USER MOD reduce.3.24.130724 H: found=0, std=0, add=357, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 361 hydrogens (6 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 NoAdj-H: B 179 TPO H2 : B 179 TPO N : B 178 GLU C :(H bumps) USER MOD Set 1.1: A 392 THR OG1 : rot -137:sc= 1.24 USER MOD Set 1.2: A 394 THR OG1 : rot 180:sc= 0.99 USER MOD Single : A 369 SER OG : rot 46:sc= 0.0663 USER MOD Single : A 375 LYS NZ :NH3+ 175:sc=-1.22e-05 (180deg=-0.0604) USER MOD Single : A 378 LYS NZ :NH3+ 165:sc= -0.85 (180deg=-1.6!) USER MOD Single : A 381 THR OG1 : rot 29:sc= 0.0951 USER MOD Single : A 382 TYR OH : rot 68:sc= 1.22 USER MOD Single : A 383 TYR OH : rot 165:sc=-0.00288 USER MOD Single : A 385 ASN :FLIP amide:sc= -8.83! C(o=-9.5!,f=-8.8!) USER MOD Single : A 386 HIS : no HD1:sc= -6.81! C(o=-6.8!,f=-13!) USER MOD Single : A 387 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 388 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 390 THR OG1 : rot 180:sc= 0 USER MOD Single : A 391 THR OG1 : rot 93:sc= 0.206 USER MOD Single : A 398 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 399 GLN : amide:sc= -0.888 X(o=-0.89,f=-0.66) USER MOD Single : B 184 TYR OH : rot -165:sc= -3.69! USER MOD Single : B 186 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 366 11.525 -1.216 -2.741 1.00 15.00 N ATOM 2 CA GLY A 366 11.557 -1.927 -1.479 1.00 15.00 C ATOM 3 C GLY A 366 10.196 -2.002 -0.820 1.00 15.00 C ATOM 4 O GLY A 366 9.468 -1.007 -0.761 1.00 15.00 O ATOM 0 HA2 GLY A 366 11.933 -2.937 -1.644 1.00 15.00 H new ATOM 0 HA3 GLY A 366 12.257 -1.433 -0.805 1.00 15.00 H new ATOM 8 N LEU A 367 9.841 -3.185 -0.343 1.00 15.00 N ATOM 9 CA LEU A 367 8.586 -3.384 0.365 1.00 15.00 C ATOM 10 C LEU A 367 8.867 -3.511 1.858 1.00 15.00 C ATOM 11 O LEU A 367 9.653 -4.366 2.270 1.00 15.00 O ATOM 12 CB LEU A 367 7.889 -4.650 -0.143 1.00 15.00 C ATOM 13 CG LEU A 367 6.418 -4.791 0.226 1.00 15.00 C ATOM 14 CD1 LEU A 367 5.586 -3.763 -0.521 1.00 15.00 C ATOM 15 CD2 LEU A 367 5.950 -6.206 -0.083 1.00 15.00 C ATOM 0 H LEU A 367 10.409 -4.027 -0.434 1.00 15.00 H new ATOM 0 HA LEU A 367 7.932 -2.530 0.187 1.00 15.00 H new ATOM 0 HB2 LEU A 367 7.976 -4.679 -1.229 1.00 15.00 H new ATOM 0 HB3 LEU A 367 8.425 -5.517 0.243 1.00 15.00 H new ATOM 0 HG LEU A 367 6.292 -4.608 1.293 1.00 15.00 H new ATOM 0 HD11 LEU A 367 4.537 -3.876 -0.247 1.00 15.00 H new ATOM 0 HD12 LEU A 367 5.924 -2.761 -0.258 1.00 15.00 H new ATOM 0 HD13 LEU A 367 5.699 -3.914 -1.595 1.00 15.00 H new ATOM 0 HD21 LEU A 367 4.897 -6.307 0.181 1.00 15.00 H new ATOM 0 HD22 LEU A 367 6.078 -6.408 -1.146 1.00 15.00 H new ATOM 0 HD23 LEU A 367 6.539 -6.918 0.495 1.00 15.00 H new ATOM 27 N PRO A 368 8.235 -2.676 2.694 1.00 15.00 N ATOM 28 CA PRO A 368 8.488 -2.660 4.117 1.00 15.00 C ATOM 29 C PRO A 368 7.582 -3.620 4.872 1.00 15.00 C ATOM 30 O PRO A 368 6.393 -3.764 4.575 1.00 15.00 O ATOM 31 CB PRO A 368 8.131 -1.234 4.497 1.00 15.00 C ATOM 32 CG PRO A 368 6.982 -0.936 3.615 1.00 15.00 C ATOM 33 CD PRO A 368 7.294 -1.623 2.313 1.00 15.00 C ATOM 0 HA PRO A 368 9.508 -2.961 4.358 1.00 15.00 H new ATOM 0 HB2 PRO A 368 7.864 -1.151 5.551 1.00 15.00 H new ATOM 0 HB3 PRO A 368 8.962 -0.550 4.324 1.00 15.00 H new ATOM 0 HG2 PRO A 368 6.051 -1.307 4.043 1.00 15.00 H new ATOM 0 HG3 PRO A 368 6.862 0.138 3.474 1.00 15.00 H new ATOM 0 HD2 PRO A 368 6.396 -2.036 1.853 1.00 15.00 H new ATOM 0 HD3 PRO A 368 7.734 -0.934 1.592 1.00 15.00 H new ATOM 41 N SER A 369 8.157 -4.247 5.857 1.00 15.00 N ATOM 42 CA SER A 369 7.451 -5.189 6.697 1.00 15.00 C ATOM 43 C SER A 369 6.471 -4.473 7.628 1.00 15.00 C ATOM 44 O SER A 369 6.877 -3.604 8.406 1.00 15.00 O ATOM 45 CB SER A 369 8.465 -5.963 7.521 1.00 15.00 C ATOM 46 OG SER A 369 9.518 -5.109 7.940 1.00 15.00 O ATOM 0 H SER A 369 9.138 -4.122 6.107 1.00 15.00 H new ATOM 0 HA SER A 369 6.879 -5.866 6.063 1.00 15.00 H new ATOM 0 HB2 SER A 369 7.977 -6.402 8.391 1.00 15.00 H new ATOM 0 HB3 SER A 369 8.869 -6.787 6.932 1.00 15.00 H new ATOM 0 HG SER A 369 9.143 -4.271 8.282 1.00 15.00 H new ATOM 52 N GLY A 370 5.188 -4.809 7.540 1.00 15.00 N ATOM 53 CA GLY A 370 4.230 -4.275 8.484 1.00 15.00 C ATOM 54 C GLY A 370 2.954 -3.863 7.804 1.00 15.00 C ATOM 55 O GLY A 370 1.922 -3.692 8.444 1.00 15.00 O ATOM 0 H GLY A 370 4.799 -5.437 6.837 1.00 15.00 H new ATOM 0 HA2 GLY A 370 4.012 -5.024 9.245 1.00 15.00 H new ATOM 0 HA3 GLY A 370 4.663 -3.416 8.997 1.00 15.00 H new ATOM 59 N TRP A 371 3.045 -3.631 6.508 1.00 15.00 N ATOM 60 CA TRP A 371 1.891 -3.370 5.696 1.00 15.00 C ATOM 61 C TRP A 371 1.533 -4.612 4.906 1.00 15.00 C ATOM 62 O TRP A 371 2.321 -5.553 4.831 1.00 15.00 O ATOM 63 CB TRP A 371 2.195 -2.254 4.711 1.00 15.00 C ATOM 64 CG TRP A 371 2.910 -1.063 5.281 1.00 15.00 C ATOM 65 CD1 TRP A 371 3.704 -0.998 6.382 1.00 15.00 C ATOM 66 CD2 TRP A 371 2.875 0.243 4.745 1.00 15.00 C ATOM 67 NE1 TRP A 371 4.193 0.266 6.538 1.00 15.00 N ATOM 68 CE2 TRP A 371 3.681 1.061 5.545 1.00 15.00 C ATOM 69 CE3 TRP A 371 2.229 0.779 3.659 1.00 15.00 C ATOM 70 CZ2 TRP A 371 3.854 2.419 5.278 1.00 15.00 C ATOM 71 CZ3 TRP A 371 2.383 2.130 3.381 1.00 15.00 C ATOM 72 CH2 TRP A 371 3.193 2.938 4.194 1.00 15.00 C ATOM 0 H TRP A 371 3.927 -3.620 5.996 1.00 15.00 H new ATOM 0 HA TRP A 371 1.065 -3.082 6.346 1.00 15.00 H new ATOM 0 HB2 TRP A 371 2.798 -2.663 3.900 1.00 15.00 H new ATOM 0 HB3 TRP A 371 1.257 -1.916 4.271 1.00 15.00 H new ATOM 0 