USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 434 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 30 ASN : amide:sc= -3.56! C(o=-6!,f=-6.2!) USER MOD Set 1.2: A 41 MET CE :methyl -110:sc= -2.43 (180deg=-5.55!) USER MOD Single : A 12 MET CE :methyl 172:sc= -1.29 (180deg=-1.36) USER MOD Single : A 13 ASN : amide:sc= -1.39! C(o=-1.4!,f=-5!) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.0432 K(o=-0.043,f=-0.96) USER MOD Single : A 29 GLN : amide:sc=-0.000548 X(o=-0.00055,f=-0.24) USER MOD Single : A 34 HIS :FLIP no HE2:sc= -4.58! C(o=-5.8!,f=-4.6!) USER MOD Single : A 35 ASN : amide:sc= -0.118 X(o=-0.12,f=-0.46) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -130:sc= -1.68 (180deg=-4.26!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -154:sc= 0.15 (180deg=-0.536) USER MOD ----------------------------------------------------------------- ATOM 147 N MET A 12 -2.031 5.227 -5.742 1.00 0.00 N ATOM 148 CA MET A 12 -2.760 4.361 -4.823 1.00 0.00 C ATOM 149 C MET A 12 -3.315 5.161 -3.648 1.00 0.00 C ATOM 150 O MET A 12 -2.779 6.208 -3.290 1.00 0.00 O ATOM 151 CB MET A 12 -1.849 3.244 -4.309 1.00 0.00 C ATOM 152 CG MET A 12 -0.772 2.834 -5.301 1.00 0.00 C ATOM 153 SD MET A 12 -0.092 1.201 -4.952 1.00 0.00 S ATOM 154 CE MET A 12 0.554 1.448 -3.300 1.00 0.00 C ATOM 0 HA MET A 12 -3.595 3.918 -5.366 1.00 0.00 H new ATOM 0 HB2 MET A 12 -1.374 3.570 -3.384 1.00 0.00 H new ATOM 0 HB3 MET A 12 -2.458 2.373 -4.065 1.00 0.00 H new ATOM 0 HG2 MET A 12 -1.189 2.842 -6.308 1.00 0.00 H new ATOM 0 HG3 MET A 12 0.032 3.570 -5.283 1.00 0.00 H new ATOM 0 HE1 MET A 12 0.880 0.492 -2.890 1.00 0.00 H new ATOM 0 HE2 MET A 12 1.401 2.133 -3.339 1.00 0.00 H new ATOM 0 HE3 MET A 12 -0.225 1.869 -2.664 1.00 0.00 H new ATOM 164 N ASN A 13 -4.393 4.659 -3.053 1.00 0.00 N ATOM 165 CA ASN A 13 -5.021 5.327 -1.920 1.00 0.00 C ATOM 166 C ASN A 13 -4.527 4.742 -0.601 1.00 0.00 C ATOM 167 O ASN A 13 -3.625 3.904 -0.581 1.00 0.00 O ATOM 168 CB ASN A 13 -6.543 5.203 -2.007 1.00 0.00 C ATOM 169 CG ASN A 13 -7.031 5.071 -3.437 1.00 0.00 C ATOM 170 OD1 ASN A 13 -6.316 5.404 -4.382 1.00 0.00 O ATOM 171 ND2 ASN A 13 -8.255 4.583 -3.602 1.00 0.00 N ATOM 0 H ASN A 13 -4.849 3.792 -3.337 1.00 0.00 H new ATOM 0 HA ASN A 13 -4.747 6.381 -1.955 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -6.868 4.335 -1.434 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -7.003 6.078 -1.548 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -8.637 4.471 -4.541 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -8.813 4.320 -2.790 1.00 0.00 H new ATOM 178 N ALA A 14 -5.124 5.188 0.500 1.00 0.00 N ATOM 179 CA ALA A 14 -4.747 4.706 1.823 1.00 0.00 C ATOM 180 C ALA A 14 -4.867 3.189 1.909 1.00 0.00 C ATOM 181 O ALA A 14 -3.958 2.511 2.389 1.00 0.00 O ATOM 182 CB ALA A 14 -5.607 5.368 2.890 1.00 0.00 C ATOM 0 H ALA A 14 -5.871 5.883 0.501 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.704 4.971 1.996 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.315 4.999 3.873 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.467 6.448 2.852 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.656 5.131 2.710 1.00 0.00 H new ATOM 188 N PHE A 15 -5.994 2.661 1.443 1.00 0.00 N ATOM 189 CA PHE A 15 -6.233 1.223 1.469 1.00 0.00 C ATOM 190 C PHE A 15 -5.247 0.491 0.564 1.00 0.00 C ATOM 191 O PHE A 15 -4.609 -0.477 0.977 1.00 0.00 O ATOM 192 CB PHE A 15 -7.668 0.915 1.034 1.00 0.00 C ATOM 193 CG PHE A 15 -7.886 -0.524 0.663 1.00 0.00 C ATOM 194 CD1 PHE A 15 -7.606 -0.972 -0.618 1.00 0.00 C ATOM 195 CD2 PHE A 15 -8.370 -1.428 1.594 1.00 0.00 C ATOM 196 CE1 PHE A 15 -7.806 -2.295 -0.963 1.00 0.00 C ATOM 197 CE2 PHE A 15 -8.572 -2.753 1.255 1.00 0.00 C ATOM 198 CZ PHE A 15 -8.289 -3.187 -0.024 1.00 0.00 C ATOM 0 H PHE A 15 -6.756 3.208 1.043 1.00 0.00 H new ATOM 0 HA PHE A 15 -6.088 0.874 2.491 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -8.349 1.181 1.842 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -7.924 1.544 0.182 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -7.227 -0.279 -1.355 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -8.592 -1.094 2.597 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -7.585 -2.632 -1.965 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -8.951 -3.448 1.990 1.00 0.00 H new ATOM 0 HZ PHE A 15 -8.445 -4.222 -0.291 1.00 0.00 H new ATOM 208 N MET A 16 -5.128 0.960 -0.674 1.00 0.00 N ATOM 209 CA MET A 16 -4.220 0.351 -1.638 1.00 0.00 C ATOM 210 C MET A 16 -2.806 0.262 -1.072 1.00 0.00 C ATOM 211 O MET A 16 -2.170 -0.791 -1.127 1.00 0.00 O ATOM 212 CB MET A 16 -4.210 1.154 -2.940 1.00 0.00 C ATOM 213 CG MET A 16 -5.549 1.162 -3.659 1.00 0.00 C ATOM 214 SD MET A 16 -5.500 2.079 -5.211 1.00 0.00 S ATOM 215 CE MET A 16 -4.764 0.862 -6.300 1.00 0.00 C ATOM 0 H MET A 16 -5.649 1.760 -1.033 1.00 0.00 H new ATOM 0 HA MET A 16 -4.574 -0.659 -1.845 1.00 0.00 H new ATOM 0 HB2 MET A 16 -3.918 2.181 -2.722 1.00 0.00 H new ATOM 0 HB3 MET A 16 -3.452 0.742 -3.606 1.00 0.00 H new ATOM 0 HG2 MET A 16 -5.856 0.135 -3.858 1.00 0.00 H new ATOM 0 HG3 MET A 16 -6.304 1.600 -3.007 1.00 0.00 H new ATOM 0 HE1 MET A 16 -4.667 1.281 -7.302 1.00 0.00 H new ATOM 0 HE2 MET A 16 -3.778 0.587 -5.925 1.00 0.00 H new ATOM 0 HE3 MET A 16 -5.398 -0.024 -6.337 1.00 0.00 H new ATOM 225 N VAL A 17 -2.320 1.373 -0.527 1.00 0.00 N ATOM 226 CA VAL A 17 -0.982 1.419 0.050 1.00 0.00 C ATOM 227 C VAL A 17 -0.832 0.398 1.172 1.00 0.00 C ATOM 228 O VAL A 17 -0.057 -0.553 1.060 1.00 0.00 O ATOM 229 CB VAL A 17 -0.656 2.821 0.599 1.00 0.00 C ATOM 230 CG1 VAL A 17 0.760 2.862 1.153 1.00 0.00 C ATOM 231 CG2 VAL A 17 -0.845 3.874 -0.483 1.00 0.00 C ATOM 0 H VAL A 17 -2.833 2.253 -0.473 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.283 1.179 -0.751 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.345 3.042 1.414 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.972 3.860 1.536 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.856 2.136 1.960 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.468 2.620 0.360 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.610 4.858 -0.078 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.181 3.659 -1.320 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.879 3.860 -0.827 1.00 0.00 H new ATOM 241 N TRP A 18 -1.577 0.601 2.252 1.00 0.00 N ATOM 242 CA TRP A 18 -1.526 -0.303 3.395 1.00 0.00 C ATOM 243 C TRP A 18 -1.641 -1.756 2.946 1.00 0.00 C ATOM 244 O TRP A 18 -1.099 -2.657 3.586 1.00 0.00 O ATOM 245 CB TRP A 18 -2.646 0.028 4.383 1.00 0.00 C ATOM 246 CG TRP A 18 -2.994 -1.113 5.291 1.00 0.00 