USER MOD reduce.3.24.130724 H: found=0, std=0, add=282, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 283 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 Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl -154:sc= -0.244 (180deg=-0.619) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 158:sc= -0.935 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 MET CE :methyl -140:sc= -0.36 (180deg=-1.84!) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 91 N LEU A 10 19.627 -4.280 0.137 1.00 0.00 N ATOM 92 CA LEU A 10 19.224 -4.526 1.512 1.00 0.00 C ATOM 93 C LEU A 10 18.331 -5.767 1.562 1.00 0.00 C ATOM 94 O LEU A 10 18.701 -6.779 2.156 1.00 0.00 O ATOM 95 CB LEU A 10 18.576 -3.277 2.112 1.00 0.00 C ATOM 96 CG LEU A 10 19.515 -2.101 2.388 1.00 0.00 C ATOM 97 CD1 LEU A 10 19.855 -1.356 1.096 1.00 0.00 C ATOM 98 CD2 LEU A 10 18.928 -1.169 3.450 1.00 0.00 C ATOM 0 HA LEU A 10 20.095 -4.734 2.133 1.00 0.00 H new ATOM 0 HB2 LEU A 10 17.791 -2.939 1.436 1.00 0.00 H new ATOM 0 HB3 LEU A 10 18.092 -3.557 3.048 1.00 0.00 H new ATOM 0 HG LEU A 10 20.449 -2.496 2.787 1.00 0.00 H new ATOM 0 HD11 LEU A 10 20.524 -0.525 1.320 1.00 0.00 H new ATOM 0 HD12 LEU A 10 20.344 -2.038 0.401 1.00 0.00 H new ATOM 0 HD13 LEU A 10 18.939 -0.973 0.645 1.00 0.00 H new ATOM 0 HD21 LEU A 10 19.615 -0.342 3.628 1.00 0.00 H new ATOM 0 HD22 LEU A 10 17.971 -0.778 3.103 1.00 0.00 H new ATOM 0 HD23 LEU A 10 18.779 -1.722 4.377 1.00 0.00 H new ATOM 110 N THR A 11 17.172 -5.649 0.931 1.00 0.00 N ATOM 111 CA THR A 11 16.224 -6.749 0.896 1.00 0.00 C ATOM 112 C THR A 11 15.289 -6.610 -0.307 1.00 0.00 C ATOM 113 O THR A 11 15.305 -5.590 -0.995 1.00 0.00 O ATOM 114 CB THR A 11 15.487 -6.781 2.237 1.00 0.00 C ATOM 115 OG1 THR A 11 15.008 -5.449 2.401 1.00 0.00 O ATOM 116 CG2 THR A 11 16.435 -6.985 3.421 1.00 0.00 C ATOM 0 H THR A 11 16.868 -4.808 0.440 1.00 0.00 H new ATOM 0 HA THR A 11 16.732 -7.704 0.764 1.00 0.00 H new ATOM 0 HB THR A 11 14.745 -7.579 2.225 1.00 0.00 H new ATOM 0 HG1 THR A 11 14.516 -5.380 3.246 1.00 0.00 H new ATOM 0 HG21 THR A 11 15.862 -7.000 4.348 1.00 0.00 H new ATOM 0 HG22 THR A 11 16.963 -7.932 3.306 1.00 0.00 H new ATOM 0 HG23 THR A 11 17.157 -6.169 3.454 1.00 0.00 H new ATOM 124 N ALA A 12 14.497 -7.649 -0.525 1.00 0.00 N ATOM 125 CA ALA A 12 13.557 -7.655 -1.633 1.00 0.00 C ATOM 126 C ALA A 12 12.672 -6.410 -1.552 1.00 0.00 C ATOM 127 O ALA A 12 12.390 -5.777 -2.569 1.00 0.00 O ATOM 128 CB ALA A 12 12.744 -8.951 -1.606 1.00 0.00 C ATOM 0 H ALA A 12 14.487 -8.493 0.047 1.00 0.00 H new ATOM 0 HA ALA A 12 14.086 -7.622 -2.585 1.00 0.00 H new ATOM 0 HB1 ALA A 12 12.039 -8.956 -2.437 1.00 0.00 H new ATOM 0 HB2 ALA A 12 13.416 -9.804 -1.696 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.197 -9.018 -0.666 1.00 0.00 H new ATOM 134 N LEU A 13 12.258 -6.096 -0.333 1.00 0.00 N ATOM 135 CA LEU A 13 11.410 -4.937 -0.107 1.00 0.00 C ATOM 136 C LEU A 13 12.196 -3.665 -0.429 1.00 0.00 C ATOM 137 O LEU A 13 11.898 -2.977 -1.404 1.00 0.00 O ATOM 138 CB LEU A 13 10.835 -4.963 1.311 1.00 0.00 C ATOM 139 CG LEU A 13 9.324 -4.758 1.426 1.00 0.00 C ATOM 140 CD1 LEU A 13 8.863 -3.580 0.564 1.00 0.00 C ATOM 141 CD2 LEU A 13 8.568 -6.045 1.088 1.00 0.00 C ATOM 0 H LEU A 13 12.494 -6.623 0.508 1.00 0.00 H new ATOM 0 HA LEU A 13 10.549 -4.958 -0.776 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.087 -5.921 1.766 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.332 -4.190 1.897 1.00 0.00 H new ATOM 0 HG LEU A 13 9.091 -4.510 2.462 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.785 -3.456 0.664 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.365 -2.670 0.893 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.111 -3.774 -0.480 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.496 -5.871 1.178 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.803 -6.347 0.067 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.867 -6.834 1.778 1.00 0.00 H new ATOM 153 N GLU A 14 13.185 -3.390 0.410 1.00 0.00 N ATOM 154 CA GLU A 14 14.016 -2.213 0.227 