HD1 TRP A 371 3.917 -1.828 7.039 1.00 15.00 H new ATOM 0 HE1 TRP A 371 4.833 0.569 7.272 1.00 15.00 H new ATOM 0 HE3 TRP A 371 1.609 0.158 3.029 1.00 15.00 H new ATOM 0 HZ2 TRP A 371 4.484 3.038 5.900 1.00 15.00 H new ATOM 0 HZ3 TRP A 371 1.875 2.563 2.532 1.00 15.00 H new ATOM 0 HH2 TRP A 371 3.298 3.988 3.962 1.00 15.00 H new ATOM 83 N GLU A 372 0.356 -4.606 4.306 1.00 15.00 N ATOM 84 CA GLU A 372 0.019 -5.636 3.345 1.00 15.00 C ATOM 85 C GLU A 372 -0.034 -5.008 1.952 1.00 15.00 C ATOM 86 O GLU A 372 -0.811 -4.080 1.719 1.00 15.00 O ATOM 87 CB GLU A 372 -1.319 -6.341 3.654 1.00 15.00 C ATOM 88 CG GLU A 372 -1.554 -6.681 5.117 1.00 15.00 C ATOM 89 CD GLU A 372 -0.434 -7.486 5.745 1.00 15.00 C ATOM 90 OE1 GLU A 372 -0.193 -8.632 5.312 1.00 15.00 O ATOM 91 OE2 GLU A 372 0.189 -6.984 6.706 1.00 15.00 O1- ATOM 0 H GLU A 372 -0.372 -3.909 4.465 1.00 15.00 H new ATOM 0 HA GLU A 372 0.791 -6.404 3.400 1.00 15.00 H new ATOM 0 HB2 GLU A 372 -2.134 -5.703 3.311 1.00 15.00 H new ATOM 0 HB3 GLU A 372 -1.368 -7.261 3.072 1.00 15.00 H new ATOM 0 HG2 GLU A 372 -1.684 -5.756 5.679 1.00 15.00 H new ATOM 0 HG3 GLU A 372 -2.485 -7.241 5.205 1.00 15.00 H new ATOM 98 N GLU A 373 0.807 -5.481 1.040 1.00 15.00 N ATOM 99 CA GLU A 373 0.871 -4.915 -0.299 1.00 15.00 C ATOM 100 C GLU A 373 -0.072 -5.582 -1.276 1.00 15.00 C ATOM 101 O GLU A 373 -0.373 -6.770 -1.178 1.00 15.00 O ATOM 102 CB GLU A 373 2.275 -4.960 -0.887 1.00 15.00 C ATOM 103 CG GLU A 373 2.898 -6.350 -1.087 1.00 15.00 C ATOM 104 CD GLU A 373 2.682 -7.336 0.051 1.00 15.00 C ATOM 105 OE1 GLU A 373 2.985 -6.998 1.209 1.00 15.00 O ATOM 106 OE2 GLU A 373 2.218 -8.465 -0.221 1.00 15.00 O1- ATOM 0 H GLU A 373 1.452 -6.254 1.204 1.00 15.00 H new ATOM 0 HA GLU A 373 0.564 -3.878 -0.164 1.00 15.00 H new ATOM 0 HB2 GLU A 373 2.255 -4.454 -1.852 1.00 15.00 H new ATOM 0 HB3 GLU A 373 2.934 -4.383 -0.238 1.00 15.00 H new ATOM 0 HG2 GLU A 373 2.491 -6.783 -2.001 1.00 15.00 H new ATOM 0 HG3 GLU A 373 3.970 -6.229 -1.241 1.00 15.00 H new ATOM 113 N ARG A 374 -0.505 -4.795 -2.242 1.00 15.00 N ATOM 114 CA ARG A 374 -1.382 -5.279 -3.300 1.00 15.00 C ATOM 115 C ARG A 374 -1.081 -4.563 -4.604 1.00 15.00 C ATOM 116 O ARG A 374 -1.292 -3.355 -4.726 1.00 15.00 O ATOM 117 CB ARG A 374 -2.864 -5.090 -2.956 1.00 15.00 C ATOM 118 CG ARG A 374 -3.282 -5.753 -1.662 1.00 15.00 C ATOM 119 CD ARG A 374 -4.624 -6.462 -1.788 1.00 15.00 C ATOM 120 NE ARG A 374 -5.750 -5.585 -1.480 1.00 15.00 N ATOM 121 CZ ARG A 374 -6.957 -5.684 -2.040 1.00 15.00 C ATOM 122 NH1 ARG A 374 -7.207 -6.617 -2.953 1.00 15.00 N1+ ATOM 123 NH2 ARG A 374 -7.922 -4.851 -1.675 1.00 15.00 N ATOM 0 H ARG A 374 -0.263 -3.807 -2.319 1.00 15.00 H new ATOM 0 HA ARG A 374 -1.190 -6.347 -3.405 1.00 15.00 H new ATOM 0 HB2 ARG A 374 -3.079 -4.023 -2.892 1.00 15.00 H new ATOM 0 HB3 ARG A 374 -3.470 -5.489 -3.770 1.00 15.00 H new ATOM 0 HG2 ARG A 374 -2.520 -6.472 -1.361 1.00 15.00 H new ATOM 0 HG3 ARG A 374 -3.342 -5.003 -0.874 1.00 15.00 H new ATOM 0 HD2 ARG A 374 -4.734 -6.847 -2.802 1.00 15.00 H new ATOM 0 HD3 ARG A 374 -4.642 -7.321 -1.117 1.00 15.00 H new ATOM 0 HE ARG A 374 -5.604 -4.847 -0.791 1.00 15.00 H new ATOM 0 HH11 ARG A 374 -6.472 -7.267 -3.232 1.00 15.00 H new ATOM 0 HH12 ARG A 374 -8.134 -6.683 -3.374 1.00 15.00 H new ATOM 0 HH21 ARG A 374 -7.740 -4.138 -0.969 1.00 15.00 H new ATOM 0 HH22 ARG A 374 -8.846 -4.923 -2.101 1.00 15.00 H new ATOM 137 N LYS A 375 -0.555 -5.302 -5.564 1.00 15.00 N ATOM 138 CA LYS A 375 -0.382 -4.787 -6.908 1.00 15.00 C ATOM 139 C LYS A 375 -1.578 -5.223 -7.740 1.00 15.00 C ATOM 140 O LYS A 375 -1.618 -6.349 -8.239 1.00 15.00 O ATOM 141 CB LYS A 375 0.935 -5.287 -7.513 1.00 15.00 C ATOM 142 CG LYS A 375 1.191 -4.811 -8.935 1.00 15.00 C ATOM 143 CD LYS A 375 2.555 -5.261 -9.429 1.00 15.00 C ATOM 144 CE LYS A 375 2.768 -4.919 -10.894 1.00 15.00 C ATOM 145 NZ LYS A 375 2.675 -3.457 -11.155 1.00 15.00 N1+ ATOM 0 H LYS A 375 -0.240 -6.264 -5.436 1.00 15.00 H new ATOM 0 HA LYS A 375 -0.329 -3.698 -6.892 1.00 15.00 H new ATOM 0 HB2 LYS A 375 1.760 -4.961 -6.879 1.00 15.00 H new ATOM 0 HB3 LYS A 375 0.936 -6.377 -7.501 1.00 15.00 H new ATOM 0 HG2 LYS A 375 0.416 -5.199 -9.596 1.00 15.00 H new ATOM 0 HG3 LYS A 375 1.128 -3.724 -8.974 1.00 15.00 H new ATOM 0 HD2 LYS A 375 3.333 -4.788 -8.829 1.00 15.00 H new ATOM 0 HD3 LYS A 375 2.655 -6.337 -9.289 1.00 15.00 H new ATOM 0 HE2 LYS A 375 3.747 -5.280 -11.210 1.00 15.00 H new ATOM 0 HE3 LYS A 375 2.026 -5.441 -11.498 1.00 15.00 H new ATOM 0 HZ1 LYS A 375 2.911 -3.266 -12.150 1.00 15.00 H new ATOM 0 HZ2 LYS A 375 1.707 -3.130 -10.960 1.00 15.00 H new ATOM 0 HZ3 LYS A 375 3.342 -2.951 -10.538 1.00 15.00 H new ATOM 159 N ASP A 376 -2.580 -4.357 -7.836 1.00 15.00 N ATOM 160 CA ASP A 376 -3.854 -4.748 -8.419 1.00 15.00 C ATOM 161 C ASP A 376 -3.873 -4.499 -9.923 1.00 15.00 C ATOM 162 O ASP A 376 -3.283 -3.520 -10.415 1.00 15.00 O ATOM 163 CB ASP A 376 -5.005 -3.994 -7.749 1.00 15.00 C ATOM 164 CG ASP A 376 -6.361 -4.558 -8.137 1.00 15.00 C ATOM 165 OD1 ASP A 376 -6.820 -5.514 -7.477 1.00 15.00 O1- ATOM 166 OD2 ASP A 376 -6.969 -4.055 -9.107 1.00 15.00 O ATOM 0 H ASP A 376 -2.535 -3.388 -7.520 1.00 15.00 H new ATOM 0 HA ASP A 376 -3.983 -5.817 -8.248 1.00 15.00 H new ATOM 0 HB2 ASP A 376 -4.889 -4.044 -6.666 1.00 15.00 H new ATOM 0 HB3 ASP A 376 -4.958 -2.941 -8.027 1.00 15.00 H new ATOM 171 N ALA A 377 -4.603 -5.363 -10.637 1.00 15.00 N