USER MOD reduce.3.24.130724 H: found=0, std=0, add=287, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 287 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 392 THR OG1 : rot 180:sc= 0.486 USER MOD Set 1.2: A 394 THR OG1 : rot 85:sc= 0.142 USER MOD Single : A 369 SER OG : rot 180:sc= 0 USER MOD Single : A 375 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 378 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00634) USER MOD Single : A 381 THR OG1 : rot 18:sc= -0.0144 USER MOD Single : A 382 TYR OH : rot 58:sc= 1.3 USER MOD Single : A 383 TYR OH : rot 180:sc= 0 USER MOD Single : A 385 ASN :FLIP amide:sc= -9.67! C(o=-10!,f=-9.7!) USER MOD Single : A 386 HIS : no HD1:sc= -5.81! C(o=-5.8!,f=-11!) USER MOD Single : A 387 ASN :FLIP amide:sc=-0.00153 F(o=-0.92,f=-0.0015) USER MOD Single : A 388 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 390 THR OG1 : rot 180:sc= 0 USER MOD Single : A 391 THR OG1 : rot 90:sc= 0.869 USER MOD Single : B 184 TYR OH : rot 180:sc= -2.17! USER MOD Single : B 186 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 27 N PRO A 368 8.343 -3.077 3.048 1.00 15.00 N ATOM 28 CA PRO A 368 8.446 -2.967 4.486 1.00 15.00 C ATOM 29 C PRO A 368 7.388 -3.814 5.189 1.00 15.00 C ATOM 30 O PRO A 368 6.188 -3.711 4.916 1.00 15.00 O ATOM 31 CB PRO A 368 8.170 -1.487 4.728 1.00 15.00 C ATOM 32 CG PRO A 368 7.186 -1.140 3.675 1.00 15.00 C ATOM 33 CD PRO A 368 7.558 -1.980 2.481 1.00 15.00 C ATOM 0 HA PRO A 368 9.407 -3.312 4.868 1.00 15.00 H new ATOM 0 HB2 PRO A 368 7.768 -1.312 5.726 1.00 15.00 H new ATOM 0 HB3 PRO A 368 9.078 -0.890 4.641 1.00 15.00 H new ATOM 0 HG2 PRO A 368 6.169 -1.354 4.003 1.00 15.00 H new ATOM 0 HG3 PRO A 368 7.227 -0.078 3.435 1.00 15.00 H new ATOM 0 HD2 PRO A 368 6.673 -2.349 1.962 1.00 15.00 H new ATOM 0 HD3 PRO A 368 8.137 -1.408 1.756 1.00 15.00 H new ATOM 41 N SER A 369 7.848 -4.641 6.096 1.00 15.00 N ATOM 42 CA SER A 369 6.984 -5.556 6.819 1.00 15.00 C ATOM 43 C SER A 369 6.082 -4.784 7.783 1.00 15.00 C ATOM 44 O SER A 369 6.576 -4.064 8.655 1.00 15.00 O ATOM 45 CB SER A 369 7.845 -6.524 7.617 1.00 15.00 C ATOM 46 OG SER A 369 8.878 -7.071 6.813 1.00 15.00 O ATOM 0 H SER A 369 8.832 -4.702 6.357 1.00 15.00 H new ATOM 0 HA SER A 369 6.363 -6.098 6.106 1.00 15.00 H new ATOM 0 HB2 SER A 369 8.281 -6.008 8.472 1.00 15.00 H new ATOM 0 HB3 SER A 369 7.223 -7.327 8.012 1.00 15.00 H new ATOM 0 HG SER A 369 9.418 -7.688 7.349 1.00 15.00 H new ATOM 52 N GLY A 370 4.770 -4.915 7.623 1.00 15.00 N ATOM 53 CA GLY A 370 3.853 -4.203 8.476 1.00 15.00 C ATOM 54 C GLY A 370 2.694 -3.681 7.676 1.00 15.00 C ATOM 55 O GLY A 370 1.655 -3.313 8.217 1.00 15.00 O ATOM 0 H GLY A 370 4.330 -5.504 6.915 1.00 15.00 H new ATOM 0 HA2 GLY A 370 3.491 -4.864 9.264 1.00 15.00 H new ATOM 0 HA3 GLY A 370 4.368 -3.376 8.965 1.00 15.00 H new ATOM 59 N TRP A 371 2.916 -3.567 6.380 1.00 15.00 N ATOM 60 CA TRP A 371 1.867 -3.304 5.443 1.00 15.00 C ATOM 61 C TRP A 371 1.609 -4.544 4.613 1.00 15.00 C ATOM 62 O TRP A 371 2.524 -5.334 4.384 1.00 15.00 O ATOM 63 CB TRP A 371 2.292 -2.201 4.494 1.00 15.00 C ATOM 64 CG TRP A 371 2.926 -1.007 5.136 1.00 15.00 C ATOM 65 CD1 TRP A 371 3.625 -0.936 6.296 1.00 15.00 C ATOM 66 CD2 TRP A 371 2.907 0.299 4.610 1.00 15.00 C ATOM 67 NE1 TRP A 371 4.054 0.339 6.508 1.00 15.00 N ATOM 68 CE2 TRP A 371 3.616 1.129 5.479 1.00 15.00 C ATOM 69 CE3 TRP A 371 2.343 0.821 3.479 1.00 15.00 C ATOM 70 CZ2 TRP A 371 3.775 2.493 5.236 1.00 15.00 C ATOM 71 CZ3 TRP A 371 2.485 2.174 3.221 1.00 15.00 C ATOM 72 CH2 TRP A 371 3.197 2.998 4.101 1.00 15.00 C ATOM 0 H TRP A 371 3.839 -3.657 5.956 1.00 15.00 H new ATOM 0 HA TRP A 371 0.973 -3.012 5.994 1.00 15.00 H new ATOM 0 HB2 TRP A 371 2.993 -2.618 3.771 1.00 15.00 H new ATOM 0 HB3 TRP A 371 1.417 -1.869 3.935 1.00 15.00 H new ATOM 0 HD1 TRP A 371 3.814 -1.770 6.956 1.00 15.00 H new ATOM 0 HE1 TRP A 371 4.610 0.654 7.303 1.00 15.00 H new ATOM 0 HE3 TRP A 371 1.795 0.188 2.797 1.00 15.00 H new ATOM 0 HZ2 TRP A 371 4.330 3.125 5.914 1.00 15.00 H new ATOM 0 HZ3 TRP A 371 2.042 2.598 2.332 1.00 15.00 H new ATOM 0 HH2 TRP A 371 3.292 4.051 3.881 1.00 15.00 H new ATOM 83 N GLU A 372 0.392 -4.703 4.126 1.00 15.00 N ATOM 84 CA GLU A 372 0.150 -5.743 3.155 1.00 15.00 C ATOM 85 C GLU A 372 0.166 -5.109 1.776 1.00 15.00 C ATOM 86 O GLU A 372 -0.404 -4.036 1.587 1.00 15.00 O ATOM 87 CB GLU A 372 -1.177 -6.493 3.385 1.00 15.00 C ATOM 88 CG GLU A 372 -1.439 -6.883 4.829 1.00 15.00 C ATOM 89 CD GLU A 372 -0.257 -7.570 5.485 1.00 