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 302 GLN : amide:sc= 0.457 K(o=-0.9,f=-6.2) USER MOD Set 1.2: A 305 SER OG : rot -108:sc= -1.36! USER MOD Set 2.1: A 293 MET CE :methyl -150:sc=-0.00045 (180deg=0) USER MOD Set 2.2: A 294 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 280 SER OG : rot 180:sc= -0.886 USER MOD Set 3.2: A 281 MET CE :methyl -154:sc= -7.03! (180deg=-6.27!) USER MOD Single : A 263 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 264 THR OG1 : rot 180:sc= 0.00607 USER MOD Single : A 266 SER OG : rot 180:sc=-0.00351 USER MOD Single : A 267 GLN : amide:sc= -0.25 K(o=-0.25,f=-1.4!) USER MOD Single : A 268 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 273 THR OG1 : rot 180:sc= 0 USER MOD Single : A 279 SER OG : rot 180:sc= 0 USER MOD Single : A 282 THR OG1 : rot 180:sc= -0.875! USER MOD Single : A 286 GLN : amide:sc= -1.51 K(o=-1.5,f=-0.3) USER MOD Single : A 289 TYR OH : rot 180:sc= -0.76 USER MOD Single : A 291 MET CE :methyl -116:sc= -10.5! (180deg=-11.7!) USER MOD Single : A 292 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 296 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 263 29.381 13.532 -15.818 1.00 0.00 N ATOM 2 CA MET A 263 30.730 13.572 -15.193 1.00 0.00 C ATOM 3 C MET A 263 30.646 13.995 -13.730 1.00 0.00 C ATOM 4 O MET A 263 29.561 14.256 -13.211 1.00 0.00 O ATOM 5 CB MET A 263 31.601 14.555 -15.978 1.00 0.00 C ATOM 6 CG MET A 263 32.947 13.979 -16.389 1.00 0.00 C ATOM 7 SD MET A 263 34.284 15.183 -16.271 1.00 0.00 S ATOM 8 CE MET A 263 34.429 15.698 -17.980 1.00 0.00 C ATOM 0 HA MET A 263 31.169 12.575 -15.222 1.00 0.00 H new ATOM 0 HB2 MET A 263 31.063 14.872 -16.871 1.00 0.00 H new ATOM 0 HB3 MET A 263 31.766 15.446 -15.372 1.00 0.00 H new ATOM 0 HG2 MET A 263 33.179 13.122 -15.757 1.00 0.00 H new ATOM 0 HG3 MET A 263 32.883 13.612 -17.413 1.00 0.00 H new ATOM 0 HE1 MET A 263 35.218 16.444 -18.069 1.00 0.00 H new ATOM 0 HE2 MET A 263 34.673 14.836 -18.600 1.00 0.00 H new ATOM 0 HE3 MET A 263 33.484 16.128 -18.312 1.00 0.00 H new ATOM 20 N THR A 264 31.797 14.060 -13.071 1.00 0.00 N ATOM 21 CA THR A 264 31.853 14.451 -11.667 1.00 0.00 C ATOM 22 C THR A 264 32.316 15.898 -11.523 1.00 0.00 C ATOM 23 O THR A 264 33.249 16.189 -10.775 1.00 0.00 O ATOM 24 CB THR A 264 32.794 13.524 -10.895 1.00 0.00 C ATOM 25 OG1 THR A 264 33.229 12.455 -11.717 1.00 0.00 O ATOM 26 CG2 THR A 264 32.162 12.923 -9.658 1.00 0.00 C ATOM 0 H THR A 264 32.704 13.847 -13.486 1.00 0.00 H new ATOM 0 HA THR A 264 30.849 14.366 -11.252 1.00 0.00 H new ATOM 0 HB THR A 264 33.630 14.152 -10.587 1.00 0.00 H new ATOM 0 HG1 THR A 264 33.831 11.874 -11.207 1.00 0.00 H new ATOM 0 HG21 THR A 264 32.883 12.277 -9.158 1.00 0.00 H new ATOM 0 HG22 THR A 264 31.859 13.721 -8.980 1.00 0.00 H new ATOM 0 HG23 THR A 264 31.288 12.338 -9.944 1.00 0.00 H new ATOM 34 N ILE A 265 31.658 16.801 -12.245 1.00 0.00 N ATOM 35 CA ILE A 265 32.004 18.217 -12.196 1.00 0.00 C ATOM 36 C ILE A 265 30.785 19.070 -11.859 1.00 0.00 C ATOM 37 O ILE A 265 30.895 20.076 -11.159 1.00 0.00 O ATOM 38 CB ILE A 265 32.596 18.699 -13.534 1.00 0.00 C ATOM 39 CG1 ILE A 265 31.494 18.826 -14.587 1.00 0.00 C ATOM 40 CG2 ILE A 265 33.684 17.747 -14.007 1.00 0.00 C ATOM 41 CD1 ILE A 265 31.994 19.314 -15.930 1.00 0.00 C ATOM 0 H ILE A 265 30.883 16.577 -12.870 1.00 0.00 H new ATOM 0 HA ILE A 265 32.754 18.331 -11.413 1.00 0.00 H new ATOM 0 HB ILE A 265 33.043 19.682 -13.384 1.00 0.00 H new ATOM 0 HG12 ILE A 265 31.014 17.856 -14.718 1.00 0.00 H new ATOM 0 HG13 ILE A 265 30.731 19.513 -14.221 1.00 0.00 H new ATOM 0 HG21 ILE A 265 34.092 18.102 -14.953 1.00 0.00 H new ATOM 0 HG22 ILE A 265 34.479 17.704 -13.263 1.00 0.00 H new ATOM 0 HG23 ILE A 265 33.262 16.751 -14.144 1.00 0.00 H new ATOM 0 HD11 ILE A 265 31.159 19.380 -16.627 1.00 0.00 H new ATOM 0 HD12 ILE A 265 32.448 20.298 -15.814 1.00 0.00 H new ATOM 0 HD13 ILE A 265 32.736 18.616 -16.318 1.00 0.00 H new ATOM 53 N SER A 266 29.625 18.662 -12.365 1.00 0.00 N ATOM 54 CA SER A 266 28.387 19.392 -12.118 1.00 0.00 C ATOM 55 C SER A 266 27.313 18.469 -11.548 1.00 0.00 C ATOM 56 O SER A 266 27.377 17.251 -11.713 1.00 0.00 O ATOM 57 CB SER A 266 27.884 20.041 -13.410 1.00 0.00 C ATOM 58 OG SER A 266 28.754 21.077 -13.832 1.00 0.00 O ATOM 0 H SER A 266 29.517 17.832 -12.947 1.00 0.00 H new ATOM 0 HA SER A 266 28.597 20.172 -11.386 1.00 0.00 H new ATOM 0 HB2 SER A 266 27.805 19.287 -14.193 1.00 0.00 H new ATOM 0 HB3 SER A 266 26.883 20.443 -13.253 1.00 0.00 H new ATOM 0 HG SER A 266 28.412 21.474 -14.660 1.00 0.00 H new ATOM 64 N GLN A 267 26.329 19.059 -10.878 1.00 0.00 N ATOM 65 CA GLN A 267 25.241 18.290 -10.284 1.00 0.00 C ATOM 66 C GLN A 267 25.781 17.094 -9.507 1.00 0.00 C ATOM 67 O GLN A 267 25.715 15.957 -9.975 1.00 0.00 O ATOM 68 CB GLN A 267 24.275 17.815 -11.371 1.00 0.00 C ATOM 69 CG GLN A 267 23.353 18.909 -11.887 1.00 0.00 C ATOM 70 CD GLN A 267 23.269 18.934 -13.401 1.00 0.00 C ATOM 71 OE1 GLN A 267 24.224 18.581 -14.092 1.00 0.00 O ATOM 72 NE2 GLN A 267 22.122 19.353 -13.923 1.00 0.00 N ATOM 0 H GLN A 267 26.262 20.066 -10.733 1.00 0.00 H new ATOM 0 HA GLN A 267 24.706 18.938 -9.590 1.00 0.00 H new ATOM 0 HB2 GLN A 267 24.850 17.412 -12.205 1.00 0.00 H new ATOM 0 HB3 GLN A 267 23.671 16.998 -10.977 1.00 0.00 H new ATOM 0 HG2 GLN A 267 22.355 18.763 -11.474 1.00 0.00 H new ATOM 0 HG3 GLN A 267 23.707 19.876 -11.530 1.00 0.00 H new ATOM 0 HE21 GLN A 267 21.357 19.636 -13.311 1.00 0.00 H new ATOM 0 HE22 GLN A 267 22.007 19.392 -14.936 1.00 0.00 H new ATOM 81 N GLN A 268 26.314 17.358 -8.319 1.00 0.00 N ATOM 82 CA GLN A 268 26.864 16.303 -7.475 1.00 0.00 C ATOM 83 C GLN A 268 25.870 15.900 -6.392 1.00 0.00 C ATOM 84 O GLN A 268 26.253 15.362 -5.353 1.00 0.00 O ATOM 85 CB GLN A 268 28.173 16.766 -6.834 1.00 0.00 C ATOM 86 CG GLN A 268 28.926 17.796 -7.659 1.00 0.00 C ATOM 87 CD GLN A 268 28.997 19.149 -6.978 1.00 0.00 C ATOM 88 OE1 GLN A 268 28.141 20.008 -7.187 1.00 0.00 O ATOM 89 NE2 GLN A 268 30.022 19.345 -6.156 1.00 0.00 N ATOM 0 H GLN A 268 26.377 18.294 -7.918 1.00 0.00 H new ATOM 0 HA GLN A 268 27.062 15.435 -8.103 1.00 0.00 H new ATOM 0 HB2 GLN A 268 27.957 17.187 -5.852 1.00 0.00 H new ATOM 0 HB3 GLN A 268 28.816 15.900 -6.675 1.00 0.00 H new ATOM 0 HG2 GLN A 268 29.937 17.435 -7.849 1.00 0.00 H new ATOM 0 HG3 GLN A 268 28.439 17.906 -8.628 1.00 0.00 H new ATOM 0 HE21 GLN A 268 30.709 18.605 -6.012 1.00 0.00 H new ATOM 0 HE22 GLN A 268 30.122 20.236 -5.669 1.00 0.00 H new ATOM 98 N GLU A 269 24.592 16.164 -6.642 1.00 0.00 N ATOM 99 CA GLU A 269 23.542 15.827 -5.687 1.00 0.00 C ATOM 100 C GLU A 269 22.734 14.629 -6.173 1.00 0.00 C ATOM 101 O GLU A 269 21.505 14.620 -6.087 1.00 0.00 O ATOM 102 CB GLU A 269 22.619 17.028 -5.470 1.00 0.00 C ATOM 103 CG GLU A 269 22.538 17.956 -6.671 1.00 0.00 C ATOM 104 CD GLU A 269 21.225 18.711 -6.737 1.00 0.00 C ATOM 105 OE1 GLU A 269 20.163 18.055 -6.766 1.00 0.00 O ATOM 106 OE2 GLU A 269 21.260 19.960 -6.760 1.00 0.00 O ATOM 0 H GLU A 269 24.258 16.610 -7.497 1.00 0.00 H new ATOM 0 HA GLU A 269 24.013 15.565 -4.740 1.00 0.00 H new ATOM 0 HB2 GLU A 269 21.618 16.668 -5.231 1.00 0.00 H new ATOM 0 HB3 GLU A 269 22.969 17.594 -4.607 1.00 0.00 H new ATOM 0 HG2 GLU A 269 23.361 18.669 -6.631 1.00 0.00 H new ATOM 0 HG3 GLU A 269 22.665 17.374 -7.584 1.00 0.00 H new ATOM 113 N PHE A 270 23.431 13.619 -6.683 1.00 0.00 N ATOM 114 CA PHE A 270 22.778 12.415 -7.183 1.00 0.00 C ATOM 115 C PHE A 270 23.169 11.198 -6.352 1.00 0.00 C ATOM 116 O PHE A 270 22.493 10.169 -6.383 1.00 0.00 O ATOM 117 CB PHE A 270 23.143 12.182 -8.649 1.00 0.00 C ATOM 118 CG PHE A 270 21.993 11.693 -9.481 1.00 0.00 C ATOM 119 CD1 PHE A 270 21.106 12.589 -10.055 1.00 0.00 C ATOM 120 CD2 PHE A 270 21.798 10.337 -9.688 1.00 0.00 C ATOM 121 CE1 PHE A 270 20.045 12.142 -10.819 1.00 0.00 C ATOM 122 CE2 PHE A 270 20.739 9.883 -10.450 1.00 0.00 C ATOM 123 CZ PHE A 270 19.861 10.787 -11.016 1.00 0.00 C ATOM 0 H PHE A 270 24.448 13.610 -6.761 1.00 0.00 H new ATOM 0 HA PHE A 270 21.700 12.558 -7.102 1.00 0.00 H new ATOM 0 HB2 PHE A 270 23.519 13.113 -9.074 1.00 0.00 H new ATOM 0 HB3 PHE A 270 23.955 11.456 -8.702 1.00 0.00 H new ATOM 0 HD1 PHE A 270 21.245 13.649 -9.904 1.00 0.00 H new ATOM 0 HD2 PHE A 270 22.482 9.626 -9.248 1.00 0.00 H new ATOM 0 HE1 PHE A 270 19.361 12.851 -11.261 1.00 0.00 H new ATOM 0 HE2 PHE A 270 20.598 8.823 -10.603 1.00 0.00 H new ATOM 0 HZ PHE A 270 19.032 10.435 -11.612 1.00 0.00 H new ATOM 133 N GLY A 271 24.263 11.322 -5.610 1.00 0.00 N ATOM 134 CA GLY A 271 24.726 10.225 -4.781 1.00 0.00 C ATOM 135 C GLY A 271 26.236 10.095 -4.779 1.00 0.00 C ATOM 136 O GLY A 271 26.771 8.987 -4.752 1.00 0.00 O ATOM 0 H GLY A 271 24.838 12.163 -5.568 1.00 0.00 H new ATOM 0 HA2 GLY A 271 24.376 10.373 -3.759 1.00 0.00 H new ATOM 0 HA3 GLY A 271 24.285 9.294 -5.137 1.00 0.00 H new ATOM 140 N ARG A 272 26.926 11.231 -4.805 1.00 0.00 N ATOM 141 CA ARG A 272 28.384 11.241 -4.803 1.00 0.00 C ATOM 142 C ARG A 272 28.939 10.174 -5.740 1.00 0.00 C ATOM 143 O ARG A 272 30.048 9.676 -5.541 1.00 0.00 O ATOM 144 CB ARG A 272 28.911 11.019 -3.385 1.00 0.00 C ATOM 145 CG ARG A 272 30.390 11.334 -3.230 1.00 0.00 C ATOM 146 CD ARG A 272 30.609 12.755 -2.738 1.00 0.00 C ATOM 147 NE ARG A 272 31.825 13.345 -3.290 1.00 0.00 N ATOM 148 CZ ARG A 272 31.866 14.011 -4.440 1.00 0.00 C ATOM 149 NH1 ARG A 272 30.765 14.156 -5.165 1.00 0.00 N ATOM 150 NH2 ARG