ATOM 172 CA ALA A 377 -4.663 -5.346 -12.094 1.00 15.00 C ATOM 173 C ALA A 377 -5.324 -4.082 -12.638 1.00 15.00 C ATOM 174 O ALA A 377 -5.384 -3.884 -13.853 1.00 15.00 O ATOM 175 CB ALA A 377 -5.405 -6.576 -12.591 1.00 15.00 C ATOM 0 H ALA A 377 -5.171 -6.097 -10.213 1.00 15.00 H new ATOM 0 HA ALA A 377 -3.637 -5.354 -12.462 1.00 15.00 H new ATOM 0 HB1 ALA A 377 -5.448 -6.560 -13.680 1.00 15.00 H new ATOM 0 HB2 ALA A 377 -4.882 -7.474 -12.262 1.00 15.00 H new ATOM 0 HB3 ALA A 377 -6.418 -6.577 -12.188 1.00 15.00 H new ATOM 181 N LYS A 378 -5.824 -3.234 -11.744 1.00 15.00 N ATOM 182 CA LYS A 378 -6.345 -1.928 -12.139 1.00 15.00 C ATOM 183 C LYS A 378 -5.207 -1.023 -12.614 1.00 15.00 C ATOM 184 O LYS A 378 -5.438 0.074 -13.115 1.00 15.00 O ATOM 185 CB LYS A 378 -7.112 -1.279 -10.978 1.00 15.00 C ATOM 186 CG LYS A 378 -6.264 -1.022 -9.739 1.00 15.00 C ATOM 187 CD LYS A 378 -7.118 -0.710 -8.510 1.00 15.00 C ATOM 188 CE LYS A 378 -7.608 0.735 -8.473 1.00 15.00 C ATOM 189 NZ LYS A 378 -8.501 1.072 -9.613 1.00 15.00 N1+ ATOM 0 H LYS A 378 -5.880 -3.426 -10.744 1.00 15.00 H new ATOM 0 HA LYS A 378 -7.040 -2.067 -12.967 1.00 15.00 H new ATOM 0 HB2 LYS A 378 -7.534 -0.334 -11.319 1.00 15.00 H new ATOM 0 HB3 LYS A 378 -7.949 -1.922 -10.705 1.00 15.00 H new ATOM 0 HG2 LYS A 378 -5.645 -1.896 -9.537 1.00 15.00 H new ATOM 0 HG3 LYS A 378 -5.587 -0.189 -9.930 1.00 15.00 H new ATOM 0 HD2 LYS A 378 -7.978 -1.380 -8.493 1.00 15.00 H new ATOM 0 HD3 LYS A 378 -6.537 -0.914 -7.610 1.00 15.00 H new ATOM 0 HE2 LYS A 378 -8.140 0.909 -7.538 1.00 15.00 H new ATOM 0 HE3 LYS A 378 -6.748 1.405 -8.481 1.00 15.00 H new ATOM 0 HZ1 LYS A 378 -9.001 1.961 -9.411 1.00 15.00 H new ATOM 0 HZ2 LYS A 378 -7.934 1.182 -10.478 1.00 15.00 H new ATOM 0 HZ3 LYS A 378 -9.194 0.308 -9.749 1.00 15.00 H new ATOM 203 N GLY A 379 -3.977 -1.506 -12.462 1.00 15.00 N ATOM 204 CA GLY A 379 -2.817 -0.769 -12.921 1.00 15.00 C ATOM 205 C GLY A 379 -2.267 0.151 -11.860 1.00 15.00 C ATOM 206 O GLY A 379 -1.578 1.124 -12.161 1.00 15.00 O ATOM 0 H GLY A 379 -3.764 -2.403 -12.025 1.00 15.00 H new ATOM 0 HA2 GLY A 379 -2.041 -1.471 -13.228 1.00 15.00 H new ATOM 0 HA3 GLY A 379 -3.085 -0.185 -13.802 1.00 15.00 H new ATOM 210 N ARG A 380 -2.550 -0.181 -10.611 1.00 15.00 N ATOM 211 CA ARG A 380 -2.113 0.626 -9.479 1.00 15.00 C ATOM 212 C ARG A 380 -1.818 -0.258 -8.269 1.00 15.00 C ATOM 213 O ARG A 380 -2.696 -0.979 -7.792 1.00 15.00 O ATOM 214 CB ARG A 380 -3.169 1.689 -9.130 1.00 15.00 C ATOM 215 CG ARG A 380 -2.992 3.023 -9.855 1.00 15.00 C ATOM 216 CD ARG A 380 -4.314 3.778 -10.011 1.00 15.00 C ATOM 217 NE ARG A 380 -5.064 3.290 -11.171 1.00 15.00 N ATOM 218 CZ ARG A 380 -4.669 3.421 -12.444 1.00 15.00 C ATOM 219 NH1 ARG A 380 -3.550 4.054 -12.758 1.00 15.00 N1+ ATOM 220 NH2 ARG A 380 -5.406 2.905 -13.408 1.00 15.00 N ATOM 0 H ARG A 380 -3.085 -1.010 -10.352 1.00 15.00 H new ATOM 0 HA ARG A 380 -1.193 1.138 -9.760 1.00 15.00 H new ATOM 0 HB2 ARG A 380 -4.157 1.292 -9.364 1.00 15.00 H new ATOM 0 HB3 ARG A 380 -3.144 1.868 -8.055 1.00 15.00 H new ATOM 0 HG2 ARG A 380 -2.285 3.643 -9.304 1.00 15.00 H new ATOM 0 HG3 ARG A 380 -2.559 2.845 -10.839 1.00 15.00 H new ATOM 0 HD2 ARG A 380 -4.914 3.658 -9.109 1.00 15.00 H new ATOM 0 HD3 ARG A 380 -4.117 4.844 -10.123 1.00 15.00 H new ATOM 0 HE ARG A 380 -5.950 2.817 -10.997 1.00 15.00 H new ATOM 0 HH11 ARG A 380 -2.967 4.455 -12.023 1.00 15.00 H new ATOM 0 HH12 ARG A 380 -3.270 4.141 -13.735 1.00 15.00 H new ATOM 0 HH21 ARG A 380 -6.269 2.411 -13.181 1.00 15.00 H new ATOM 0 HH22 ARG A 380 -5.113 3.000 -14.380 1.00 15.00 H new ATOM 234 N THR A 381 -0.579 -0.217 -7.792 1.00 15.00 N ATOM 235 CA THR A 381 -0.185 -0.982 -6.620 1.00 15.00 C ATOM 236 C THR A 381 -0.258 -0.099 -5.381 1.00 15.00 C ATOM 237 O THR A 381 0.176 1.052 -5.410 1.00 15.00 O ATOM 238 CB THR A 381 1.242 -1.569 -6.778 1.00 15.00 C ATOM 239 OG1 THR A 381 1.601 -2.344 -5.625 1.00 15.00 O ATOM 240 CG2 THR A 381 2.275 -0.472 -6.995 1.00 15.00 C ATOM 0 H THR A 381 0.170 0.340 -8.202 1.00 15.00 H new ATOM 0 HA THR A 381 -0.876 -1.818 -6.511 1.00 15.00 H new ATOM 0 HB THR A 381 1.232 -2.213 -7.657 1.00 15.00 H new ATOM 0 HG1 THR A 381 0.792 -2.717 -5.217 1.00 15.00 H new ATOM 0 HG21 THR A 381 3.263 -0.919 -7.102 1.00 15.00 H new ATOM 0 HG22 THR A 381 2.029 0.085 -7.899 1.00 15.00 H new ATOM 0 HG23 THR A 381 2.273 0.204 -6.140 1.00 15.00 H new ATOM 248 N TYR A 382 -0.822 -0.625 -4.303 1.00 15.00 N ATOM 249 CA TYR A 382 -1.001 0.169 -3.101 1.00 15.00 C ATOM 250 C TYR A 382 -0.642 -0.647 -1.866 1.00 15.00 C ATOM 251 O TYR A 382 -0.761 -1.875 -1.862 1.00 15.00 O ATOM 252 CB TYR A 382 -2.437 0.697 -3.014 1.00 15.00 C ATOM 253 CG TYR A 382 -3.426 -0.183 -2.289 1.00 15.00 C ATOM 254 CD1 TYR A 382 -3.660 -1.506 -2.646 1.00 15.00 C ATOM 255 CD2 TYR A 382 -4.131 0.341 -1.230 1.00 15.00 C ATOM 256 CE1 TYR A 382 -4.573 -2.276 -1.949 1.00 15.00 C ATOM 257 CE2 TYR A 382 -5.043 -0.407 -0.535 1.00 15.00 C ATOM 258 CZ TYR A 382 -5.264 -1.724 -0.891 1.00 15.00 C ATOM 259 OH TYR A 382 -6.175 -2.488 -0.194 1.00 15.00 O ATOM 0 H TYR A 382 -1.159 -1.586 -4.238 1.00 15.00 H new ATOM 0 HA TYR A 382 -0.330 1.026 -3.147 1.00 15.00 H new ATOM 0 HB2 TYR A 382 -2.416 1.668 -2.520 1.00 15.00 H new ATOM 0 HB3 TYR A 382 -2.804 0.862 -4.027 1.00 15.00 H new ATOM 0 HD1 TYR A 382 -3.122 -1.938 -3.477 1.00 15.00 H new ATOM 0 HD2 TYR A 382 -3.961 1.367 -0.940 1.00 15.00 H new ATOM 