 286 34.165 -0.405 9.346 1.00 0.00 C ATOM 352 CG GLN A 286 33.648 0.930 9.857 1.00 0.00 C ATOM 353 CD GLN A 286 32.326 1.321 9.226 1.00 0.00 C ATOM 354 OE1 GLN A 286 32.226 1.475 8.009 1.00 0.00 O ATOM 355 NE2 GLN A 286 31.301 1.487 10.055 1.00 0.00 N ATOM 0 H GLN A 286 32.178 -1.488 8.255 1.00 0.00 H new ATOM 0 HA GLN A 286 34.206 0.381 7.355 1.00 0.00 H new ATOM 0 HB2 GLN A 286 33.630 -1.210 9.850 1.00 0.00 H new ATOM 0 HB3 GLN A 286 35.217 -0.505 9.614 1.00 0.00 H new ATOM 0 HG2 GLN A 286 33.529 0.880 10.939 1.00 0.00 H new ATOM 0 HG3 GLN A 286 34.387 1.704 9.653 1.00 0.00 H new ATOM 0 HE21 GLN A 286 31.428 1.349 11.058 1.00 0.00 H new ATOM 0 HE22 GLN A 286 30.387 1.752 9.689 1.00 0.00 H new ATOM 364 N ILE A 287 34.579 -2.836 7.192 1.00 0.00 N ATOM 365 CA ILE A 287 35.421 -3.906 6.692 1.00 0.00 C ATOM 366 C ILE A 287 35.449 -3.854 5.181 1.00 0.00 C ATOM 367 O ILE A 287 36.490 -4.035 4.549 1.00 0.00 O ATOM 368 CB ILE A 287 34.912 -5.280 7.151 1.00 0.00 C ATOM 369 CG1 ILE A 287 33.704 -5.723 6.325 1.00 0.00 C ATOM 370 CG2 ILE A 287 34.565 -5.239 8.628 1.00 0.00 C ATOM 371 CD1 ILE A 287 34.067 -6.282 4.966 1.00 0.00 C ATOM 0 H ILE A 287 33.630 -3.124 7.430 1.00 0.00 H new ATOM 0 HA ILE A 287 36.426 -3.768 7.092 1.00 0.00 H new ATOM 0 HB ILE A 287 35.706 -6.010 6.996 1.00 0.00 H new ATOM 0 HG12 ILE A 287 33.151 -6.479 6.883 1.00 0.00 H new ATOM 0 HG13 ILE A 287 33.035 -4.873 6.191 1.00 0.00 H new ATOM 0 HG21 ILE A 287 34.205 -6.218 8.944 1.00 0.00 H new ATOM 0 HG22 ILE A 287 35.453 -4.976 9.203 1.00 0.00 H new ATOM 0 HG23 ILE A 287 33.788 -4.494 8.799 1.00 0.00 H new ATOM 0 HD11 ILE A 287 33.159 -6.575 4.439 1.00 0.00 H new ATOM 0 HD12 ILE A 287 34.593 -5.522 4.389 1.00 0.00 H new ATOM 0 HD13 ILE A 287 34.711 -7.153 5.091 1.00 0.00 H new ATOM 383 N ALA A 288 34.289 -3.563 4.616 1.00 0.00 N ATOM 384 CA ALA A 288 34.149 -3.432 3.184 1.00 0.00 C ATOM 385 C ALA A 288 34.919 -2.203 2.736 1.00 0.00 C ATOM 386 O ALA A 288 35.630 -2.218 1.730 1.00 0.00 O ATOM 387 CB ALA A 288 32.676 -3.323 2.811 1.00 0.00 C ATOM 0 H ALA A 288 33.425 -3.413 5.138 1.00 0.00 H new ATOM 0 HA ALA A 288 34.553 -4.311 2.682 1.00 0.00 H new ATOM 0 HB1 ALA A 288 32.581 -3.225 1.730 1.00 0.00 H new ATOM 0 HB2 ALA A 288 32.150 -4.218 3.142 1.00 0.00 H new ATOM 0 HB3 ALA A 288 32.242 -2.448 3.295 1.00 0.00 H new ATOM 393 N TYR A 289 34.801 -1.143 3.530 1.00 0.00 N ATOM 394 CA TYR A 289 35.510 0.093 3.247 1.00 0.00 C ATOM 395 C