C ATOM 247 CD1 TRP A 18 -2.483 -1.357 6.533 1.00 0.00 C ATOM 248 CD2 TRP A 18 -3.929 -2.165 5.026 1.00 0.00 C ATOM 249 NE1 TRP A 18 -3.043 -2.497 7.057 1.00 0.00 N ATOM 250 CE2 TRP A 18 -3.934 -3.011 6.152 1.00 0.00 C ATOM 251 CE3 TRP A 18 -4.763 -2.473 3.948 1.00 0.00 C ATOM 252 CZ2 TRP A 18 -4.740 -4.144 6.228 1.00 0.00 C ATOM 253 CZ3 TRP A 18 -5.562 -3.598 4.025 1.00 0.00 C ATOM 254 CH2 TRP A 18 -5.547 -4.422 5.158 1.00 0.00 C ATOM 0 H TRP A 18 -2.223 1.383 2.360 1.00 0.00 H new ATOM 0 HA TRP A 18 -0.563 -0.170 3.889 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -2.347 0.885 4.987 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -3.535 0.325 3.827 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -1.746 -0.744 7.031 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -2.830 -2.896 7.971 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -4.783 -1.843 3.071 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -4.729 -4.781 7.100 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -6.209 -3.846 3.197 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -6.184 -5.293 5.188 1.00 0.00 H new ATOM 265 N ALA A 19 -2.349 -1.976 1.843 1.00 0.00 N ATOM 266 CA ALA A 19 -2.531 -3.319 1.308 1.00 0.00 C ATOM 267 C ALA A 19 -1.233 -3.856 0.716 1.00 0.00 C ATOM 268 O ALA A 19 -0.901 -5.029 0.882 1.00 0.00 O ATOM 269 CB ALA A 19 -3.634 -3.324 0.259 1.00 0.00 C ATOM 0 H ALA A 19 -2.806 -1.241 1.303 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.822 -3.974 2.129 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.759 -4.334 -0.132 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.568 -2.992 0.712 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.365 -2.650 -0.555 1.00 0.00 H new ATOM 275 N LYS A 20 -0.501 -2.989 0.024 1.00 0.00 N ATOM 276 CA LYS A 20 0.762 -3.375 -0.593 1.00 0.00 C ATOM 277 C LYS A 20 1.552 -4.307 0.320 1.00 0.00 C ATOM 278 O LYS A 20 2.269 -5.191 -0.150 1.00 0.00 O ATOM 279 CB LYS A 20 1.597 -2.133 -0.916 1.00 0.00 C ATOM 280 CG LYS A 20 2.409 -1.623 0.263 1.00 0.00 C ATOM 281 CD LYS A 20 2.623 -0.121 0.184 1.00 0.00 C ATOM 282 CE LYS A 20 3.735 0.233 -0.792 1.00 0.00 C ATOM 283 NZ LYS A 20 5.083 0.017 -0.198 1.00 0.00 N ATOM 0 H LYS A 20 -0.761 -2.014 -0.123 1.00 0.00 H new ATOM 0 HA LYS A 20 0.537 -3.906 -1.518 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.273 -2.364 -1.739 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.934 -1.339 -1.261 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.897 -1.870 1.193 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.374 -2.128 0.287 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.697 0.364 -0.126 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.869 0.265 1.173 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.634 -0.372 -1.693 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.634 1.275 -1.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.814 0.269 -0.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.189 0.613 0.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.189 -0.983 0.068 1.00 0.00 H new ATOM 297 N ASP A 21 1.414 -4.105 1.626 1.00 0.00 N ATOM 298 CA ASP A 21 2.112 -4.930 2.605 1.00 0.00 C ATOM 299 C ASP A 21 1.244 -6.106 3.043 1.00 0.00 C ATOM 300 O ASP A 21 1.627 -7.264 2.884 1.00 0.00 O ATOM 301 CB ASP A 21 2.507 -4.091 3.821 1.00 0.00 C ATOM 302 CG ASP A 21 3.467 -4.820 4.740 1.00 0.00 C ATOM 303 OD1 ASP A 21 3.296 -6.043 4.928 1.00 0.00 O ATOM 304 OD2 ASP A 21 4.390 -4.168 5.272 1.00 0.00 O ATOM 0 H ASP A 21 0.825 -3.377 2.031 1.00 0.00 H new ATOM 0 HA ASP A 21 3.014 -5.323 2.136 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.966 -3.162 3.484 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.610 -3.820 4.378 1.00 0.00 H new ATOM 309 N GLU A 22 0.075 -5.798 3.595 1.00 0.00 N ATOM 310 CA GLU A 22 -0.845 -6.830 4.058 1.00 0.00 C ATOM 311 C GLU A 22 -0.985 -7.940 3.019 1.00 0.00 C ATOM 312 O GLU A 22 -0.724 -9.108 3.305 1.00 0.00 O ATOM 313 CB GLU A 22 -2.217 -6.224 4.360 1.00 0.00 C ATOM 314 CG GLU A 22 -2.934 -6.889 5.522 1.00 0.00 C ATOM 315 CD GLU A 22 -3.853 -8.010 5.076 1.00 0.00 C ATOM 316 OE1 GLU A 22 -3.492 -8.727 4.120 1.00 0.00 O ATOM 317 OE2 GLU A 22 -4.932 -8.170 5.683 1.00 0.00 O ATOM 0 H GLU A 22 -0.257 -4.843 3.732 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.437 -7.260 4.972 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.096 -5.163 4.578 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.841 -6.297 3.469 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.197 -7.285 6.220 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.515 -6.141 6.062 1.00 0.00 H new ATOM 324 N ARG A 23 -1.400 -7.564 1.813 1.00 0.00 N ATOM 325 CA ARG A 23 -1.576 -8.526 0.732 1.00 0.00 C ATOM 326 C ARG A 23 -0.466 -9.574 0.750 1.00 0.00 C ATOM 327 O ARG A 23 -0.731 -10.776 0.728 1.00 0.00 O ATOM 328 CB ARG A 23 -1.595 -7.810 -0.619 1.00 0.00 C ATOM 329 CG ARG A 23 -1.899 -8.728 -1.791 1.00 0.00 C ATOM 330 CD ARG A 23 -1.269 -8.217 -3.078 1.00 0.00 C ATOM 331 NE ARG A 23 0.092 -8.714 -3.256 1.00 0.00 N ATOM 332 CZ ARG A 23 0.974 -8.161 -4.082 1.00 0.00 C ATOM 333 NH1 ARG A 23 0.639 -7.098 -4.800 1.00 0.00 N ATOM 334 NH2 ARG A 23 2.194 -8.672 -4.190 1.00 0.00 N ATOM 0 H ARG A 23 -1.620 -6.601 1.561 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.531 -9.031 0.881 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.340 -7.015 -0.589 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.628 -7.335 -0.782 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.527 -9.730 -1.576 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -2.978 -8.809 -1.920 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -1.880 -8.523 -3.927 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.259 -7.127 -3.069 1.00 0.00 H new ATOM 0 HE ARG A 23 0.382 -9.530 -2.717 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.298 -6.703 -4.719 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.318 -6.676 -5.433 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.455 -9.490 -3.639 1.00 0.00 H new ATOM 0 HH22 ARG A 23 2.871 -8.247 -4.824 1.00 0.00 H new ATOM 348 N LYS A 24 0.778 -9.109 0.789 1.00 0.00 N ATOM 349 CA LYS A 24 1.929 -10.003 0.810 1.00 0.00 C ATOM 350 C LYS A 24 1.681 -11.187 1.739 1.00 0.00 C ATOM 351 O LYS A 24 2.005 -12.328 1.406 1.00 0.00 O ATOM 352 CB LYS A 24 3.182 -9.245 1.256 1.00 0.00 C ATOM 353 CG LYS A 24 3.480 -8.016 0.415 1.00 0.00 C ATOM 354 CD LYS A 24 4.967 -7.704 0.392 1.00 0.00 C ATOM 355 CE LYS A 24 5.683 -8.484 -0.700 1.00 0.00 C ATOM 356 NZ LYS A 24 7.163 -8.347 -0.601 1.00 0.00 N ATOM 0 H LYS A 24 1.015 -8.117 0.807 1.00 0.00 H new ATOM 0 HA LYS A 24 2.082 -10.382 -0.201 1.00 0.00 H new ATOM 0 HB2 LYS A 24 3.063 -8.943 2.296 1.00 0.00 H new ATOM 0 HB3 LYS A 24 4.038 -9.919 1.216 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.125 -8.176 -0.603 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.934 -7.161 0.813 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.113 -6.636 0.233 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.406 -7.945 1.360 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.411 -9.537 -0.632 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.350 -8.131 -1.