0 HE1 TYR A 382 -4.744 -3.304 -2.232 1.00 15.00 H new ATOM 0 HE2 TYR A 382 -5.588 0.031 0.289 1.00 15.00 H new ATOM 0 HH TYR A 382 -5.703 -3.189 0.301 1.00 15.00 H new ATOM 269 N TYR A 383 -0.175 0.033 -0.833 1.00 15.00 N ATOM 270 CA TYR A 383 0.231 -0.629 0.396 1.00 15.00 C ATOM 271 C TYR A 383 -0.562 -0.060 1.577 1.00 15.00 C ATOM 272 O TYR A 383 -0.643 1.160 1.735 1.00 15.00 O ATOM 273 CB TYR A 383 1.737 -0.429 0.616 1.00 15.00 C ATOM 274 CG TYR A 383 2.541 -0.464 -0.665 1.00 15.00 C ATOM 275 CD1 TYR A 383 2.791 -1.663 -1.311 1.00 15.00 C ATOM 276 CD2 TYR A 383 3.033 0.705 -1.238 1.00 15.00 C ATOM 277 CE1 TYR A 383 3.511 -1.704 -2.488 1.00 15.00 C ATOM 278 CE2 TYR A 383 3.748 0.672 -2.417 1.00 15.00 C ATOM 279 CZ TYR A 383 3.986 -0.534 -3.038 1.00 15.00 C ATOM 280 OH TYR A 383 4.691 -0.571 -4.215 1.00 15.00 O ATOM 0 H TYR A 383 -0.067 1.047 -0.821 1.00 15.00 H new ATOM 0 HA TYR A 383 0.025 -1.697 0.319 1.00 15.00 H new ATOM 0 HB2 TYR A 383 1.900 0.527 1.113 1.00 15.00 H new ATOM 0 HB3 TYR A 383 2.105 -1.204 1.288 1.00 15.00 H new ATOM 0 HD1 TYR A 383 2.416 -2.582 -0.886 1.00 15.00 H new ATOM 0 HD2 TYR A 383 2.852 1.652 -0.752 1.00 15.00 H new ATOM 0 HE1 TYR A 383 3.701 -2.649 -2.975 1.00 15.00 H new ATOM 0 HE2 TYR A 383 4.120 1.588 -2.851 1.00 15.00 H new ATOM 0 HH TYR A 383 4.747 0.332 -4.591 1.00 15.00 H new ATOM 290 N VAL A 384 -1.159 -0.927 2.398 1.00 15.00 N ATOM 291 CA VAL A 384 -1.910 -0.463 3.563 1.00 15.00 C ATOM 292 C VAL A 384 -1.082 -0.557 4.840 1.00 15.00 C ATOM 293 O VAL A 384 -0.689 -1.644 5.254 1.00 15.00 O ATOM 294 CB VAL A 384 -3.228 -1.235 3.770 1.00 15.00 C ATOM 295 CG1 VAL A 384 -4.244 -0.797 2.757 1.00 15.00 C ATOM 296 CG2 VAL A 384 -3.023 -2.733 3.687 1.00 15.00 C ATOM 0 H VAL A 384 -1.137 -1.940 2.279 1.00 15.00 H new ATOM 0 HA VAL A 384 -2.149 0.580 3.356 1.00 15.00 H new ATOM 0 HB VAL A 384 -3.591 -1.007 4.772 1.00 15.00 H new ATOM 0 HG11 VAL A 384 -5.172 -1.348 2.911 1.00 15.00 H new ATOM 0 HG12 VAL A 384 -4.433 0.271 2.869 1.00 15.00 H new ATOM 0 HG13 VAL A 384 -3.866 -0.995 1.754 1.00 15.00 H new ATOM 0 HG21 VAL A 384 -3.976 -3.240 3.838 1.00 15.00 H new ATOM 0 HG22 VAL A 384 -2.626 -2.992 2.705 1.00 15.00 H new ATOM 0 HG23 VAL A 384 -2.319 -3.047 4.457 1.00 15.00 H new ATOM 306 N ASN A 385 -0.835 0.573 5.483 1.00 15.00 N ATOM 307 CA ASN A 385 0.002 0.590 6.670 1.00 15.00 C ATOM 308 C ASN A 385 -0.846 0.437 7.931 1.00 15.00 C ATOM 309 O ASN A 385 -1.723 1.254 8.171 1.00 15.00 O ATOM 310 CB ASN A 385 0.760 1.912 6.761 1.00 15.00 C ATOM 311 CG ASN A 385 1.687 1.959 7.959 1.00 15.00 C ATOM 312 OD1 ASN A 385 2.191 0.805 8.370 1.00 15.00 O flip ATOM 313 ND2 ASN A 385 1.955 3.016 8.506 1.00 15.00 N flip ATOM 0 H ASN A 385 -1.200 1.484 5.205 1.00 15.00 H new ATOM 0 HA ASN A 385 0.702 -0.242 6.595 1.00 15.00 H new ATOM 0 HB2 ASN A 385 1.339 2.060 5.850 1.00 15.00 H new ATOM 0 HB3 ASN A 385 0.047 2.734 6.823 1.00 15.00 H new ATOM 0 HD21 ASN A 385 1.548 3.886 8.162 1.00 15.00 H new ATOM 0 HD22 ASN A 385 2.586 3.030 9.307 1.00 15.00 H new ATOM 320 N HIS A 386 -0.569 -0.579 8.756 1.00 15.00 N ATOM 321 CA HIS A 386 -1.368 -0.810 9.965 1.00 15.00 C ATOM 322 C HIS A 386 -0.873 0.102 11.057 1.00 15.00 C ATOM 323 O HIS A 386 -1.504 0.297 12.090 1.00 15.00 O ATOM 324 CB HIS A 386 -1.317 -2.279 10.439 1.00 15.00 C ATOM 325 CG HIS A 386 -1.210 -3.250 9.312 1.00 15.00 C ATOM 326 ND1 HIS A 386 -1.410 -2.857 8.021 1.00 15.00 N ATOM 327 CD2 HIS A 386 -0.769 -4.526 9.248 1.00 15.00 C ATOM 328 CE1 HIS A 386 -1.078 -3.805 7.214 1.00 15.00 C ATOM 329 NE2 HIS A 386 -0.696 -4.847 7.919 1.00 15.00 N ATOM 0 H HIS A 386 0.190 -1.245 8.613 1.00 15.00 H new ATOM 0 HA HIS A 386 -2.409 -0.594 9.726 1.00 15.00 H new ATOM 0 HB2 HIS A 386 -0.466 -2.410 11.107 1.00 15.00 H new ATOM 0 HB3 HIS A 386 -2.214 -2.500 11.018 1.00 15.00 H new ATOM 0 HD2 HIS A 386 -0.523 -5.167 10.082 1.00 15.00 H new ATOM 0 HE1 HIS A 386 -1.108 -3.752 6.136 1.00 15.00 H new ATOM 0 HE2 HIS A 386 -0.395 -5.745 7.539 1.00 15.00 H new ATOM 338 N ASN A 387 0.292 0.635 10.797 1.00 15.00 N ATOM 339 CA ASN A 387 1.026 1.425 11.741 1.00 15.00 C ATOM 340 C ASN A 387 0.555 2.882 11.711 1.00 15.00 C ATOM 341 O ASN A 387 0.692 3.612 12.690 1.00 15.00 O ATOM 342 CB ASN A 387 2.494 1.289 11.359 1.00 15.00 C ATOM 343 CG ASN A 387 3.447 1.916 12.360 1.00 15.00 C ATOM 344 OD1 ASN A 387 3.761 3.103 12.280 1.00 15.00 O ATOM 345 ND2 ASN A 387 3.929 1.118 13.297 1.00 15.00 N ATOM 0 H ASN A 387 0.765 0.527 9.900 1.00 15.00 H new ATOM 0 HA ASN A 387 0.867 1.083 12.764 1.00 15.00 H new ATOM 0 HB2 ASN A 387 2.736 0.231 11.254 1.00 15.00 H new ATOM 0 HB3 ASN A 387 2.651 1.750 10.384 1.00 15.00 H new ATOM 0 HD21 ASN A 387 4.586 1.481 13.988 1.00 15.00 H new ATOM 0 HD22 ASN A 387 3.644 0.139 13.330 1.00 15.00 H new ATOM 352 N ASN A 388 0.007 3.293 10.569 1.00 15.00 N ATOM 353 CA ASN A 388 -0.527 4.649 10.402 1.00 15.00 C ATOM 354 C ASN A 388 -2.010 4.633 10.057 1.00 15.00 C ATOM 355 O ASN A 388 -2.671 5.668 10.116 1.00 15.00 O ATOM 356 CB ASN A 388 0.223 5.413 9.305 1.00 15.00 C ATOM 357 CG ASN A 388 1.472 6.111 9.804 1.00 15.00 C ATOM 358 OD1 ASN A 388 2.093 5.690 10.779 1.00 15.00 O ATOM 359 ND2 ASN A 388 1.850 7.186 9.128 1.00 15.00 N ATOM 0 H ASN A 388 -0.080 2.705 9.740 1.00 15.00 H new ATOM 0 HA ASN A 388 -0.388 5.153 11.358 1.00 15.00 H new ATOM 0 HB2 ASN A 388 0.497 4.718 8.511 1.00 15.00 H new ATOM 0 HB3 ASN A 388 -0.446 6.152 