USER MOD reduce.3.24.130724 H: found=0, std=0, add=312, rem=0, adj=11 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 282 THR OG1 : rot 180:sc= -0.525 USER MOD Set 1.2: A 286 GLN : amide:sc= -3.37! C(o=-3.9!,f=-4.1!) USER MOD Set 2.1: A 280 SER OG : rot 180:sc= -0.171 USER MOD Set 2.2: A 281 MET CE :methyl 153:sc= -12.4! (180deg=-13!) USER MOD Single : A 263 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 264 THR OG1 : rot 26:sc= 0.671! USER MOD Single : A 266 SER OG : rot 180:sc= 0 USER MOD Single : A 267 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 268 GLN : amide:sc= -0.0453 K(o=-0.045,f=-0.77) USER MOD Single : A 273 THR OG1 : rot 180:sc= 0 USER MOD Single : A 279 SER OG : rot 180:sc= 0.0492 USER MOD Single : A 289 TYR OH : rot 50:sc= 1.3 USER MOD Single : A 291 MET CE :methyl 169:sc= -10.6! (180deg=-11.3!) USER MOD Single : A 292 GLN : amide:sc= -0.274 K(o=-0.27,f=-3.6!) USER MOD Single : A 293 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 294 SER OG : rot 85:sc= 0.346 USER MOD Single : A 296 GLN : amide:sc= -2.32! K(o=-2.3!,f=-1.2) USER MOD Single : A 302 GLN : amide:sc= -2.36! C(o=-2.4!,f=-3.8!) USER MOD Single : A 305 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 263 11.218 -7.385 -3.559 1.00 0.00 N ATOM 2 CA MET A 263 12.555 -6.924 -3.099 1.00 0.00 C ATOM 3 C MET A 263 12.469 -5.548 -2.447 1.00 0.00 C ATOM 4 O MET A 263 11.675 -4.702 -2.860 1.00 0.00 O ATOM 5 CB MET A 263 13.496 -6.878 -4.305 1.00 0.00 C ATOM 6 CG MET A 263 13.095 -5.851 -5.350 1.00 0.00 C ATOM 7 SD MET A 263 14.169 -5.877 -6.798 1.00 0.00 S ATOM 8 CE MET A 263 13.827 -4.266 -7.502 1.00 0.00 C ATOM 0 HA MET A 263 12.935 -7.619 -2.351 1.00 0.00 H new ATOM 0 HB2 MET A 263 14.506 -6.657 -3.959 1.00 0.00 H new ATOM 0 HB3 MET A 263 13.527 -7.864 -4.769 1.00 0.00 H new ATOM 0 HG2 MET A 263 12.067 -6.038 -5.661 1.00 0.00 H new ATOM 0 HG3 MET A 263 13.117 -4.857 -4.904 1.00 0.00 H new ATOM 0 HE1 MET A 263 14.419 -4.132 -8.408 1.00 0.00 H new ATOM 0 HE2 MET A 263 12.767 -4.193 -7.747 1.00 0.00 H new ATOM 0 HE3 MET A 263 14.087 -3.491 -6.781 1.00 0.00 H new ATOM 20 N THR A 264 13.290 -5.330 -1.425 1.00 0.00 N ATOM 21 CA THR A 264 13.305 -4.055 -0.716 1.00 0.00 C ATOM 22 C THR A 264 14.734 -3.617 -0.409 1.00 0.00 C ATOM 23 O THR A 264 15.490 -4.338 0.242 1.00 0.00 O ATOM 24 CB THR A 264 12.502 -4.161 0.582 1.00 0.00 C ATOM 25 OG1 THR A 264 13.214 -4.907 1.553 1.00 0.00 O ATOM 26 CG2 THR A 264 11.151 -4.817 0.397 1.00 0.00 C ATOM 0 H THR A 264 13.953 -6.019 -1.069 1.00 0.00 H new ATOM 0 HA THR A 264 12.846 -3.305 -1.360 1.00 0.00 H new ATOM 0 HB THR A 264 12.347 -3.133 0.911 1.00 0.00 H new ATOM 0 HG1 THR A 264 14.176 -4.842 1.375 1.00 0.00 H new ATOM 0 HG21 THR A 264 10.634 -4.861 1.355 1.00 0.00 H new ATOM 0 HG22 THR A 264 10.558 -4.236 -0.309 1.00 0.00 H new ATOM 0 HG23 THR A 264 11.287 -5.827 0.012 1.00 0.00 H new ATOM 34 N ILE A 265 15.096 -2.429 -0.883 1.00 0.00 N ATOM 35 CA ILE A 265 16.433 -1.892 -0.660 1.00 0.00 C ATOM 36 C ILE A 265 16.633 -0.584 -1.419 1.00 0.00 C ATOM 37 O ILE A 265 17.328 0.317 -0.949 1.00 0.00 O ATOM 38 CB ILE A 265 17.522 -2.893 -1.092 1.00 0.00 C ATOM 39 CG1 ILE A 265 18.896 -2.219 -1.095 1.00 0.00 C ATOM 40 CG2 ILE A 265 17.203 -3.464 -2.466 1.00 0.00 C ATOM 41 CD1 ILE A 265 19.308 -1.680 0.257 1.00 0.00 C ATOM 0 H ILE A 265 14.482 -1.820 -1.424 1.00 0.00 H new ATOM 0 HA ILE A 265 16.524 -1.707 0.410 1.00 0.00 H new ATOM 0 HB ILE A 265 17.543 -3.714 -0.375 1.00 0.00 H new ATOM 0 HG12 ILE A 265 19.643 -2.937 -1.434 1.00 0.00 H new ATOM 0 HG13 ILE A 265 18.889 -1.402 -1.816 1.00 0.00 H new ATOM 0 HG21 ILE A 265 17.982 -4.169 -2.757 1.00 0.00 H new ATOM 0 HG22 ILE A 265 16.242 -3.978 -2.432 1.00 0.00 H new ATOM 0 HG23 ILE A 265 17.156 -2.655 -3.195 1.00 0.00 H new ATOM 0 HD11 ILE A 265 20.291 -1.216 0.180 1.00 0.00 H new ATOM 0 HD12 ILE A 265 18.582 -0.938 0.589 1.00 0.00 H new ATOM 0 HD13 ILE A 265 19.348 -2.497 0.978 1.00 0.00 H new ATOM 53 N SER A 266 16.022 -0.488 -2.595 1.00 0.00 N ATOM 54 CA SER A 266 16.134 0.710 -3.420 1.00 0.00 C ATOM 55 C SER A 266 17.463 0.727 -4.168 1.00 0.00 C ATOM 56 O SER A 266 17.512 0.472 -5.371 1.00 0.00 O ATOM 57 CB SER A 266 16.005 1.966 -2.556 1.00 0.00 C ATOM 58 OG SER A 266 14.924 2.774 -2.990 1.00 0.00 O ATOM 0 H SER A 266 15.444 -1.225 -2.999 1.00 0.00 H new ATOM 0 HA SER A 266 15.324 0.698 -4.149 1.00 0.00 H new ATOM 0 HB2 SER A 266 15.855 1.681 -1.515 1.00 0.00 H new ATOM 0 HB3 SER A 266 16.932 2.538 -2.600 1.00 0.00 H new ATOM 0 HG SER A 266 14.861 3.570 -2.421 1.00 0.00 H new ATOM 64 N GLN A 267 18.539 1.027 -3.446 1.00 0.00 N ATOM 65 CA GLN A 267 19.871 1.074 -4.039 1.00 0.00 C ATOM 66 C GLN A 