A 272 33.011 14.527 -4.868 1.00 0.00 N ATOM 0 H ARG A 272 26.498 12.157 -4.828 1.00 0.00 H new ATOM 0 HA ARG A 272 28.717 12.216 -5.159 1.00 0.00 H new ATOM 0 HB2 ARG A 272 28.341 11.639 -2.693 1.00 0.00 H new ATOM 0 HB3 ARG A 272 28.737 9.981 -3.100 1.00 0.00 H new ATOM 0 HG2 ARG A 272 30.841 10.632 -2.529 1.00 0.00 H new ATOM 0 HG3 ARG A 272 30.894 11.197 -4.187 1.00 0.00 H new ATOM 0 HD2 ARG A 272 29.751 13.369 -3.012 1.00 0.00 H new ATOM 0 HD3 ARG A 272 30.667 12.757 -1.650 1.00 0.00 H new ATOM 0 HE ARG A 272 32.692 13.240 -2.764 1.00 0.00 H new ATOM 0 HH11 ARG A 272 29.884 13.756 -4.841 1.00 0.00 H new ATOM 0 HH12 ARG A 272 30.799 14.667 -6.047 1.00 0.00 H new ATOM 0 HH21 ARG A 272 33.860 14.413 -4.315 1.00 0.00 H new ATOM 0 HH22 ARG A 272 33.042 15.038 -5.750 1.00 0.00 H new ATOM 164 N THR A 273 28.163 9.827 -6.763 1.00 0.00 N ATOM 165 CA THR A 273 28.578 8.819 -7.732 1.00 0.00 C ATOM 166 C THR A 273 29.382 7.711 -7.059 1.00 0.00 C ATOM 167 O THR A 273 30.590 7.595 -7.262 1.00 0.00 O ATOM 168 CB THR A 273 29.407 9.461 -8.846 1.00 0.00 C ATOM 169 OG1 THR A 273 28.642 10.422 -9.550 1.00 0.00 O ATOM 170 CG2 THR A 273 29.929 8.461 -9.855 1.00 0.00 C ATOM 0 H THR A 273 27.243 10.230 -6.942 1.00 0.00 H new ATOM 0 HA THR A 273 27.679 8.379 -8.164 1.00 0.00 H new ATOM 0 HB THR A 273 30.257 9.924 -8.344 1.00 0.00 H new ATOM 0 HG1 THR A 273 29.190 10.822 -10.257 1.00 0.00 H new ATOM 0 HG21 THR A 273 30.508 8.982 -10.617 1.00 0.00 H new ATOM 0 HG22 THR A 273 30.565 7.733 -9.351 1.00 0.00 H new ATOM 0 HG23 THR A 273 29.091 7.947 -10.325 1.00 0.00 H new ATOM 178 N GLY A 274 28.701 6.901 -6.256 1.00 0.00 N ATOM 179 CA GLY A 274 29.364 5.814 -5.561 1.00 0.00 C ATOM 180 C GLY A 274 28.887 5.665 -4.130 1.00 0.00 C ATOM 181 O GLY A 274 28.966 4.582 -3.552 1.00 0.00 O ATOM 0 H GLY A 274 27.700 6.978 -6.074 1.00 0.00 H new ATOM 0 HA2 GLY A 274 29.188 4.882 -6.098 1.00 0.00 H new ATOM 0 HA3 GLY A 274 30.440 5.986 -5.566 1.00 0.00 H new ATOM 185 N LEU A 275 28.386 6.757 -3.559 1.00 0.00 N ATOM 186 CA LEU A 275 27.893 6.744 -2.185 1.00 0.00 C ATOM 187 C LEU A 275 27.195 5.424 -1.874 1.00 0.00 C ATOM 188 O LEU A 275 26.115 5.142 -2.392 1.00 0.00 O ATOM 189 CB LEU A 275 26.929 7.912 -1.956 1.00 0.00 C ATOM 190 CG LEU A 275 26.457 8.089 -0.511 1.00 0.00 C ATOM 191 CD1 LEU A 275 26.731 9.506 -0.030 1.00 0.00 C ATOM 192 CD2 LEU A 275 24.976 7.761 -0.390 1.00 0.00 C ATOM 0 H LEU A 275 28.311 7.661 -4.026 1.00 0.00 H new ATOM 0 HA LEU A 275 28.746 6.851 -1.515 1.00 0.00 H new ATOM 0 HB2 LEU A 275 27.415 8.833 -2.279 1.00 0.00 H new ATOM 0 HB3 LEU A 275 26.056 7.772 -2.593 1.00 0.00 H new ATOM 0 HG LEU A 275 27.015 7.398 0.121 1.00 0.00 H new ATOM 0 HD11 LEU A 275 26.389 9.613 0.999 1.00 0.00 H new ATOM 0 HD12 LEU A 275 27.801 9.706 -0.079 1.00 0.00 H new ATOM 0 HD13 LEU A 275 26.199 10.215 -0.665 1.00 0.00 H new ATOM 0 HD21 LEU A 275 24.658 7.892 0.644 1.00 0.00 H new ATOM 0 HD22 LEU A 275 24.402 8.427 -1.034 1.00 0.00 H new ATOM 0 HD23 LEU A 275 24.806 6.728 -0.694 1.00 0.00 H new ATOM 204 N PRO A 276 27.811 4.595 -1.019 1.00 0.00 N ATOM 205 CA PRO A 276 27.261 3.301 -0.632 1.00 0.00 C ATOM 206 C PRO A 276 26.303 3.409 0.548 1.00 0.00 C ATOM 207 O PRO A 276 25.971 4.509 0.992 1.00 0.00 O ATOM 208 CB PRO A 276 28.508 2.517 -0.241 1.00 0.00 C ATOM 209 CG PRO A 276 29.444 3.542 0.311 1.00 0.00 C ATOM 210 CD PRO A 276 29.103 4.855 -0.360 1.00 0.00 C ATOM 0 HA PRO A 276 26.673 2.841 -1.426 1.00 0.00 H new ATOM 0 HB2 PRO A 276 28.278 1.751 0.500 1.00 0.00 H new ATOM 0 HB3 PRO A 276 28.942 2.008 -1.102 1.00 0.00 H new ATOM 0 HG2 PRO A 276 29.335 3.621 1.393 1.00 0.00 H new ATOM 0 HG3 PRO A 276 30.480 3.265 0.114 1.00 0.00 H new ATOM 0 HD2 PRO A 276 29.025 5.665 0.365 1.00 0.00 H new ATOM 0 HD3 PRO A 276 29.867 5.145 -1.081 1.00 0.00 H new ATOM 218 N ASP A 277 25.861 2.263 1.052 1.00 0.00 N ATOM 219 CA ASP A 277 24.940 2.230 2.183 1.00 0.00 C ATOM 220 C ASP A 277 25.548 1.470 3.355 1.00 0.00 C ATOM 221 O ASP A 277 25.806 0.271 3.260 1.00 0.00 O ATOM 222 CB ASP A 277 23.611 1.583 1.780 1.00 0.00 C ATOM 223 CG ASP A 277 23.556 1.215 0.309 1.00 0.00 C ATOM 224 OD1 ASP A 277 23.598 2.134 -0.535 1.00 0.00 O ATOM 225 OD2 ASP A 277 23.471 0.006 0.003 1.00 0.00 O ATOM 0 H ASP A 277 26.125 1.344 0.696 1.00 0.00 H new ATOM 0 HA ASP A 277 24.753 3.259 2.491 1.00 0.00 H new ATOM 0 HB2 ASP A 277 23.452 0.687 2.380 1.00 0.00 H new ATOM 0 HB3 ASP A 277 22.795 2.268 2.009 1.00 0.00 H new ATOM 230 N LEU A 278 25.775 2.171 4.461 1.00 0.00 N ATOM 231 CA LEU A 278 26.351 1.554 5.650 1.00 0.00 C ATOM 232 C LEU A 278 25.462 1.782 6.867 1.00 0.00 C ATOM 233 O LEU A 278 25.873 1.540 8.002 1.00 0.00 O ATOM 234 CB LEU A 278 27.754 2.108 5.910 1.00 0.00 