TYR A 289 36.998 -0.200 3.164 1.00 0.00 C ATOM 396 O TYR A 289 37.665 0.161 2.192 1.00 0.00 O ATOM 397 CB TYR A 289 35.233 1.131 4.333 1.00 0.00 C ATOM 398 CG TYR A 289 33.902 1.832 4.180 1.00 0.00 C ATOM 399 CD1 TYR A 289 33.020 1.479 3.167 1.00 0.00 C ATOM 400 CD2 TYR A 289 33.530 2.849 5.050 1.00 0.00 C ATOM 401 CE1 TYR A 289 31.803 2.120 3.025 1.00 0.00 C ATOM 402 CE2 TYR A 289 32.315 3.493 4.916 1.00 0.00 C ATOM 403 CZ TYR A 289 31.456 3.126 3.902 1.00 0.00 C ATOM 404 OH TYR A 289 30.246 3.766 3.764 1.00 0.00 O ATOM 0 H TYR A 289 34.223 -1.118 4.370 1.00 0.00 H new ATOM 0 HA TYR A 289 35.164 0.500 2.297 1.00 0.00 H new ATOM 0 HB2 TYR A 289 35.266 0.642 5.307 1.00 0.00 H new ATOM 0 HB3 TYR A 289 36.029 1.876 4.323 1.00 0.00 H new ATOM 0 HD1 TYR A 289 33.289 0.691 2.479 1.00 0.00 H new ATOM 0 HD2 TYR A 289 34.201 3.141 5.844 1.00 0.00 H new ATOM 0 HE1 TYR A 289 31.128 1.834 2.232 1.00 0.00 H new ATOM 0 HE2 TYR A 289 32.039 4.280 5.602 1.00 0.00 H new ATOM 0 HH TYR A 289 29.984 3.771 2.820 1.00 0.00 H new ATOM 414 N ALA A 290 37.508 -0.893 4.180 1.00 0.00 N ATOM 415 CA ALA A 290 38.909 -1.272 4.204 1.00 0.00 C ATOM 416 C ALA A 290 39.209 -2.153 3.001 1.00 0.00 C ATOM 417 O ALA A 290 40.332 -2.190 2.503 1.00 0.00 O ATOM 418 CB ALA A 290 39.247 -1.995 5.498 1.00 0.00 C ATOM 0 H ALA A 290 36.971 -1.200 4.991 1.00 0.00 H new ATOM 0 HA ALA A 290 39.526 -0.375 4.155 1.00 0.00 H new ATOM 0 HB1 ALA A 290 40.302 -2.271 5.496 1.00 0.00 H new ATOM 0 HB2 ALA A 290 39.045 -1.339 6.345 1.00 0.00 H new ATOM 0 HB3 ALA A 290 38.637 -2.895 5.582 1.00 0.00 H new ATOM 424 N MET A 291 38.177 -2.854 2.533 1.00 0.00 N ATOM 425 CA MET A 291 38.306 -3.730 1.375 1.00 0.00 C ATOM 426 C MET A 291 38.698 -2.918 0.142 1.00 0.00 C ATOM 427 O MET A 291 39.495 -3.362 -0.682 1.00 0.00 O ATOM 428 CB MET A 291 36.989 -4.496 1.137 1.00 0.00 C ATOM 429 CG MET A 291 36.165 -4.000 -0.050 1.00 0.00 C ATOM 430 SD MET A 291 34.387 -4.144 0.221 1.00 0.00 S ATOM 431 CE MET A 291 33.861 -2.456 -0.082 1.00 0.00 C ATOM 0 H MET A 291 37.242 -2.830 2.940 1.00 0.00 H new ATOM 0 HA MET A 291 39.093 -4.459 1.567 1.00 0.00 H new ATOM 0 HB2 MET A 291 37.221 -5.550 0.985 1.00 0.00 H new ATOM 0 HB3 MET A 291 36.379 -4.430 2.038 1.00 0.00 H new ATOM 0 HG2 MET A 291 36.414 -2.958 -0.248 1.00 0.00 H new ATOM 0 HG3 MET A 291 36.439 -4.568 -0.939 1.00 0.00 H new ATOM 0 HE1 MET A 291 33.448 -2.034 0.834 1.00 0.00 H new ATOM 0 HE2 MET A 291 34.716 -1.861 -0.403 1.00 0.00 H new ATOM 0 HE3 MET A 291 33.099 -2.447 -0.861 1.00 0.00 H new ATOM 441 N GLN A 292 38.126 -1.724 0.029 1.00 0.00 N ATOM 442 CA GLN A 292 38.410 -0.843 -1.098 1.00 0.00 C ATOM 443 C GLN A 292 39.801 -0.236 -0.973 1.00 0.00 C ATOM 444 O GLN A 292 40.535 -0.128 -1.955 1.00 0.00 O ATOM 445 CB GLN A 292 37.362 0.269 -1.179 1.00 0.00 C ATOM 446 CG GLN A 292 37.595 1.243 -2.323 1.00 0.00 C ATOM 447 CD GLN A 292 36.593 1.072 -3.447 1.00 0.00 C ATOM 448 OE1 GLN A 292 36.814 0.302 -4.381 1.00 0.00 O ATOM 449 NE2 GLN A 292 35.481 1.794 -3.362 1.00 0.00 N ATOM 0 H GLN A 292 37.463 -1.344 0.704 1.00 0.00 H new ATOM 0 HA GLN A 292 38.371 -1.437 -2.011 1.00 0.00 H new ATOM 0 HB2 GLN A 292 36.375 -0.181 -1.291 1.00 0.00 H new ATOM 0 HB3 GLN A 292 37.356 0.821 -0.239 1.00 0.00 H new ATOM 0 HG2 GLN A 292 37.539 2.263 -1.944 1.00 0.00 H new ATOM 0 HG3 GLN A 292 38.602 1.103 -2.715 1.00 0.00 H new ATOM 0 HE21 GLN A 292 35.339 2.420 -2.570 1.00 0.00 H new ATOM 0 HE22 GLN A 292 34.769 1.722 -4.089 1.00 0.00 H new ATOM 458 N MET A 293 40.158 0.162 0.243 1.00 0.00 N ATOM 459 CA MET A 293 41.462 0.762 0.501 1.00 0.00 C ATOM 460 C MET A 293 42.569 -0.288 0.432 1.00 0.00 C ATOM 461 O MET A 293 43.744 0.047 0.279 1.00 0.00 O ATOM 462 CB MET A 293 41.466 1.446 1.872 1.00 0.00 C ATOM 463 CG MET A 293 42.838 1.509 2.525 1.00 0.00 C ATOM 464 SD MET A 293 42.873 2.593 3.966 1.00 0.00 S ATOM 465 CE MET A 293 42.170 1.518 5.214 1.00 0.00 C ATOM 0 H MET A 293 39.562 0.080 1.067 1.00 0.00 H new ATOM 0 HA MET A 293 41.653 1.509 -0.269 1.00 0.00 H new ATOM 0 HB2 MET A 293 41.080 2.459 1.763 1.00 0.00 H new ATOM 0 HB3 MET A 293 40.783 0.914 2.535 1.00 0.00 H new ATOM 0 HG2 MET A 293 43.141 0.505 2.823 1.00 0.00 H new ATOM 0 HG3 MET A 293 43.568 1.858 1.795 1.00 0.00 H new ATOM 0 HE1 MET A 293 42.125 2.047 6.166 1.00 0.00 H new ATOM 0 HE2 MET A 293 41.164 1.222 4.915 1.00 0.00 H new ATOM 0 HE3 MET A 293 42.792 0.630 5.321 1.00 0.00 H new ATOM 475 N SER A 294 42.190 -1.554 0.552 1.00 0.00 N ATOM 476 CA SER A 294 43.154 -2.647 0.507 1.00 0.00 C ATOM 477 C SER A 294 42.995 -3.467 -0.770 1.00 0.00 C ATOM 478 O SER A 294 43.764 -4.393 -1.022 1.00 0.00 O ATOM 479 CB SER A 294 42.989 -3.550 1.730 1.00 0.00 C ATOM 480 OG SER A 294 41.879 -4.419 1.577 1.00 0.00 O ATOM 0 H SER A 294 41.222 -1.850 0.681 1.00 0.00 H new ATOM 0 HA SER A 294 44.154 -2.214 0.514 1.00 0.00 H new ATOM 0 HB2 SER A 294 43.896 -4.136 1.878 1.00 