267 20.148 2.439 -4.659 1.00 0.00 C ATOM 67 O GLN A 267 21.215 3.017 -4.457 1.00 0.00 O ATOM 68 CB GLN A 267 20.020 -0.019 -5.100 1.00 0.00 C ATOM 69 CG GLN A 267 21.465 -0.381 -5.400 1.00 0.00 C ATOM 70 CD GLN A 267 21.586 -1.512 -6.402 1.00 0.00 C ATOM 71 OE1 GLN A 267 20.880 -1.543 -7.410 1.00 0.00 O ATOM 72 NE2 GLN A 267 22.486 -2.451 -6.130 1.00 0.00 N ATOM 0 H GLN A 267 18.514 1.241 -2.449 1.00 0.00 H new ATOM 0 HA GLN A 267 20.597 0.903 -3.245 1.00 0.00 H new ATOM 0 HB2 GLN A 267 19.492 -0.912 -4.766 1.00 0.00 H new ATOM 0 HB3 GLN A 267 19.538 0.311 -6.020 1.00 0.00 H new ATOM 0 HG2 GLN A 267 21.984 0.497 -5.785 1.00 0.00 H new ATOM 0 HG3 GLN A 267 21.964 -0.666 -4.474 1.00 0.00 H new ATOM 0 HE21 GLN A 267 23.050 -2.386 -5.283 1.00 0.00 H new ATOM 0 HE22 GLN A 267 22.612 -3.236 -6.768 1.00 0.00 H new ATOM 81 N GLN A 268 19.183 2.948 -5.419 1.00 0.00 N ATOM 82 CA GLN A 268 19.331 4.244 -6.070 1.00 0.00 C ATOM 83 C GLN A 268 18.141 5.150 -5.771 1.00 0.00 C ATOM 84 O GLN A 268 17.149 4.718 -5.184 1.00 0.00 O ATOM 85 CB GLN A 268 19.479 4.063 -7.582 1.00 0.00 C ATOM 86 CG GLN A 268 20.701 3.252 -7.980 1.00 0.00 C ATOM 87 CD GLN A 268 21.847 4.122 -8.459 1.00 0.00 C ATOM 88 OE1 GLN A 268 21.935 5.299 -8.109 1.00 0.00 O ATOM 89 NE2 GLN A 268 22.732 3.546 -9.264 1.00 0.00 N ATOM 0 H GLN A 268 18.293 2.484 -5.599 1.00 0.00 H new ATOM 0 HA GLN A 268 20.230 4.717 -5.674 1.00 0.00 H new ATOM 0 HB2 GLN A 268 18.586 3.573 -7.970 1.00 0.00 H new ATOM 0 HB3 GLN A 268 19.535 5.044 -8.053 1.00 0.00 H new ATOM 0 HG2 GLN A 268 21.032 2.658 -7.128 1.00 0.00 H new ATOM 0 HG3 GLN A 268 20.427 2.552 -8.769 1.00 0.00 H new ATOM 0 HE21 GLN A 268 22.620 2.567 -9.528 1.00 0.00 H new ATOM 0 HE22 GLN A 268 23.524 4.082 -9.618 1.00 0.00 H new ATOM 98 N GLU A 269 18.249 6.411 -6.179 1.00 0.00 N ATOM 99 CA GLU A 269 17.185 7.383 -5.959 1.00 0.00 C ATOM 100 C GLU A 269 16.569 7.216 -4.573 1.00 0.00 C ATOM 101 O GLU A 269 15.386 6.905 -4.443 1.00 0.00 O ATOM 102 CB GLU A 269 16.104 7.239 -7.031 1.00 0.00 C ATOM 103 CG GLU A 269 15.597 5.816 -7.197 1.00 0.00 C ATOM 104 CD GLU A 269 14.506 5.705 -8.244 1.00 0.00 C ATOM 105 OE1 GLU A 269 13.577 6.540 -8.223 1.00 0.00 O ATOM 106 OE2 GLU A 269 14.581 4.785 -9.085 1.00 0.00 O ATOM 0 H GLU A 269 19.065 6.783 -6.665 1.00 0.00 H new ATOM 0 HA GLU A 269 17.621 8.380 -6.024 1.00 0.00 H new ATOM 0 HB2 GLU A 269 15.265 7.887 -6.778 1.00 0.00 H new ATOM 0 HB3 GLU A 269 16.501 7.588 -7.984 1.00 0.00 H new ATOM 0 HG2 GLU A 269 16.428 5.168 -7.474 1.00 0.00 H new ATOM 0 HG3 GLU A 269 15.216 5.456 -6.241 1.00 0.00 H new ATOM 113 N PHE A 270 17.379 7.429 -3.541 1.00 0.00 N ATOM 114 CA PHE A 270 16.909 7.306 -2.165 1.00 0.00 C ATOM 115 C PHE A 270 18.065 7.452 -1.183 1.00 0.00 C ATOM 116 O PHE A 270 18.117 8.407 -0.408 1.00 0.00 O ATOM 117 CB PHE A 270 16.213 5.959 -1.957 1.00 0.00 C ATOM 118 CG PHE A 270 14.978 6.051 -1.107 1.00 0.00 C ATOM 119 CD1 PHE A 270 15.068 6.001 0.275 1.00 0.00 C ATOM 120 CD2 PHE A 270 13.728 6.190 -1.689 1.00 0.00 C ATOM 121 CE1 PHE A 270 13.934 6.087 1.061 1.00 0.00 C ATOM 122 CE2 PHE A 270 12.591 6.276 -0.908 1.00 0.00 C ATOM 123 CZ PHE A 270 12.694 6.225 0.468 1.00 0.00 C ATOM 0 H PHE A 270 18.362 7.687 -3.631 1.00 0.00 H new ATOM 0 HA PHE A 270 16.193 8.107 -1.979 1.00 0.00 H new ATOM 0 HB2 PHE A 270 15.946 5.542 -2.928 1.00 0.00 H new ATOM 0 HB3 PHE A 270 16.913 5.264 -1.493 1.00 0.00 H new ATOM 0 HD1 PHE A 270 16.035 5.894 0.743 1.00 0.00 H new ATOM 0 HD2 PHE A 270 13.641 6.232 -2.765 1.00 0.00 H new ATOM 0 HE1 PHE A 270 14.017 6.046 2.137 1.00 0.00 H new ATOM 0 HE2 PHE A 270 11.622 6.383 -1.374 1.00 0.00 H new ATOM 0 HZ PHE A 270 11.807 6.293 1.080 1.00 0.00 H new ATOM 133 N GLY A 271 18.994 6.503 -1.224 1.00 0.00 N ATOM 134 CA GLY A 271 20.139 6.549 -0.335 1.00 0.00 C ATOM 135 C GLY A 271 21.285 7.351 -0.918 1.00 0.00 C ATOM 136 O GLY A 271 22.445 7.139 -0.565 1.00 0.00 O ATOM 0 H GLY A 271 18.974 5.703 -1.857 1.00 0.00 H new ATOM 0 HA2 GLY A 271 19.840 6.986 0.618 1.00 0.00 H new ATOM 0 HA3 GLY A 271 20.477 5.534 -0.128 1.00 0.00 H new ATOM 140 N ARG A 272 20.957 8.276 -1.815 1.00 0.00 N ATOM 141 CA ARG A 272 21.964 9.115 -2.452 1.00 0.00 C ATOM 142 C ARG A 272 22.130 10.436 -1.706 1.00 0.00 C ATOM 143 O ARG A 272 22.987 11.250 -2.049 1.00 0.00 O ATOM 144 CB ARG A 272 21.585 9.385 -3.910 1.00 0.00 C ATOM 145 CG ARG A 272 22.701 10.027 -4.718 1.00 0.00 C ATOM 146 CD ARG A 272 23.942 9.149 -4.752 1.00 0.00 C ATOM 147 NE ARG A 272 25.154 9.902 -4.444 1.00 0.00 N ATOM 148 CZ ARG A 272 25.817 10.628 -5.337 1.00 0.00 C ATOM 149 NH1 ARG A 272 25.386 10.700 -6.589 1.00 0.00 N ATOM 150 NH2 ARG A 272 26.912 11.284 -4.979 1.00 0.00 N ATOM 0 H