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.614 -8.893 -1.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 7.426 -7.345 -0.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 7.484 -8.707 0.320 1.00 0.00 H new ATOM 370 N ARG A 25 1.104 -10.909 2.903 1.00 0.00 N ATOM 371 CA ARG A 25 0.813 -11.952 3.880 1.00 0.00 C ATOM 372 C ARG A 25 -0.307 -12.863 3.385 1.00 0.00 C ATOM 373 O ARG A 25 -0.331 -14.056 3.688 1.00 0.00 O ATOM 374 CB ARG A 25 0.422 -11.329 5.222 1.00 0.00 C ATOM 375 CG ARG A 25 -1.070 -11.079 5.366 1.00 0.00 C ATOM 376 CD ARG A 25 -1.350 -9.888 6.268 1.00 0.00 C ATOM 377 NE ARG A 25 -1.267 -10.241 7.683 1.00 0.00 N ATOM 378 CZ ARG A 25 -2.195 -10.947 8.320 1.00 0.00 C ATOM 379 NH1 ARG A 25 -3.270 -11.373 7.671 1.00 0.00 N ATOM 380 NH2 ARG A 25 -2.048 -11.228 9.608 1.00 0.00 N ATOM 0 H ARG A 25 0.829 -9.971 3.193 1.00 0.00 H new ATOM 0 HA ARG A 25 1.714 -12.551 4.014 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.751 -11.986 6.027 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.953 -10.385 5.343 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.507 -10.903 4.383 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.551 -11.968 5.775 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.637 -9.093 6.050 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.343 -9.494 6.050 1.00 0.00 H new ATOM 0 HE ARG A 25 -0.452 -9.928 8.211 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.386 -11.159 6.680 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -3.981 -11.915 8.162 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -1.222 -10.902 10.110 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -2.761 -11.770 10.096 1.00 0.00 H new ATOM 394 N LEU A 26 -1.233 -12.292 2.622 1.00 0.00 N ATOM 395 CA LEU A 26 -2.357 -13.052 2.085 1.00 0.00 C ATOM 396 C LEU A 26 -1.887 -14.040 1.022 1.00 0.00 C ATOM 397 O LEU A 26 -2.308 -15.196 1.005 1.00 0.00 O ATOM 398 CB LEU A 26 -3.401 -12.105 1.492 1.00 0.00 C ATOM 399 CG LEU A 26 -3.903 -10.995 2.416 1.00 0.00 C ATOM 400 CD1 LEU A 26 -5.067 -10.254 1.778 1.00 0.00 C ATOM 401 CD2 LEU A 26 -4.309 -11.568 3.766 1.00 0.00 C ATOM 0 H LEU A 26 -1.228 -11.306 2.361 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.808 -13.614 2.903 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.978 -11.644 0.599 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.258 -12.697 1.170 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.091 -10.286 2.574 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.410 -9.468 2.451 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.744 -9.810 0.836 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.883 -10.952 1.589 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.664 -10.764 4.411 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.105 -12.299 3.626 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.449 -12.052 4.229 1.00 0.00 H new ATOM 413 N ALA A 27 -1.011 -13.576 0.136 1.00 0.00 N ATOM 414 CA ALA A 27 -0.481 -14.420 -0.928 1.00 0.00 C ATOM 415 C ALA A 27 0.193 -15.663 -0.358 1.00 0.00 C ATOM 416 O ALA A 27 -0.089 -16.783 -0.784 1.00 0.00 O ATOM 417 CB ALA A 27 0.497 -13.633 -1.787 1.00 0.00 C ATOM 0 H ALA A 27 -0.654 -12.621 0.134 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.315 -14.745 -1.551 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.885 -14.275 -2.578 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.014 -12.779 -2.231 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.322 -13.280 -1.168 1.00 0.00 H new ATOM 423 N GLN A 28 1.085 -15.457 0.606 1.00 0.00 N ATOM 424 CA GLN A 28 1.801 -16.563 1.232 1.00 0.00 C ATOM 425 C GLN A 28 0.840 -17.473 1.990 1.00 0.00 C ATOM 426 O GLN A 28 1.033 -18.687 2.043 1.00 0.00 O ATOM 427 CB GLN A 28 2.875 -16.030 2.182 1.00 0.00 C ATOM 428 CG GLN A 28 2.323 -15.147 3.290 1.00 0.00 C ATOM 429 CD GLN A 28 3.179 -15.176 4.540 1.00 0.00 C ATOM 430 OE1 GLN A 28 4.327 -15.621 4.511 1.00 0.00 O ATOM 431 NE2 GLN A 28 2.624 -14.701 5.649 1.00 0.00 N ATOM 0 H GLN A 28 1.329 -14.536 0.970 1.00 0.00 H new ATOM 0 HA GLN A 28 2.280 -17.146 0.445 1.00 0.00 H new ATOM 0 HB2 GLN A 28 3.403 -16.872 2.629 1.00 0.00 H new ATOM 0 HB3 GLN A 28 3.607 -15.463 1.608 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.249 -14.121 2.929 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.313 -15.471 3.539 1.00 0.00 H new ATOM 0 HE21 GLN A 28 1.670 -14.342 5.628 1.00 0.00 H new ATOM 0 HE22 GLN A 28 3.152 -14.695 6.522 1.00 0.00 H new ATOM 440 N GLN A 29 -0.193 -16.877 2.577 1.00 0.00 N ATOM 441 CA GLN A 29 -1.183 -17.635 3.333 1.00 0.00 C ATOM 442 C GLN A 29 -2.088 -18.432 2.400 1.00 0.00 C ATOM 443 O GLN A 29 -2.511 -19.540 2.726 1.00 0.00 O ATOM 444 CB GLN A 29 -2.024 -16.695 4.198 1.00 0.00 C ATOM 445 CG GLN A 29 -1.453 -16.474 5.590 1.00 0.00 C ATOM 446 CD GLN A 29 -2.261 -15.482 6.402 1.00 0.00 C ATOM 447 OE1 GLN A 29 -1.822 -14.358 6.646 1.00 0.00 O ATOM 448 NE2 GLN A 29 -3.451 -15.893 6.826 1.00 0.00 N ATOM 0 H GLN A 29 -0.366 -15.872 2.544 1.00 0.00 H new ATOM 0 HA GLN A 29 -0.652 -18.334 3.979 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.112 -15.733 3.694 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -3.031 -17.102 4.288 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.417 -17.426 6.119 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.427 -16.117 5.505 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.776 -16.833 6.601 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -4.040 -15.268 7.377 1.00 0.00 H new ATOM 457 N ASN A 30 -2.382 -17.859 1.237 1.00 0.00 N ATOM 458 CA ASN A 30 -3.238 -18.517 0.256 1.00 0.00 C ATOM 459 C ASN A 30 -2.575 -18.538 -1.117 1.00 0.00 C ATOM 460 O ASN A 30 -2.828 -17.687 -1.970 1.00 0.00 O ATOM 461 CB ASN A 30 -4.590 -17.806 0.171 1.00 0.00 C ATOM 462 CG ASN A 30 -5.320 -17.790 1.500 1.00 0.00 C ATOM 463 OD1 ASN A 30 -5.706 -18.837 2.021 1.00 0.00 O ATOM 464 ND2 ASN A 30 -5.514 -16.599 2.054 1.00 0.00 N ATOM 0 H ASN A 30 -2.040 -16.941 0.951 1.00 0.00 H new ATOM 0 HA ASN A 30 -3.395 -19.546 0.579 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -4.438 -16.782 -0.169 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -5.211 -18.301 -0.576 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -6.000 -16.525 2.948 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -5.177 -15.758 1.586 1.00 0.00 H new ATOM 471 N PRO A 31 -1.705 -19.535 -1.339 1.00 0.00 N ATOM 472 CA PRO A 31 -0.988 -19.693 -2.607 1.00 0.00 C ATOM 473 C PRO A 31 -1.910 -20.114 -3.746 1.00 0.00 C ATOM 474 O PRO A 31 -1.496 -20.174 -4.904 1.00 0.00 O ATOM 475 CB PRO A 31 0.028 -20.797 -2.306 1.00 0.00 C ATOM 476 CG PRO A 31 -0.579 -21.576 -1.190 1.00 0.00 C ATOM 477 CD PRO A 31 -1.355 -20.585 -0.367 1.00 0.00 C ATOM 0 HA PRO A 31 -0.536 -18.758 -2.938 1.00 0.00 H new ATOM 0 HB2 PRO A 31 0.200 -21.426 -3.180 1.00 0.00 H new ATOM 0 HB3 PRO A 31 0.993 -20.379 -2.018 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -1.231 -22.362 -1.572 1.00 0.00 H new ATOM 0 HG3 PRO A 31 0.190 -22.063 -0.591 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.244 -21.037 0.074 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -0.758 -20.189 0.454 1.00 0.00 H new ATOM 485 N ASP A 32 -3.162 -20.404 -3.410 1.00 0.00 N ATOM 486 CA ASP A 32 -4.144 -20.819 -4.406 1.00 0.00 C ATOM 487 C ASP A 32 -5.158 -19.708 -4.664 1.00 0.00 C ATOM 488 O ASP A 32 -5.872 -19.726 -5.668 1.00 0.00 O ATOM 489 CB ASP A 32 -4.865 -22.087 -3.945 1.00 0.00 C ATOM 490 CG ASP A 32 -4.168 -23.350 -4.411 1.00 0.00 C ATOM 491 OD1 ASP A 32 -3.677 -23.368 -5.559 1.00 0.00 O ATOM 492 OD2 ASP A 32 -4.114 -24.320 -3.628 1.00 0.00 O ATOM 0 H ASP A 32 -3.521 -20.360 -2.456 1.00 0.00 H new ATOM 0 HA ASP A 32 -3.616 -21.029 -5.336 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -4.928 -22.091 -2.857 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.887 -22.079 -4.324 1.00 0.00 H new ATOM 497 N LEU A 33 -5.216 -18.744 -3.752 1.00 0.00 N ATOM 498 CA LEU A 33 -6.144 -17.625 -3.880 1.00 0.00 C ATOM 499 C LEU A 33 -5.529 -16.500 -4.706 1.00 0.00 C ATOM 500 O LEU A 33 -4.306 -16.384 -4.804 1.00 0.00 O ATOM 501 CB LEU A 33 -6.537 -17.102 -2.498 1.00 0.00 C ATOM 502 CG LEU A 33 -7.442 -18.012 -1.668 1.00 0.00 C ATOM 503 CD1 LEU A 33 -7.842 -17.328 -0.370 1.00 0.00 C ATOM 504 CD2 LEU A 33 -8.675 -18.409 -2.466 1.00 0.00 C ATOM 0 H LEU A 33 -4.632 -18.714 -2.916 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.037 -17.982 -4.394 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.626 -16.914 -1.930 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.038 -16.142 -2.624 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.887 -18.917 -1.421 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.486 -17.991 0.207 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.948 -17.095 0.209 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.379 -16.406 -0.595 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.308 -19.057 -1.859 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.232 -17.514 -2.744 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.370 -18.941 -3.367 1.00 0.00 H new ATOM 516 N HIS A 34 -6.383 -15.671 -5.298 1.00 0.00 N ATOM 517 CA HIS A 34 -5.924 -14.553 -6.114 1.00 0.00 C ATOM 518 C HIS A 34 -6.385 -13.224 -5.523 1.00 0.00 C ATOM 519 O HIS A 34 -7.188 -13.194 -4.592 1.00 0.00 O ATOM 520 CB HIS A 34 -6.438 -14.694 -7.547 1.00 0.00 C ATOM 521 CG HIS A 34 -7.922 -14.881 -7.635 1.00 0.00 C ATOM 522 ND1 HIS A 34 -8.686 -15.987 -7.473 1.00 0.00 N flip ATOM 523 CD2 HIS A 34 -8.794 -13.853 -7.922 1.00 0.00 C flip ATOM 524 CE1 HIS A 34 -9.992 -15.610 -7.662 1.00 0.00 C flip ATOM 525 NE2 HIS A 34 -10.031 -14.317 -7.931 1.00 0.00 N flip ATOM 0 H HIS A 34 -7.397 -15.753 -5.228 1.00 0.00 H new ATOM 0 HA HIS A 34 -4.834 -14.567 -6.125 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -6.158 -13.806 -8.114 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -5.944 -15.543 -8.020 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -8.353 -16.925 -7.252 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -8.510 -12.828 -8.110 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -10.849 -16.264 -7.601 1.00 0.00 H new ATOM 534 N ASN A 35 -5.871 -12.128 -6.072 1.00 0.00 N ATOM 535 CA ASN A 35 -6.230 -10.796 -5.598 1.00 0.00 C ATOM 536 C ASN A 35 -7.689 -10.751 -5.155 1.00 0.00 C ATOM 537 O ASN A 35 -7.984 -10.610 -3.969 1.00 0.00 O ATOM 538 CB ASN A 35 -5.987 -9.759 -6.697 1.00 0.00 C ATOM 539 CG ASN A 35 -4.548 -9.750 -7.175 1.00 0.00 C ATOM 540 OD1 ASN A 35 -3.618 -9.892 -6.382 1.00 0.00 O ATOM 541 ND2 ASN A 35 -4.359 -9.582 -8.479 1.00 0.00 N ATOM 0 H ASN A 35 -5.205 -12.136 -6.845 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.601 -10.561 -4.739 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -6.646 -9.966 -7.540 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.249 -8.769 -6.323 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -3.413 -9.567 -8.859 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.160 -9.468 -9.100 1.00 0.00 H new ATOM 548 N ALA A 36 -8.598 -10.873 -6.117 1.00 0.00 N ATOM 549 CA ALA A 36 -10.026 -10.849 -5.826 1.00 0.00 C ATOM 550 C ALA A 36 -10.326 -11.521 -4.490 1.00 0.00 C ATOM 551 O ALA A 36 -11.183 -11.065 -3.734 1.00 0.00 O ATOM 552 CB ALA A 36 -10.805 -11.525 -6.945 1.00 0.00 C ATOM 0 H ALA A 36 -8.371 -10.989 -7.104 1.00 0.00 H new ATOM 0 HA ALA A 36 -10.339 -9.807 -5.758 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -11.870 -11.500 -6.714 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -10.625 -11.000 -7.883 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -10.479 -12.561 -7.041 1.00 0.00 H new ATOM 558 N GLU A 37 -9.615 -12.608 -4.207 1.00 0.00 N ATOM 559 CA GLU A 37 -9.807 -13.343 -2.963 1.00 0.00 C ATOM 560 C GLU A 37 -9.094 -12.650 -1.805 1.00 0.00 C ATOM 561 O GLU A 37 -9.648 -12.509 -0.714 1.00 0.00 O ATOM 562 CB GLU A 37 -9.292 -14.777 -3.107 1.00 0.00 C ATOM 563 CG GLU A 37 -10.141 -15.639 -4.027 1.00 0.00 C ATOM 564 CD GLU A 37 -11.245 -16.369 -3.287 1.00 0.00 C ATOM 565 OE1 GLU A 37 -11.818 -15.781 -2.347 1.00 0.00 O ATOM 566 OE2 GLU A 37 -11.535 -17.529 -3.649 1.00 0.00 O ATOM 0 H GLU A 37 -8.901 -12.999 -4.822 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.875 -13.367 -2.747 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.271 -14.751 -3.487 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.253 -15.241 -2.121 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.581 -15.012 -4.802 