1.00 0.00 C ATOM 155 C GLU A 14 14.361 -2.031 -1.253 1.00 0.00 C ATOM 156 O GLU A 14 14.136 -0.963 -1.820 1.00 0.00 O ATOM 157 CB GLU A 14 15.284 -2.298 1.079 1.00 0.00 C ATOM 158 CG GLU A 14 14.965 -2.084 2.560 1.00 0.00 C ATOM 159 CD GLU A 14 14.435 -0.670 2.808 1.00 0.00 C ATOM 160 OE1 GLU A 14 13.207 -0.490 2.659 1.00 0.00 O ATOM 161 OE2 GLU A 14 15.270 0.198 3.140 1.00 0.00 O ATOM 0 H GLU A 14 13.429 -3.963 1.218 1.00 0.00 H new ATOM 0 HA GLU A 14 13.453 -1.341 0.559 1.00 0.00 H new ATOM 0 HB2 GLU A 14 15.754 -3.272 0.942 1.00 0.00 H new ATOM 0 HB3 GLU A 14 16.001 -1.548 0.746 1.00 0.00 H new ATOM 0 HG2 GLU A 14 14.226 -2.816 2.886 1.00 0.00 H new ATOM 0 HG3 GLU A 14 15.862 -2.250 3.157 1.00 0.00 H new ATOM 168 N SER A 15 14.901 -3.091 -1.836 1.00 0.00 N ATOM 169 CA SER A 15 15.280 -3.062 -3.239 1.00 0.00 C ATOM 170 C SER A 15 14.177 -2.396 -4.064 1.00 0.00 C ATOM 171 O SER A 15 14.403 -1.359 -4.686 1.00 0.00 O ATOM 172 CB SER A 15 15.557 -4.472 -3.763 1.00 0.00 C ATOM 173 OG SER A 15 16.932 -4.825 -3.644 1.00 0.00 O ATOM 0 H SER A 15 15.085 -3.976 -1.363 1.00 0.00 H new ATOM 0 HA SER A 15 16.198 -2.481 -3.335 1.00 0.00 H new ATOM 0 HB2 SER A 15 14.949 -5.190 -3.212 1.00 0.00 H new ATOM 0 HB3 SER A 15 15.255 -4.536 -4.808 1.00 0.00 H new ATOM 0 HG SER A 15 17.068 -5.733 -3.988 1.00 0.00 H new ATOM 179 N LEU A 16 13.008 -3.018 -4.043 1.00 0.00 N ATOM 180 CA LEU A 16 11.870 -2.498 -4.782 1.00 0.00 C ATOM 181 C LEU A 16 11.697 -1.012 -4.465 1.00 0.00 C ATOM 182 O LEU A 16 11.662 -0.180 -5.370 1.00 0.00 O ATOM 183 CB LEU A 16 10.621 -3.336 -4.501 1.00 0.00 C ATOM 184 CG LEU A 16 10.618 -4.751 -5.081 1.00 0.00 C ATOM 185 CD1 LEU A 16 9.216 -5.363 -5.028 1.00 0.00 C ATOM 186 CD2 LEU A 16 11.196 -4.764 -6.498 1.00 0.00 C ATOM 0 H LEU A 16 12.824 -3.878 -3.526 1.00 0.00 H new ATOM 0 HA LEU A 16 12.044 -2.577 -5.855 1.00 0.00 H new ATOM 0 HB2 LEU A 16 10.491 -3.407 -3.421 1.00 0.00 H new ATOM 0 HB3 LEU A 16 9.754 -2.803 -4.892 1.00 0.00 H new ATOM 0 HG LEU A 16 11.265 -5.374 -4.464 1.00 0.00 H new ATOM 0 HD11 LEU A 16 9.242 -6.369 -5.447 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.878 -5.409 -3.993 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.528 -4.747 -5.607 1.00 0.00 H new ATOM 0 HD21 LEU A 16 11.182 -5.782 -6.887 1.00 0.00 H new ATOM 0 HD22 LEU A 16 10.596 -4.121 -7.142 1.00 0.00 H new ATOM 0 HD23 LEU A 16 12.222 -4.398 -6.476 1.00 0.00 H new ATOM 198 N ILE A 17 11.595 -0.722 -3.176 1.00 0.00 N ATOM 199 CA ILE A 17 11.427 0.650 -2.728 1.00 0.00 C ATOM 200 C ILE A 17 12.500 1.528 -3.374 1.00 0.00 C ATOM 201 O ILE A 17 12.272 2.710 -3.625 1.00 0.00 O ATOM 202 CB ILE A 17 11.416 0.717 -1.199 1.00 0.00 C ATOM 203 CG1 ILE A 17 10.227 -0.056 -0.625 1.00 0.00 C ATOM 204 CG2 ILE A 17 11.445 2.168 -0.714 1.00 0.00 C ATOM 205 CD1 ILE A 17 10.405 -0.301 0.875 1.00 0.00 C ATOM 0 H ILE A 17 11.625 -1.414 -2.427 1.00 0.00 H new ATOM 0 HA ILE A 17 10.461 1.039 -3.048 1.00 0.00 H new ATOM 0 HB ILE A 17 12.321 0.236 -0.829 1.00 0.00 H new ATOM 0 HG12 ILE A 17 9.307 0.502 -0.799 1.00 0.00 H new ATOM 0 HG13 ILE A 17 10.124 -1.009 -1.143 1.00 0.00 H new ATOM 0 HG21 ILE A 17 11.436 2.188 0.376 1.00 0.00 H new ATOM 0 HG22 ILE A 17 12.349 2.656 -1.079 1.00 0.00 H new ATOM 0 HG23 ILE A 17 10.570 2.696 -1.093 1.00 0.00 H new ATOM 0 HD11 ILE A 17 9.546 -0.852 1.258 1.00 0.00 H new ATOM 0 HD12 ILE A 17 11.313 -0.880 1.044 1.00 0.00 H new ATOM 0 HD13 ILE A 17 10.483 0.655 1.393 1.00 0.00 H new ATOM 217 N GLU A 18 13.648 0.915 -3.626 1.00 0.00 N ATOM 218 CA GLU A 18 14.757 1.626 -4.238 1.00 0.00 C ATOM 219 C GLU A 18 14.466 1.891 -5.717 1.00 0.00 C ATOM 220 O GLU A 18 14.905 2.900 -6.268 1.00 0.00 O ATOM 221 CB GLU A 18 16.066 0.852 -4.067 1.00 0.00 C ATOM 222 CG GLU A 18 17.059 1.637 -3.208 1.00 0.00 C ATOM 223 CD GLU A 18 18.160 2.258 -4.072 1.00 0.00 C ATOM 224 OE1 GLU A 18 17.815 3.153 -4.874 1.00 0.00 O ATOM 225 OE2 GLU A 18 19.320 1.824 -3.910 1.00 0.00 O ATOM 0 H GLU A 18 13.833 -0.066 -3.417 1.00 0.00 H new ATOM 0 HA GLU A 18 14.872 2.585 -3.733 