ARG A 272 20.001 8.463 -2.117 1.00 0.00 H new ATOM 0 HA ARG A 272 22.914 8.581 -2.421 1.00 0.00 H new ATOM 0 HB2 ARG A 272 21.299 8.445 -4.383 1.00 0.00 H new ATOM 0 HB3 ARG A 272 20.709 10.034 -3.935 1.00 0.00 H new ATOM 0 HG2 ARG A 272 22.356 10.210 -5.736 1.00 0.00 H new ATOM 0 HG3 ARG A 272 22.952 10.996 -4.287 1.00 0.00 H new ATOM 0 HD2 ARG A 272 23.830 8.335 -4.036 1.00 0.00 H new ATOM 0 HD3 ARG A 272 24.038 8.695 -5.738 1.00 0.00 H new ATOM 0 HE ARG A 272 25.512 9.869 -3.489 1.00 0.00 H new ATOM 0 HH11 ARG A 272 24.544 10.197 -6.868 1.00 0.00 H new ATOM 0 HH12 ARG A 272 25.897 11.258 -7.273 1.00 0.00 H new ATOM 0 HH21 ARG A 272 27.246 11.232 -4.017 1.00 0.00 H new ATOM 0 HH22 ARG A 272 27.420 11.841 -5.666 1.00 0.00 H new ATOM 164 N THR A 273 21.303 10.644 -0.686 1.00 0.00 N ATOM 165 CA THR A 273 21.358 11.866 0.106 1.00 0.00 C ATOM 166 C THR A 273 22.797 12.231 0.454 1.00 0.00 C ATOM 167 O THR A 273 23.167 13.405 0.449 1.00 0.00 O ATOM 168 CB THR A 273 20.536 11.706 1.386 1.00 0.00 C ATOM 169 OG1 THR A 273 20.586 12.887 2.166 1.00 0.00 O ATOM 170 CG2 THR A 273 21.004 10.560 2.257 1.00 0.00 C ATOM 0 H THR A 273 20.587 9.981 -0.389 1.00 0.00 H new ATOM 0 HA THR A 273 20.935 12.673 -0.492 1.00 0.00 H new ATOM 0 HB THR A 273 19.520 11.497 1.052 1.00 0.00 H new ATOM 0 HG1 THR A 273 20.053 12.765 2.979 1.00 0.00 H new ATOM 0 HG21 THR A 273 20.379 10.502 3.148 1.00 0.00 H new ATOM 0 HG22 THR A 273 20.930 9.626 1.700 1.00 0.00 H new ATOM 0 HG23 THR A 273 22.040 10.726 2.551 1.00 0.00 H new ATOM 178 N GLY A 274 23.606 11.221 0.759 1.00 0.00 N ATOM 179 CA GLY A 274 24.993 11.467 1.108 1.00 0.00 C ATOM 180 C GLY A 274 25.885 10.263 0.873 1.00 0.00 C ATOM 181 O GLY A 274 26.988 10.396 0.344 1.00 0.00 O ATOM 0 H GLY A 274 23.327 10.240 0.771 1.00 0.00 H new ATOM 0 HA2 GLY A 274 25.366 12.308 0.523 1.00 0.00 H new ATOM 0 HA3 GLY A 274 25.052 11.757 2.157 1.00 0.00 H new ATOM 185 N LEU A 275 25.414 9.085 1.271 1.00 0.00 N ATOM 186 CA LEU A 275 26.188 7.860 1.101 1.00 0.00 C ATOM 187 C LEU A 275 25.282 6.634 1.069 1.00 0.00 C ATOM 188 O LEU A 275 24.068 6.739 1.247 1.00 0.00 O ATOM 189 CB LEU A 275 27.213 7.722 2.229 1.00 0.00 C ATOM 190 CG LEU A 275 28.673 7.880 1.803 1.00 0.00 C ATOM 191 CD1 LEU A 275 29.034 9.351 1.672 1.00 0.00 C ATOM 192 CD2 LEU A 275 29.595 7.190 2.797 1.00 0.00 C ATOM 0 H LEU A 275 24.504 8.953 1.712 1.00 0.00 H new ATOM 0 HA LEU A 275 26.710 7.923 0.146 1.00 0.00 H new ATOM 0 HB2 LEU A 275 26.991 8.467 2.993 1.00 0.00 H new ATOM 0 HB3 LEU A 275 27.090 6.743 2.693 1.00 0.00 H new ATOM 0 HG LEU A 275 28.801 7.407 0.829 1.00 0.00 H new ATOM 0 HD11 LEU A 275 30.077 9.444 1.368 1.00 0.00 H new ATOM 0 HD12 LEU A 275 28.395 9.817 0.922 1.00 0.00 H new ATOM 0 HD13 LEU A 275 28.890 9.848 2.631 1.00 0.00 H new ATOM 0 HD21 LEU A 275 30.630 7.312 2.478 1.00 0.00 H new ATOM 0 HD22 LEU A 275 29.464 7.634 3.784 1.00 0.00 H new ATOM 0 HD23 LEU A 275 29.352 6.128 2.842 1.00 0.00 H new ATOM 204 N PRO A 276 25.870 5.450 0.839 1.00 0.00 N ATOM 205 CA PRO A 276 25.124 4.188 0.779 1.00 0.00 C ATOM 206 C PRO A 276 24.317 3.929 2.046 1.00 0.00 C ATOM 207 O PRO A 276 23.915 4.862 2.741 1.00 0.00 O ATOM 208 CB PRO A 276 26.219 3.129 0.621 1.00 0.00 C ATOM 209 CG PRO A 276 27.385 3.862 0.052 1.00 0.00 C ATOM 210 CD PRO A 276 27.312 5.253 0.616 1.00 0.00 C ATOM 0 HA PRO A 276 24.394 4.189 -0.030 1.00 0.00 H new ATOM 0 HB2 PRO A 276 26.469 2.673 1.579 1.00 0.00 H new ATOM 0 HB3 PRO A 276 25.898 2.324 -0.040 1.00 0.00 H new ATOM 0 HG2 PRO A 276 28.322 3.378 0.326 1.00 0.00 H new ATOM 0 HG3 PRO A 276 27.342 3.879 -1.037 1.00 0.00 H new ATOM 0 HD2 PRO A 276 27.879 5.342 1.543 1.00 0.00 H new ATOM 0 HD3 PRO A 276 27.717 5.990 -0.077 1.00 0.00 H new ATOM 218 N ASP A 277 24.081 2.653 2.339 1.00 0.00 N ATOM 219 CA ASP A 277 23.320 2.266 3.520 1.00 0.00 C ATOM 220 C ASP A 277 24.234 1.689 4.597 1.00 0.00 C ATOM 221 O ASP A 277 23.906 0.689 5.233 1.00 0.00 O ATOM 222 CB ASP A 277 22.247 1.245 3.142 1.00 0.00 C ATOM 223 CG ASP A 277 21.466 1.656 1.910 1.00 0.00 C ATOM 224 OD1 ASP A 277 21.199 2.866 1.752 1.00 0.00 O ATOM 225 OD2 ASP A 277 21.121 0.769 1.101 1.00 0.00 O ATOM 0 H ASP A 277 24.407 1.870 1.773 1.00 0.00 H new ATOM 0 HA ASP A 277 22.841 3.158 3.922 1.00 0.00 H new ATOM 0 HB2 ASP A 277 22.717 0.277 2.965 1.00 0.00 H new ATOM 0 HB3 ASP A 277 21.560 1.118 3.979 1.00 0.00 H new ATOM 230 N LEU A 278 25.380 2.331 4.797 1.00 0.00 N ATOM 231 CA LEU A 278 26.345 1.891 5.797 1.00 0.00 C ATOM 232 C LEU A 278 25.754 1.979 7.200 1.00 0.00 C ATOM 233 O LEU A 278 26.335 1.478 8.161 1.00 0.00 O ATOM 234 CB LEU A 278 27.618 2.735 5.712 1.00 0.00 C ATOM 235 CG LEU A 278 28.416 2.838 7.013 1.00 0.00 C