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.503 -16.366 -4.529 1.00 0.00 H new ATOM 573 N LEU A 38 -7.862 -12.218 -2.051 1.00 0.00 N ATOM 574 CA LEU A 38 -7.071 -11.539 -1.030 1.00 0.00 C ATOM 575 C LEU A 38 -7.792 -10.295 -0.520 1.00 0.00 C ATOM 576 O LEU A 38 -7.910 -10.085 0.687 1.00 0.00 O ATOM 577 CB LEU A 38 -5.701 -11.154 -1.590 1.00 0.00 C ATOM 578 CG LEU A 38 -5.002 -12.214 -2.443 1.00 0.00 C ATOM 579 CD1 LEU A 38 -3.613 -11.744 -2.847 1.00 0.00 C ATOM 580 CD2 LEU A 38 -4.923 -13.535 -1.693 1.00 0.00 C ATOM 0 H LEU A 38 -7.389 -12.326 -2.948 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.935 -12.226 -0.195 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.817 -10.252 -2.190 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.048 -10.900 -0.755 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.588 -12.368 -3.349 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.131 -12.511 -3.453 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.694 -10.823 -3.424 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.017 -11.560 -1.953 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.423 -14.277 -2.315 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.360 -13.396 -0.770 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.930 -13.879 -1.456 1.00 0.00 H new ATOM 592 N SER A 39 -8.276 -9.476 -1.448 1.00 0.00 N ATOM 593 CA SER A 39 -8.985 -8.252 -1.093 1.00 0.00 C ATOM 594 C SER A 39 -9.977 -8.508 0.038 1.00 0.00 C ATOM 595 O SER A 39 -9.944 -7.839 1.071 1.00 0.00 O ATOM 596 CB SER A 39 -9.719 -7.691 -2.313 1.00 0.00 C ATOM 597 OG SER A 39 -9.743 -6.274 -2.286 1.00 0.00 O ATOM 0 H SER A 39 -8.190 -9.638 -2.451 1.00 0.00 H new ATOM 0 HA SER A 39 -8.251 -7.522 -0.752 1.00 0.00 H new ATOM 0 HB2 SER A 39 -9.229 -8.032 -3.225 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.739 -8.075 -2.336 1.00 0.00 H new ATOM 0 HG SER A 39 -10.216 -5.940 -3.077 1.00 0.00 H new ATOM 603 N LYS A 40 -10.858 -9.481 -0.164 1.00 0.00 N ATOM 604 CA LYS A 40 -11.859 -9.828 0.837 1.00 0.00 C ATOM 605 C LYS A 40 -11.283 -9.712 2.245 1.00 0.00 C ATOM 606 O LYS A 40 -11.999 -9.389 3.193 1.00 0.00 O ATOM 607 CB LYS A 40 -12.375 -11.250 0.601 1.00 0.00 C ATOM 608 CG LYS A 40 -13.208 -11.393 -0.660 1.00 0.00 C ATOM 609 CD LYS A 40 -14.688 -11.201 -0.375 1.00 0.00 C ATOM 610 CE LYS A 40 -15.508 -11.207 -1.657 1.00 0.00 C ATOM 611 NZ LYS A 40 -15.638 -9.843 -2.238 1.00 0.00 N ATOM 0 H LYS A 40 -10.899 -10.044 -1.013 1.00 0.00 H new ATOM 0 HA LYS A 40 -12.688 -9.127 0.744 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -11.526 -11.931 0.545 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -12.974 -11.557 1.459 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -12.881 -10.661 -1.398 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -13.045 -12.379 -1.095 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -15.038 -11.994 0.286 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -14.839 -10.258 0.150 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -15.039 -11.869 -2.385 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -16.500 -11.611 -1.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -16.203 -9.889 -3.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -16.109 -9.217 -1.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -14.693 -9.468 -2.457 1.00 0.00 H new ATOM 625 N MET A 41 -9.987 -9.975 2.373 1.00 0.00 N ATOM 626 CA MET A 41 -9.316 -9.897 3.665 1.00 0.00 C ATOM 627 C MET A 41 -8.689 -8.522 3.870 1.00 0.00 C ATOM 628 O MET A 41 -8.648 -8.007 4.988 1.00 0.00 O ATOM 629 CB MET A 41 -8.242 -10.981 3.772 1.00 0.00 C ATOM 630 CG MET A 41 -8.721 -12.356 3.337 1.00 0.00 C ATOM 631 SD MET A 41 -7.370 -13.537 3.157 1.00 0.00 S ATOM 632 CE MET A 41 -7.547 -13.995 1.434 1.00 0.00 C ATOM 0 H MET A 41 -9.381 -10.244 1.598 1.00 0.00 H new ATOM 0 HA MET A 41 -10.062 -10.056 4.444 1.00 0.00 H new ATOM 0 HB2 MET A 41 -7.386 -10.694 3.162 1.00 0.00 H new ATOM 0 HB3 MET A 41 -7.894 -11.036 4.804 1.00 0.00 H new ATOM 0 HG2 MET A 41 -9.435 -12.736 4.068 1.00 0.00 H new ATOM 0 HG3 MET A 41 -9.251 -12.269 2.389 1.00 0.00 H new ATOM 0 HE1 MET A 41 -7.902 -15.023 1.365 1.00 0.00 H new ATOM 0 HE2 MET A 41 -8.264 -13.330 0.953 1.00 0.00 H new ATOM 0 HE3 MET A 41 -6.582 -13.911 0.934 1.00 0.00 H new ATOM 642 N LEU A 42 -8.202 -7.931 2.784 1.00 0.00 N ATOM 643 CA LEU A 42 -7.576 -6.615 2.844 1.00 0.00 C ATOM 644 C LEU A 42 -8.584 -5.552 3.271 1.00 0.00 C ATOM 645 O LEU A 42 -8.214 -4.519 3.827 1.00 0.00 O ATOM 646 CB LEU A 42 -6.978 -6.250 1.485 1.00 0.00 C ATOM 647 CG LEU A 42 -5.837 -7.140 0.993 1.00 0.00 C ATOM 648 CD1 LEU A 42 -5.324 -6.656 -0.355 1.00 0.00 C ATOM 649 CD2 LEU A 42 -4.709 -7.175 2.013 1.00 0.00 C ATOM 0 H LEU A 42 -8.229 -8.343 1.851 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.779 -6.653 3.586 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.775 -6.272 0.742 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.616 -5.223 1.534 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.220 -8.153 0.870 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.512 -7.302 -0.689 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.134 -6.685 -1.084 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.958 -5.634 -0.259 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.906 -7.814 1.645 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.328 -6.166 2.169 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.084 -7.571 2.957 1.00 0.00 H new ATOM 661 N GLY A 43 -9.860 -5.815 3.009 1.00 0.00 N ATOM 662 CA GLY A 43 -10.902 -4.873 3.375 1.00 0.00 C ATOM 663 C GLY A 43 -11.267 -4.954 4.844 1.00 0.00 C ATOM 664 O GLY A 43 -11.261 -3.944 5.549 1.00 0.00 O ATOM 0 H GLY A 43 -10.191 -6.663 2.550 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.571 -3.861 3.141 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.790 -5.065 2.772 1.00 0.00 H new ATOM 668 N LYS A 44 -11.587 -6.157 5.307 1.00 0.00 N ATOM 669 CA LYS A 44 -11.957 -6.367 6.702 1.00 0.00 C ATOM 670 C LYS A 44 -10.858 -5.873 7.636 1.00 0.00 C ATOM 671 O LYS A 44 -11.136 -5.291 8.685 1.00 0.00 O ATOM 672 CB LYS A 44 -12.233 -7.850 6.960 1.00 0.00 C ATOM 673 CG LYS A 44 -10.981 -8.710 6.960 1.00 0.00 C ATOM 674 CD LYS A 44 -11.291 -10.146 7.350 1.00 0.00 C ATOM 675 CE LYS A 44 -12.144 -10.837 6.297 1.00 0.00 C ATOM 676 NZ LYS A 44 -13.577 -10.447 6.400 1.00 0.00 N ATOM 0 H LYS A 44 -11.598 -7.002 4.736 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.863 -5.795 6.902 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.736 -7.956 7.921 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.919 -8.221 6.199 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.525 -8.691 5.970 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -10.252 -8.293 7.654 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.360 -10.697 7.485 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.811 -10.160 8.308 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -11.770 -10.586 5.305 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -12.053 -11.918 6.