0.00 H new ATOM 0 HB3 SER A 294 42.856 -2.938 2.622 1.00 0.00 H new ATOM 0 HG SER A 294 41.072 -3.983 1.923 1.00 0.00 H new ATOM 486 N LEU A 295 41.991 -3.123 -1.569 1.00 0.00 N ATOM 487 CA LEU A 295 41.729 -3.830 -2.816 1.00 0.00 C ATOM 488 C LEU A 295 43.015 -4.042 -3.609 1.00 0.00 C ATOM 489 O LEU A 295 43.120 -4.980 -4.400 1.00 0.00 O ATOM 490 CB LEU A 295 40.716 -3.057 -3.662 1.00 0.00 C ATOM 491 CG LEU A 295 39.409 -3.798 -3.943 1.00 0.00 C ATOM 492 CD1 LEU A 295 38.426 -2.894 -4.668 1.00 0.00 C ATOM 493 CD2 LEU A 295 39.676 -5.058 -4.753 1.00 0.00 C ATOM 0 H LEU A 295 41.345 -2.358 -1.375 1.00 0.00 H new ATOM 0 HA LEU A 295 41.315 -4.807 -2.567 1.00 0.00 H new ATOM 0 HB2 LEU A 295 40.483 -2.120 -3.156 1.00 0.00 H new ATOM 0 HB3 LEU A 295 41.181 -2.799 -4.613 1.00 0.00 H new ATOM 0 HG LEU A 295 38.966 -4.088 -2.990 1.00 0.00 H new ATOM 0 HD11 LEU A 295 37.502 -3.440 -4.859 1.00 0.00 H new ATOM 0 HD12 LEU A 295 38.211 -2.021 -4.051 1.00 0.00 H new ATOM 0 HD13 LEU A 295 38.859 -2.571 -5.615 1.00 0.00 H new ATOM 0 HD21 LEU A 295 38.735 -5.574 -4.944 1.00 0.00 H new ATOM 0 HD22 LEU A 295 40.142 -4.789 -5.701 1.00 0.00 H new ATOM 0 HD23 LEU A 295 40.343 -5.715 -4.195 1.00 0.00 H new ATOM 505 N GLN A 296 43.992 -3.166 -3.394 1.00 0.00 N ATOM 506 CA GLN A 296 45.271 -3.259 -4.089 1.00 0.00 C ATOM 507 C GLN A 296 45.673 -4.716 -4.299 1.00 0.00 C ATOM 508 O GLN A 296 46.154 -5.091 -5.368 1.00 0.00 O ATOM 509 CB GLN A 296 46.359 -2.525 -3.303 1.00 0.00 C ATOM 510 CG GLN A 296 47.376 -1.818 -4.184 1.00 0.00 C ATOM 511 CD GLN A 296 48.184 -0.784 -3.424 1.00 0.00 C ATOM 512 OE1 GLN A 296 48.363 -0.889 -2.211 1.00 0.00 O ATOM 513 NE2 GLN A 296 48.676 0.222 -4.136 1.00 0.00 N ATOM 0 H GLN A 296 43.922 -2.383 -2.744 1.00 0.00 H new ATOM 0 HA GLN A 296 45.159 -2.788 -5.066 1.00 0.00 H new ATOM 0 HB2 GLN A 296 45.889 -1.793 -2.646 1.00 0.00 H new ATOM 0 HB3 GLN A 296 46.879 -3.239 -2.665 1.00 0.00 H new ATOM 0 HG2 GLN A 296 48.052 -2.556 -4.617 1.00 0.00 H new ATOM 0 HG3 GLN A 296 46.860 -1.333 -5.013 1.00 0.00 H new ATOM 0 HE21 GLN A 296 48.503 0.269 -5.140 1.00 0.00 H new ATOM 0 HE22 GLN A 296 49.228 0.948 -3.679 1.00 0.00 H new ATOM 522 N GLY A 297 45.471 -5.532 -3.270 1.00 0.00 N ATOM 523 CA GLY A 297 45.815 -6.940 -3.357 1.00 0.00 C ATOM 524 C GLY A 297 45.239 -7.747 -2.210 1.00 0.00 C ATOM 525 O GLY A 297 45.940 -8.550 -1.594 1.00 0.00 O ATOM 0 H GLY A 297 45.075 -5.243 -2.376 1.00 0.00 H new ATOM 0 