ATOM 236 CD1 LEU A 278 29.849 3.257 6.725 1.00 0.00 C ATOM 237 CD2 LEU A 278 27.754 3.820 7.967 1.00 0.00 C ATOM 0 H LEU A 278 25.664 3.161 4.277 1.00 0.00 H new ATOM 0 HA LEU A 278 26.593 0.849 5.593 1.00 0.00 H new ATOM 0 HB2 LEU A 278 28.263 2.315 4.940 1.00 0.00 H new ATOM 0 HB3 LEU A 278 27.348 3.740 5.389 1.00 0.00 H new ATOM 0 HG LEU A 278 28.433 1.857 7.487 1.00 0.00 H new ATOM 0 HD11 LEU A 278 30.403 3.326 7.661 1.00 0.00 H new ATOM 0 HD12 LEU A 278 30.321 2.518 6.077 1.00 0.00 H new ATOM 0 HD13 LEU A 278 29.852 4.228 6.230 1.00 0.00 H new ATOM 0 HD21 LEU A 278 28.335 3.881 8.887 1.00 0.00 H new ATOM 0 HD22 LEU A 278 27.707 4.804 7.501 1.00 0.00 H new ATOM 0 HD23 LEU A 278 26.744 3.479 8.197 1.00 0.00 H new ATOM 249 N SER A 279 24.595 2.617 7.313 1.00 0.00 N ATOM 250 CA SER A 279 23.929 2.760 8.600 1.00 0.00 C ATOM 251 C SER A 279 23.393 1.414 9.082 1.00 0.00 C ATOM 252 O SER A 279 22.887 1.302 10.199 1.00 0.00 O ATOM 253 CB SER A 279 22.787 3.773 8.499 1.00 0.00 C ATOM 254 OG SER A 279 22.992 4.668 7.419 1.00 0.00 O ATOM 0 H SER A 279 24.099 3.042 6.530 1.00 0.00 H new ATOM 0 HA SER A 279 24.659 3.122 9.324 1.00 0.00 H new ATOM 0 HB2 SER A 279 21.841 3.247 8.365 1.00 0.00 H new ATOM 0 HB3 SER A 279 22.711 4.334 9.431 1.00 0.00 H new ATOM 0 HG SER A 279 22.248 5.304 7.375 1.00 0.00 H new ATOM 260 N SER A 280 23.508 0.393 8.233 1.00 0.00 N ATOM 261 CA SER A 280 23.035 -0.943 8.576 1.00 0.00 C ATOM 262 C SER A 280 24.140 -1.982 8.394 1.00 0.00 C ATOM 263 O SER A 280 24.221 -2.949 9.151 1.00 0.00 O ATOM 264 CB SER A 280 21.821 -1.313 7.721 1.00 0.00 C ATOM 265 OG SER A 280 21.664 -0.411 6.640 1.00 0.00 O ATOM 0 H SER A 280 23.924 0.468 7.305 1.00 0.00 H new ATOM 0 HA SER A 280 22.742 -0.936 9.626 1.00 0.00 H new ATOM 0 HB2 SER A 280 21.937 -2.327 7.338 1.00 0.00 H new ATOM 0 HB3 SER A 280 20.922 -1.306 8.338 1.00 0.00 H new ATOM 0 HG SER A 280 20.883 -0.670 6.108 1.00 0.00 H new ATOM 271 N MET A 281 24.995 -1.777 7.392 1.00 0.00 N ATOM 272 CA MET A 281 26.096 -2.703 7.131 1.00 0.00 C ATOM 273 C MET A 281 27.234 -2.454 8.108 1.00 0.00 C ATOM 274 O MET A 281 27.993 -3.357 8.451 1.00 0.00 O ATOM 275 CB MET A 281 26.600 -2.544 5.702 1.00 0.00 C ATOM 276 CG MET A 281 25.933 -3.482 4.717 1.00 0.00 C ATOM 277 SD MET A 281 24.151 -3.592 4.959 1.00 0.00 S ATOM 278 CE MET A 281 23.712 -1.857 4.994 1.00 0.00 C ATOM 0 H MET A 281 24.947 -0.984 6.752 1.00 0.00 H new ATOM 0 HA MET A 281 25.728 -3.720 7.263 1.00 0.00 H new ATOM 0 HB2 MET A 281 26.436 -1.516 5.380 1.00 0.00 H new ATOM 0 HB3 MET A 281 27.676 -2.716 5.684 1.00 0.00 H new ATOM 0 HG2 MET A 281 26.137 -3.142 3.702 1.00 0.00 H new ATOM 0 HG3 MET A 281 26.371 -4.475 4.814 1.00 0.00 H new ATOM 0 HE1 MET A 281 22.681 -1.736 4.661 1.00 0.00 H new ATOM 0 HE2 MET A 281 23.812 -1.477 6.011 1.00 0.00 H new ATOM 0 HE3 MET A 281 24.375 -1.300 4.332 1.00 0.00 H new ATOM 288 N THR A 282 27.322 -1.211 8.548 1.00 0.00 N ATOM 289 CA THR A 282 28.339 -0.773 9.505 1.00 0.00 C ATOM 290 C THR A 282 29.587 -1.653 9.482 1.00 0.00 C ATOM 291 O THR A 282 30.575 -1.326 8.830 1.00 0.00 O ATOM 292 CB THR A 282 27.750 -0.762 10.914 1.00 0.00 C ATOM 293 OG1 THR A 282 28.766 -0.940 11.885 1.00 0.00 O ATOM 294 CG2 THR A 282 26.709 -1.838 11.135 1.00 0.00 C ATOM 0 H THR A 282 26.689 -0.468 8.253 1.00 0.00 H new ATOM 0 HA THR A 282 28.644 0.232 9.212 1.00 0.00 H new ATOM 0 HB THR A 282 27.271 0.212 11.019 1.00 0.00 H new ATOM 0 HG1 THR A 282 28.368 -0.928 12.781 1.00 0.00 H new ATOM 0 HG21 THR A 282 26.331 -1.775 12.155 1.00 0.00 H new ATOM 0 HG22 THR A 282 25.886 -1.698 10.434 1.00 0.00 H new ATOM 0 HG23 THR A 282 27.159 -2.818 10.975 1.00 0.00 H new ATOM 302 N GLU A 283 29.537 -2.755 10.225 1.00 0.00 N ATOM 303 CA GLU A 283 30.663 -3.678 10.323 1.00 0.00 C ATOM 304 C GLU A 283 31.081 -4.207 8.956 1.00 0.00 C ATOM 305 O GLU A 283 32.224 -4.034 8.542 1.00 0.00 O ATOM 306 CB GLU A 283 30.307 -4.846 11.244 1.00 0.00 C ATOM 307 CG GLU A 283 28.842 -5.244 11.181 1.00 0.00 C ATOM 308 CD GLU A 283 28.649 -6.745 11.087 1.00 0.00 C ATOM 309 OE1 GLU A 283 29.588 -7.438 10.642 1.00 0.00 O ATOM 310 OE2 GLU A 283 27.559 -7.228 11.458 1.00 0.00 O ATOM 0 H GLU A 283 28.722 -3.032 10.772 1.00 0.00 H new ATOM 0 HA GLU A 283 31.505 -3.126 10.740 1.00 0.00 H new ATOM 0 HB2 GLU A 283 30.921 -5.707 10.979 1.00 0.00 H new ATOM 0 HB3 GLU A 283 30.559 -4.579 12.270 1.00 0.00 H new ATOM 0 HG2 GLU A 283 28.329 -4.870 12.067 1.00 0.00 H new ATOM 0 HG3 GLU A 283 28.376 -4.767 10.319 1.00 0.00 H new ATOM 317 N GLU A 284 30.155 -4.864 8.268 1.00 0.00 N ATOM 318 CA GLU A 284 30.442 -5.429 6.952 1.00 0.00 C ATOM 319 C GLU A 284 30.733 -4.334 5.929 1.00 0.00 C ATOM 320 O GLU A 284 