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -14.170 -11.302 6.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -13.729 -9.911 7.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -13.835 -9.856 5.584 1.00 0.00 H new ATOM 690 N SER A 45 -9.608 -6.107 7.249 1.00 0.00 N ATOM 691 CA SER A 45 -8.467 -5.688 8.054 1.00 0.00 C ATOM 692 C SER A 45 -8.265 -4.178 7.965 1.00 0.00 C ATOM 693 O SER A 45 -7.766 -3.552 8.900 1.00 0.00 O ATOM 694 CB SER A 45 -7.199 -6.411 7.595 1.00 0.00 C ATOM 695 OG SER A 45 -7.152 -7.732 8.107 1.00 0.00 O ATOM 0 H SER A 45 -9.360 -6.585 6.383 1.00 0.00 H new ATOM 0 HA SER A 45 -8.670 -5.950 9.092 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.166 -6.438 6.506 1.00 0.00 H new ATOM 0 HB3 SER A 45 -6.321 -5.857 7.927 1.00 0.00 H new ATOM 0 HG SER A 45 -6.333 -8.174 7.798 1.00 0.00 H new ATOM 701 N TRP A 46 -8.656 -3.601 6.835 1.00 0.00 N ATOM 702 CA TRP A 46 -8.518 -2.165 6.622 1.00 0.00 C ATOM 703 C TRP A 46 -9.454 -1.386 7.540 1.00 0.00 C ATOM 704 O TRP A 46 -9.010 -0.713 8.471 1.00 0.00 O ATOM 705 CB TRP A 46 -8.807 -1.814 5.162 1.00 0.00 C ATOM 706 CG TRP A 46 -8.714 -0.346 4.874 1.00 0.00 C ATOM 707 CD1 TRP A 46 -9.712 0.463 4.411 1.00 0.00 C ATOM 708 CD2 TRP A 46 -7.560 0.486 5.028 1.00 0.00 C ATOM 709 NE1 TRP A 46 -9.247 1.748 4.268 1.00 0.00 N ATOM 710 CE2 TRP A 46 -7.930 1.789 4.641 1.00 0.00 C ATOM 711 CE3 TRP A 46 -6.249 0.258 5.458 1.00 0.00 C ATOM 712 CZ2 TRP A 46 -7.036 2.856 4.670 1.00 0.00 C ATOM 713 CZ3 TRP A 46 -5.364 1.319 5.486 1.00 0.00 C ATOM 714 CH2 TRP A 46 -5.760 2.604 5.095 1.00 0.00 C ATOM 0 H TRP A 46 -9.071 -4.105 6.052 1.00 0.00 H new ATOM 0 HA TRP A 46 -7.491 -1.885 6.859 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -8.105 -2.348 4.522 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -9.806 -2.165 4.902 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -10.719 0.140 4.190 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -9.794 2.543 3.937 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -5.934 -0.729 5.763 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -7.339 3.848 4.368 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -4.349 1.154 5.815 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -5.044 3.412 5.130 1.00 0.00 H new ATOM 725 N LYS A 47 -10.752 -1.482 7.273 1.00 0.00 N ATOM 726 CA LYS A 47 -11.752 -0.789 8.076 1.00 0.00 C ATOM 727 C LYS A 47 -11.474 -0.967 9.565 1.00 0.00 C ATOM 728 O LYS A 47 -11.668 -0.046 10.358 1.00 0.00 O ATOM 729 CB LYS A 47 -13.153 -1.307 7.743 1.00 0.00 C ATOM 730 CG LYS A 47 -13.842 -0.528 6.635 1.00 0.00 C ATOM 731 CD LYS A 47 -14.938 -1.348 5.977 1.00 0.00 C ATOM 732 CE LYS A 47 -14.361 -2.430 5.077 1.00 0.00 C ATOM 733 NZ LYS A 47 -14.137 -1.937 3.690 1.00 0.00 N ATOM 0 H LYS A 47 -11.136 -2.034 6.506 1.00 0.00 H new ATOM 0 HA LYS A 47 -11.698 0.273 7.839 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -13.084 -2.355 7.450 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -13.769 -1.267 8.641 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -14.267 0.389 7.044 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -13.108 -0.232 5.886 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -15.562 -1.806 6.745 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -15.583 -0.692 5.392 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.418 -2.784 5.493 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -15.039 -3.283 5.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -13.743 -2.704 3.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -15.041 -1.623 3.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -13.470 -1.139 3.709 1.00 0.00 H new ATOM 747 N ALA A 48 -11.016 -2.158 9.939 1.00 0.00 N ATOM 748 CA ALA A 48 -10.708 -2.455 11.332 1.00 0.00 C ATOM 749 C ALA A 48 -9.679 -1.476 11.888 1.00 0.00 C ATOM 750 O ALA A 48 -9.800 -1.009 13.021 1.00 0.00 O ATOM 751 CB ALA A 48 -10.205 -3.885 11.467 1.00 0.00 C ATOM 0 H ALA A 48 -10.850 -2.932 9.296 1.00 0.00 H new ATOM 0 HA ALA A 48 -11.624 -2.347 11.912 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -9.979 -4.094 12.513 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -10.973 -4.575 11.117 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.303 -4.012 10.868 1.00 0.00 H new ATOM 757 N LEU A 49 -8.666 -1.170 11.084 1.00 0.00 N ATOM 758 CA LEU A 49 -7.615 -0.246 11.496 1.00 0.00 C ATOM 759 C LEU A 49 -8.210 1.055 12.024 1.00 0.00 C ATOM 760 O LEU A 49 -9.356 1.394 11.725 1.00 0.00 O ATOM 761 CB LEU A 49 -6.678 0.047 10.323 1.00 0.00 C ATOM 762 CG LEU A 49 -5.814 -1.121 9.846 1.00 0.00 C ATOM 763 CD1 LEU A 49 -5.163 -0.793 8.511 1.00 0.00 C ATOM 764 CD2 LEU A 49 -4.758 -1.464 10.886 1.00 0.00 C ATOM 0 H LEU A 49 -8.550 -1.548 10.144 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.046 -0.716 12.299 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.278 0.396 9.483 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.019 0.868 10.606 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.457 -1.991 9.710 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.552 -1.636 8.187 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.936 -0.598 7.767 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.534 0.090 8.620 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.153 -2.297 10.529 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.119 -0.597 11.055 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.245 -1.743 11.820 1.00 0.00 H new ATOM 776 N THR A 50 -7.423 1.784 12.810 1.00 0.00 N ATOM 777 CA THR A 50 -7.871 3.048 13.379 1.00 0.00 C ATOM 778 C THR A 50 -7.234 4.231 12.659 1.00 0.00 C ATOM 779 O THR A 50 -6.313 4.061 11.859 1.00 0.00 O ATOM 780 CB THR A 50 -7.541 3.137 14.881 1.00 0.00 C ATOM 781 OG1 THR A 50 -6.122 3.114 15.072 1.00 0.00 O ATOM 782 CG2 THR A 50 -8.180 1.987 15.644 1.00 0.00 C ATOM 0 H THR A 50 -6.472 1.520 13.067 1.00 0.00 H new ATOM 0 HA THR A 50 -8.953 3.087 13.250 1.00 0.00 H new ATOM 0 HB THR A 50 -7.944 4.074 15.265 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.920 3.173 16.029 1.00 0.00 H new