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.864 -0.114 -3.604 1.00 0.00 H new ATOM 0 HB3 GLU A 18 16.504 0.652 -5.045 1.00 0.00 H new ATOM 0 HG2 GLU A 18 16.533 2.421 -2.663 1.00 0.00 H new ATOM 0 HG3 GLU A 18 17.504 0.976 -2.465 1.00 0.00 H new ATOM 232 N MET A 19 13.728 0.969 -6.316 1.00 0.00 N ATOM 233 CA MET A 19 13.374 1.091 -7.720 1.00 0.00 C ATOM 234 C MET A 19 12.456 2.293 -7.952 1.00 0.00 C ATOM 235 O MET A 19 12.353 2.794 -9.070 1.00 0.00 O ATOM 236 CB MET A 19 12.669 -0.187 -8.182 1.00 0.00 C ATOM 237 CG MET A 19 13.612 -1.389 -8.111 1.00 0.00 C ATOM 238 SD MET A 19 13.878 -2.053 -9.746 1.00 0.00 S ATOM 239 CE MET A 19 13.311 -3.727 -9.497 1.00 0.00 C ATOM 0 H MET A 19 13.365 0.134 -5.855 1.00 0.00 H new ATOM 0 HA MET A 19 14.288 1.240 -8.294 1.00 0.00 H new ATOM 0 HB2 MET A 19 11.794 -0.370 -7.559 1.00 0.00 H new ATOM 0 HB3 MET A 19 12.312 -0.060 -9.204 1.00 0.00 H new ATOM 0 HG2 MET A 19 14.564 -1.090 -7.672 1.00 0.00 H new ATOM 0 HG3 MET A 19 13.189 -2.156 -7.462 1.00 0.00 H new ATOM 0 HE1 MET A 19 13.804 -4.388 -10.210 1.00 0.00 H new ATOM 0 HE2 MET A 19 13.550 -4.045 -8.482 1.00 0.00 H new ATOM 0 HE3 MET A 19 12.232 -3.772 -9.646 1.00 0.00 H new ATOM 249 N GLY A 20 11.811 2.720 -6.876 1.00 0.00 N ATOM 250 CA GLY A 20 10.905 3.854 -6.947 1.00 0.00 C ATOM 251 C GLY A 20 9.456 3.412 -6.733 1.00 0.00 C ATOM 252 O GLY A 20 8.527 4.080 -7.183 1.00 0.00 O ATOM 0 H GLY A 20 11.898 2.301 -5.950 1.00 0.00 H new ATOM 0 HA2 GLY A 20 11.179 4.591 -6.192 1.00 0.00 H new ATOM 0 HA3 GLY A 20 11.001 4.341 -7.918 1.00 0.00 H new ATOM 256 N PHE A 21 9.309 2.290 -6.045 1.00 0.00 N ATOM 257 CA PHE A 21 7.989 1.751 -5.765 1.00 0.00 C ATOM 258 C PHE A 21 7.561 2.065 -4.330 1.00 0.00 C ATOM 259 O PHE A 21 8.404 2.229 -3.449 1.00 0.00 O ATOM 260 CB PHE A 21 8.080 0.233 -5.936 1.00 0.00 C ATOM 261 CG PHE A 21 7.868 -0.245 -7.374 1.00 0.00 C ATOM 262 CD1 PHE A 21 6.680 -0.020 -7.997 1.00 0.00 C ATOM 263 CD2 PHE A 21 8.868 -0.894 -8.029 1.00 0.00 C ATOM 264 CE1 PHE A 21 6.484 -0.464 -9.332 1.00 0.00 C ATOM 265 CE2 PHE A 21 8.671 -1.338 -9.364 1.00 0.00 C ATOM 266 CZ PHE A 21 7.483 -1.113 -9.987 1.00 0.00 C ATOM 0 H PHE A 21 10.082 1.739 -5.673 1.00 0.00 H new ATOM 0 HA PHE A 21 7.256 2.194 -6.440 1.00 0.00 H new ATOM 0 HB2 PHE A 21 9.059 -0.103 -5.593 1.00 0.00 H new ATOM 0 HB3 PHE A 21 7.337 -0.240 -5.294 1.00 0.00 H new ATOM 0 HD1 PHE A 21 5.886 0.496 -7.477 1.00 0.00 H new ATOM 0 HD2 PHE A 21 9.811 -1.072 -7.534 1.00 0.00 H new ATOM 0 HE1 PHE A 21 5.541 -0.286 -9.827 1.00 0.00 H new ATOM 0 HE2 PHE A 21 9.464 -1.854 -9.884 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.333 -1.450 -11.002 1.00 0.00 H new ATOM 276 N PRO A 22 6.218 2.143 -4.135 1.00 0.00 N ATOM 277 CA PRO A 22 5.667 2.435 -2.822 1.00 0.00 C ATOM 278 C PRO A 22 5.766 1.216 -1.903 1.00 0.00 C ATOM 279 O PRO A 22 5.522 0.089 -2.332 1.00 0.00 O ATOM 280 CB PRO A 22 4.234 2.868 -3.084 1.00 0.00 C ATOM 281 CG PRO A 22 3.892 2.360 -4.475 1.00 0.00 C ATOM 282 CD PRO A 22 5.190 1.955 -5.155 1.00 0.00 C ATOM 0 HA PRO A 22 6.216 3.219 -2.300 1.00 0.00 H new ATOM 0 HB2 PRO A 22 3.557 2.450 -2.339 1.00 0.00 H new ATOM 0 HB3 PRO A 22 4.138 3.952 -3.030 1.00 0.00 H new ATOM 0 HG2 PRO A 22 3.211 1.511 -4.415 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.385 3.135 -5.050 1.00 0.00 H new ATOM 0 HD2 PRO A 22 5.153 0.920 -5.494 1.00 0.00 H new ATOM 0 HD3 PRO A 22 5.386 2.571 -6.033 1.00 0.00 H new ATOM 290 N ARG A 23 6.123 1.483 -0.655 1.00 0.00 N ATOM 291 CA ARG A 23 6.256 0.422 0.328 1.00 0.00 C ATOM 292 C ARG A 23 5.020 -0.480 0.306 1.00 0.00 C ATOM 293 O ARG A 23 5.130 -1.684 0.076 1.00 0.00 O ATOM 294 CB ARG A 23 6.435 0.995 1.736 1.00 0.00 C ATOM 295 CG ARG A 23 7.042 -0.046 2.678 1.00 0.00 C ATOM 296 CD ARG A 23 8.178 0.559 3.506 1.00 0.00 C ATOM 297 NE ARG A 23 8.848 -0.499 4.295 1.00 0.00 N ATOM 298 CZ ARG A 23 10.035 -0.348 4.898 1.00 0.00 C ATOM 299 NH1 ARG A 23 10.691 0.817 4.805 1.00 0.00 N ATOM 300 NH2 ARG A 23 10.567 -1.362 5.593 1.00 0.00 N ATOM 0 H ARG A 23 6.324 2.419 -0.303 1.00 