31.394 -4.576 4.919 1.00 0.00 O ATOM 321 CB GLU A 284 29.273 -6.292 6.475 1.00 0.00 C ATOM 322 CG GLU A 284 28.030 -5.493 6.124 1.00 0.00 C ATOM 323 CD GLU A 284 26.814 -5.930 6.917 1.00 0.00 C ATOM 324 OE1 GLU A 284 26.637 -5.438 8.051 1.00 0.00 O ATOM 325 OE2 GLU A 284 26.039 -6.764 6.404 1.00 0.00 O ATOM 0 H GLU A 284 29.202 -5.019 8.597 1.00 0.00 H new ATOM 0 HA GLU A 284 31.331 -6.052 7.046 1.00 0.00 H new ATOM 0 HB2 GLU A 284 29.587 -6.863 5.601 1.00 0.00 H new ATOM 0 HB3 GLU A 284 29.023 -7.013 7.253 1.00 0.00 H new ATOM 0 HG2 GLU A 284 28.218 -4.435 6.308 1.00 0.00 H new ATOM 0 HG3 GLU A 284 27.823 -5.599 5.059 1.00 0.00 H new ATOM 332 N GLU A 285 30.240 -3.129 6.194 1.00 0.00 N ATOM 333 CA GLU A 285 30.458 -2.001 5.291 1.00 0.00 C ATOM 334 C GLU A 285 31.809 -1.349 5.564 1.00 0.00 C ATOM 335 O GLU A 285 32.376 -0.684 4.697 1.00 0.00 O ATOM 336 CB GLU A 285 29.340 -0.967 5.443 1.00 0.00 C ATOM 337 CG GLU A 285 28.541 -0.724 4.169 1.00 0.00 C ATOM 338 CD GLU A 285 28.387 -1.969 3.311 1.00 0.00 C ATOM 339 OE1 GLU A 285 28.543 -3.086 3.846 1.00 0.00 O ATOM 340 OE2 GLU A 285 28.111 -1.823 2.102 1.00 0.00 O ATOM 0 H GLU A 285 29.689 -2.907 7.023 1.00 0.00 H new ATOM 0 HA GLU A 285 30.451 -2.379 4.269 1.00 0.00 H new ATOM 0 HB2 GLU A 285 28.660 -1.296 6.229 1.00 0.00 H new ATOM 0 HB3 GLU A 285 29.775 -0.023 5.772 1.00 0.00 H new ATOM 0 HG2 GLU A 285 27.552 -0.349 4.434 1.00 0.00 H new ATOM 0 HG3 GLU A 285 29.031 0.054 3.584 1.00 0.00 H new ATOM 347 N GLN A 286 32.326 -1.557 6.769 1.00 0.00 N ATOM 348 CA GLN A 286 33.617 -1.003 7.155 1.00 0.00 C ATOM 349 C GLN A 286 34.717 -2.011 6.863 1.00 0.00 C ATOM 350 O GLN A 286 35.878 -1.651 6.680 1.00 0.00 O ATOM 351 CB GLN A 286 33.620 -0.634 8.640 1.00 0.00 C ATOM 352 CG GLN A 286 32.706 0.532 8.979 1.00 0.00 C ATOM 353 CD GLN A 286 31.953 0.322 10.279 1.00 0.00 C ATOM 354 OE1 GLN A 286 32.383 -0.444 11.141 1.00 0.00 O ATOM 355 NE2 GLN A 286 30.822 1.002 10.424 1.00 0.00 N ATOM 0 H GLN A 286 31.869 -2.107 7.497 1.00 0.00 H new ATOM 0 HA GLN A 286 33.798 -0.098 6.576 1.00 0.00 H new ATOM 0 HB2 GLN A 286 33.317 -1.504 9.223 1.00 0.00 H new ATOM 0 HB3 GLN A 286 34.638 -0.387 8.942 1.00 0.00 H new ATOM 0 HG2 GLN A 286 33.298 1.445 9.049 1.00 0.00 H new ATOM 0 HG3 GLN A 286 31.992 0.677 8.169 1.00 0.00 H new ATOM 0 HE21 GLN A 286 30.504 1.626 9.683 1.00 0.00 H new ATOM 0 HE22 GLN A 286 30.271 0.900 11.277 1.00 0.00 H new ATOM 364 N ILE A 287 34.324 -3.276 6.797 1.00 0.00 N ATOM 365 CA ILE A 287 35.241 -4.360 6.503 1.00 0.00 C ATOM 366 C ILE A 287 35.331 -4.534 5.000 1.00 0.00 C ATOM 367 O ILE A 287 36.387 -4.836 4.443 1.00 0.00 O ATOM 368 CB ILE A 287 34.755 -5.672 7.136 1.00 0.00 C ATOM 369 CG1 ILE A 287 33.521 -6.188 6.404 1.00 0.00 C ATOM 370 CG2 ILE A 287 34.458 -5.473 8.614 1.00 0.00 C ATOM 371 CD1 ILE A 287 33.839 -6.913 5.114 1.00 0.00 C ATOM 0 H ILE A 287 33.360 -3.576 6.946 1.00 0.00 H new ATOM 0 HA ILE A 287 36.219 -4.116 6.917 1.00 0.00 H new ATOM 0 HB ILE A 287 35.546 -6.416 7.044 1.00 0.00 H new ATOM 0 HG12 ILE A 287 32.973 -6.861 7.063 1.00 0.00 H new ATOM 0 HG13 ILE A 287 32.861 -5.348 6.186 1.00 0.00 H new ATOM 0 HG21 ILE A 287 34.115 -6.413 9.046 1.00 0.00 H new ATOM 0 HG22 ILE A 287 35.363 -5.147 9.126 1.00 0.00 H new ATOM 0 HG23 ILE A 287 33.683 -4.716 8.731 1.00 0.00 H new ATOM 0 HD11 ILE A 287 32.913 -7.251 4.649 1.00 0.00 H new ATOM 0 HD12 ILE A 287 34.360 -6.237 4.436 1.00 0.00 H new ATOM 0 HD13 ILE A 287 34.473 -7.773 5.327 1.00 0.00 H new ATOM 383 N ALA A 288 34.197 -4.304 4.360 1.00 0.00 N ATOM 384 CA ALA A 288 34.081 -4.385 2.921 1.00 0.00 C ATOM 385 C ALA A 288 34.710 -3.152 2.304 1.00 0.00 C ATOM 386 O ALA A 288 35.450 -3.231 1.333 1.00 0.00 O ATOM 387 CB ALA A 288 32.617 -4.502 2.521 1.00 0.00 C ATOM 0 H ALA A 288 33.327 -4.054 4.831 1.00 0.00 H new ATOM 0 HA ALA A 288 34.602 -5.271 2.558 1.00 0.00 H new ATOM 0 HB1 ALA A 288 32.540 -4.562 1.435 1.00 0.00 H new ATOM 0 HB2 ALA A 288 32.189 -5.400 2.966 1.00 0.00 H new ATOM 0 HB3 ALA A 288 32.072 -3.627 2.875 1.00 0.00 H new ATOM 393 N TYR A 289 34.440 -2.004 2.897 1.00 0.00 N ATOM 394 CA TYR A 289 35.023 -0.773 2.402 1.00 0.00 C ATOM 395 C TYR A 289 36.480 -0.705 2.828 1.00 0.00 C ATOM 396 O TYR A 289 37.315 -0.120 2.139 1.00 0.00 O ATOM 397 CB TYR A 289 34.256 0.438 2.911 1.00 0.00 C ATOM 398 CG TYR A 289 32.816 0.477 2.451 1.00 0.00 C ATOM 399 CD1 TYR A 289 32.301 -0.523 1.636 1.00 0.00 C ATOM 400 CD2 TYR A 289 31.973 1.514 2.831 1.00 0.00 C ATOM 401 CE1 TYR A 289 30.986 -0.491 1.213 1.00 0.00 C ATOM 402 CE2 TYR A 289 30.657 1.553 2.411 1.00 0.00 C ATOM 403 CZ TYR A 289 30.169 0.549 1.602 1.00 0.00 C ATOM 404 OH TYR A 289 28.859 0.584 1.181 1.00 0.00 O