8.865 1.00 15.00 H new ATOM 0 HD21 ASN A 388 2.685 7.699 9.411 1.00 15.00 H new ATOM 0 HD22 ASN A 388 1.306 7.501 8.325 1.00 15.00 H new ATOM 366 N ARG A 389 -2.517 3.460 9.665 1.00 15.00 N ATOM 367 CA ARG A 389 -3.892 3.323 9.171 1.00 15.00 C ATOM 368 C ARG A 389 -4.049 4.084 7.861 1.00 15.00 C ATOM 369 O ARG A 389 -4.666 5.145 7.810 1.00 15.00 O ATOM 370 CB ARG A 389 -4.941 3.789 10.200 1.00 15.00 C ATOM 371 CG ARG A 389 -5.208 2.793 11.321 1.00 15.00 C ATOM 372 CD ARG A 389 -3.941 2.464 12.090 1.00 15.00 C ATOM 373 NE ARG A 389 -4.169 1.496 13.157 1.00 15.00 N ATOM 374 CZ ARG A 389 -3.514 1.501 14.317 1.00 15.00 C ATOM 375 NH1 ARG A 389 -2.630 2.458 14.590 1.00 15.00 N1+ ATOM 376 NH2 ARG A 389 -3.751 0.558 15.216 1.00 15.00 N ATOM 0 H ARG A 389 -1.992 2.586 9.680 1.00 15.00 H new ATOM 0 HA ARG A 389 -4.074 2.262 9.000 1.00 15.00 H new ATOM 0 HB2 ARG A 389 -4.609 4.730 10.638 1.00 15.00 H new ATOM 0 HB3 ARG A 389 -5.877 3.992 9.680 1.00 15.00 H new ATOM 0 HG2 ARG A 389 -5.952 3.203 12.003 1.00 15.00 H new ATOM 0 HG3 ARG A 389 -5.629 1.878 10.903 1.00 15.00 H new ATOM 0 HD2 ARG A 389 -3.194 2.071 11.401 1.00 15.00 H new ATOM 0 HD3 ARG A 389 -3.531 3.379 12.516 1.00 15.00 H new ATOM 0 HE ARG A 389 -4.872 0.772 13.006 1.00 15.00 H new ATOM 0 HH11 ARG A 389 -2.450 3.195 13.909 1.00 15.00 H new ATOM 0 HH12 ARG A 389 -2.133 2.454 15.481 1.00 15.00 H new ATOM 0 HH21 ARG A 389 -4.435 -0.173 15.020 1.00 15.00 H new ATOM 0 HH22 ARG A 389 -3.249 0.562 16.104 1.00 15.00 H new ATOM 390 N THR A 390 -3.428 3.567 6.807 1.00 15.00 N ATOM 391 CA THR A 390 -3.342 4.305 5.561 1.00 15.00 C ATOM 392 C THR A 390 -3.405 3.388 4.324 1.00 15.00 C ATOM 393 O THR A 390 -2.934 2.254 4.372 1.00 15.00 O ATOM 394 CB THR A 390 -2.021 5.113 5.552 1.00 15.00 C ATOM 395 OG1 THR A 390 -2.093 6.165 6.521 1.00 15.00 O ATOM 396 CG2 THR A 390 -1.684 5.687 4.179 1.00 15.00 C ATOM 0 H THR A 390 -2.982 2.650 6.793 1.00 15.00 H new ATOM 0 HA THR A 390 -4.203 4.971 5.503 1.00 15.00 H new ATOM 0 HB THR A 390 -1.219 4.421 5.808 1.00 15.00 H new ATOM 0 HG1 THR A 390 -1.255 6.674 6.515 1.00 15.00 H new ATOM 0 HG21 THR A 390 -0.748 6.242 4.237 1.00 15.00 H new ATOM 0 HG22 THR A 390 -1.580 4.874 3.460 1.00 15.00 H new ATOM 0 HG23 THR A 390 -2.483 6.355 3.858 1.00 15.00 H new ATOM 404 N THR A 391 -3.990 3.894 3.227 1.00 15.00 N ATOM 405 CA THR A 391 -4.007 3.209 1.946 1.00 15.00 C ATOM 406 C THR A 391 -3.354 4.124 0.902 1.00 15.00 C ATOM 407 O THR A 391 -3.814 5.250 0.697 1.00 15.00 O ATOM 408 CB THR A 391 -5.458 2.871 1.530 1.00 15.00 C ATOM 409 OG1 THR A 391 -5.514 2.553 0.143 1.00 15.00 O ATOM 410 CG2 THR A 391 -6.401 4.027 1.829 1.00 15.00 C ATOM 0 H THR A 391 -4.465 4.797 3.215 1.00 15.00 H new ATOM 0 HA THR A 391 -3.455 2.272 2.021 1.00 15.00 H new ATOM 0 HB THR A 391 -5.777 2.007 2.112 1.00 15.00 H new ATOM 0 HG1 THR A 391 -5.416 1.585 0.025 1.00 15.00 H new ATOM 0 HG21 THR A 391 -7.413 3.759 1.525 1.00 15.00 H new ATOM 0 HG22 THR A 391 -6.387 4.241 2.898 1.00 15.00 H new ATOM 0 HG23 THR A 391 -6.079 4.911 1.278 1.00 15.00 H new ATOM 418 N THR A 392 -2.262 3.691 0.274 1.00 15.00 N ATOM 419 CA THR A 392 -1.478 4.622 -0.516 1.00 15.00 C ATOM 420 C THR A 392 -0.757 3.967 -1.694 1.00 15.00 C ATOM 421 O THR A 392 -0.406 2.786 -1.642 1.00 15.00 O ATOM 422 CB THR A 392 -0.465 5.321 0.402 1.00 15.00 C ATOM 423 OG1 THR A 392 0.112 6.460 -0.251 1.00 15.00 O ATOM 424 CG2 THR A 392 0.638 4.366 0.846 1.00 15.00 C ATOM 0 H THR A 392 -1.913 2.733 0.297 1.00 15.00 H new ATOM 0 HA THR A 392 -2.171 5.342 -0.951 1.00 15.00 H new ATOM 0 HB THR A 392 -1.006 5.655 1.287 1.00 15.00 H new ATOM 0 HG1 THR A 392 1.078 6.477 -0.086 1.00 15.00 H new ATOM 0 HG21 THR A 392 1.337 4.894 1.494 1.00 15.00 H new ATOM 0 HG22 THR A 392 0.198 3.530 1.391 1.00 15.00 H new ATOM 0 HG23 THR A 392 1.168 3.990 -0.029 1.00 15.00 H new ATOM 432 N TRP A 393 -0.559 4.746 -2.762 1.00 15.00 N ATOM 433 CA TRP A 393 0.258 4.318 -3.896 1.00 15.00 C ATOM 434 C TRP A 393 1.737 4.394 -3.541 1.00 15.00 C ATOM 435 O TRP A 393 2.567 3.693 -4.119 1.00 15.00 O ATOM 436 CB TRP A 393 0.065 5.224 -5.125 1.00 15.00 C ATOM 437 CG TRP A 393 -1.316 5.306 -5.708 1.00 15.00 C ATOM 438 CD1 TRP A 393 -1.882 6.413 -6.274 1.00 15.00 C ATOM 439 CD2 TRP A 393 -2.289 4.264 -5.812 1.00 15.00 C ATOM 440 NE1 TRP A 393 -3.140 6.119 -6.734 1.00 15.00 N ATOM 441 CE2 TRP A 393 -3.414 4.808 -6.458 1.00 15.00 C ATOM 442 CE3 TRP A 393 -2.321 2.929 -5.427 1.00 15.00 C ATOM 443 CZ2 TRP A 393 -4.550 4.055 -6.726 1.00 15.00 C ATOM 444 CZ3 TRP A 393 -3.452 2.183 -5.690 1.00 15.00 C ATOM 445 CH2 TRP A 393 -4.553 2.748 -6.336 1.00 15.00 C ATOM 0 H TRP A 393 -0.956 5.680 -2.863 1.00 15.00 H new ATOM 0 HA TRP A 393 -0.056 3.300 -4.126 1.00 15.00 H new ATOM 0 HB2 TRP A 393 0.377 6.232 -4.853 1.00 15.00 H new ATOM 0 HB3 TRP A 393 0.742 4.881 -5.907 1.00 15.00 H new ATOM 0 HD1 TRP A 393 -1.407 7.380 -6.348 1.00 15.00 H new ATOM 0 HE1 TRP A 393 -3.768 6.771 -7.204 1.00 15.00 H new ATOM 0 HE3 TRP A 393 -1.473 2.482 -4.929 1.00 15.00 H new ATOM 0 HZ2 TRP A 393 -5.402 4.490 -7.227 1.00 15.00 H new ATOM 0 HZ3 TRP A 393 -3.486 1.146 -5.391 1.00 15.00 H new ATOM 0 HH2 TRP A 393 -5.423 2.139 -6.531 1.00 15.00 H new ATOM 456 N THR A 394 2.054 5.285 -2.615 1.00 15.00 N ATOM 457 CA THR A 394 3.430 5.704 -2.392 1.00 15.00 C ATOM 458 C THR A 394 4.278 4.621 -1.736 1.00 15.00 C ATOM 459 O THR A 394 3.791 3.828 -0.927 1.00 15.00 O ATOM 