ATOM 0 HG21 THR A 50 -7.933 2.071 16.702 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.262 2.025 15.520 1.00 0.00 H new ATOM 0 HG23 THR A 50 -7.803 1.040 15.258 1.00 0.00 H new ATOM 790 N LEU A 51 -7.728 5.430 12.948 1.00 0.00 N ATOM 791 CA LEU A 51 -7.206 6.643 12.329 1.00 0.00 C ATOM 792 C LEU A 51 -5.684 6.692 12.426 1.00 0.00 C ATOM 793 O LEU A 51 -4.991 6.792 11.414 1.00 0.00 O ATOM 794 CB LEU A 51 -7.811 7.880 12.994 1.00 0.00 C ATOM 795 CG LEU A 51 -7.373 9.230 12.424 1.00 0.00 C ATOM 796 CD1 LEU A 51 -6.013 9.626 12.975 1.00 0.00 C ATOM 797 CD2 LEU A 51 -7.342 9.183 10.904 1.00 0.00 C ATOM 0 H LEU A 51 -8.490 5.588 13.608 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.485 6.632 11.275 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -8.897 7.813 12.922 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.560 7.857 14.054 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.099 9.984 12.729 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.718 10.589 12.558 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.069 9.702 14.061 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.276 8.871 12.702 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.028 10.152 10.516 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.639 8.417 10.578 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.337 8.946 10.527 1.00 0.00 H new ATOM 809 N ALA A 52 -5.172 6.620 13.650 1.00 0.00 N ATOM 810 CA ALA A 52 -3.733 6.652 13.879 1.00 0.00 C ATOM 811 C ALA A 52 -3.017 5.615 13.021 1.00 0.00 C ATOM 812 O ALA A 52 -1.879 5.822 12.603 1.00 0.00 O ATOM 813 CB ALA A 52 -3.428 6.423 15.352 1.00 0.00 C ATOM 0 H ALA A 52 -5.732 6.539 14.498 1.00 0.00 H new ATOM 0 HA ALA A 52 -3.366 7.638 13.592 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.350 6.449 15.509 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.900 7.204 15.947 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.815 5.451 15.657 1.00 0.00 H new ATOM 819 N GLU A 53 -3.692 4.499 12.764 1.00 0.00 N ATOM 820 CA GLU A 53 -3.118 3.429 11.957 1.00 0.00 C ATOM 821 C GLU A 53 -3.101 3.811 10.479 1.00 0.00 C ATOM 822 O GLU A 53 -2.172 3.468 9.748 1.00 0.00 O ATOM 823 CB GLU A 53 -3.909 2.133 12.150 1.00 0.00 C ATOM 824 CG GLU A 53 -3.489 1.341 13.377 1.00 0.00 C ATOM 825 CD GLU A 53 -2.228 0.532 13.146 1.00 0.00 C ATOM 826 OE1 GLU A 53 -1.417 0.930 12.283 1.00 0.00 O ATOM 827 OE2 GLU A 53 -2.052 -0.499 13.828 1.00 0.00 O ATOM 0 H GLU A 53 -4.636 4.313 13.103 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.091 3.272 12.286 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.969 2.373 12.228 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.788 1.508 11.265 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.329 2.026 14.210 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.298 0.671 13.667 1.00 0.00 H new ATOM 834 N LYS A 54 -4.136 4.523 10.047 1.00 0.00 N ATOM 835 CA LYS A 54 -4.242 4.954 8.658 1.00 0.00 C ATOM 836 C LYS A 54 -3.490 6.262 8.435 1.00 0.00 C ATOM 837 O LYS A 54 -3.310 6.699 7.298 1.00 0.00 O ATOM 838 CB LYS A 54 -5.711 5.124 8.266 1.00 0.00 C ATOM 839 CG LYS A 54 -6.555 3.887 8.516 1.00 0.00 C ATOM 840 CD LYS A 54 -8.004 4.109 8.115 1.00 0.00 C ATOM 841 CE LYS A 54 -8.721 2.791 7.864 1.00 0.00 C ATOM 842 NZ LYS A 54 -9.347 2.256 9.105 1.00 0.00 N ATOM 0 H LYS A 54 -4.914 4.814 10.639 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.792 4.185 8.030 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.133 5.960 8.824 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.768 5.385 7.209 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.146 3.047 7.955 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.506 3.619 9.571 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.520 4.661 8.901 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.044 4.723 7.215 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.488 2.934 7.103 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -8.013 2.061 7.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -9.430 1.222 9.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -8.756 2.500 9.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.293 2.672 9.224 1.00 0.00 H new ATOM 856 N ARG A 55 -3.053 6.881 9.527 1.00 0.00 N ATOM 857 CA ARG A 55 -2.320 8.139 9.449 1.00 0.00 C ATOM 858 C ARG A 55 -1.106 8.006 8.535 1.00 0.00 C ATOM 859 O ARG A 55 -0.889 8.811 7.629 1.00 0.00 O ATOM 860 CB ARG A 55 -1.875 8.581 10.845 1.00 0.00 C ATOM 861 CG ARG A 55 -1.880 10.089 11.036 1.00 0.00 C ATOM 862 CD ARG A 55 -3.289 10.619 11.251 1.00 0.00 C ATOM 863 NE ARG A 55 -3.400 12.034 10.909 1.00 0.00 N ATOM 864 CZ ARG A 55 -2.909 13.013 11.660 1.00 0.00 C ATOM 865 NH1 ARG A 55 -2.277 12.732 12.791 1.00 0.00 N ATOM 866 NH2 ARG A 55 -3.050 14.277 11.281 1.00 0.00 N ATOM 0 H ARG A 55 -3.194 6.532 10.475 1.00 0.00 H new ATOM 0 HA ARG A 55 -2.986 8.893 9.031 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -2.531 8.127 11.587 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -0.870 8.203 11.034 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -1.257 10.350 11.892 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -1.439 10.569 10.162 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -3.989 10.044 10.645 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -3.576 10.474 12.293 1.00 0.00 H new ATOM 0 HE ARG A 55 -3.881 12.285 10.045 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -2.167 11.762 13.086 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -1.901 13.486 13.366 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -3.536 14.498 10.412 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -2.672 15.028 11.859 1.00 0.00 H new ATOM 880 N PRO A 56 -0.294 6.966 8.777 1.00 0.00 N ATOM 881 CA PRO A 56 0.912 6.703 7.986 1.00 0.00 C ATOM 882 C PRO A 56 0.587 6.246 6.568 1.00 0.00 C ATOM 883 O PRO A 56 1.334 6.524 5.629 1.00 0.00 O ATOM 884 CB PRO A 56 1.608 5.583 8.763 1.00 0.00 C ATOM 885 CG PRO A 56 0.512 4.899 9.504 1.00 0.00 C ATOM 886 CD PRO A 56 -0.491 5.967 9.840 1.00 0.00 C ATOM 0 HA PRO A 56 1.522 7.598 7.863 1.00 0.00 H new ATOM 0 HB2 PRO A 56 2.121 4.895 8.091 1.00 0.00 H new ATOM 0 HB3 PRO A 56 2.359 5.982 9.445 1.00 0.00 H new ATOM 0 HG2 PRO A 56 0.059 4.116 8.896 1.00 0.00 H new ATOM 0 HG3 PRO A 56 0.891 4.421 10.408 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -1.509 5.577 9.841 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -0.311 6.391 10.828 1.00 0.00 H new ATOM 894 N PHE A 57 -0.531 5.544 6.420 1.00 0.00 N ATOM 895 CA PHE A 57 -0.954 5.047 5.115 1.00 0.00 