ATOM 0 H TYR A 289 33.831 -1.899 3.709 1.00 0.00 H new ATOM 0 HA TYR A 289 34.963 -0.763 1.314 1.00 0.00 H new ATOM 0 HB2 TYR A 289 34.281 0.442 4.001 1.00 0.00 H new ATOM 0 HB3 TYR A 289 34.761 1.345 2.577 1.00 0.00 H new ATOM 0 HD1 TYR A 289 32.939 -1.339 1.328 1.00 0.00 H new ATOM 0 HD2 TYR A 289 32.352 2.302 3.465 1.00 0.00 H new ATOM 0 HE1 TYR A 289 30.600 -1.277 0.581 1.00 0.00 H new ATOM 0 HE2 TYR A 289 30.014 2.366 2.715 1.00 0.00 H new ATOM 0 HH TYR A 289 28.437 -0.283 1.353 1.00 0.00 H new ATOM 414 N ALA A 290 36.784 -1.339 3.960 1.00 0.00 N ATOM 415 CA ALA A 290 38.147 -1.379 4.459 1.00 0.00 C ATOM 416 C ALA A 290 39.045 -2.041 3.430 1.00 0.00 C ATOM 417 O ALA A 290 40.099 -1.510 3.078 1.00 0.00 O ATOM 418 CB ALA A 290 38.218 -2.122 5.785 1.00 0.00 C ATOM 0 H ALA A 290 36.104 -1.828 4.542 1.00 0.00 H new ATOM 0 HA ALA A 290 38.489 -0.358 4.630 1.00 0.00 H new ATOM 0 HB1 ALA A 290 39.249 -2.138 6.138 1.00 0.00 H new ATOM 0 HB2 ALA A 290 37.591 -1.616 6.519 1.00 0.00 H new ATOM 0 HB3 ALA A 290 37.865 -3.144 5.649 1.00 0.00 H new ATOM 424 N MET A 291 38.611 -3.195 2.922 1.00 0.00 N ATOM 425 CA MET A 291 39.389 -3.890 1.906 1.00 0.00 C ATOM 426 C MET A 291 39.377 -3.072 0.622 1.00 0.00 C ATOM 427 O MET A 291 40.324 -3.111 -0.163 1.00 0.00 O ATOM 428 CB MET A 291 38.860 -5.309 1.657 1.00 0.00 C ATOM 429 CG MET A 291 37.506 -5.361 0.971 1.00 0.00 C ATOM 430 SD MET A 291 37.590 -4.981 -0.793 1.00 0.00 S ATOM 431 CE MET A 291 36.190 -3.876 -0.974 1.00 0.00 C ATOM 0 H MET A 291 37.743 -3.657 3.193 1.00 0.00 H new ATOM 0 HA MET A 291 40.414 -3.994 2.262 1.00 0.00 H new ATOM 0 HB2 MET A 291 39.583 -5.852 1.049 1.00 0.00 H new ATOM 0 HB3 MET A 291 38.791 -5.831 2.611 1.00 0.00 H new ATOM 0 HG2 MET A 291 37.077 -6.354 1.103 1.00 0.00 H new ATOM 0 HG3 MET A 291 36.832 -4.656 1.457 1.00 0.00 H new ATOM 0 HE1 MET A 291 36.224 -3.404 -1.956 1.00 0.00 H new ATOM 0 HE2 MET A 291 35.264 -4.443 -0.875 1.00 0.00 H new ATOM 0 HE3 MET A 291 36.230 -3.109 -0.201 1.00 0.00 H new ATOM 441 N GLN A 292 38.299 -2.311 0.426 1.00 0.00 N ATOM 442 CA GLN A 292 38.169 -1.459 -0.751 1.00 0.00 C ATOM 443 C GLN A 292 39.403 -0.579 -0.915 1.00 0.00 C ATOM 444 O GLN A 292 40.091 -0.637 -1.934 1.00 0.00 O ATOM 445 CB GLN A 292 36.924 -0.575 -0.638 1.00 0.00 C ATOM 446 CG GLN A 292 36.486 0.027 -1.962 1.00 0.00 C ATOM 447 CD GLN A 292 34.980 0.175 -2.067 1.00 0.00 C ATOM 448 OE1 GLN A 292 34.236 -0.330 -1.227 1.00 0.00 O ATOM 449 NE2 GLN A 292 34.524 0.869 -3.103 1.00 0.00 N ATOM 0 H GLN A 292 37.507 -2.269 1.067 1.00 0.00 H new ATOM 0 HA GLN A 292 38.072 -2.104 -1.625 1.00 0.00 H new ATOM 0 HB2 GLN A 292 36.105 -1.166 -0.228 1.00 0.00 H new ATOM 0 HB3 GLN A 292 37.123 0.230 0.070 1.00 0.00 H new ATOM 0 HG2 GLN A 292 36.953 1.004 -2.084 1.00 0.00 H new ATOM 0 HG3 GLN A 292 36.843 -0.601 -2.778 1.00 0.00 H new ATOM 0 HE21 GLN A 292 35.178 1.270 -3.775 1.00 0.00 H new ATOM 0 HE22 GLN A 292 33.520 1.001 -3.226 1.00 0.00 H new ATOM 458 N MET A 293 39.675 0.238 0.100 1.00 0.00 N ATOM 459 CA MET A 293 40.825 1.134 0.074 1.00 0.00 C ATOM 460 C MET A 293 42.128 0.347 0.136 1.00 0.00 C ATOM 461 O MET A 293 43.147 0.768 -0.412 1.00 0.00 O ATOM 462 CB MET A 293 40.755 2.121 1.241 1.00 0.00 C ATOM 463 CG MET A 293 41.279 1.554 2.551 1.00 0.00 C ATOM 464 SD MET A 293 40.546 2.348 3.995 1.00 0.00 S ATOM 465 CE MET A 293 41.697 3.694 4.263 1.00 0.00 C ATOM 0 H MET A 293 39.114 0.297 0.950 1.00 0.00 H new ATOM 0 HA MET A 293 40.801 1.689 -0.864 1.00 0.00 H new ATOM 0 HB2 MET A 293 41.327 3.013 0.986 1.00 0.00 H new ATOM 0 HB3 MET A 293 39.720 2.435 1.379 1.00 0.00 H new ATOM 0 HG2 MET A 293 41.075 0.484 2.587 1.00 0.00 H new ATOM 0 HG3 MET A 293 42.362 1.673 2.586 1.00 0.00 H new ATOM 0 HE1 MET A 293 41.378 4.279 5.126 1.00 0.00 H new ATOM 0 HE2 MET A 293 42.693 3.290 4.446 1.00 0.00 H new ATOM 0 HE3 MET A 293 41.722 4.333 3.380 1.00 0.00 H new ATOM 475 N SER A 294 42.089 -0.799 0.807 1.00 0.00 N ATOM 476 CA SER A 294 43.269 -1.646 0.940 1.00 0.00 C ATOM 477 C SER A 294 43.561 -2.385 -0.363 1.00 0.00 C ATOM 478 O SER A 294 44.611 -3.009 -0.513 1.00 0.00 O ATOM 479 CB SER A 294 43.078 -2.650 2.077 1.00 0.00 C ATOM 480 OG SER A 294 43.038 -1.997 3.333 1.00 0.00 O ATOM 0 H SER A 294 41.254 -1.163 1.267 1.00 0.00 H new ATOM 0 HA SER A 294 44.119 -1.004 1.170 1.00 0.00 H new ATOM 0 HB2 SER A 294 42.153 -3.206 1.923 1.00 0.00 H new ATOM 0 HB3 SER A 294 43.892 -3.375 2.066 1.00 0.00 H new ATOM 0 HG SER A 294 42.125 -1.692 3.514 1.00 0.00 H new ATOM 486 N LEU A 295 42.624 -2.309 -1.304 1.00 0.00 N ATOM 487 CA LEU A 295 42.780 -2.970 -2.594 1.00 0.00 C ATOM 488 C LEU A 295 42.416 -2.025 -3.734 1.00 0.00 C ATOM 489 O LEU A 295 