C ATOM 235 CG LEU A 278 27.815 3.316 6.844 1.00 0.00 C ATOM 236 CD1 LEU A 278 29.250 3.589 7.267 1.00 0.00 C ATOM 237 CD2 LEU A 278 27.213 4.539 6.170 1.00 0.00 C ATOM 0 H LEU A 278 25.569 3.165 4.559 1.00 0.00 H new ATOM 0 HA LEU A 278 26.422 0.481 5.474 1.00 0.00 H new ATOM 0 HB2 LEU A 278 28.369 1.312 6.331 1.00 0.00 H new ATOM 0 HB3 LEU A 278 28.201 2.385 4.955 1.00 0.00 H new ATOM 0 HG LEU A 278 27.231 3.094 7.737 1.00 0.00 H new ATOM 0 HD11 LEU A 278 29.275 4.452 7.932 1.00 0.00 H new ATOM 0 HD12 LEU A 278 29.648 2.718 7.788 1.00 0.00 H new ATOM 0 HD13 LEU A 278 29.857 3.792 6.385 1.00 0.00 H new ATOM 0 HD21 LEU A 278 27.264 5.391 6.849 1.00 0.00 H new ATOM 0 HD22 LEU A 278 27.771 4.765 5.261 1.00 0.00 H new ATOM 0 HD23 LEU A 278 26.172 4.339 5.916 1.00 0.00 H new ATOM 249 N SER A 279 24.241 2.246 6.626 1.00 0.00 N ATOM 250 CA SER A 279 23.295 2.503 7.704 1.00 0.00 C ATOM 251 C SER A 279 22.965 1.222 8.462 1.00 0.00 C ATOM 252 O SER A 279 22.581 1.261 9.631 1.00 0.00 O ATOM 253 CB SER A 279 22.011 3.122 7.148 1.00 0.00 C ATOM 254 OG SER A 279 22.160 4.518 6.953 1.00 0.00 O ATOM 0 H SER A 279 23.883 2.452 5.693 1.00 0.00 H new ATOM 0 HA SER A 279 23.760 3.203 8.398 1.00 0.00 H new ATOM 0 HB2 SER A 279 21.754 2.645 6.202 1.00 0.00 H new ATOM 0 HB3 SER A 279 21.186 2.934 7.835 1.00 0.00 H new ATOM 0 HG SER A 279 21.326 4.889 6.596 1.00 0.00 H new ATOM 260 N SER A 280 23.113 0.084 7.789 1.00 0.00 N ATOM 261 CA SER A 280 22.824 -1.207 8.403 1.00 0.00 C ATOM 262 C SER A 280 24.002 -2.167 8.261 1.00 0.00 C ATOM 263 O SER A 280 23.991 -3.261 8.825 1.00 0.00 O ATOM 264 CB SER A 280 21.573 -1.824 7.774 1.00 0.00 C ATOM 265 OG SER A 280 21.568 -1.649 6.369 1.00 0.00 O ATOM 0 H SER A 280 23.430 0.030 6.821 1.00 0.00 H new ATOM 0 HA SER A 280 22.649 -1.038 9.466 1.00 0.00 H new ATOM 0 HB2 SER A 280 21.530 -2.887 8.011 1.00 0.00 H new ATOM 0 HB3 SER A 280 20.682 -1.365 8.204 1.00 0.00 H new ATOM 0 HG SER A 280 20.759 -2.054 5.992 1.00 0.00 H new ATOM 271 N MET A 281 25.019 -1.757 7.508 1.00 0.00 N ATOM 272 CA MET A 281 26.198 -2.591 7.305 1.00 0.00 C ATOM 273 C MET A 281 27.278 -2.255 8.328 1.00 0.00 C ATOM 274 O MET A 281 28.067 -3.112 8.715 1.00 0.00 O ATOM 275 CB MET A 281 26.737 -2.419 5.885 1.00 0.00 C ATOM 276 CG MET A 281 26.014 -3.274 4.858 1.00 0.00 C ATOM 277 SD MET A 281 24.997 -2.303 3.731 1.00 0.00 S ATOM 278 CE MET A 281 24.014 -1.357 4.891 1.00 0.00 C ATOM 0 H MET A 281 25.050 -0.856 7.031 1.00 0.00 H new ATOM 0 HA MET A 281 25.907 -3.633 7.442 1.00 0.00 H new ATOM 0 HB2 MET A 281 26.654 -1.371 5.597 1.00 0.00 H new ATOM 0 HB3 MET A 281 27.798 -2.670 5.874 1.00 0.00 H new ATOM 0 HG2 MET A 281 26.747 -3.840 4.283 1.00 0.00 H new ATOM 0 HG3 MET A 281 25.385 -3.999 5.374 1.00 0.00 H new ATOM 0 HE1 MET A 281 23.070 -1.077 4.424 1.00 0.00 H new ATOM 0 HE2 MET A 281 23.816 -1.960 5.777 1.00 0.00 H new ATOM 0 HE3 MET A 281 24.557 -0.457 5.179 1.00 0.00 H new ATOM 288 N THR A 282 27.287 -1.001 8.765 1.00 0.00 N ATOM 289 CA THR A 282 28.247 -0.517 9.760 1.00 0.00 C ATOM 290 C THR A 282 29.530 -1.346 9.785 1.00 0.00 C ATOM 291 O THR A 282 30.519 -0.997 9.144 1.00 0.00 O ATOM 292 CB THR A 282 27.607 -0.526 11.148 1.00 0.00 C ATOM 293 OG1 THR A 282 28.576 -0.788 12.147 1.00 0.00 O ATOM 294 CG2 THR A 282 26.508 -1.555 11.296 1.00 0.00 C ATOM 0 H THR A 282 26.632 -0.289 8.442 1.00 0.00 H new ATOM 0 HA THR A 282 28.518 0.500 9.476 1.00 0.00 H new ATOM 0 HB THR A 282 27.172 0.466 11.269 1.00 0.00 H new ATOM 0 HG1 THR A 282 28.146 -0.788 13.028 1.00 0.00 H new ATOM 0 HG21 THR A 282 26.098 -1.507 12.305 1.00 0.00 H new ATOM 0 HG22 THR A 282 25.718 -1.351 10.573 1.00 0.00 H new ATOM 0 HG23 THR A 282 26.915 -2.550 11.117 1.00 0.00 H new ATOM 302 N GLU A 283 29.502 -2.436 10.546 1.00 0.00 N ATOM 303 CA GLU A 283 30.654 -3.319 10.684 1.00 0.00 C ATOM 304 C GLU A 283 31.093 -3.870 9.334 1.00 0.00 C ATOM 305 O GLU A 283 32.225 -3.662 8.915 1.00 0.00 O ATOM 306 CB GLU A 283 30.326 -4.472 11.635 1.00 0.00 C ATOM 307 CG GLU A 283 30.547 -4.134 13.101 1.00 0.00 C ATOM 308 CD GLU A 283 31.508 -5.089 13.781 1.00 0.00 C ATOM 309 OE1 GLU A 283 31.416 -6.308 13.524 1.00 0.00 O ATOM 310 OE2 GLU A 283 32.353 -4.619 14.573 1.00 0.00 O ATOM 0 H GLU A 283 28.685 -2.730 11.081 1.00 0.00 H new ATOM 0 HA GLU A 283 31.476 -2.734 11.097 1.00 0.00 H new ATOM 0 HB2 GLU A 283 29.286 -4.766 11.491 1.00 0.00 H new ATOM 0 HB3 GLU A 283 30.940 -5.334 11.373 1.00 0.00 H new ATOM 0 HG2 GLU A 283 30.933 -3.118 13.182 1.00 0.00 H new ATOM 0 HG3 GLU A 283 29.590 -4.154 13.623 1.00 0.00 H new ATOM 317 N GLU A 284 30.192 -4.579 8.663 1.00 0.00 N ATOM 318 CA GLU A 284 30.496 -5.162 7.360 1.00 0.00 C ATOM 319 C GLU A 284 30.797 -4.077 6.329 1.00 