0.00 H new ATOM 0 HA ARG A 23 7.140 -0.161 0.069 1.00 0.00 H new ATOM 0 HB2 ARG A 23 7.079 1.874 1.696 1.00 0.00 H new ATOM 0 HB3 ARG A 23 5.471 1.324 2.124 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.270 -0.434 3.342 1.00 0.00 H new ATOM 0 HG3 ARG A 23 7.418 -0.890 2.099 1.00 0.00 H new ATOM 0 HD2 ARG A 23 8.899 1.046 2.849 1.00 0.00 H new ATOM 0 HD3 ARG A 23 7.785 1.327 4.172 1.00 0.00 H new ATOM 0 HE ARG A 23 8.377 -1.399 4.385 1.00 0.00 H new ATOM 0 HH11 ARG A 23 10.287 1.589 4.275 1.00 0.00 H new ATOM 0 HH12 ARG A 23 11.595 0.932 5.264 1.00 0.00 H new ATOM 0 HH21 ARG A 23 10.069 -2.249 5.663 1.00 0.00 H new ATOM 0 HH22 ARG A 23 11.471 -1.247 6.052 1.00 0.00 H new ATOM 314 N GLY A 24 3.873 0.136 0.549 1.00 0.00 N ATOM 315 CA GLY A 24 2.618 -0.597 0.559 1.00 0.00 C ATOM 316 C GLY A 24 2.591 -1.655 -0.545 1.00 0.00 C ATOM 317 O GLY A 24 2.309 -2.823 -0.284 1.00 0.00 O ATOM 0 H GLY A 24 3.786 1.134 0.740 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.480 -1.075 1.529 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.787 0.096 0.424 1.00 0.00 H new ATOM 321 N ARG A 25 2.889 -1.207 -1.757 1.00 0.00 N ATOM 322 CA ARG A 25 2.902 -2.101 -2.902 1.00 0.00 C ATOM 323 C ARG A 25 3.944 -3.204 -2.703 1.00 0.00 C ATOM 324 O ARG A 25 3.593 -4.372 -2.540 1.00 0.00 O ATOM 325 CB ARG A 25 3.216 -1.339 -4.191 1.00 0.00 C ATOM 326 CG ARG A 25 1.949 -1.115 -5.018 1.00 0.00 C ATOM 327 CD ARG A 25 2.287 -0.525 -6.389 1.00 0.00 C ATOM 328 NE ARG A 25 1.403 0.627 -6.677 1.00 0.00 N ATOM 329 CZ ARG A 25 1.287 1.203 -7.881 1.00 0.00 C ATOM 330 NH1 ARG A 25 1.998 0.738 -8.917 1.00 0.00 N ATOM 331 NH2 ARG A 25 0.460 2.244 -8.049 1.00 0.00 N ATOM 0 H ARG A 25 3.123 -0.237 -1.970 1.00 0.00 H new ATOM 0 HA ARG A 25 1.910 -2.545 -2.988 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.671 -0.379 -3.948 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.945 -1.897 -4.779 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.421 -2.060 -5.145 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.276 -0.443 -4.485 1.00 0.00 H new ATOM 0 HD2 ARG A 25 3.330 -0.208 -6.410 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.169 -1.286 -7.160 1.00 0.00 H new ATOM 0 HE ARG A 25 0.847 1.006 -5.910 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.627 -0.054 -8.789 1.00 0.00 H new ATOM 0 HH12 ARG A 25 1.910 1.176 -9.834 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -0.081 2.598 -7.260 1.00 0.00 H new ATOM 0 HH22 ARG A 25 0.372 2.682 -8.966 1.00 0.00 H new ATOM 345 N ALA A 26 5.203 -2.794 -2.721 1.00 0.00 N ATOM 346 CA ALA A 26 6.298 -3.733 -2.544 1.00 0.00 C ATOM 347 C ALA A 26 5.946 -4.717 -1.427 1.00 0.00 C ATOM 348 O ALA A 26 5.926 -5.927 -1.644 1.00 0.00 O ATOM 349 CB ALA A 26 7.590 -2.964 -2.258 1.00 0.00 C ATOM 0 H ALA A 26 5.490 -1.824 -2.855 1.00 0.00 H new ATOM 0 HA ALA A 26 6.458 -4.311 -3.454 1.00 0.00 H new ATOM 0 HB1 ALA A 26 8.411 -3.669 -2.125 1.00 0.00 H new ATOM 0 HB2 ALA A 26 7.812 -2.302 -3.095 1.00 0.00 H new ATOM 0 HB3 ALA A 26 7.468 -2.373 -1.350 1.00 0.00 H new ATOM 355 N GLU A 27 5.676 -4.160 -0.255 1.00 0.00 N ATOM 356 CA GLU A 27 5.325 -4.972 0.897 1.00 0.00 C ATOM 357 C GLU A 27 4.187 -5.932 0.542 1.00 0.00 C ATOM 358 O GLU A 27 4.316 -7.143 0.713 1.00 0.00 O ATOM 359 CB GLU A 27 4.950 -4.095 2.093 1.00 0.00 C ATOM 360 CG GLU A 27 6.168 -3.331 2.616 1.00 0.00 C ATOM 361 CD GLU A 27 6.888 -4.127 3.707 1.00 0.00 C ATOM 362 OE1 GLU A 27 6.861 -5.373 3.612 1.00 0.00 O ATOM 363 OE2 GLU A 27 7.448 -3.471 4.611 1.00 0.00 O ATOM 0 H GLU A 27 5.693 -3.155 -0.079 1.00 0.00 H new ATOM 0 HA GLU A 27 6.197 -5.562 1.181 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.172 -3.390 1.802 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.537 -4.716 2.888 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.855 -3.129 1.794 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.853 -2.366 3.013 1.00 0.00 H new ATOM 370 N LYS A 28 3.098 -5.354 0.056 1.00 0.00 N ATOM 371 CA LYS A 28 1.938 -6.143 -0.324 1.00 0.00 C ATOM 372 C LYS A 28 