41.739 -2.415 -4.686 1.00 0.00 O ATOM 490 CB LEU A 295 41.907 -4.225 -2.657 1.00 0.00 C ATOM 491 CG LEU A 295 42.538 -5.419 -3.376 1.00 0.00 C ATOM 492 CD1 LEU A 295 43.810 -5.858 -2.666 1.00 0.00 C ATOM 493 CD2 LEU A 295 41.549 -6.572 -3.462 1.00 0.00 C ATOM 0 H LEU A 295 41.749 -1.796 -1.196 1.00 0.00 H new ATOM 0 HA LEU A 295 43.825 -3.259 -2.704 1.00 0.00 H new ATOM 0 HB2 LEU A 295 41.655 -4.525 -1.640 1.00 0.00 H new ATOM 0 HB3 LEU A 295 40.971 -3.973 -3.156 1.00 0.00 H new ATOM 0 HG LEU A 295 42.799 -5.113 -4.389 1.00 0.00 H new ATOM 0 HD11 LEU A 295 44.245 -6.708 -3.191 1.00 0.00 H new ATOM 0 HD12 LEU A 295 44.524 -5.034 -2.655 1.00 0.00 H new ATOM 0 HD13 LEU A 295 43.574 -6.147 -1.642 1.00 0.00 H new ATOM 0 HD21 LEU A 295 42.014 -7.413 -3.976 1.00 0.00 H new ATOM 0 HD22 LEU A 295 41.258 -6.877 -2.457 1.00 0.00 H new ATOM 0 HD23 LEU A 295 40.665 -6.253 -4.014 1.00 0.00 H new ATOM 505 N GLN A 296 42.871 -0.780 -3.630 1.00 0.00 N ATOM 506 CA GLN A 296 42.594 0.224 -4.651 1.00 0.00 C ATOM 507 C GLN A 296 43.611 0.145 -5.785 1.00 0.00 C ATOM 508 O GLN A 296 43.651 1.012 -6.658 1.00 0.00 O ATOM 509 CB GLN A 296 42.607 1.625 -4.034 1.00 0.00 C ATOM 510 CG GLN A 296 43.993 2.246 -3.963 1.00 0.00 C ATOM 511 CD GLN A 296 44.232 2.993 -2.666 1.00 0.00 C ATOM 512 OE1 GLN A 296 44.041 4.207 -2.591 1.00 0.00 O ATOM 513 NE2 GLN A 296 44.654 2.270 -1.635 1.00 0.00 N ATOM 0 H GLN A 296 43.433 -0.443 -2.849 1.00 0.00 H new ATOM 0 HA GLN A 296 41.605 0.024 -5.062 1.00 0.00 H new ATOM 0 HB2 GLN A 296 41.956 2.276 -4.617 1.00 0.00 H new ATOM 0 HB3 GLN A 296 42.189 1.574 -3.029 1.00 0.00 H new ATOM 0 HG2 GLN A 296 44.744 1.463 -4.071 1.00 0.00 H new ATOM 0 HG3 GLN A 296 44.124 2.930 -4.801 1.00 0.00 H new ATOM 0 HE21 GLN A 296 44.799 1.266 -1.742 1.00 0.00 H new ATOM 0 HE22 GLN A 296 44.833 2.719 -0.737 1.00 0.00 H new ATOM 522 N GLY A 297 44.433 -0.900 -5.767 1.00 0.00 N ATOM 523 CA GLY A 297 45.438 -1.070 -6.799 1.00 0.00 C ATOM 524 C GLY A 297 45.645 -2.524 -7.175 1.00 0.00 C ATOM 525 O GLY A 297 45.085 -3.003 -8.161 1.00 0.00 O ATOM 0 H GLY A 297 44.420 -1.631 -5.056 1.00 0.00 H new ATOM 0 HA2 GLY A 297 45.143 -0.508 -7.685 1.00 0.00 H new ATOM 0 HA3 GLY A 297 46.383 -0.649 -6.454 1.00 0.00 H new ATOM 529 N ALA A 298 46.451 -3.229 -6.388 1.00 0.00 N ATOM 530 CA ALA A 298 46.730 -4.636 -6.644 1.00 0.00 C ATOM 531 C ALA A 298 47.665 -5.213 -5.586 1.00 0.00 C ATOM 532 O ALA A 298 47.361 -6.230 -4.962 1.00 0.00 O ATOM 533 CB ALA A 298 47.329 -4.811 -8.031 1.00 0.00 C ATOM 0 H ALA A 298 46.922 -2.848 -5.567 1.00 0.00 H new ATOM 0 HA ALA A 298 45.788 -5.182 -6.595 1.00 0.00 H new ATOM 0 HB1 ALA A 298 47.532 -5.867 -8.209 1.00 0.00 H new ATOM 0 HB2 ALA A 298 46.626 -4.446 -8.780 1.00 0.00 H new ATOM 0 HB3 ALA A 298 48.258 -4.246 -8.100 1.00 0.00 H new ATOM 539 N GLU A 299 48.804 -4.557 -5.388 1.00 0.00 N ATOM 540 CA GLU A 299 49.784 -5.005 -4.404 1.00 0.00 C ATOM 541 C GLU A 299 50.100 -3.895 -3.407 1.00 0.00 C ATOM 542 O GLU A 299 51.201 -3.834 -2.860 1.00 0.00 O ATOM 543 CB GLU A 299 51.069 -5.461 -5.100 1.00 0.00 C ATOM 544 CG GLU A 299 50.930 -5.602 -6.607 1.00 0.00 C ATOM 545 CD GLU A 299 52.266 -5.793 -7.300 1.00 0.00 C ATOM 546 OE1 GLU A 299 53.149 -6.453 -6.713 1.00 0.00 O ATOM 547 OE2 GLU A 299 52.428 -5.283 -8.428 1.00 0.00 O ATOM 0 H GLU A 299 49.071 -3.714 -5.896 1.00 0.00 H new ATOM 0 HA GLU A 299 49.355 -5.847 -3.861 1.00 0.00 H new ATOM 0 HB2 GLU A 299 51.863 -4.746 -4.882 1.00 0.00 H new ATOM 0 HB3 GLU A 299 51.378 -6.419 -4.681 1.00 0.00 H new ATOM 0 HG2 GLU A 299 50.284 -6.451 -6.831 1.00 0.00 H new ATOM 0 HG3 GLU A 299 50.440 -4.714 -7.008 1.00 0.00 H new ATOM 554 N PHE A 300 49.127 -3.020 -3.175 1.00 0.00 N ATOM 555 CA PHE A 300 49.301 -1.912 -2.243 1.00 0.00 C ATOM 556 C PHE A 300 50.237 -0.854 -2.821 1.00 0.00 C ATOM 557 O PHE A 300 50.645 0.075 -2.124 1.00 0.00 O ATOM 558 CB PHE A 300 49.851 -2.421 -0.909 1.00 0.00 C ATOM 559 CG PHE A 300 49.087 -1.923 0.284 1.00 0.00 C ATOM 560 CD1 PHE A 300 48.448 -0.693 0.251 1.00 0.00 C ATOM 561 CD2 PHE A 300 49.009 -2.683 1.440 1.00 0.00 C ATOM 562 CE1 PHE A 300 47.746 -0.232 1.348 1.00 0.00 C ATOM 563 CE2 PHE A 300 48.308 -2.227 2.540 1.00 0.00 C ATOM 564 CZ PHE A 300 47.675 -1.000 2.494 1.00 0.00 C ATOM 0 H PHE A 300 48.210 -3.057 -3.620 1.00 0.00 H new ATOM 0 HA PHE A 300 48.325 -1.456 -2.076 1.00 0.00 H new ATOM 0 HB2 PHE A 300 49.836 -3.511 -0.911 1.00 0.00 H new ATOM 0 HB3 PHE A 300 50.894 -2.117 -0.815 1.00 0.00 H new ATOM 0 HD1 PHE A 300 48.500 -0.088 -0.642 1.00 0.00 H new ATOM 0 HD2 PHE A 300 49.502 -3.643 1.482 1.00 0.00 H new ATOM 0 HE1 PHE A 300 47.253 0.728 1.310 1.00 0.00 H new ATOM 0 HE2 PHE A 300 48.255 -2.829 