C ATOM 896 C PHE A 57 -1.853 6.061 4.413 1.00 0.00 C ATOM 897 O PHE A 57 -2.156 5.923 3.228 1.00 0.00 O ATOM 898 CB PHE A 57 -1.691 3.715 5.268 1.00 0.00 C ATOM 899 CG PHE A 57 -0.951 2.713 6.107 1.00 0.00 C ATOM 900 CD1 PHE A 57 0.245 2.170 5.667 1.00 0.00 C ATOM 901 CD2 PHE A 57 -1.452 2.314 7.336 1.00 0.00 C ATOM 902 CE1 PHE A 57 0.929 1.248 6.437 1.00 0.00 C ATOM 903 CE2 PHE A 57 -0.772 1.393 8.110 1.00 0.00 C ATOM 904 CZ PHE A 57 0.419 0.858 7.660 1.00 0.00 C ATOM 0 H PHE A 57 -1.161 5.306 7.187 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.063 4.894 4.506 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.668 3.899 5.714 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -1.866 3.290 4.280 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.648 2.471 4.711 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -2.384 2.727 7.693 1.00 0.00 H new ATOM 0 HE1 PHE A 57 1.861 0.833 6.083 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.172 1.092 9.067 1.00 0.00 H new ATOM 0 HZ PHE A 57 0.950 0.136 8.263 1.00 0.00 H new ATOM 914 N VAL A 58 -2.276 7.081 5.153 1.00 0.00 N ATOM 915 CA VAL A 58 -3.140 8.119 4.603 1.00 0.00 C ATOM 916 C VAL A 58 -2.322 9.302 4.098 1.00 0.00 C ATOM 917 O VAL A 58 -2.643 9.896 3.069 1.00 0.00 O ATOM 918 CB VAL A 58 -4.154 8.618 5.649 1.00 0.00 C ATOM 919 CG1 VAL A 58 -4.726 9.966 5.237 1.00 0.00 C ATOM 920 CG2 VAL A 58 -5.263 7.596 5.845 1.00 0.00 C ATOM 0 H VAL A 58 -2.034 7.211 6.135 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.681 7.672 3.769 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.637 8.745 6.600 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.441 10.303 5.988 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.919 10.693 5.152 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.229 9.869 4.275 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.971 7.965 6.587 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.780 7.435 4.899 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.834 6.655 6.189 1.00 0.00 H new ATOM 930 N GLU A 59 -1.265 9.640 4.830 1.00 0.00 N ATOM 931 CA GLU A 59 -0.402 10.754 4.455 1.00 0.00 C ATOM 932 C GLU A 59 0.519 10.365 3.303 1.00 0.00 C ATOM 933 O GLU A 59 1.177 11.217 2.707 1.00 0.00 O ATOM 934 CB GLU A 59 0.430 11.209 5.656 1.00 0.00 C ATOM 935 CG GLU A 59 -0.398 11.490 6.899 1.00 0.00 C ATOM 936 CD GLU A 59 -0.861 12.931 6.979 1.00 0.00 C ATOM 937 OE1 GLU A 59 -0.116 13.821 6.519 1.00 0.00 O ATOM 938 OE2 GLU A 59 -1.971 13.169 7.501 1.00 0.00 O ATOM 0 H GLU A 59 -0.986 9.159 5.685 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.036 11.578 4.128 1.00 0.00 H new ATOM 0 HB2 GLU A 59 1.168 10.441 5.887 1.00 0.00 H new ATOM 0 HB3 GLU A 59 0.981 12.110 5.385 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.267 10.832 6.908 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.191 11.252 7.785 1.00 0.00 H new ATOM 945 N GLU A 60 0.559 9.073 2.995 1.00 0.00 N ATOM 946 CA GLU A 60 1.400 8.571 1.915 1.00 0.00 C ATOM 947 C GLU A 60 0.636 8.552 0.594 1.00 0.00 C ATOM 948 O GLU A 60 1.037 9.192 -0.377 1.00 0.00 O ATOM 949 CB GLU A 60 1.907 7.165 2.244 1.00 0.00 C ATOM 950 CG GLU A 60 2.380 6.388 1.027 1.00 0.00 C ATOM 951 CD GLU A 60 3.481 5.399 1.358 1.00 0.00 C ATOM 952 OE1 GLU A 60 3.385 4.735 2.411 1.00 0.00 O ATOM 953 OE2 GLU A 60 4.438 5.290 0.563 1.00 0.00 O ATOM 0 H GLU A 60 0.019 8.355 3.478 1.00 0.00 H new ATOM 0 HA GLU A 60 2.253 9.242 1.812 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.728 7.242 2.957 1.00 0.00 H new ATOM 0 HB3 GLU A 60 1.110 6.606 2.734 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.536 5.854 0.591 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.739 7.087 0.272 1.00 0.00 H new ATOM 960 N ALA A 61 -0.468 7.812 0.567 1.00 0.00 N ATOM 961 CA ALA A 61 -1.289 7.709 -0.633 1.00 0.00 C ATOM 962 C ALA A 61 -1.603 9.089 -1.203 1.00 0.00 C ATOM 963 O ALA A 61 -1.573 9.290 -2.416 1.00 0.00 O ATOM 964 CB ALA A 61 -2.576 6.957 -0.329 1.00 0.00 C ATOM 0 H ALA A 61 -0.814 7.275 1.362 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.725 7.154 -1.383 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.179 6.888 -1.234 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.337 5.954 0.025 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -3.136 7.489 0.440 1.00 0.00 H new ATOM 970 N GLU A 62 -1.904 10.035 -0.318 1.00 0.00 N ATOM 971 CA GLU A 62 -2.225 11.395 -0.735 1.00 0.00 C ATOM 972 C GLU A 62 -1.137 11.956 -1.646 1.00 0.00 C ATOM 973 O GLU A 62 -1.403 12.340 -2.785 1.00 0.00 O ATOM 974 CB GLU A 62 -2.399 12.299 0.487 1.00 0.00 C ATOM 975 CG GLU A 62 -2.602 13.763 0.137 1.00 0.00 C ATOM 976 CD GLU A 62 -4.066 14.129 -0.015 1.00 0.00 C ATOM 977 OE1 GLU A 62 -4.634 13.869 -1.096 1.00 0.00 O ATOM 978 OE2 GLU A 62 -4.644 14.675 0.949 1.00 0.00 O ATOM 0 H GLU A 62 -1.932 9.885 0.690 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.161 11.365 -1.292 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.254 11.951 1.067 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.521 12.205 1.126 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.155 14.384 0.913 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.077 13.987 -0.792 1.00 0.00 H new ATOM 985 N ARG A 63 0.089 12.000 -1.135 1.00 0.00 N ATOM 986 CA ARG A 63 1.218 12.515 -1.900 1.00 0.00 C ATOM 987 C ARG A 63 1.251 11.905 -3.298 1.00 0.00 C ATOM 988 O ARG A 63 1.491 12.600 -4.286 1.00 0.00 O ATOM 989 CB ARG A 63 2.531 12.222 -1.173 1.00 0.00 C ATOM 990 CG ARG A 63 2.599 12.815 0.225 1.00 0.00 C ATOM 991 CD ARG A 63 3.559 12.039 1.113 1.00 0.00 C ATOM 992 NE ARG A 63 4.058 12.850 2.220 1.00 0.00 N ATOM 993 CZ ARG A 63 4.600 12.340 3.320 1.00 0.00 C ATOM 994 NH1 ARG A 63 4.714 11.026 3.458 1.00 0.00 N ATOM 995 NH2 ARG A 63 5.031 13.143 4.283 1.00 0.00 N ATOM 0 H ARG A 63 0.326 11.685 -0.194 1.00 0.00 H new ATOM 0 HA ARG A 63 1.097 13.594 -1.996 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.667 11.143 -1.108 1.00 0.00 H new ATOM 0 HB3 ARG A 63 3.359 12.612 -1.765 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.918 13.856 0.165 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.605 12.811 0.672 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.055 11.157 1.508 1.00 0.00 H new ATOM 0 HD3 ARG A 63 4.399 11.685 0.516 1.00 0.00 H new ATOM 0 HE ARG A 63 3.986 13.865 2.144 1.00 0.00 H new ATOM 0 HH11 ARG A 63 4.385 10.405 2.719 1.00 0.00 H new ATOM 0 HH12 ARG A 63 5.131 10.636 4.304 1.00 0.00 H new ATOM 0 HH21 ARG A 63 4.947 14.154 4.180 1.00 0.00 H new ATOM 0 HH22 ARG A 63 5.447 12.750 5.127 1.00 0.00 H new