0.00 C ATOM 320 O GLU A 284 31.432 -4.339 5.310 1.00 0.00 O ATOM 321 CB GLU A 284 29.331 -6.033 6.879 1.00 0.00 C ATOM 322 CG GLU A 284 28.129 -5.232 6.402 1.00 0.00 C ATOM 323 CD GLU A 284 26.908 -6.100 6.161 1.00 0.00 C ATOM 324 OE1 GLU A 284 27.058 -7.181 5.554 1.00 0.00 O ATOM 325 OE2 GLU A 284 25.803 -5.696 6.579 1.00 0.00 O ATOM 0 H GLU A 284 29.247 -4.764 8.998 1.00 0.00 H new ATOM 0 HA GLU A 284 31.383 -5.785 7.471 1.00 0.00 H new ATOM 0 HB2 GLU A 284 29.677 -6.672 6.066 1.00 0.00 H new ATOM 0 HB3 GLU A 284 29.020 -6.690 7.691 1.00 0.00 H new ATOM 0 HG2 GLU A 284 27.888 -4.470 7.143 1.00 0.00 H new ATOM 0 HG3 GLU A 284 28.387 -4.710 5.480 1.00 0.00 H new ATOM 332 N GLU A 285 30.349 -2.856 6.602 1.00 0.00 N ATOM 333 CA GLU A 285 30.594 -1.741 5.693 1.00 0.00 C ATOM 334 C GLU A 285 31.940 -1.094 6.003 1.00 0.00 C ATOM 335 O GLU A 285 32.538 -0.442 5.148 1.00 0.00 O ATOM 336 CB GLU A 285 29.476 -0.700 5.785 1.00 0.00 C ATOM 337 CG GLU A 285 28.976 -0.224 4.428 1.00 0.00 C ATOM 338 CD GLU A 285 28.841 -1.352 3.423 1.00 0.00 C ATOM 339 OE1 GLU A 285 27.814 -2.063 3.463 1.00 0.00 O ATOM 340 OE2 GLU A 285 29.759 -1.522 2.594 1.00 0.00 O ATOM 0 H GLU A 285 29.818 -2.614 7.439 1.00 0.00 H new ATOM 0 HA GLU A 285 30.612 -2.132 4.676 1.00 0.00 H new ATOM 0 HB2 GLU A 285 28.641 -1.124 6.343 1.00 0.00 H new ATOM 0 HB3 GLU A 285 29.835 0.158 6.352 1.00 0.00 H new ATOM 0 HG2 GLU A 285 28.009 0.263 4.553 1.00 0.00 H new ATOM 0 HG3 GLU A 285 29.663 0.526 4.035 1.00 0.00 H new ATOM 347 N GLN A 286 32.419 -1.301 7.226 1.00 0.00 N ATOM 348 CA GLN A 286 33.706 -0.761 7.646 1.00 0.00 C ATOM 349 C GLN A 286 34.807 -1.742 7.270 1.00 0.00 C ATOM 350 O GLN A 286 35.946 -1.356 7.001 1.00 0.00 O ATOM 351 CB GLN A 286 33.717 -0.502 9.155 1.00 0.00 C ATOM 352 CG GLN A 286 33.971 0.951 9.520 1.00 0.00 C ATOM 353 CD GLN A 286 32.696 1.699 9.855 1.00 0.00 C ATOM 354 OE1 GLN A 286 32.677 2.550 10.746 1.00 0.00 O ATOM 355 NE2 GLN A 286 31.621 1.386 9.141 1.00 0.00 N ATOM 0 H GLN A 286 31.934 -1.840 7.944 1.00 0.00 H new ATOM 0 HA GLN A 286 33.877 0.189 7.140 1.00 0.00 H new ATOM 0 HB2 GLN A 286 32.760 -0.812 9.576 1.00 0.00 H new ATOM 0 HB3 GLN A 286 34.484 -1.124 9.616 1.00 0.00 H new ATOM 0 HG2 GLN A 286 34.648 0.994 10.373 1.00 0.00 H new ATOM 0 HG3 GLN A 286 34.472 1.448 8.689 1.00 0.00 H new ATOM 0 HE21 GLN A 286 31.682 0.675 8.412 1.00 0.00 H new ATOM 0 HE22 GLN A 286 30.734 1.857 9.321 1.00 0.00 H new ATOM 364 N ILE A 287 34.434 -3.015 7.218 1.00 0.00 N ATOM 365 CA ILE A 287 35.350 -4.071 6.839 1.00 0.00 C ATOM 366 C ILE A 287 35.449 -4.096 5.330 1.00 0.00 C ATOM 367 O ILE A 287 36.517 -4.311 4.757 1.00 0.00 O ATOM 368 CB ILE A 287 34.873 -5.438 7.349 1.00 0.00 C ATOM 369 CG1 ILE A 287 33.551 -5.818 6.695 1.00 0.00 C ATOM 370 CG2 ILE A 287 34.742 -5.419 8.863 1.00 0.00 C ATOM 371 CD1 ILE A 287 33.708 -6.402 5.306 1.00 0.00 C ATOM 0 H ILE A 287 33.492 -3.338 7.437 1.00 0.00 H new ATOM 0 HA ILE A 287 36.324 -3.874 7.287 1.00 0.00 H new ATOM 0 HB ILE A 287 35.614 -6.191 7.079 1.00 0.00 H new ATOM 0 HG12 ILE A 287 33.036 -6.541 7.328 1.00 0.00 H new ATOM 0 HG13 ILE A 287 32.916 -4.934 6.639 1.00 0.00 H new ATOM 0 HG21 ILE A 287 34.403 -6.395 9.211 1.00 0.00 H new ATOM 0 HG22 ILE A 287 35.710 -5.191 9.309 1.00 0.00 H new ATOM 0 HG23 ILE A 287 34.019 -4.658 9.156 1.00 0.00 H new ATOM 0 HD11 ILE A 287 32.726 -6.649 4.902 1.00 0.00 H new ATOM 0 HD12 ILE A 287 34.194 -5.673 4.658 1.00 0.00 H new ATOM 0 HD13 ILE A 287 34.317 -7.305 5.358 1.00 0.00 H new ATOM 383 N ALA A 288 34.315 -3.821 4.697 1.00 0.00 N ATOM 384 CA ALA A 288 34.243 -3.752 3.255 1.00 0.00 C ATOM 385 C ALA A 288 34.972 -2.498 2.801 1.00 0.00 C ATOM 386 O ALA A 288 35.733 -2.511 1.831 1.00 0.00 O ATOM 387 CB ALA A 288 32.789 -3.735 2.804 1.00 0.00 C ATOM 0 H ALA A 288 33.429 -3.642 5.170 1.00 0.00 H new ATOM 0 HA ALA A 288 34.715 -4.627 2.808 1.00 0.00 H new ATOM 0 HB1 ALA A 288 32.746 -3.683 1.716 1.00 0.00 H new ATOM 0 HB2 ALA A 288 32.292 -4.644 3.144 1.00 0.00 H new ATOM 0 HB3 ALA A 288 32.286 -2.866 3.229 1.00 0.00 H new ATOM 393 N TYR A 289 34.764 -1.416 3.550 1.00 0.00 N ATOM 394 CA TYR A 289 35.430 -0.159 3.252 1.00 0.00 C ATOM 395 C TYR A 289 36.928 -0.397 3.198 1.00 0.00 C ATOM 396 O TYR A 289 37.601 -0.007 2.242 1.00 0.00 O ATOM 397 CB TYR A 289 35.098 0.893 4.310 1.00 0.00 C ATOM 398 CG TYR A 289 33.755 1.558 4.104 1.00 0.00 C ATOM 399 CD1 TYR A 289 32.905 1.144 3.087 1.00 0.00 C ATOM 400 CD2 TYR A 289 33.336 2.596 4.928 1.00 0.00 C ATOM 401 CE1 TYR A 289 31.675 1.745 2.896 1.00 0.00 C ATOM 402 CE2 TYR A 289 32.108 3.202 4.742 1.00 0.00 C ATOM 403 CZ TYR A 289 31.282 2.773 3.725 1.00 0.00 C ATOM 404 OH TYR A 289 30.057 3.372 3.537 1.00 0.00 O ATOM 0 