3.435 1.00 0.00 H new ATOM 0 HZ PHE A 300 47.126 -0.642 3.352 1.00 0.00 H new ATOM 574 N GLY A 301 50.575 -1.002 -4.099 1.00 0.00 N ATOM 575 CA GLY A 301 51.459 -0.052 -4.747 1.00 0.00 C ATOM 576 C GLY A 301 52.800 0.063 -4.050 1.00 0.00 C ATOM 577 O GLY A 301 52.861 0.317 -2.847 1.00 0.00 O ATOM 0 H GLY A 301 50.252 -1.763 -4.696 1.00 0.00 H new ATOM 0 HA2 GLY A 301 51.616 -0.355 -5.782 1.00 0.00 H new ATOM 0 HA3 GLY A 301 50.980 0.927 -4.770 1.00 0.00 H new ATOM 581 N GLN A 302 53.876 -0.123 -4.807 1.00 0.00 N ATOM 582 CA GLN A 302 55.223 -0.038 -4.254 1.00 0.00 C ATOM 583 C GLN A 302 56.038 1.036 -4.968 1.00 0.00 C ATOM 584 O GLN A 302 57.236 0.870 -5.196 1.00 0.00 O ATOM 585 CB GLN A 302 55.930 -1.390 -4.367 1.00 0.00 C ATOM 586 CG GLN A 302 55.645 -2.119 -5.670 1.00 0.00 C ATOM 587 CD GLN A 302 56.481 -1.600 -6.823 1.00 0.00 C ATOM 588 OE1 GLN A 302 57.517 -0.967 -6.618 1.00 0.00 O ATOM 589 NE2 GLN A 302 56.034 -1.866 -8.045 1.00 0.00 N ATOM 0 H GLN A 302 53.842 -0.333 -5.804 1.00 0.00 H new ATOM 0 HA GLN A 302 55.140 0.234 -3.202 1.00 0.00 H new ATOM 0 HB2 GLN A 302 57.005 -1.237 -4.274 1.00 0.00 H new ATOM 0 HB3 GLN A 302 55.624 -2.021 -3.533 1.00 0.00 H new ATOM 0 HG2 GLN A 302 55.838 -3.183 -5.536 1.00 0.00 H new ATOM 0 HG3 GLN A 302 54.588 -2.015 -5.917 1.00 0.00 H new ATOM 0 HE21 GLN A 302 55.170 -2.394 -8.168 1.00 0.00 H new ATOM 0 HE22 GLN A 302 56.555 -1.542 -8.860 1.00 0.00 H new ATOM 598 N ALA A 303 55.380 2.136 -5.319 1.00 0.00 N ATOM 599 CA ALA A 303 56.044 3.236 -6.007 1.00 0.00 C ATOM 600 C ALA A 303 57.146 3.839 -5.142 1.00 0.00 C ATOM 601 O ALA A 303 58.257 4.080 -5.613 1.00 0.00 O ATOM 602 CB ALA A 303 55.032 4.303 -6.395 1.00 0.00 C ATOM 0 H ALA A 303 54.388 2.289 -5.138 1.00 0.00 H new ATOM 0 HA ALA A 303 56.504 2.841 -6.913 1.00 0.00 H new ATOM 0 HB1 ALA A 303 55.542 5.119 -6.908 1.00 0.00 H new ATOM 0 HB2 ALA A 303 54.282 3.870 -7.057 1.00 0.00 H new ATOM 0 HB3 ALA A 303 54.546 4.686 -5.498 1.00 0.00 H new ATOM 608 N GLU A 304 56.829 4.079 -3.874 1.00 0.00 N ATOM 609 CA GLU A 304 57.792 4.653 -2.941 1.00 0.00 C ATOM 610 C GLU A 304 57.356 4.421 -1.498 1.00 0.00 C ATOM 611 O GLU A 304 57.405 5.331 -0.670 1.00 0.00 O ATOM 612 CB GLU A 304 57.957 6.151 -3.202 1.00 0.00 C ATOM 613 CG GLU A 304 59.203 6.494 -4.003 1.00 0.00 C ATOM 614 CD GLU A 304 58.885 6.893 -5.431 1.00 0.00 C ATOM 615 OE1 GLU A 304 57.757 6.614 -5.888 1.00 0.00 O ATOM 616 OE2 GLU A 304 59.765 7.484 -6.092 1.00 0.00 O ATOM 0 H GLU A 304 55.913 3.885 -3.469 1.00 0.00 H new ATOM 0 HA GLU A 304 58.750 4.157 -3.096 1.00 0.00 H new ATOM 0 HB2 GLU A 304 57.080 6.518 -3.735 1.00 0.00 H new ATOM 0 HB3 GLU A 304 57.992 6.676 -2.248 1.00 0.00 H new ATOM 0 HG2 GLU A 304 59.734 7.309 -3.511 1.00 0.00 H new ATOM 0 HG3 GLU A 304 59.874 5.635 -4.010 1.00 0.00 H new ATOM 623 N SER A 305 56.928 3.198 -1.203 1.00 0.00 N ATOM 624 CA SER A 305 56.482 2.846 0.140 1.00 0.00 C ATOM 625 C SER A 305 56.693 1.359 0.410 1.00 0.00 C ATOM 626 O SER A 305 55.807 0.682 0.932 1.00 0.00 O ATOM 627 CB SER A 305 55.006 3.205 0.320 1.00 0.00 C ATOM 628 OG SER A 305 54.380 3.431 -0.930 1.00 0.00 O ATOM 0 H SER A 305 56.881 2.433 -1.877 1.00 0.00 H new ATOM 0 HA SER A 305 57.076 3.415 0.855 1.00 0.00 H new ATOM 0 HB2 SER A 305 54.494 2.399 0.846 1.00 0.00 H new ATOM 0 HB3 SER A 305 54.919 4.097 0.941 1.00 0.00 H new ATOM 0 HG SER A 305 53.437 3.657 -0.788 1.00 0.00 H new ATOM 634 N ALA A 306 57.870 0.859 0.049 1.00 0.00 N ATOM 635 CA ALA A 306 58.198 -0.547 0.251 1.00 0.00 C ATOM 636 C ALA A 306 59.038 -0.741 1.509 1.00 0.00 C ATOM 637 O ALA A 306 60.263 -0.846 1.439 1.00 0.00 O ATOM 638 CB ALA A 306 58.929 -1.097 -0.964 1.00 0.00 C ATOM 0 H ALA A 306 58.613 1.407 -0.385 1.00 0.00 H new ATOM 0 HA ALA A 306 57.266 -1.097 0.381 1.00 0.00 H new ATOM 0 HB1 ALA A 306 59.168 -2.148 -0.800 1.00 0.00 H new ATOM 0 HB2 ALA A 306 58.293 -1.003 -1.845 1.00 0.00 H new ATOM 0 HB3 ALA A 306 59.850 -0.535 -1.119 1.00 0.00 H new ATOM 644 N ASP A 307 58.373 -0.789 2.658 1.00 0.00 N ATOM 645 CA ASP A 307 59.060 -0.972 3.932 1.00 0.00 C ATOM 646 C ASP A 307 58.435 -2.111 4.730 1.00 0.00 C ATOM 647 O ASP A 307 57.500 -1.842 5.513 1.00 0.00 O ATOM 648 CB ASP A 307 59.018 0.321 4.748 1.00 0.00 C ATOM 649 CG ASP A 307 59.973 0.294 5.925 1.00 0.00 C ATOM 650 OD1 ASP A 307 59.911 -0.670 6.717 1.00 0.00 O ATOM 651 OD2 ASP A 307 60.782 1.236 6.055 1.00 0.00 O ATOM 652 OXT ASP A 307 58.886 -3.265 4.565 1.00 0.00 O ATOM 0 H ASP A 307 57.359 -0.704 2.734 1.00 0.00 H new ATOM 0 HA ASP A 307 60.099 -1.228 3.722 1.00 0.00 H new ATOM 0 HB2 ASP A 307 59.266 1.163 4.102 1.00 0.00 H new ATOM 0 HB3 ASP A 307 58.003 0.485 5.111 1.00 0.00 H new TER 657 ASP A 307