460 CB THR A 394 3.481 6.991 -1.544 1.00 15.00 C ATOM 461 OG1 THR A 394 2.839 6.788 -0.278 1.00 15.00 O ATOM 462 CG2 THR A 394 2.811 8.148 -2.273 1.00 15.00 C ATOM 0 H THR A 394 1.373 5.734 -2.002 1.00 15.00 H new ATOM 0 HA THR A 394 3.854 5.899 -3.377 1.00 15.00 H new ATOM 0 HB THR A 394 4.530 7.237 -1.378 1.00 15.00 H new ATOM 0 HG1 THR A 394 2.882 7.614 0.247 1.00 15.00 H new ATOM 0 HG21 THR A 394 2.860 9.044 -1.655 1.00 15.00 H new ATOM 0 HG22 THR A 394 3.325 8.330 -3.217 1.00 15.00 H new ATOM 0 HG23 THR A 394 1.768 7.899 -2.470 1.00 15.00 H new ATOM 470 N ARG A 395 5.554 4.591 -2.107 1.00 15.00 N ATOM 471 CA ARG A 395 6.510 3.682 -1.501 1.00 15.00 C ATOM 472 C ARG A 395 6.796 4.096 -0.066 1.00 15.00 C ATOM 473 O ARG A 395 7.210 5.224 0.205 1.00 15.00 O ATOM 474 CB ARG A 395 7.806 3.638 -2.308 1.00 15.00 C ATOM 475 CG ARG A 395 7.720 2.768 -3.550 1.00 15.00 C ATOM 476 CD ARG A 395 7.526 1.304 -3.187 1.00 15.00 C ATOM 477 NE ARG A 395 7.497 0.446 -4.372 1.00 15.00 N ATOM 478 CZ ARG A 395 7.755 -0.864 -4.358 1.00 15.00 C ATOM 479 NH1 ARG A 395 8.144 -1.461 -3.239 1.00 15.00 N1+ ATOM 480 NH2 ARG A 395 7.643 -1.580 -5.468 1.00 15.00 N ATOM 0 H ARG A 395 5.948 5.192 -2.830 1.00 15.00 H new ATOM 0 HA ARG A 395 6.075 2.682 -1.499 1.00 15.00 H new ATOM 0 HB2 ARG A 395 8.075 4.652 -2.603 1.00 15.00 H new ATOM 0 HB3 ARG A 395 8.609 3.268 -1.670 1.00 15.00 H new ATOM 0 HG2 ARG A 395 6.892 3.103 -4.174 1.00 15.00 H new ATOM 0 HG3 ARG A 395 8.630 2.881 -4.140 1.00 15.00 H new ATOM 0 HD2 ARG A 395 8.332 0.984 -2.527 1.00 15.00 H new ATOM 0 HD3 ARG A 395 6.595 1.188 -2.632 1.00 15.00 H new ATOM 0 HE ARG A 395 7.265 0.877 -5.267 1.00 15.00 H new ATOM 0 HH11 ARG A 395 8.248 -0.919 -2.381 1.00 15.00 H new ATOM 0 HH12 ARG A 395 8.339 -2.462 -3.236 1.00 15.00 H new ATOM 0 HH21 ARG A 395 7.359 -1.130 -6.338 1.00 15.00 H new ATOM 0 HH22 ARG A 395 7.841 -2.580 -5.452 1.00 15.00 H new ATOM 494 N PRO A 396 6.594 3.167 0.866 1.00 15.00 N ATOM 495 CA PRO A 396 6.671 3.437 2.302 1.00 15.00 C ATOM 496 C PRO A 396 8.083 3.725 2.797 1.00 15.00 C ATOM 497 O PRO A 396 9.011 2.941 2.585 1.00 15.00 O ATOM 498 CB PRO A 396 6.165 2.136 2.930 1.00 15.00 C ATOM 499 CG PRO A 396 5.467 1.418 1.825 1.00 15.00 C ATOM 500 CD PRO A 396 6.226 1.777 0.593 1.00 15.00 C ATOM 0 HA PRO A 396 6.099 4.328 2.561 1.00 15.00 H new ATOM 0 HB2 PRO A 396 6.989 1.543 3.327 1.00 15.00 H new ATOM 0 HB3 PRO A 396 5.488 2.336 3.760 1.00 15.00 H new ATOM 0 HG2 PRO A 396 5.470 0.341 1.991 1.00 15.00 H new ATOM 0 HG3 PRO A 396 4.424 1.726 1.750 1.00 15.00 H new ATOM 0 HD2 PRO A 396 7.101 1.142 0.451 1.00 15.00 H new ATOM 0 HD3 PRO A 396 5.616 1.684 -0.305 1.00 15.00 H new ATOM 508 N ILE A 397 8.215 4.850 3.488 1.00 15.00 N ATOM 509 CA ILE A 397 9.471 5.249 4.115 1.00 15.00 C ATOM 510 C ILE A 397 9.757 4.401 5.354 1.00 15.00 C ATOM 511 O ILE A 397 10.849 4.449 5.913 1.00 15.00 O ATOM 512 CB ILE A 397 9.480 6.749 4.515 1.00 15.00 C ATOM 513 CG1 ILE A 397 8.468 7.052 5.639 1.00 15.00 C ATOM 514 CG2 ILE A 397 9.209 7.619 3.295 1.00 15.00 C ATOM 515 CD1 ILE A 397 7.010 7.009 5.220 1.00 15.00 C ATOM 0 H ILE A 397 7.453 5.513 3.630 1.00 15.00 H new ATOM 0 HA ILE A 397 10.250 5.088 3.370 1.00 15.00 H new ATOM 0 HB ILE A 397 10.471 6.983 4.904 1.00 15.00 H new ATOM 0 HG12 ILE A 397 8.619 6.335 6.446 1.00 15.00 H new ATOM 0 HG13 ILE A 397 8.684 8.040 6.045 1.00 15.00 H new ATOM 0 HG21 ILE A 397 9.218 8.669 3.588 1.00 15.00 H new ATOM 0 HG22 ILE A 397 9.981 7.445 2.545 1.00 15.00 H new ATOM 0 HG23 ILE A 397 8.234 7.367 2.878 1.00 15.00 H new ATOM 0 HD11 ILE A 397 6.378 7.235 6.079 1.00 15.00 H new ATOM 0 HD12 ILE A 397 6.835 7.746 4.436 1.00 15.00 H new ATOM 0 HD13 ILE A 397 6.769 6.015 4.844 1.00 15.00 H new ATOM 527 N MET A 398 8.762 3.606 5.765 1.00 15.00 N ATOM 528 CA MET A 398 8.820 2.829 7.018 1.00 15.00 C ATOM 529 C MET A 398 9.808 1.732 7.015 1.00 15.00 C ATOM 530 O MET A 398 10.128 1.048 7.986 1.00 15.00 O ATOM 531 CB MET A 398 7.455 2.406 7.562 1.00 15.00 C ATOM 532 CG MET A 398 6.507 3.562 7.811 1.00 15.00 C ATOM 533 SD MET A 398 7.196 4.790 8.936 1.00 15.00 S ATOM 534 CE MET A 398 5.804 5.903 9.124 1.00 15.00 C ATOM 0 H MET A 398 7.895 3.480 5.243 1.00 15.00 H new ATOM 0 HA MET A 398 9.204 3.549 7.741 1.00 15.00 H new ATOM 0 HB2 MET A 398 6.992 1.715 6.857 1.00 15.00 H new ATOM 0 HB3 MET A 398 7.600 1.861 8.495 1.00 15.00 H new ATOM 0 HG2 MET A 398 6.264 4.039 6.862 1.00 15.00 H new ATOM 0 HG3 MET A 398 5.573 3.180 8.223 1.00 15.00 H new ATOM 0 HE1 MET A 398 6.077 6.718 9.795 1.00 15.00 H new ATOM 0 HE2 MET A 398 5.530 6.310 8.151 1.00 15.00 H new ATOM 0 HE3 MET A 398 4.957 5.359 9.541 1.00 15.00 H new ATOM 544 N GLN A 399 10.219 1.666 5.886 1.00 15.00 N ATOM 545 CA GLN A 399 11.070 0.615 5.341 1.00 15.00 C ATOM 546 C GLN A 399 12.421 0.607 6.054 1.00 15.00 C ATOM 547 O GLN A 399 12.714 -0.296 6.836 1.00 15.00 O ATOM 548 CB GLN A 399 11.273 0.835 3.839 1.00 15.00 C ATOM 549 CG GLN A 399 12.023 -0.295 3.151 1.00 15.00 C ATOM 550 CD GLN A 399 12.367 0.020 1.708 1.00 15.00 C ATOM 551 OE1 GLN A 399 13.363 -0.467 1.177 1.00 15.00 O ATOM 552 NE2 GLN A 399 11.550 0.839 1.062 1.00 15.00 N ATOM 0 H GLN A 399 9.991 2.377 5.191 1.00 15.00 H new ATOM 0 HA GLN A 399 10.584 -0.348 5.498 1.00 15.00 H new ATOM 0 HB2 GLN A 399 10.300 0.955 3.364 1.00 15.00 H new ATOM 0 HB3 GLN A 399 11.819 1.766 3.688 1.00 15.00 H new ATOM 0 HG2 GLN A 399 12.941 -0.504 