H TYR A 289 34.144 -1.389 4.360 1.00 0.00 H new ATOM 0 HA TYR A 289 35.082 0.214 2.289 1.00 0.00 H new ATOM 0 HB2 TYR A 289 35.115 0.424 5.294 1.00 0.00 H new ATOM 0 HB3 TYR A 289 35.876 1.656 4.308 1.00 0.00 H new ATOM 0 HD1 TYR A 289 33.210 0.339 2.435 1.00 0.00 H new ATOM 0 HD2 TYR A 289 33.980 2.934 5.726 1.00 0.00 H new ATOM 0 HE1 TYR A 289 31.025 1.410 2.101 1.00 0.00 H new ATOM 0 HE2 TYR A 289 31.797 4.008 5.390 1.00 0.00 H new ATOM 0 HH TYR A 289 29.932 4.078 4.205 1.00 0.00 H new ATOM 414 N ALA A 290 37.443 -1.071 4.224 1.00 0.00 N ATOM 415 CA ALA A 290 38.858 -1.395 4.278 1.00 0.00 C ATOM 416 C ALA A 290 39.239 -2.208 3.051 1.00 0.00 C ATOM 417 O ALA A 290 40.307 -2.019 2.470 1.00 0.00 O ATOM 418 CB ALA A 290 39.186 -2.156 5.553 1.00 0.00 C ATOM 0 H ALA A 290 36.901 -1.400 5.023 1.00 0.00 H new ATOM 0 HA ALA A 290 39.436 -0.471 4.285 1.00 0.00 H new ATOM 0 HB1 ALA A 290 40.251 -2.389 5.574 1.00 0.00 H new ATOM 0 HB2 ALA A 290 38.932 -1.543 6.418 1.00 0.00 H new ATOM 0 HB3 ALA A 290 38.611 -3.082 5.582 1.00 0.00 H new ATOM 424 N MET A 291 38.340 -3.107 2.648 1.00 0.00 N ATOM 425 CA MET A 291 38.573 -3.934 1.472 1.00 0.00 C ATOM 426 C MET A 291 38.940 -3.046 0.288 1.00 0.00 C ATOM 427 O MET A 291 39.783 -3.401 -0.536 1.00 0.00 O ATOM 428 CB MET A 291 37.328 -4.781 1.154 1.00 0.00 C ATOM 429 CG MET A 291 36.446 -4.218 0.045 1.00 0.00 C ATOM 430 SD MET A 291 34.693 -4.550 0.304 1.00 0.00 S ATOM 431 CE MET A 291 33.994 -2.924 0.016 1.00 0.00 C ATOM 0 H MET A 291 37.451 -3.278 3.118 1.00 0.00 H new ATOM 0 HA MET A 291 39.400 -4.615 1.672 1.00 0.00 H new ATOM 0 HB2 MET A 291 37.649 -5.784 0.872 1.00 0.00 H new ATOM 0 HB3 MET A 291 36.731 -4.881 2.060 1.00 0.00 H new ATOM 0 HG2 MET A 291 36.600 -3.141 -0.023 1.00 0.00 H new ATOM 0 HG3 MET A 291 36.754 -4.645 -0.909 1.00 0.00 H new ATOM 0 HE1 MET A 291 33.535 -2.558 0.934 1.00 0.00 H new ATOM 0 HE2 MET A 291 34.783 -2.239 -0.294 1.00 0.00 H new ATOM 0 HE3 MET A 291 33.239 -2.986 -0.768 1.00 0.00 H new ATOM 441 N GLN A 292 38.299 -1.882 0.221 1.00 0.00 N ATOM 442 CA GLN A 292 38.552 -0.928 -0.851 1.00 0.00 C ATOM 443 C GLN A 292 39.927 -0.289 -0.684 1.00 0.00 C ATOM 444 O GLN A 292 40.685 -0.166 -1.645 1.00 0.00 O ATOM 445 CB GLN A 292 37.470 0.154 -0.865 1.00 0.00 C ATOM 446 CG GLN A 292 37.895 1.429 -1.577 1.00 0.00 C ATOM 447 CD GLN A 292 36.860 2.532 -1.468 1.00 0.00 C ATOM 448 OE1 GLN A 292 36.702 3.150 -0.416 1.00 0.00 O ATOM 449 NE2 GLN A 292 36.147 2.785 -2.560 1.00 0.00 N ATOM 0 H GLN A 292 37.600 -1.578 0.898 1.00 0.00 H new ATOM 0 HA GLN A 292 38.528 -1.463 -1.800 1.00 0.00 H new ATOM 0 HB2 GLN A 292 36.577 -0.242 -1.349 1.00 0.00 H new ATOM 0 HB3 GLN A 292 37.195 0.395 0.162 1.00 0.00 H new ATOM 0 HG2 GLN A 292 38.838 1.778 -1.156 1.00 0.00 H new ATOM 0 HG3 GLN A 292 38.077 1.210 -2.629 1.00 0.00 H new ATOM 0 HE21 GLN A 292 36.311 2.248 -3.412 1.00 0.00 H new ATOM 0 HE22 GLN A 292 35.436 3.516 -2.547 1.00 0.00 H new ATOM 458 N MET A 293 40.240 0.112 0.544 1.00 0.00 N ATOM 459 CA MET A 293 41.524 0.736 0.841 1.00 0.00 C ATOM 460 C MET A 293 42.679 -0.188 0.463 1.00 0.00 C ATOM 461 O MET A 293 43.790 0.269 0.194 1.00 0.00 O ATOM 462 CB MET A 293 41.610 1.094 2.327 1.00 0.00 C ATOM 463 CG MET A 293 42.073 -0.058 3.204 1.00 0.00 C ATOM 464 SD MET A 293 43.700 0.229 3.927 1.00 0.00 S ATOM 465 CE MET A 293 44.385 -1.425 3.881 1.00 0.00 C ATOM 0 H MET A 293 39.622 0.016 1.350 1.00 0.00 H new ATOM 0 HA MET A 293 41.601 1.648 0.249 1.00 0.00 H new ATOM 0 HB2 MET A 293 42.295 1.933 2.451 1.00 0.00 H new ATOM 0 HB3 MET A 293 40.631 1.429 2.669 1.00 0.00 H new ATOM 0 HG2 MET A 293 41.348 -0.216 4.002 1.00 0.00 H new ATOM 0 HG3 MET A 293 42.099 -0.973 2.612 1.00 0.00 H new ATOM 0 HE1 MET A 293 45.085 -1.552 4.707 1.00 0.00 H new ATOM 0 HE2 MET A 293 43.580 -2.155 3.972 1.00 0.00 H new ATOM 0 HE3 MET A 293 44.907 -1.576 2.936 1.00 0.00 H new ATOM 475 N SER A 294 42.408 -1.489 0.446 1.00 0.00 N ATOM 476 CA SER A 294 43.423 -2.477 0.102 1.00 0.00 C ATOM 477 C SER A 294 43.339 -2.854 -1.373 1.00 0.00 C ATOM 478 O SER A 294 44.313 -3.324 -1.962 1.00 0.00 O ATOM 479 CB SER A 294 43.260 -3.729 0.967 1.00 0.00 C ATOM 480 OG SER A 294 44.322 -3.848 1.899 1.00 0.00 O ATOM 0 H SER A 294 41.494 -1.883 0.667 1.00 0.00 H new ATOM 0 HA SER A 294 44.401 -2.035 0.292 1.00 0.00 H new ATOM 0 HB2 SER A 294 42.309 -3.686 1.498 1.00 0.00 H new ATOM 0 HB3 SER A 294 43.230 -4.613 0.330 1.00 0.00 H new ATOM 0 HG SER A 294 44.193 -4.655 2.440 1.00 0.00 H new ATOM 486 N LEU A 295 42.170 -2.641 -1.966 1.00 0.00 N ATOM 487 CA LEU A 295 41.957 -2.956 -3.373 1.00 0.00 C ATOM 488 C LEU A 295 41.801 -1.682 -4.195 1.00 0.00 C ATOM 489 O LEU A 295 40.975 -1.616 -5.107 1.00 0.00 O