HA2 GLY A 297 45.449 -7.343 -4.301 1.00 0.00 H new ATOM 0 HA3 GLY A 297 46.900 -7.047 -3.364 1.00 0.00 H new ATOM 529 N ALA A 298 43.960 -7.531 -1.921 1.00 0.00 N ATOM 530 CA ALA A 298 43.290 -8.242 -0.840 1.00 0.00 C ATOM 531 C ALA A 298 42.014 -8.915 -1.335 1.00 0.00 C ATOM 532 O ALA A 298 41.056 -9.083 -0.582 1.00 0.00 O ATOM 533 CB ALA A 298 42.976 -7.288 0.302 1.00 0.00 C ATOM 0 H ALA A 298 43.367 -6.869 -2.421 1.00 0.00 H new ATOM 0 HA ALA A 298 43.962 -9.019 -0.476 1.00 0.00 H new ATOM 0 HB1 ALA A 298 42.476 -7.832 1.103 1.00 0.00 H new ATOM 0 HB2 ALA A 298 43.902 -6.856 0.680 1.00 0.00 H new ATOM 0 HB3 ALA A 298 42.325 -6.492 -0.058 1.00 0.00 H new ATOM 539 N GLU A 299 42.011 -9.300 -2.608 1.00 0.00 N ATOM 540 CA GLU A 299 40.853 -9.955 -3.204 1.00 0.00 C ATOM 541 C GLU A 299 41.029 -11.470 -3.210 1.00 0.00 C ATOM 542 O GLU A 299 41.053 -12.098 -4.268 1.00 0.00 O ATOM 543 CB GLU A 299 40.633 -9.450 -4.631 1.00 0.00 C ATOM 544 CG GLU A 299 39.706 -8.249 -4.715 1.00 0.00 C ATOM 545 CD GLU A 299 39.489 -7.777 -6.139 1.00 0.00 C ATOM 546 OE1 GLU A 299 40.488 -7.640 -6.878 1.00 0.00 O ATOM 547 OE2 GLU A 299 38.321 -7.546 -6.517 1.00 0.00 O ATOM 0 H GLU A 299 42.797 -9.170 -3.245 1.00 0.00 H new ATOM 0 HA GLU A 299 39.978 -9.711 -2.601 1.00 0.00 H new ATOM 0 HB2 GLU A 299 41.597 -9.186 -5.067 1.00 0.00 H new ATOM 0 HB3 GLU A 299 40.221 -10.259 -5.234 1.00 0.00 H new ATOM 0 HG2 GLU A 299 38.744 -8.506 -4.271 1.00 0.00 H new ATOM 0 HG3 GLU A 299 40.122 -7.432 -4.125 1.00 0.00 H new ATOM 554 N PHE A 300 41.152 -12.051 -2.021 1.00 0.00 N ATOM 555 CA PHE A 300 41.326 -13.492 -1.889 1.00 0.00 C ATOM 556 C PHE A 300 40.067 -14.142 -1.323 1.00 0.00 C ATOM 557 O PHE A 300 39.627 -15.188 -1.801 1.00 0.00 O ATOM 558 CB PHE A 300 42.523 -13.801 -0.988 1.00 0.00 C ATOM 559 CG PHE A 300 43.844 -13.402 -1.583 1.00 0.00 C ATOM 560 CD1 PHE A 300 44.039 -13.429 -2.955 1.00 0.00 C ATOM 561 CD2 PHE A 300 44.891 -12.998 -0.770 1.00 0.00 C ATOM 562 CE1 PHE A 300 45.253 -13.062 -3.504 1.00 0.00 C ATOM 563 CE2 PHE A 300 46.108 -12.630 -1.313 1.00 0.00 C ATOM 564 CZ PHE A 300 46.288 -12.663 -2.682 1.00 0.00 C ATOM 0 H PHE A 300 41.134 -11.545 -1.135 1.00 0.00 H new ATOM 0 HA PHE A 300 41.511 -13.904 -2.881 1.00 0.00 H new ATOM 0 HB2 PHE A 300 42.393 -13.286 -0.036 1.00 0.00 H new ATOM 0 HB3 PHE A 300 42.539 -14.869 -0.773 1.00 0.00 H new ATOM 0 HD1 PHE A 300 43.233 -13.740 -3.603 1.00 0.00 H new ATOM 0 HD2 PHE A 