3.701 1.00 15.00 H new ATOM 0 HG3 GLN A 399 11.418 -1.201 3.186 1.00 15.00 H new ATOM 0 HE21 GLN A 399 10.733 1.223 1.537 1.00 15.00 H new ATOM 0 HE22 GLN A 399 11.738 1.085 0.090 1.00 15.00 H new ATOM 561 N LEU A 400 13.217 1.637 5.799 1.00 15.00 N ATOM 562 CA LEU A 400 14.528 1.781 6.414 1.00 15.00 C ATOM 563 C LEU A 400 15.116 3.132 6.034 1.00 15.00 C ATOM 564 O LEU A 400 14.987 4.084 6.829 1.00 15.00 O ATOM 565 CB LEU A 400 15.468 0.651 5.972 1.00 15.00 C ATOM 566 CG LEU A 400 16.860 0.665 6.614 1.00 15.00 C ATOM 567 CD1 LEU A 400 16.757 0.516 8.124 1.00 15.00 C ATOM 568 CD2 LEU A 400 17.726 -0.441 6.028 1.00 15.00 C ATOM 569 OXT LEU A 400 15.672 3.243 4.921 1.00 15.00 O ATOM 0 H LEU A 400 12.972 2.394 5.161 1.00 15.00 H new ATOM 0 HA LEU A 400 14.418 1.722 7.497 1.00 15.00 H new ATOM 0 HB2 LEU A 400 14.992 -0.303 6.197 1.00 15.00 H new ATOM 0 HB3 LEU A 400 15.585 0.701 4.889 1.00 15.00 H new ATOM 0 HG LEU A 400 17.328 1.625 6.396 1.00 15.00 H new ATOM 0 HD11 LEU A 400 17.756 0.528 8.560 1.00 15.00 H new ATOM 0 HD12 LEU A 400 16.173 1.341 8.532 1.00 15.00 H new ATOM 0 HD13 LEU A 400 16.268 -0.428 8.364 1.00 15.00 H new ATOM 0 HD21 LEU A 400 18.711 -0.418 6.494 1.00 15.00 H new ATOM 0 HD22 LEU A 400 17.258 -1.407 6.216 1.00 15.00 H new ATOM 0 HD23 LEU A 400 17.830 -0.291 4.953 1.00 15.00 H new TER 581 LEU A 400 ATOM 582 N GLU B 178 -5.656 7.896 -13.132 1.00 15.00 N ATOM 583 CA GLU B 178 -5.600 6.918 -12.020 1.00 15.00 C ATOM 584 C GLU B 178 -6.921 6.899 -11.268 1.00 15.00 C ATOM 585 O GLU B 178 -7.352 7.938 -10.777 1.00 15.00 O ATOM 586 CB GLU B 178 -4.507 7.309 -11.014 1.00 15.00 C ATOM 587 CG GLU B 178 -3.235 7.852 -11.638 1.00 15.00 C ATOM 588 CD GLU B 178 -2.606 6.880 -12.595 1.00 15.00 C ATOM 589 OE1 GLU B 178 -1.802 6.038 -12.148 1.00 15.00 O1- ATOM 590 OE2 GLU B 178 -2.936 6.941 -13.796 1.00 15.00 O ATOM 0 HA GLU B 178 -5.388 5.940 -12.453 1.00 15.00 H new ATOM 0 HB2 GLU B 178 -4.910 8.059 -10.333 1.00 15.00 H new ATOM 0 HB3 GLU B 178 -4.256 6.435 -10.413 1.00 15.00 H new ATOM 0 HG2 GLU B 178 -3.459 8.781 -12.163 1.00 15.00 H new ATOM 0 HG3 GLU B 178 -2.522 8.095 -10.850 1.00 15.00 H new HETATM 599 N TPO B 179 -7.582 5.752 -11.168 1.00 15.00 N HETATM 600 CA TPO B 179 -8.628 5.642 -10.172 1.00 15.00 C HETATM 601 CB TPO B 179 -9.761 4.672 -10.593 1.00 15.00 C HETATM 602 CG2 TPO B 179 -10.530 5.213 -11.795 1.00 15.00 C HETATM 603 OG1 TPO B 179 -9.244 3.356 -10.871 1.00 15.00 O HETATM 604 P TPO B 179 -8.528 2.852 -12.247 1.00 15.00 P HETATM 605 O1P TPO B 179 -7.407 1.993 -11.866 1.00 15.00 O HETATM 606 O2P TPO B 179 -9.491 2.087 -13.033 1.00 15.00 O HETATM 607 O3P TPO B 179 -8.037 3.997 -13.018 1.00 15.00 O HETATM 608 C TPO B 179 -7.981 5.165 -8.874 1.00 15.00 C HETATM 609 O TPO B 179 -7.370 4.095 -8.826 1.00 15.00 O HETATM 0 HG23 TPO B 179 -10.973 6.176 -11.540 1.00 15.00 H new HETATM 0 HG22 TPO B 179 -9.849 5.338 -12.636 1.00 15.00 H new HETATM 0 HG21 TPO B 179 -11.319 4.512 -12.068 1.00 15.00 H new HETATM 0 HB TPO B 179 -10.454 4.593 -9.755 1.00 15.00 H new HETATM 0 HA TPO B 179 -9.097 6.618 -10.049 1.00 15.00 H new HETATM 0 H TPO B 179 -7.646 5.219 -12.035 1.00 15.00 H new ATOM 616 N PRO B 180 -8.080 5.983 -7.821 1.00 15.00 N ATOM 617 CA PRO B 180 -7.500 5.721 -6.506 1.00 15.00 C ATOM 618 C PRO B 180 -7.646 4.425 -5.764 1.00 15.00 C ATOM 619 O PRO B 180 -8.392 3.503 -6.102 1.00 15.00 O ATOM 620 CB PRO B 180 -8.157 6.822 -5.698 1.00 15.00 C ATOM 621 CG PRO B 180 -7.712 7.856 -6.569 1.00 15.00 C ATOM 622 CD PRO B 180 -8.386 7.429 -7.858 1.00 15.00 C ATOM 0 HA PRO B 180 -6.421 5.672 -6.654 1.00 15.00 H new ATOM 0 HB2 PRO B 180 -9.241 6.735 -5.631 1.00 15.00 H new ATOM 0 HB3 PRO B 180 -7.780 6.909 -4.679 1.00 15.00 H new ATOM 0 HG2 PRO B 180 -8.033 8.844 -6.239 1.00 15.00 H new ATOM 0 HG3 PRO B 180 -6.626 7.887 -6.658 1.00 15.00 H new ATOM 0 HD2 PRO B 180 -9.457 7.631 -7.858 1.00 15.00 H new ATOM 0 HD3 PRO B 180 -7.968 7.924 -8.734 1.00 15.00 H new ATOM 630 N PRO B 181 -6.835 4.438 -4.684 1.00 15.00 N ATOM 631 CA PRO B 181 -6.614 3.338 -3.753 1.00 15.00 C ATOM 632 C PRO B 181 -7.885 2.680 -3.221 1.00 15.00 C ATOM 633 O PRO B 181 -8.870 3.343 -2.892 1.00 15.00 O ATOM 634 CB PRO B 181 -5.860 4.006 -2.588 1.00 15.00 C ATOM 635 CG PRO B 181 -5.910 5.481 -2.844 1.00 15.00 C ATOM 636 CD PRO B 181 -6.046 5.641 -4.288 1.00 15.00 C ATOM 0 HA PRO B 181 -6.084 2.527 -4.252 1.00 15.00 H new ATOM 0 HB2 PRO B 181 -6.325 3.761 -1.633 1.00 15.00 H new ATOM 0 HB3 PRO B 181 -4.829 3.655 -2.540 1.00 15.00 H new ATOM 0 HG2 PRO B 181 -6.750 5.938 -2.321 1.00 15.00 H new ATOM 0 HG3 PRO B 181 -5.005 5.969 -2.482 1.00 15.00 H new ATOM 0 HD2 PRO B 181 -6.563 6.566 -4.545 1.00 15.00 H new ATOM 0 HD3 PRO B 181 -5.076 5.669 -4.784 1.00 15.00 H new ATOM 644 N PRO B 182 -7.831 1.350 -3.108 1.00 15.00 N ATOM 645 CA PRO B 182 -8.828 0.550 -2.396 1.00 15.00 C ATOM 646 C PRO B 182 -8.715 0.804 -0.893 1.00 15.00 C ATOM 647 O PRO B 182 -7.637 1.153 -0.416 1.00 15.00 O ATOM 648 CB PRO B 182 -8.451 -0.905 -2.730 1.00 15.00 C ATOM 649 CG PRO B 182 -7.431 -0.824 -3.822 1.00 15.00 C ATOM 650 CD PRO B 182 -6.772 0.511 -3.680 1.00 15.00 C ATOM 0 HA PRO B 182 -9.852 0.788 -2.683 1.00 15.00 H new ATOM 0 HB2 PRO B 182 -8.047 -1.414 -1.855 1.00 15.00 H new ATOM 0 HB3 PRO B 182 -9.325 -1.471 -3.053 1.00 15.00 H new ATOM 0 HG2 PRO B 182 -6.702 -1.629 -3.734 1.00 15.00 H new ATOM 0 HG3 PRO B 182 -7.900 -0.924 -4.801 1.00 