ATOM 490 CB LEU A 295 40.719 -3.840 -3.539 1.00 0.00 C ATOM 491 CG LEU A 295 40.932 -5.104 -4.374 1.00 0.00 C ATOM 492 CD1 LEU A 295 41.957 -6.014 -3.714 1.00 0.00 C ATOM 493 CD2 LEU A 295 39.613 -5.838 -4.571 1.00 0.00 C ATOM 0 H LEU A 295 41.355 -2.251 -1.493 1.00 0.00 H new ATOM 0 HA LEU A 295 42.831 -3.498 -3.736 1.00 0.00 H new ATOM 0 HB2 LEU A 295 40.365 -4.132 -2.550 1.00 0.00 H new ATOM 0 HB3 LEU A 295 39.928 -3.248 -3.999 1.00 0.00 H new ATOM 0 HG LEU A 295 41.314 -4.812 -5.352 1.00 0.00 H new ATOM 0 HD11 LEU A 295 42.095 -6.908 -4.322 1.00 0.00 H new ATOM 0 HD12 LEU A 295 42.907 -5.487 -3.623 1.00 0.00 H new ATOM 0 HD13 LEU A 295 41.605 -6.300 -2.723 1.00 0.00 H new ATOM 0 HD21 LEU A 295 39.781 -6.735 -5.167 1.00 0.00 H new ATOM 0 HD22 LEU A 295 39.204 -6.119 -3.600 1.00 0.00 H new ATOM 0 HD23 LEU A 295 38.908 -5.187 -5.087 1.00 0.00 H new ATOM 505 N GLN A 296 42.600 -0.672 -3.869 1.00 0.00 N ATOM 506 CA GLN A 296 42.550 0.601 -4.578 1.00 0.00 C ATOM 507 C GLN A 296 43.051 0.448 -6.011 1.00 0.00 C ATOM 508 O GLN A 296 42.949 1.373 -6.816 1.00 0.00 O ATOM 509 CB GLN A 296 43.385 1.652 -3.844 1.00 0.00 C ATOM 510 CG GLN A 296 44.885 1.456 -4.002 1.00 0.00 C ATOM 511 CD GLN A 296 45.664 2.743 -3.817 1.00 0.00 C ATOM 512 OE1 GLN A 296 45.307 3.586 -2.995 1.00 0.00 O ATOM 513 NE2 GLN A 296 46.736 2.902 -4.585 1.00 0.00 N ATOM 0 H GLN A 296 43.290 -0.710 -3.119 1.00 0.00 H new ATOM 0 HA GLN A 296 41.511 0.929 -4.609 1.00 0.00 H new ATOM 0 HB2 GLN A 296 43.115 2.641 -4.214 1.00 0.00 H new ATOM 0 HB3 GLN A 296 43.133 1.628 -2.784 1.00 0.00 H new ATOM 0 HG2 GLN A 296 45.230 0.719 -3.276 1.00 0.00 H new ATOM 0 HG3 GLN A 296 45.092 1.049 -4.992 1.00 0.00 H new ATOM 0 HE21 GLN A 296 46.996 2.177 -5.254 1.00 0.00 H new ATOM 0 HE22 GLN A 296 47.299 3.749 -4.506 1.00 0.00 H new ATOM 522 N GLY A 297 43.595 -0.724 -6.322 1.00 0.00 N ATOM 523 CA GLY A 297 44.103 -0.974 -7.658 1.00 0.00 C ATOM 524 C GLY A 297 45.618 -0.971 -7.712 1.00 0.00 C ATOM 525 O GLY A 297 46.232 0.048 -8.028 1.00 0.00 O ATOM 0 H GLY A 297 43.693 -1.505 -5.673 1.00 0.00 H new ATOM 0 HA2 GLY A 297 43.732 -1.936 -8.010 1.00 0.00 H new ATOM 0 HA3 GLY A 297 43.717 -0.215 -8.338 1.00 0.00 H new ATOM 529 N ALA A 298 46.222 -2.113 -7.403 1.00 0.00 N ATOM 530 CA ALA A 298 47.674 -2.239 -7.418 1.00 0.00 C ATOM 531 C ALA A 298 48.105 -3.553 -8.060 1.00 0.00 C ATOM 532 O ALA A 298 48.983 -3.575 -8.923 1.00 0.00 O ATOM 533 CB ALA A 298 48.226 -2.132 -6.003 1.00 0.00 C ATOM 0 H ALA A 298 45.728 -2.965 -7.139 1.00 0.00 H new ATOM 0 HA ALA A 298 48.080 -1.424 -8.017 1.00 0.00 H new ATOM 0 HB1 ALA A 298 49.312 -2.228 -6.028 1.00 0.00 H new ATOM 0 HB2 ALA A 298 47.957 -1.164 -5.580 1.00 0.00 H new ATOM 0 HB3 ALA A 298 47.806 -2.927 -5.387 1.00 0.00 H new ATOM 539 N GLU A 299 47.481 -4.647 -7.633 1.00 0.00 N ATOM 540 CA GLU A 299 47.799 -5.967 -8.168 1.00 0.00 C ATOM 541 C GLU A 299 46.927 -7.038 -7.521 1.00 0.00 C ATOM 542 O GLU A 299 46.037 -7.599 -8.162 1.00 0.00 O ATOM 543 CB GLU A 299 49.277 -6.293 -7.941 1.00 0.00 C ATOM 544 CG GLU A 299 49.834 -5.737 -6.641 1.00 0.00 C ATOM 545 CD GLU A 299 51.281 -5.301 -6.765 1.00 0.00 C ATOM 546 OE1 GLU A 299 51.553 -4.364 -7.545 1.00 0.00 O ATOM 547 OE2 GLU A 299 52.142 -5.897 -6.085 1.00 0.00 O ATOM 0 H GLU A 299 46.753 -4.646 -6.919 1.00 0.00 H new ATOM 0 HA GLU A 299 47.598 -5.955 -9.239 1.00 0.00 H new ATOM 0 HB2 GLU A 299 49.406 -7.375 -7.947 1.00 0.00 H new ATOM 0 HB3 GLU A 299 49.859 -5.898 -8.774 1.00 0.00 H new ATOM 0 HG2 GLU A 299 49.228 -4.888 -6.325 1.00 0.00 H new ATOM 0 HG3 GLU A 299 49.752 -6.495 -5.862 1.00 0.00 H new ATOM 554 N PHE A 300 47.187 -7.317 -6.248 1.00 0.00 N ATOM 555 CA PHE A 300 46.426 -8.319 -5.513 1.00 0.00 C ATOM 556 C PHE A 300 45.676 -7.681 -4.348 1.00 0.00 C ATOM 557 O PHE A 300 44.454 -7.541 -4.388 1.00 0.00 O ATOM 558 CB PHE A 300 47.359 -9.418 -4.997 1.00 0.00 C ATOM 559 CG PHE A 300 46.776 -10.225 -3.873 1.00 0.00 C ATOM 560 CD1 PHE A 300 45.730 -11.104 -4.105 1.00 0.00 C ATOM 561 CD2 PHE A 300 47.273 -10.104 -2.586 1.00 0.00 C ATOM 562 CE1 PHE A 300 45.192 -11.849 -3.073 1.00 0.00 C ATOM 563 CE2 PHE A 300 46.740 -10.846 -1.550 1.00 0.00 C ATOM 564 CZ PHE A 300 45.698 -11.719 -1.792 1.00 0.00 C ATOM 0 H PHE A 300 47.920 -6.862 -5.704 1.00 0.00 H new ATOM 0 HA PHE A 300 45.697 -8.761 -6.192 1.00 0.00 H new ATOM 0 HB2 PHE A 300 47.609 -10.086 -5.821 1.00 0.00 H new ATOM 0 HB3 PHE A 300 48.291 -8.963 -4.661 1.00 0.00 H new ATOM 0 HD1 PHE A 300 45.331 -11.208 -5.103 1.00 0.00 H new ATOM 0 HD2 PHE A 300 48.087 -9.422 -2.390 1.00 0.00 H new ATOM 0 HE1 PHE A 300 44.378 -12.532 -3.266 1.00 0.00 H new ATOM 0 HE2 PHE A 300 47.138 -10.743 -0.551 1.00 0.00 H new ATOM 0 HZ PHE A 300 