300 44.755 -12.970 0.301 1.00 0.00 H new ATOM 0 HE1 PHE A 300 45.392 -13.087 -4.575 1.00 0.00 H new ATOM 0 HE2 PHE A 300 46.916 -12.317 -0.668 1.00 0.00 H new ATOM 0 HZ PHE A 300 47.238 -12.377 -3.109 1.00 0.00 H new ATOM 574 N GLY A 301 39.492 -13.515 -0.302 1.00 0.00 N ATOM 575 CA GLY A 301 38.289 -14.045 0.313 1.00 0.00 C ATOM 576 C GLY A 301 37.350 -12.952 0.785 1.00 0.00 C ATOM 577 O GLY A 301 37.705 -12.150 1.649 1.00 0.00 O ATOM 0 H GLY A 301 39.838 -12.649 0.111 1.00 0.00 H new ATOM 0 HA2 GLY A 301 37.769 -14.682 -0.402 1.00 0.00 H new ATOM 0 HA3 GLY A 301 38.564 -14.674 1.159 1.00 0.00 H new ATOM 581 N GLN A 302 36.149 -12.920 0.215 1.00 0.00 N ATOM 582 CA GLN A 302 35.155 -11.918 0.582 1.00 0.00 C ATOM 583 C GLN A 302 35.682 -10.510 0.322 1.00 0.00 C ATOM 584 O GLN A 302 35.450 -9.937 -0.743 1.00 0.00 O ATOM 585 CB GLN A 302 34.769 -12.066 2.055 1.00 0.00 C ATOM 586 CG GLN A 302 34.000 -13.342 2.356 1.00 0.00 C ATOM 587 CD GLN A 302 34.892 -14.452 2.874 1.00 0.00 C ATOM 588 OE1 GLN A 302 35.493 -15.196 2.098 1.00 0.00 O ATOM 589 NE2 GLN A 302 34.984 -14.570 4.194 1.00 0.00 N ATOM 0 H GLN A 302 35.841 -13.576 -0.503 1.00 0.00 H new ATOM 0 HA GLN A 302 34.271 -12.077 -0.035 1.00 0.00 H new ATOM 0 HB2 GLN A 302 35.673 -12.044 2.663 1.00 0.00 H new ATOM 0 HB3 GLN A 302 34.165 -11.209 2.352 1.00 0.00 H new ATOM 0 HG2 GLN A 302 33.225 -13.130 3.093 1.00 0.00 H new ATOM 0 HG3 GLN A 302 33.495 -13.679 1.451 1.00 0.00 H new ATOM 0 HE21 GLN A 302 34.469 -13.932 4.800 1.00 0.00 H new ATOM 0 HE22 GLN A 302 35.570 -15.299 4.601 1.00 0.00 H new ATOM 598 N ALA A 303 36.391 -9.958 1.301 1.00 0.00 N ATOM 599 CA ALA A 303 36.952 -8.618 1.178 1.00 0.00 C ATOM 600 C ALA A 303 38.450 -8.624 1.454 1.00 0.00 C ATOM 601 O ALA A 303 39.215 -7.909 0.805 1.00 0.00 O ATOM 602 CB ALA A 303 36.242 -7.660 2.123 1.00 0.00 C ATOM 0 H ALA A 303 36.591 -10.419 2.189 1.00 0.00 H new ATOM 0 HA ALA A 303 36.799 -8.279 0.153 1.00 0.00 H new ATOM 0 HB1 ALA A 303 36.671 -6.663 2.021 1.00 0.00 H new ATOM 0 HB2 ALA A 303 35.181 -7.625 1.876 1.00 0.00 H new ATOM 0 HB3 ALA A 303 36.365 -8.004 3.150 1.00 0.00 H new ATOM 608 N GLU A 304 38.864 -9.435 2.422 1.00 0.00 N ATOM 609 CA GLU A 304 40.274 -9.534 2.786 1.00 0.00 C ATOM 610 C GLU A 304 40.560 -10.848 3.506 1.00 0.00 C ATOM 611 O GLU A 304 41.539 -11.531 3.209 1.00 0.00 O ATOM 612 CB GLU A 304 40.678 -8.355 3.671 1.00 0.00 C ATOM 613 CG GLU A 304 42.164 -8.317 3.992 1.00 