15.00 H new ATOM 0 HD2 PRO B 182 -5.901 0.462 -3.027 1.00 15.00 H new ATOM 0 HD3 PRO B 182 -6.429 0.895 -4.641 1.00 15.00 H new ATOM 658 N GLY B 183 -9.827 0.682 -0.168 1.00 15.00 N ATOM 659 CA GLY B 183 -9.838 0.972 1.265 1.00 15.00 C ATOM 660 C GLY B 183 -8.704 0.307 2.038 1.00 15.00 C ATOM 661 O GLY B 183 -8.072 -0.634 1.559 1.00 15.00 O ATOM 0 H GLY B 183 -10.727 0.386 -0.547 1.00 15.00 H new ATOM 0 HA2 GLY B 183 -9.778 2.051 1.408 1.00 15.00 H new ATOM 0 HA3 GLY B 183 -10.790 0.647 1.684 1.00 15.00 H new ATOM 665 N TYR B 184 -8.484 0.755 3.267 1.00 15.00 N ATOM 666 CA TYR B 184 -7.292 0.369 4.011 1.00 15.00 C ATOM 667 C TYR B 184 -7.519 -0.912 4.831 1.00 15.00 C ATOM 668 O TYR B 184 -8.532 -1.050 5.519 1.00 15.00 O ATOM 669 CB TYR B 184 -6.829 1.532 4.914 1.00 15.00 C ATOM 670 CG TYR B 184 -6.140 1.087 6.182 1.00 15.00 C ATOM 671 CD1 TYR B 184 -4.859 0.559 6.154 1.00 15.00 C ATOM 672 CD2 TYR B 184 -6.784 1.184 7.411 1.00 15.00 C ATOM 673 CE1 TYR B 184 -4.237 0.143 7.309 1.00 15.00 C ATOM 674 CE2 TYR B 184 -6.166 0.770 8.573 1.00 15.00 C ATOM 675 CZ TYR B 184 -4.892 0.250 8.516 1.00 15.00 C ATOM 676 OH TYR B 184 -4.261 -0.157 9.667 1.00 15.00 O ATOM 0 H TYR B 184 -9.112 1.383 3.768 1.00 15.00 H new ATOM 0 HA TYR B 184 -6.504 0.149 3.291 1.00 15.00 H new ATOM 0 HB2 TYR B 184 -6.150 2.170 4.348 1.00 15.00 H new ATOM 0 HB3 TYR B 184 -7.694 2.141 5.177 1.00 15.00 H new ATOM 0 HD1 TYR B 184 -4.340 0.473 5.211 1.00 15.00 H new ATOM 0 HD2 TYR B 184 -7.784 1.590 7.456 1.00 15.00 H new ATOM 0 HE1 TYR B 184 -3.238 -0.266 7.269 1.00 15.00 H new ATOM 0 HE2 TYR B 184 -6.678 0.853 9.520 1.00 15.00 H new ATOM 0 HH TYR B 184 -4.919 -0.244 10.388 1.00 15.00 H new ATOM 686 N LEU B 185 -6.540 -1.831 4.757 1.00 15.00 N ATOM 687 CA LEU B 185 -6.607 -3.139 5.399 1.00 15.00 C ATOM 688 C LEU B 185 -7.814 -3.943 4.987 1.00 15.00 C ATOM 689 O LEU B 185 -8.785 -4.103 5.729 1.00 15.00 O ATOM 690 CB LEU B 185 -6.443 -3.087 6.914 1.00 15.00 C ATOM 691 CG LEU B 185 -5.004 -3.216 7.384 1.00 15.00 C ATOM 692 CD1 LEU B 185 -4.933 -3.216 8.901 1.00 15.00 C ATOM 693 CD2 LEU B 185 -4.382 -4.484 6.819 1.00 15.00 C ATOM 0 H LEU B 185 -5.673 -1.676 4.242 1.00 15.00 H new ATOM 0 HA LEU B 185 -5.736 -3.674 5.022 1.00 15.00 H new ATOM 0 HB2 LEU B 185 -6.852 -2.146 7.281 1.00 15.00 H new ATOM 0 HB3 LEU B 185 -7.034 -3.887 7.361 1.00 15.00 H new ATOM 0 HG LEU B 185 -4.440 -2.357 7.019 1.00 15.00 H new ATOM 0 HD11 LEU B 185 -3.894 -3.309 9.217 1.00 15.00 H new ATOM 0 HD12 LEU B 185 -5.346 -2.283 9.285 1.00 15.00 H new ATOM 0 HD13 LEU B 185 -5.508 -4.056 9.292 1.00 15.00 H new ATOM 0 HD21 LEU B 185 -3.351 -4.567 7.162 1.00 15.00 H new ATOM 0 HD22 LEU B 185 -4.949 -5.350 7.160 1.00 15.00 H new ATOM 0 HD23 LEU B 185 -4.400 -4.444 5.730 1.00 15.00 H new ATOM 705 N SER B 186 -7.754 -4.364 3.751 1.00 15.00 N ATOM 706 CA SER B 186 -8.608 -5.389 3.232 1.00 15.00 C ATOM 707 C SER B 186 -7.819 -6.101 2.157 1.00 15.00 C ATOM 708 O SER B 186 -7.714 -5.624 1.031 1.00 15.00 O ATOM 709 CB SER B 186 -9.888 -4.777 2.666 1.00 15.00 C ATOM 710 OG SER B 186 -10.627 -5.715 1.896 1.00 15.00 O ATOM 0 H SER B 186 -7.095 -3.994 3.066 1.00 15.00 H new ATOM 0 HA SER B 186 -8.912 -6.088 4.011 1.00 15.00 H new ATOM 0 HB2 SER B 186 -10.508 -4.410 3.484 1.00 15.00 H new ATOM 0 HB3 SER B 186 -9.636 -3.916 2.046 1.00 15.00 H new ATOM 0 HG SER B 186 -11.439 -5.288 1.552 1.00 15.00 H new ATOM 716 N GLU B 187 -7.252 -7.234 2.520 1.00 15.00 N ATOM 717 CA GLU B 187 -6.308 -7.924 1.663 1.00 15.00 C ATOM 718 C GLU B 187 -6.757 -9.348 1.406 1.00 15.00 C ATOM 719 O GLU B 187 -6.666 -10.217 2.274 1.00 15.00 O ATOM 720 CB GLU B 187 -4.888 -7.876 2.268 1.00 15.00 C ATOM 721 CG GLU B 187 -4.065 -6.676 1.828 1.00 15.00 C ATOM 722 CD GLU B 187 -4.752 -5.341 2.056 1.00 15.00 C ATOM 723 OE1 GLU B 187 -5.036 -5.007 3.228 1.00 15.00 O ATOM 724 OE2 GLU B 187 -5.007 -4.617 1.062 1.00 15.00 O1- ATOM 0 H GLU B 187 -7.430 -7.700 3.410 1.00 15.00 H new ATOM 0 HA GLU B 187 -6.275 -7.412 0.701 1.00 15.00 H new ATOM 0 HB2 GLU B 187 -4.968 -7.869 3.355 1.00 15.00 H new ATOM 0 HB3 GLU B 187 -4.357 -8.787 1.993 1.00 15.00 H new ATOM 0 HG2 GLU B 187 -3.117 -6.682 2.365 1.00 15.00 H new ATOM 0 HG3 GLU B 187 -3.832 -6.777 0.768 1.00 15.00 H new ATOM 731 N ASP B 188 -7.286 -9.561 0.213 1.00 15.00 N ATOM 732 CA ASP B 188 -7.828 -10.855 -0.170 1.00 15.00 C ATOM 733 C ASP B 188 -7.147 -11.390 -1.425 1.00 15.00 C ATOM 734 O ASP B 188 -7.274 -12.570 -1.753 1.00 15.00 O ATOM 735 CB ASP B 188 -9.333 -10.732 -0.417 1.00 15.00 C ATOM 736 CG ASP B 188 -9.651 -9.793 -1.566 1.00 15.00 C ATOM 737 OD1 ASP B 188 -9.508 -8.565 -1.395 1.00 15.00 O ATOM 738 OD2 ASP B 188 -10.042 -10.282 -2.647 1.00 15.00 O1- ATOM 0 H ASP B 188 -7.352 -8.848 -0.513 1.00 15.00 H new ATOM 0 HA ASP B 188 -7.642 -11.555 0.645 1.00 15.00 H new ATOM 0 HB2 ASP B 188 -9.746 -11.718 -0.631 1.00 15.00 H new ATOM 0 HB3 ASP B 188 -9.820 -10.372 0.489 1.00 15.00 H new ATOM 743 N GLY B 189 -6.439 -10.520 -2.133 1.00 15.00 N ATOM 744 CA GLY B 189 -5.800 -10.922 -3.368 1.00 15.00 C ATOM 745 C GLY B 189 -5.286 -9.732 -4.149 1.00 15.00 C ATOM 746 O GLY B 189 -5.816 -8.621 -3.952 1.00 15.00 O ATOM 747 OXT GLY B 189 -4.362 -9.905 -4.969 1.00 15.00 O ATOM 0 H GLY B 189 -6.297 -9.544 -1.873 1.00 15.00 H new ATOM 0 HA2 GLY B 189 -4.973 -11.596 -3.146 1.00 15.00 H new ATOM 0 HA3 GLY B 189 -6.510 -11.479 -3.980 1.00 15.00 H new TER 751 GLY B 189