45.279 -12.299 -0.983 1.00 0.00 H new ATOM 574 N GLY A 301 46.415 -7.292 -3.316 1.00 0.00 N ATOM 575 CA GLY A 301 45.803 -6.668 -2.157 1.00 0.00 C ATOM 576 C GLY A 301 45.003 -7.648 -1.320 1.00 0.00 C ATOM 577 O GLY A 301 44.236 -8.449 -1.853 1.00 0.00 O ATOM 0 H GLY A 301 47.428 -7.397 -3.261 1.00 0.00 H new ATOM 0 HA2 GLY A 301 46.580 -6.218 -1.539 1.00 0.00 H new ATOM 0 HA3 GLY A 301 45.150 -5.860 -2.487 1.00 0.00 H new ATOM 581 N GLN A 302 45.185 -7.580 -0.004 1.00 0.00 N ATOM 582 CA GLN A 302 44.479 -8.462 0.916 1.00 0.00 C ATOM 583 C GLN A 302 43.005 -8.583 0.533 1.00 0.00 C ATOM 584 O GLN A 302 42.164 -7.820 1.008 1.00 0.00 O ATOM 585 CB GLN A 302 44.617 -7.942 2.353 1.00 0.00 C ATOM 586 CG GLN A 302 43.454 -8.312 3.261 1.00 0.00 C ATOM 587 CD GLN A 302 43.886 -8.556 4.693 1.00 0.00 C ATOM 588 OE1 GLN A 302 44.232 -9.677 5.067 1.00 0.00 O ATOM 589 NE2 GLN A 302 43.867 -7.506 5.504 1.00 0.00 N ATOM 0 H GLN A 302 45.818 -6.920 0.449 1.00 0.00 H new ATOM 0 HA GLN A 302 44.927 -9.454 0.854 1.00 0.00 H new ATOM 0 HB2 GLN A 302 45.539 -8.334 2.783 1.00 0.00 H new ATOM 0 HB3 GLN A 302 44.713 -6.857 2.328 1.00 0.00 H new ATOM 0 HG2 GLN A 302 42.713 -7.513 3.240 1.00 0.00 H new ATOM 0 HG3 GLN A 302 42.967 -9.208 2.875 1.00 0.00 H new ATOM 0 HE21 GLN A 302 43.573 -6.595 5.152 1.00 0.00 H new ATOM 0 HE22 GLN A 302 44.146 -7.610 6.480 1.00 0.00 H new ATOM 598 N ALA A 303 42.703 -9.549 -0.327 1.00 0.00 N ATOM 599 CA ALA A 303 41.335 -9.776 -0.775 1.00 0.00 C ATOM 600 C ALA A 303 40.882 -11.200 -0.463 1.00 0.00 C ATOM 601 O ALA A 303 39.714 -11.544 -0.645 1.00 0.00 O ATOM 602 CB ALA A 303 41.214 -9.497 -2.266 1.00 0.00 C ATOM 0 H ALA A 303 43.389 -10.188 -0.728 1.00 0.00 H new ATOM 0 HA ALA A 303 40.684 -9.089 -0.234 1.00 0.00 H new ATOM 0 HB1 ALA A 303 40.187 -9.671 -2.586 1.00 0.00 H new ATOM 0 HB2 ALA A 303 41.486 -8.460 -2.465 1.00 0.00 H new ATOM 0 HB3 ALA A 303 41.883 -10.160 -2.816 1.00 0.00 H new ATOM 608 N GLU A 304 41.814 -12.026 0.005 1.00 0.00 N ATOM 609 CA GLU A 304 41.508 -13.411 0.341 1.00 0.00 C ATOM 610 C GLU A 304 40.812 -13.504 1.696 1.00 0.00 C ATOM 611 O GLU A 304 39.897 -14.306 1.881 1.00 0.00 O ATOM 612 CB GLU A 304 42.787 -14.251 0.353 1.00 0.00 C ATOM 613 CG GLU A 304 42.560 -15.713 0.003 1.00 0.00 C ATOM 614 CD GLU A 304 42.705 -16.628 1.204 1.00 0.00 C ATOM 615 OE1 GLU A 304 41.889 -16.513 2.142 1.00 0.00 O ATOM 616 OE2 GLU A 304 43.636 -17.462 1.205 1.00 0.00 O ATOM 0 H GLU A 304 42.786 -11.759 0.160 1.00 0.00 H new ATOM 0 HA GLU A 304 40.833 -13.801 -0.421 1.00 0.00 H new ATOM 0 HB2 GLU A 304 43.499 -13.824 -0.353 1.00 0.00 H new ATOM 0 HB3 GLU A 304 43.243 -14.189 1.341 1.00 0.00 H new ATOM 0 HG2 GLU A 304 41.563 -15.831 -0.421 1.00 0.00 H new ATOM 0 HG3 GLU A 304 43.271 -16.014 -0.766 1.00 0.00 H new ATOM 623 N SER A 305 41.253 -12.679 2.641 1.00 0.00 N ATOM 624 CA SER A 305 40.673 -12.670 3.980 1.00 0.00 C ATOM 625 C SER A 305 39.171 -12.923 3.926 1.00 0.00 C ATOM 626 O SER A 305 38.511 -12.593 2.939 1.00 0.00 O ATOM 627 CB SER A 305 40.949 -11.333 4.670 1.00 0.00 C ATOM 628 OG SER A 305 42.038 -10.660 4.064 1.00 0.00 O ATOM 0 H SER A 305 42.009 -12.009 2.505 1.00 0.00 H new ATOM 0 HA SER A 305 41.139 -13.472 4.553 1.00 0.00 H new ATOM 0 HB2 SER A 305 40.059 -10.706 4.623 1.00 0.00 H new ATOM 0 HB3 SER A 305 41.164 -11.503 5.725 1.00 0.00 H new ATOM 0 HG SER A 305 42.816 -10.694 4.659 1.00 0.00 H new ATOM 634 N ALA A 306 38.635 -13.509 4.991 1.00 0.00 N ATOM 635 CA ALA A 306 37.211 -13.805 5.066 1.00 0.00 C ATOM 636 C ALA A 306 36.388 -12.524 5.151 1.00 0.00 C ATOM 637 O ALA A 306 36.300 -11.899 6.209 1.00 0.00 O ATOM 638 CB ALA A 306 36.920 -14.701 6.260 1.00 0.00 C ATOM 0 H ALA A 306 39.167 -13.788 5.815 1.00 0.00 H new ATOM 0 HA ALA A 306 36.926 -14.330 4.154 1.00 0.00 H new ATOM 0 HB1 ALA A 306 35.852 -14.914 6.303 1.00 0.00 H new ATOM 0 HB2 ALA A 306 37.472 -15.635 6.157 1.00 0.00 H new ATOM 0 HB3 ALA A 306 37.227 -14.197 7.176 1.00 0.00 H new ATOM 644 N ASP A 307 35.787 -12.139 4.031 1.00 0.00 N ATOM 645 CA ASP A 307 34.969 -10.933 3.977 1.00 0.00 C ATOM 646 C ASP A 307 33.845 -10.995 5.006 1.00 0.00 C ATOM 647 O ASP A 307 33.720 -12.036 5.684 1.00 0.00 O ATOM 648 CB ASP A 307 34.386 -10.752 2.575 1.00 0.00 C ATOM 649 CG ASP A 307 35.458 -10.500 1.533 1.00 0.00 C ATOM 650 OD1 ASP A 307 36.417 -11.297 1.463 1.00 0.00 O ATOM 651 OD2 ASP A 307 35.339 -9.506 0.787 1.00 0.00 O ATOM 652 OXT ASP A 307 33.099 -9.999 5.127 1.00 0.00 O ATOM 0 H ASP A 307 35.851 -12.645 3.148 1.00 0.00 H new ATOM 0 HA ASP A 307 35.604 -10.079 4.211 1.00 0.00 H new ATOM 0 HB2 ASP A 307 33.820 -11.642 2.302 1.00 0.00 H new ATOM 0 HB3 ASP A 307 33.685 -9.917 2.581 1.00 0.00 H new TER 657 ASP A 307