2.368 -7.232 -1.309 1.00 0.00 C ATOM 373 O LYS A 28 1.986 -8.392 -1.163 1.00 0.00 O ATOM 374 CB LYS A 28 0.825 -5.237 -0.855 1.00 0.00 C ATOM 375 CG LYS A 28 -0.319 -6.064 -1.444 1.00 0.00 C ATOM 376 CD LYS A 28 -1.596 -5.229 -1.558 1.00 0.00 C ATOM 377 CE LYS A 28 -2.831 -6.127 -1.667 1.00 0.00 C ATOM 378 NZ LYS A 28 -4.057 -5.308 -1.798 1.00 0.00 N ATOM 0 H LYS A 28 2.994 -4.349 -0.083 1.00 0.00 H new ATOM 0 HA LYS A 28 1.518 -6.648 0.546 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.447 -4.608 -0.049 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.227 -4.570 -1.618 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.034 -6.436 -2.428 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.504 -6.935 -0.815 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.689 -4.580 -0.687 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.534 -4.581 -2.433 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.733 -6.787 -2.529 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.904 -6.764 -0.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.885 -5.932 -1.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.157 -4.696 -0.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.991 -4.719 -2.653 1.00 0.00 H new ATOM 392 N ALA A 29 3.157 -6.820 -2.291 1.00 0.00 N ATOM 393 CA ALA A 29 3.642 -7.746 -3.299 1.00 0.00 C ATOM 394 C ALA A 29 4.469 -8.842 -2.624 1.00 0.00 C ATOM 395 O ALA A 29 4.059 -10.001 -2.590 1.00 0.00 O ATOM 396 CB ALA A 29 4.442 -6.979 -4.354 1.00 0.00 C ATOM 0 H ALA A 29 3.472 -5.857 -2.409 1.00 0.00 H new ATOM 0 HA ALA A 29 2.808 -8.229 -3.809 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.806 -7.674 -5.111 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.802 -6.233 -4.825 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.289 -6.483 -3.879 1.00 0.00 H new ATOM 402 N LEU A 30 5.618 -8.436 -2.103 1.00 0.00 N ATOM 403 CA LEU A 30 6.506 -9.369 -1.431 1.00 0.00 C ATOM 404 C LEU A 30 5.700 -10.203 -0.432 1.00 0.00 C ATOM 405 O LEU A 30 6.050 -11.348 -0.150 1.00 0.00 O ATOM 406 CB LEU A 30 7.686 -8.626 -0.801 1.00 0.00 C ATOM 407 CG LEU A 30 8.841 -8.282 -1.743 1.00 0.00 C ATOM 408 CD1 LEU A 30 9.204 -9.478 -2.626 1.00 0.00 C ATOM 409 CD2 LEU A 30 8.521 -7.035 -2.570 1.00 0.00 C ATOM 0 H LEU A 30 5.954 -7.473 -2.133 1.00 0.00 H new ATOM 0 HA LEU A 30 6.943 -10.064 -2.148 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.314 -7.701 -0.361 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.078 -9.232 0.016 1.00 0.00 H new ATOM 0 HG LEU A 30 9.718 -8.051 -1.138 1.00 0.00 H new ATOM 0 HD11 LEU A 30 10.028 -9.206 -3.286 1.00 0.00 H new ATOM 0 HD12 LEU A 30 9.504 -10.317 -1.998 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.339 -9.764 -3.224 1.00 0.00 H new ATOM 0 HD21 LEU A 30 9.358 -6.812 -3.231 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.626 -7.213 -3.166 1.00 0.00 H new ATOM 0 HD23 LEU A 30 8.351 -6.190 -1.903 1.00 0.00 H new ATOM 421 N ALA A 31 4.637 -9.596 0.075 1.00 0.00 N ATOM 422 CA ALA A 31 3.779 -10.269 1.036 1.00 0.00 C ATOM 423 C ALA A 31 3.017 -11.394 0.333 1.00 0.00 C ATOM 424 O ALA A 31 3.116 -12.555 0.726 1.00 0.00 O ATOM 425 CB ALA A 31 2.843 -9.248 1.687 1.00 0.00 C ATOM 0 H ALA A 31 4.350 -8.646 -0.161 1.00 0.00 H new ATOM 0 HA ALA A 31 4.373 -10.720 1.831 1.00 0.00 H new ATOM 0 HB1 ALA A 31 2.199 -9.752 2.408 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.433 -8.487 2.198 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.229 -8.776 0.920 1.00 0.00 H new ATOM 431 N LEU A 32 2.274 -11.010 -0.694 1.00 0.00 N ATOM 432 CA LEU A 32 1.495 -11.972 -1.455 1.00 0.00 C ATOM 433 C LEU A 32 2.418 -13.084 -1.959 1.00 0.00 C ATOM 434 O LEU A 32 2.169 -14.262 -1.709 1.00 0.00 O ATOM 435 CB LEU A 32 0.714 -11.269 -2.568 1.00 0.00 C ATOM 436 CG LEU A 32 -0.550 -10.526 -2.133 1.00 0.00 C ATOM 437 CD1 LEU A 32 -1.807 -11.299 -2.536 1.00 0.00 C ATOM 438 CD2 LEU A 32 -0.520 -10.223 -0.634 1.00 0.00 C ATOM 0 H LEU A 32 2.195 -10.046 -1.017 1.00 0.00 H new ATOM 0 HA LEU A 32 0.745 -12.443 -0.820 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.379 -10.558 -3.058 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.436 -12.012 -3.315 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.579 -9.569 -2.654 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.691 -10.749 -2.215 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.828 -11.420 -3.619 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.798 -12.280 -2.062 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.430 -9.694 -0.351 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.454 -11.157 -0.075 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.346 -9.602 -0.406 1.00 0.00 H new ATOM 450 N THR A 33 3.463 -12.669 -2.660 1.00 0.00 N ATOM 451 CA THR A 33 4.424 -13.615 -3.201 1.00 0.00 C ATOM 452 C THR A 33 4.994 -14.493 -2.085 1.00 0.00 C ATOM 453 O THR A 33 5.062 -15.714 -2.224 1.00 0.00 O ATOM 454 CB THR A 33 5.493 -12.823 -3.957 1.00 0.00 C ATOM 455 OG1 THR A 33 6.177 -12.102 -2.937 1.00 0.00 O ATOM 456 CG2 THR A 33 4.893 -11.732 -4.846 1.00 0.00 C ATOM 0 H THR A 33 3.665 -11.691 -2.866 1.00 0.00 H new ATOM 0 HA THR A 33 3.951 -14.302 -3.903 1.00 0.00 H new ATOM 0 HB THR A 33 6.086 -13.504 -4.568 1.00 0.00 H new ATOM 0 HG1 THR A 33 7.070 -11.853 -3.255 1.00 0.00 H new ATOM 0 HG21 THR A 33 5.694 -11.200 -5.360 1.00 0.00 H new ATOM 0 HG22 THR A 33 4.229 -12.186 -5.581 1.00 0.00 H new ATOM 0 HG23 THR A 33 4.328 -11.031 -4.231 1.00 0.00 H new ATOM 464 N GLY A 34 5.390 -13.838 -1.004 1.00 0.00 N ATOM 465 CA GLY A 34 5.952 -14.544 0.135 1.00 0.00 C ATOM 466 C GLY A 34 7.462 -14.314 0.232 1.00 0.00 C ATOM 467 O GLY A 34 8.218 -15.243 0.511 1.00 0.00 O ATOM 0 H GLY A 34 5.333 -12.826 -0.892 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.469 -14.205 1.052 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.748 -15.611 0.043 1.00 0.00 H new ATOM 471 N ASN A 35 7.855 -13.071 -0.004 1.00 0.00 N ATOM 472 CA ASN A 35 9.261 -12.708 0.053 1.00 0.00 C ATOM 473 C ASN A 35 10.080 -13.729 -0.739 1.00 0.00 C ATOM 474 O ASN A 35 10.906 -14.442 -0.171 1.00 0.00 O ATOM 475 CB ASN A 35 9.771 -12.708 1.495 1.00 0.00 C ATOM 476 CG ASN A 35 9.377 -11.418 2.217 1.00 0.00 C ATOM 477 OD1 ASN A 35 9.965 -10.366 2.028 1.00 0.00 O ATOM 478 ND2 ASN A 35 8.351 -11.557 3.051 1.00 0.00 N ATOM 0 H ASN A 35 7.225 -12.303 -0.235 1.00 0.00 H new ATOM 0 HA ASN A 35 9.369 -11.708 -0.368 1.00 0.00 H new ATOM 0 HB2 ASN A 35 9.363 -13.566 2.029 1.00 0.00 H new ATOM 0 HB3 ASN A 35 10.856 -12.815 1.501 1.00 0.00 H new ATOM 0 HD21 ASN A 35 8.011 -10.754 3.580 1.00 0.00 H new ATOM 0 HD22 ASN A 35 7.904 -12.467 3.162 1.00 0.00 H new ATOM 485 N GLN A 36 9.822 -13.767 -2.038 1.00 0.00 N ATOM 486 CA GLN A 36 10.526 -14.689 -2.914 1.00 0.00 C ATOM 487 C GLN A 36 11.677 -13.973 -3.624 1.00 0.00 C ATOM 488 O GLN A 36 12.778 -14.511 -3.726 1.00 0.00 O ATOM 489 CB GLN A 36 9.568 -15.324 -3.924 1.00 0.00 C ATOM 490 CG GLN A 36 8.553 -16.229 -3.224 1.00 0.00 C ATOM 491 CD GLN A 36 9.068 -17.668 -3.140 1.00 0.00 C ATOM 492 OE1 GLN A 36 9.599 -18.107 -2.133 1.00 0.00 O ATOM 493 NE2 GLN A 36 8.882 -18.374 -4.252 1.00 0.00 N ATOM 0 H GLN A 36 9.136 -13.175 -2.505 1.00 0.00 H new ATOM 0 HA GLN A 36 10.944 -15.491 -2.305 1.00 0.00 H new ATOM 0 HB2 GLN A 36 9.044 -14.543 -4.475 1.00 0.00 H new ATOM 0 HB3 GLN A 36 10.134 -15.903 -4.653 1.00 0.00 H new ATOM 0 HG2 GLN A 36 8.354 -15.851 -2.221 1.00 0.00 H new ATOM 0 HG3 GLN A 36 7.607 -16.208 -3.766 1.00 0.00 H new ATOM 0 HE21 GLN A 36 8.430 -17.944 -5.059 1.00 0.00 H new ATOM 0 HE22 GLN A 36 9.191 -19.345 -4.297 1.00 0.00 H new ATOM 502 N GLY A 37 11.382 -12.771 -4.095 1.00 0.00 N ATOM 503 CA GLY A 37 12.379 -11.976 -4.793 1.00 0.00 C ATOM 504 C GLY A 37 11.732 -10.783 -5.500 1.00 0.00 C ATOM 505 O GLY A 37 10.530 -10.556 -5.369 1.00 0.00 O ATOM 0 H GLY A 37 10.468 -12.328 -4.007 1.00 0.00 H new ATOM 0 HA2 GLY A 37 13.128 -11.621 -4.085 1.00 0.00 H new ATOM 0 HA3 GLY A 37 12.899 -12.597 -5.522 1.00 0.00 H new ATOM 509 N ILE A 38 12.558 -10.053 -6.236 1.00 0.00 N ATOM 510 CA