0.00 C ATOM 614 CD GLU A 304 42.457 -8.668 5.438 1.00 0.00 C ATOM 615 OE1 GLU A 304 41.739 -8.165 6.328 1.00 0.00 O ATOM 616 OE2 GLU A 304 43.404 -9.445 5.680 1.00 0.00 O ATOM 0 H GLU A 304 38.244 -10.033 2.969 1.00 0.00 H new ATOM 0 HA GLU A 304 40.862 -9.509 1.869 1.00 0.00 H new ATOM 0 HB2 GLU A 304 40.398 -7.426 3.175 1.00 0.00 H new ATOM 0 HB3 GLU A 304 40.114 -8.401 4.603 1.00 0.00 H new ATOM 0 HG2 GLU A 304 42.691 -9.013 3.339 1.00 0.00 H new ATOM 0 HG3 GLU A 304 42.553 -7.322 3.777 1.00 0.00 H new ATOM 623 N SER A 305 39.696 -11.197 4.454 1.00 0.00 N ATOM 624 CA SER A 305 39.855 -12.431 5.217 1.00 0.00 C ATOM 625 C SER A 305 41.073 -12.354 6.132 1.00 0.00 C ATOM 626 O SER A 305 41.747 -11.326 6.202 1.00 0.00 O ATOM 627 CB SER A 305 39.990 -13.624 4.270 1.00 0.00 C ATOM 628 OG SER A 305 39.555 -14.821 4.892 1.00 0.00 O ATOM 0 H SER A 305 38.879 -10.644 4.712 1.00 0.00 H new ATOM 0 HA SER A 305 38.967 -12.563 5.836 1.00 0.00 H new ATOM 0 HB2 SER A 305 39.404 -13.445 3.369 1.00 0.00 H new ATOM 0 HB3 SER A 305 41.029 -13.729 3.959 1.00 0.00 H new ATOM 0 HG SER A 305 39.650 -15.568 4.265 1.00 0.00 H new ATOM 634 N ALA A 306 41.347 -13.449 6.834 1.00 0.00 N ATOM 635 CA ALA A 306 42.482 -13.510 7.746 1.00 0.00 C ATOM 636 C ALA A 306 42.333 -12.498 8.877 1.00 0.00 C ATOM 637 O ALA A 306 41.677 -11.469 8.721 1.00 0.00 O ATOM 638 CB ALA A 306 43.781 -13.270 6.990 1.00 0.00 C ATOM 0 H ALA A 306 40.797 -14.307 6.788 1.00 0.00 H new ATOM 0 HA ALA A 306 42.509 -14.507 8.186 1.00 0.00 H new ATOM 0 HB1 ALA A 306 44.620 -13.318 7.684 1.00 0.00 H new ATOM 0 HB2 ALA A 306 43.901 -14.034 6.221 1.00 0.00 H new ATOM 0 HB3 ALA A 306 43.753 -12.286 6.522 1.00 0.00 H new ATOM 644 N ASP A 307 42.946 -12.801 10.017 1.00 0.00 N ATOM 645 CA ASP A 307 42.882 -11.918 11.176 1.00 0.00 C ATOM 646 C ASP A 307 44.032 -10.916 11.162 1.00 0.00 C ATOM 647 O ASP A 307 45.168 -11.316 11.490 1.00 0.00 O ATOM 648 CB ASP A 307 42.919 -12.736 12.467 1.00 0.00 C ATOM 649 CG ASP A 307 41.824 -13.785 12.519 1.00 0.00 C ATOM 650 OD1 ASP A 307 40.635 -13.403 12.528 1.00 0.00 O ATOM 651 OD2 ASP A 307 42.157 -14.988 12.550 1.00 0.00 O ATOM 652 OXT ASP A 307 43.786 -9.739 10.823 1.00 0.00 O ATOM 0 H ASP A 307 43.492 -13.650 10.163 1.00 0.00 H new ATOM 0 HA ASP A 307 41.943 -11.366 11.130 1.00 0.00 H new ATOM 0 HB2 ASP A 307 43.890 -13.223 12.557 1.00 0.00 H new ATOM 0 HB3 ASP A 307 42.818 -12.066 13.321 1.00 0.00 H new TER 657 ASP A 307