ILE A 38 12.081 -8.890 -6.964 1.00 0.00 C ATOM 511 C ILE A 38 11.258 -9.350 -8.169 1.00 0.00 C ATOM 512 O ILE A 38 10.046 -9.142 -8.212 1.00 0.00 O ATOM 513 CB ILE A 38 13.250 -7.973 -7.332 1.00 0.00 C ATOM 514 CG1 ILE A 38 13.804 -7.266 -6.093 1.00 0.00 C ATOM 515 CG2 ILE A 38 12.845 -6.981 -8.425 1.00 0.00 C ATOM 516 CD1 ILE A 38 14.932 -6.304 -6.470 1.00 0.00 C ATOM 0 H ILE A 38 13.554 -10.245 -6.343 1.00 0.00 H new ATOM 0 HA ILE A 38 11.421 -8.292 -6.336 1.00 0.00 H new ATOM 0 HB ILE A 38 14.053 -8.589 -7.737 1.00 0.00 H new ATOM 0 HG12 ILE A 38 13.005 -6.717 -5.595 1.00 0.00 H new ATOM 0 HG13 ILE A 38 14.174 -8.005 -5.383 1.00 0.00 H new ATOM 0 HG21 ILE A 38 13.693 -6.341 -8.668 1.00 0.00 H new ATOM 0 HG22 ILE A 38 12.536 -7.528 -9.316 1.00 0.00 H new ATOM 0 HG23 ILE A 38 12.017 -6.367 -8.070 1.00 0.00 H new ATOM 0 HD11 ILE A 38 15.308 -5.815 -5.572 1.00 0.00 H new ATOM 0 HD12 ILE A 38 15.740 -6.859 -6.946 1.00 0.00 H new ATOM 0 HD13 ILE A 38 14.553 -5.552 -7.161 1.00 0.00 H new ATOM 528 N GLU A 39 11.948 -9.967 -9.116 1.00 0.00 N ATOM 529 CA GLU A 39 11.295 -10.458 -10.318 1.00 0.00 C ATOM 530 C GLU A 39 9.927 -11.051 -9.974 1.00 0.00 C ATOM 531 O GLU A 39 8.933 -10.750 -10.635 1.00 0.00 O ATOM 532 CB GLU A 39 12.172 -11.485 -11.037 1.00 0.00 C ATOM 533 CG GLU A 39 13.045 -10.813 -12.099 1.00 0.00 C ATOM 534 CD GLU A 39 14.470 -10.603 -11.585 1.00 0.00 C ATOM 535 OE1 GLU A 39 14.595 -10.089 -10.452 1.00 0.00 O ATOM 536 OE2 GLU A 39 15.403 -10.962 -12.335 1.00 0.00 O ATOM 0 H GLU A 39 12.953 -10.138 -9.076 1.00 0.00 H new ATOM 0 HA GLU A 39 11.145 -9.618 -10.996 1.00 0.00 H new ATOM 0 HB2 GLU A 39 12.805 -11.999 -10.313 1.00 0.00 H new ATOM 0 HB3 GLU A 39 11.543 -12.242 -11.504 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.066 -11.427 -12.999 1.00 0.00 H new ATOM 0 HG3 GLU A 39 12.610 -9.853 -12.378 1.00 0.00 H new ATOM 543 N ALA A 40 9.919 -11.881 -8.942 1.00 0.00 N ATOM 544 CA ALA A 40 8.689 -12.517 -8.503 1.00 0.00 C ATOM 545 C ALA A 40 7.662 -11.441 -8.145 1.00 0.00 C ATOM 546 O ALA A 40 6.537 -11.462 -8.640 1.00 0.00 O ATOM 547 CB ALA A 40 8.988 -13.451 -7.328 1.00 0.00 C ATOM 0 H ALA A 40 10.745 -12.128 -8.397 1.00 0.00 H new ATOM 0 HA ALA A 40 8.265 -13.124 -9.303 1.00 0.00 H new ATOM 0 HB1 ALA A 40 8.065 -13.928 -6.999 1.00 0.00 H new ATOM 0 HB2 ALA A 40 9.699 -14.215 -7.642 1.00 0.00 H new ATOM 0 HB3 ALA A 40 9.413 -12.876 -6.505 1.00 0.00 H new ATOM 553 N ALA A 41 8.087 -10.526 -7.286 1.00 0.00 N ATOM 554 CA ALA A 41 7.219 -9.443 -6.856 1.00 0.00 C ATOM 555 C ALA A 41 6.819 -8.603 -8.070 1.00 0.00 C ATOM 556 O ALA A 41 5.632 -8.423 -8.341 1.00 0.00 O ATOM 557 CB ALA A 41 7.928 -8.615 -5.782 1.00 0.00 C ATOM 0 H ALA A 41 9.021 -10.512 -6.876 1.00 0.00 H new ATOM 0 HA ALA A 41 6.305 -9.838 -6.412 1.00 0.00 H new ATOM 0 HB1 ALA A 41 7.277 -7.803 -5.460 1.00 0.00 H new ATOM 0 HB2 ALA A 41 8.164 -9.251 -4.929 1.00 0.00 H new ATOM 0 HB3 ALA A 41 8.849 -8.201 -6.191 1.00 0.00 H new ATOM 563 N MET A 42 7.831 -8.110 -8.769 1.00 0.00 N ATOM 564 CA MET A 42 7.600 -7.293 -9.948 1.00 0.00 C ATOM 565 C MET A 42 6.409 -7.818 -10.753 1.00 0.00 C ATOM 566 O MET A 42 5.519 -7.053 -11.121 1.00 0.00 O ATOM 567 CB MET A 42 8.853 -7.298 -10.826 1.00 0.00 C ATOM 568 CG MET A 42 9.674 -6.025 -10.616 1.00 0.00 C ATOM 569 SD MET A 42 9.590 -4.996 -12.073 1.00 0.00 S ATOM 570 CE MET A 42 10.230 -6.132 -13.291 1.00 0.00 C ATOM 0 H MET A 42 8.814 -8.261 -8.541 1.00 0.00 H new ATOM 0 HA MET A 42 7.376 -6.276 -9.625 1.00 0.00 H new ATOM 0 HB2 MET A 42 9.462 -8.171 -10.591 1.00 0.00 H new ATOM 0 HB3 MET A 42 8.567 -7.382 -11.874 1.00 0.00 H new ATOM 0 HG2 MET A 42 9.297 -5.478 -9.752 1.00 0.00 H new ATOM 0 HG3 MET A 42 10.711 -6.283 -10.402 1.00 0.00 H new ATOM 0 HE1 MET A 42 10.885 -5.597 -13.978 1.00 0.00 H new ATOM 0 HE2 MET A 42 10.793 -6.921 -12.792 1.00 0.00 H new ATOM 0 HE3 MET A 42 9.403 -6.573 -13.847 1.00 0.00 H new ATOM 580 N ASP A 43 6.432 -9.119 -11.004 1.00 0.00 N ATOM 581 CA ASP A 43 5.366 -9.754 -11.759 1.00 0.00 C ATOM 582 C ASP A 43 4.039 -9.560 -11.022 1.00 0.00 C ATOM 583 O ASP A 43 3.034 -9.197 -11.630 1.00 0.00 O ATOM 584 CB ASP A 43 5.612 -11.257 -11.902 1.00 0.00 C ATOM 585 CG ASP A 43 5.558 -11.788 -13.336 1.00 0.00 C ATOM 586 OD1 ASP A 43 6.234 -11.178 -14.193 1.00 0.00 O ATOM 587 OD2 ASP A 43 4.843 -12.792 -13.543 1.00 0.00 O ATOM 0 H ASP A 43 7.172 -9.750 -10.698 1.00 0.00 H new ATOM 0 HA ASP A 43 5.336 -9.298 -12.748 1.00 0.00 H new ATOM 0 HB2 ASP A 43 6.589 -11.492 -11.480 1.00 0.00 H new ATOM 0 HB3 ASP A 43 4.871 -11.789 -11.305 1.00 0.00 H new ATOM 592 N TRP A 44 4.080 -9.812 -9.722 1.00 0.00 N ATOM 593 CA TRP A 44 2.893 -9.670 -8.895 1.00 0.00 C ATOM 594 C TRP A 44 2.407 -8.223 -9.010 1.00 0.00 C ATOM 595 O TRP A 44 1.206 -7.963 -8.968 1.00 0.00 O ATOM 596 CB TRP A 44 3.176 -10.093 -7.452 1.00 0.00 C ATOM 597 CG TRP A 44 2.004 -9.866 -6.496 1.00 0.00 C ATOM 598 CD1 TRP A 44 1.208 -10.786 -5.933 1.00 0.00 C ATOM 599 CD2 TRP A 44 1.524 -8.595 -6.009 1.00 0.00 C ATOM 600 NE1 TRP A 44 0.255 -10.204 -5.123 1.00 0.00 N ATOM 601 CE2 TRP A 44 0.453 -8.829 -5.171 1.00 0.00 C ATOM 602 CE3 TRP A 44 1.981 -7.291 -6.269 1.00 0.00 C ATOM 603 CZ2 TRP A 44 -0.251 -7.806 -4.524 1.00 0.00 C ATOM 604 CZ3 TRP A 44 1.266 -6.280 -5.615 1.00 0.00 C ATOM 605 CH2 TRP A 44 0.185 -6.499 -4.768 1.00 0.00 C ATOM 0 H TRP A 44 4.916 -10.113 -9.221 1.00 0.00 H new ATOM 0 HA TRP A 44 2.100 -10.332 -9.242 1.00 0.00 H new ATOM 0 HB2 TRP A 44 3.442 -11.150 -7.440 1.00 0.00 H new ATOM 0 HB3 TRP A 44 4.042 -9.542 -7.086 1.00 0.00 H new ATOM 0 HD1 TRP A 44 1.301 -11.850 -6.094 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.463 -10.693 -4.588 1.00 0.00 H new ATOM 0 HE3 TRP A 44 2.817 -7.085 -6.921 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -1.086 -8.015 -3.871 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 1.576 -5.259 -5.780 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.316 -5.664 -4.301 1.00 0.00 H new ATOM 616 N LEU A 45 3.366 -7.320 -9.152 1.00 0.00 N ATOM 617 CA LEU A 45 3.051 -5.907 -9.273 1.00 0.00 C ATOM 618 C LEU A 45 2.412 -5.647 -10.638 1.00 0.00 C ATOM 619 O LEU A 45 1.397 -4.957 -10.731 1.00 0.00 O ATOM 620 CB LEU A 45 4.294 -5.056 -9.003 1.00 0.00 C ATOM 621 CG LEU A 45 4.702 -4.910 -7.536 1.00 0.00 C ATOM 622 CD1 LEU A 45 6.197 -4.608 -7.410 1.00 0.00 C ATOM 623 CD2 LEU A 45 3.843 -3.859 -6.830 1.00 0.00 C ATOM 0 H LEU A 45 4.362 -7.540 -9.186 1.00 0.00 H new ATOM 0 HA LEU A 45 2.322 -5.613 -8.518 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.131 -5.488 -9.551 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.124 -4.060 -9.413 1.00 0.00 H new ATOM 0 HG LEU A 45 4.523 -5.861 -7.035 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.461 -4.509 -6.357 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.771 -5.422 -7.853 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.425 -3.678 -7.930 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.154 -3.775 -5.789 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.967 -2.896 -7.325 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.795 -4.157 -6.873 1.00 0.00 H new ATOM 635 N MET A 46 3.031 -6.212 -11.664 1.00 0.00 N ATOM 636 CA MET A 46 2.535 -6.050 -13.020 1.00 0.00 C ATOM 637 C MET A 46 1.149 -6.679 -13.175 1.00 0.00 C ATOM 638 O MET A 46 0.358 -6.247 -14.013 1.00 0.00 O ATOM 639 CB MET A 46 3.507 -6.707 -14.001 1.00 0.00 C ATOM 640 CG MET A 46 4.754 -5.843 -14.199 1.00 0.00 C ATOM 641 SD MET A 46 4.343 -4.382 -15.139 1.00 0.00 S ATOM 642 CE MET A 46 5.219 -3.148 -14.193 1.00 0.00 C ATOM 0 H MET A 46 3.872 -6.783 -11.583 1.00 0.00 H new ATOM 0 HA MET A 46 2.455 -4.984 -13.233 1.00 0.00 H new ATOM 0 HB2 MET A 46 3.796 -7.690 -13.628 1.00 0.00 H new ATOM 0 HB3 MET A 46 3.012 -6.863 -14.960 1.00 0.00 H new ATOM 0 HG2 MET A 46 5.166 -5.558 -13.231 1.00 0.00 H new ATOM 0 HG3 MET A 46 5.524 -6.414 -14.718 1.00 0.00 H new ATOM 0 HE1 MET A 46 5.068 -2.168 -14.646 1.00 0.00 H new ATOM 0 HE2 MET A 46 4.841 -3.137 -13.171 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.283 -3.384 -14.184 1.00 0.00 H new