15.00 C ATOM 90 OE1 GLU A 372 0.059 -8.717 5.114 1.00 15.00 O1- ATOM 91 OE2 GLU A 372 0.363 -6.957 6.381 1.00 15.00 O ATOM 0 H GLU A 372 -0.420 -4.141 4.380 1.00 15.00 H new ATOM 0 HA GLU A 372 0.935 -6.493 3.255 1.00 15.00 H new ATOM 0 HB2 GLU A 372 -1.998 -5.867 3.036 1.00 15.00 H new ATOM 0 HB3 GLU A 372 -1.181 -7.394 2.772 1.00 15.00 H new ATOM 0 HG2 GLU A 372 -1.695 -5.990 5.399 1.00 15.00 H new ATOM 0 HG3 GLU A 372 -2.304 -7.545 4.869 1.00 15.00 H new ATOM 98 N GLU A 373 0.830 -5.732 0.821 1.00 15.00 N ATOM 99 CA GLU A 373 0.904 -5.151 -0.505 1.00 15.00 C ATOM 100 C GLU A 373 -0.123 -5.761 -1.430 1.00 15.00 C ATOM 101 O GLU A 373 -0.488 -6.930 -1.298 1.00 15.00 O ATOM 102 CB GLU A 373 2.308 -5.267 -1.106 1.00 15.00 C ATOM 103 CG GLU A 373 2.913 -6.670 -1.102 1.00 15.00 C ATOM 104 CD GLU A 373 2.379 -7.562 -2.212 1.00 15.00 C ATOM 105 OE1 GLU A 373 2.505 -7.189 -3.399 1.00 15.00 O ATOM 106 OE2 GLU A 373 1.845 -8.651 -1.903 1.00 15.00 O1- ATOM 0 H GLU A 373 1.316 -6.621 0.934 1.00 15.00 H new ATOM 0 HA GLU A 373 0.680 -4.090 -0.397 1.00 15.00 H new ATOM 0 HB2 GLU A 373 2.274 -4.908 -2.135 1.00 15.00 H new ATOM 0 HB3 GLU A 373 2.975 -4.601 -0.558 1.00 15.00 H new ATOM 0 HG2 GLU A 373 3.996 -6.591 -1.199 1.00 15.00 H new ATOM 0 HG3 GLU A 373 2.713 -7.141 -0.140 1.00 15.00 H new ATOM 113 N ARG A 374 -0.564 -4.963 -2.376 1.00 15.00 N ATOM 114 CA ARG A 374 -1.534 -5.405 -3.365 1.00 15.00 C ATOM 115 C ARG A 374 -1.299 -4.708 -4.696 1.00 15.00 C ATOM 116 O ARG A 374 -1.469 -3.493 -4.820 1.00 15.00 O ATOM 117 CB ARG A 374 -2.982 -5.182 -2.907 1.00 15.00 C ATOM 118 CG ARG A 374 -3.504 -6.272 -1.983 1.00 15.00 C ATOM 119 CD ARG A 374 -5.015 -6.422 -2.091 1.00 15.00 C ATOM 120 NE ARG A 374 -5.737 -5.261 -1.581 1.00 15.00 N ATOM 121 CZ ARG A 374 -6.877 -4.802 -2.101 1.00 15.00 C ATOM 122 NH1 ARG A 374 -7.419 -5.404 -3.154 1.00 15.00 N1+ ATOM 123 NH2 ARG A 374 -7.477 -3.747 -1.564 1.00 15.00 N ATOM 0 H ARG A 374 -0.265 -3.994 -2.486 1.00 15.00 H new ATOM 0 HA ARG A 374 -1.390 -6.479 -3.487 1.00 15.00 H new ATOM 0 HB2 ARG A 374 -3.049 -4.222 -2.396 1.00 15.00 H new ATOM 0 HB3 ARG A 374 -3.626 -5.122 -3.784 1.00 15.00 H new ATOM 0 HG2 ARG A 374 -3.025 -7.219 -2.230 1.00 15.00 H new ATOM 0 HG3 ARG A 374 -3.234 -6.037 -0.953 1.00 15.00 H new ATOM 0 HD2 ARG A 374 -5.286 -6.583 -3.135 1.00 15.00 H new ATOM 0 HD3 ARG A 374 -5.328 -7.309 -1.540 1.00 15.00 H new ATOM 0 HE ARG A 374 -5.346 -4.770 -0.777 1.00 15.00 H new ATOM 0 HH11 ARG A 374 -6.964 -6.218 -3.566 1.00 15.00 H new ATOM 0 HH12 ARG A 374 -8.290 -5.052 -3.550 1.00 15.00 H new ATOM 0 HH21 ARG A 374 -7.067 -3.285 -0.752 1.00 15.00 H new ATOM 0 HH22 ARG A 374 -8.348 -3.398 -1.963 1.00 15.00 H new ATOM 137 N LYS A 375 -0.867 -5.480 -5.677 1.00 15.00 N ATOM 138 CA LYS A 375 -0.730 -4.996 -7.033 1.00 15.00 C ATOM 139 C LYS A 375 -2.019 -5.295 -7.795 1.00 15.00 C ATOM 140 O LYS A 375 -2.288 -6.448 -8.141 1.00 15.00 O ATOM 141 CB LYS A 375 0.479 -5.666 -7.694 1.00 15.00 C ATOM 142 CG LYS A 375 0.727 -5.259 -9.137 1.00 15.00 C ATOM 143 CD LYS A 375 2.054 -5.813 -9.633 1.00 15.00 C ATOM 144 CE LYS A 375 2.138 -7.325 -9.447 1.00 15.00 C ATOM 145 NZ LYS A 375 3.457 -7.870 -9.864 1.00 15.00 N1+ ATOM 0 H LYS A 375 -0.603 -6.457 -5.554 1.00 15.00 H new ATOM 0 HA LYS A 375 -0.563 -3.919 -7.041 1.00 15.00 H new ATOM 0 HB2 LYS A 375 1.369 -5.435 -7.109 1.00 15.00 H new ATOM 0 HB3 LYS A 375 0.343 -6.747 -7.655 1.00 15.00 H new ATOM 0 HG2 LYS A 375 -0.084 -5.625 -9.767 1.00 15.00 H new ATOM 0 HG3 LYS A 375 0.728 -4.172 -9.218 1.00 15.00 H new ATOM 0 HD2 LYS A 375 2.179 -5.568 -10.688 1.00 15.00 H new ATOM 0 HD3 LYS A 375 2.872 -5.334 -9.095 1.00 15.00 H new ATOM 0 HE2 LYS A 375 1.960 -7.571 -8.400 1.00 15.00 H new ATOM 0 HE3 LYS A 375 1.349 -7.805 -10.026 1.00 15.00 H new ATOM 0 HZ1 LYS A 375 3.468 -8.900 -9.720 1.00 15.00 H new ATOM 0 HZ2 LYS A 375 3.617 -7.659 -10.870 1.00 15.00 H new ATOM 0 HZ3 LYS A 375 4.209 -7.433 -9.294 1.00 15.00 H new ATOM 159 N ASP A 376 -2.837 -4.272 -8.016 1.00 15.00 N ATOM 160 CA ASP A 376 -4.165 -4.479 -8.574 1.00 15.00 C ATOM 161 C ASP A 376 -4.113 -4.414 -10.098 1.00 15.00 C ATOM 162 O ASP A 376 -3.458 -3.532 -10.665 1.00 15.00 O ATOM 163 CB ASP A 376 -5.134 -3.425 -8.036 1.00 15.00 C ATOM 164 CG ASP A 376 -6.586 -3.814 -8.226 1.00 15.00 C ATOM 165 OD1 ASP A 376 -7.007 -4.032 -9.380 1.00 15.00 O1- ATOM 166 OD2 ASP A 376 -7.312 -3.908 -7.215 1.00 15.00 O ATOM 0 H ASP A 376 -2.605 -3.299 -7.819 1.00 15.00 H new ATOM 0 HA ASP A 376 -4.519 -5.466 -8.277 1.00 15.00 H new ATOM 0 HB2 ASP A 376 -4.940 -3.267 -6.975 1.00 15.00 H new ATOM 0 HB3 ASP A 376 -4.948 -2.476 -8.539 1.00 15.00 H new ATOM 171 N ALA A 377 -4.851 -5.311 -10.755 1.00 15.00 N ATOM 172 CA ALA A 377 -4.808 -5.445 -12.206 1.00 15.00 C ATOM 173 C ALA A 377 -5.469 -4.258 -12.906 1.00 15.00 C ATOM 174 O ALA A 377 -5.481 -4.179 -14.135 1.00 15.00 O ATOM 175 CB ALA A 377 -5.469 -6.748 -12.627 1.00 15.00 C ATOM 0 H ALA A 377 -5.491 -5.960 -10.296 1.00 15.00 H new ATOM 0 HA ALA A 377 -3.761 -5.459 -12.510 1.00 15.00 H new ATOM 0 HB1 ALA A 377 -5.433 -6.840 -13.712 1.00 15.00 H new ATOM 0 HB2 ALA A 377 -4.941 -7.587 -12.174 1.00 15.00 H new ATOM 0 HB3 ALA A 377 -6.508 -6.752 -12.297 1.00 15.00 H new ATOM 181 N LYS A 378 -6.021 -3.337 -12.124 1.00 15.00 N ATOM 182 CA LYS A 378 -6.589 -2.116 -12.678 1.00 15.00 C ATOM 183 C LYS A 378 -5.486 -1.099 -12.990 1.00 15.00 C ATOM 184 O LYS A 378 -5.761 0.020 -13.419 1.00 15.00 O ATOM 185 CB LYS A 378 -7.649 -1.530 -11.732 1.00 15.00 C ATOM 186 CG LYS A 378 -7.132 -1.051 -10.382 1.00 15.00 C ATOM 187 CD LYS A 378 -8.288 -0.868 -9.406 1.00 15.00 C ATOM 188 CE LYS A 378 -7.847 -0.243 -8.091 1.00 15.00 C ATOM 189 NZ LYS A 378 -7.553 1.209 -8.235 1.00 15.00 N1+ ATOM 0 H LYS A 378 -6.087 -3.413 -11.109 1.00 15.00 H new ATOM 0 HA LYS A 378 -7.087 -2.361 -13.616 1.00 15.00 H new ATOM 0 HB2 LYS A 378 -8.134 -0.693 -12.233 1.00 15.00 H new ATOM 0 HB3 LYS A 378 -8.415 -2.286 -11.560 1.00 15.00 H new ATOM 0 HG2 LYS A 378 -6.420 -1.772 -9.981 1.00 15.00 H new ATOM 0 HG3 LYS A 378 -6.597 -0.109 -10.503 1.00 15.00 H new ATOM 0 HD2 LYS A 378 -9.051 -0.240 -9.865 1.00 15.00 H new ATOM 0 HD3 LYS A 378 -8.749 -1.836 -9.208 1.00 15.00 H new ATOM 0 HE2 LYS A 378 -8.628 -0.382 -7.343 1.00 15.00 H new ATOM 0 HE3 LYS A 378 -6.959 -0.758 -7.724 1.00 15.00 H new ATOM 0 HZ1 LYS A 378 -7.305 1.607 -7.307 1.00 15.00 H new ATOM 0 HZ2 LYS A 378 -6.756 1.339 -8.891 1.00 15.00 H new ATOM 0 HZ3 LYS A 378 -8.392 1.698 -8.608 1.00 15.00 H new ATOM 203 N GLY A 379 -4.235 -1.512 -12.795 1.00 15.00 N ATOM 204 CA GLY A 379 -3.103 -0.683 -13.171 1.00 15.00 C ATOM 205 C GLY A 379 -2.650 0.233 -12.057 1.00 15.00 C ATOM 206 O GLY A 379 -2.033 1.268 -12.308 1.00 15.00 O ATOM 0 H GLY A 379 -3.986 -2.410 -12.381 1.00 15.00 H new ATOM 0 HA2 GLY A 379 -2.273 -1.324 -13.468 1.00 15.00 H new ATOM 0 HA3 GLY A 379 -3.371 -0.084 -14.041 1.00 15.00 H new ATOM 210 N ARG A 380 -2.937 -0.157 -10.826 1.00 15.00 N ATOM 211 CA ARG A 380 -2.596 0.656 -9.668 1.00 15.00 C ATOM 212 C ARG A 380 -2.274 -0.231 -8.463 1.00 15.00 C ATOM 213 O ARG A 380 -3.145 -0.929 -7.944 1.00 15.00 O ATOM 214 CB ARG A 380 -3.747 1.626 -9.343 1.00 15.00 C ATOM 215 CG ARG A 380 -3.660 2.970 -10.067 1.00 15.00 C ATOM 216 CD ARG A 380 -4.952 3.776 -9.923 1.00 15.00 C ATOM 217 NE ARG A 380 -6.026 3.260 -10.778 1.00 15.00 N ATOM 218 CZ ARG A 380 -6.012 3.272 -12.116 1.00 15.00 C ATOM 219 NH1 ARG A 380 -4.981 3.770 -12.788 1.00 15.00 N1+ ATOM 220 NH2 ARG A 380 -7.040 2.779 -12.786 1.00 15.00 N ATOM 0 H ARG A 380 -3.407 -1.034 -10.601 1.00 15.00 H new ATOM 0 HA ARG A 380 -1.707 1.242 -9.902 1.00 15.00 H new ATOM 0 HB2 ARG A 380 -4.693 1.149 -9.600 1.00 15.00 H new ATOM 0 HB3 ARG A 380 -3.763 1.806 -8.268 1.00 15.00 H new ATOM 0 HG2 ARG A 380 -2.826 3.546 -9.666 1.00 15.00 H new ATOM 0 HG3 ARG A 380 -3.452 2.801 -11.124 1.00 15.00 H new ATOM 0 HD2 ARG A 380 -5.277 3.756 -8.883 1.00 15.00 H new ATOM 0 HD3 ARG A 380 -4.758 4.818 -10.176 1.00 15.00 H new ATOM 0 HE ARG A 380 -6.845 2.862 -10.318 1.00 15.00 H new ATOM 0 HH11 ARG A 380 -4.181 4.152 -12.284 1.00 15.00 H new ATOM 0 HH12 ARG A 380 -4.989 3.770 -13.808 1.00 15.00 H new ATOM 0 HH21 ARG A 380 -7.838 2.392 -12.283 1.00 15.00 H new ATOM 0 HH22 ARG A 380 -7.034 2.786 -13.806 1.00 15.00 H new ATOM 234 N THR A 381 -1.016 -0.224 -8.041 1.00 15.00 N ATOM 235 CA THR A 381 -0.594 -0.994 -6.881 1.00 15.00 C ATOM 236 C THR A 381 -0.492 -0.081 -5.661 1.00 15.00 C ATOM 237 O THR A 381 -0.096 1.077 -5.781 1.00 15.00 O ATOM 238 CB THR A 381 0.761 -1.696 -7.139 1.00 15.00 C ATOM 239 OG1 THR A 381 1.071 -2.586 -6.061 1.00 15.00 O ATOM 240 CG2 THR A 381 1.894 -0.689 -7.306 1.00 15.00 C ATOM 0 H THR A 381 -0.269 0.308 -8.487 1.00 15.00 H new ATOM 0 HA THR A 381 -1.341 -1.765 -6.692 1.00 15.00 H new ATOM 0 HB THR A 381 0.665 -2.260 -8.067 1.00 15.00 H new ATOM 0 HG1 THR A 381 0.256 -2.779 -5.552 1.00 15.00 H new ATOM 0 HG21 THR A 381 2.829 -1.220 -7.485 1.00 15.00 H new ATOM 0 HG22 THR A 381 1.679 -0.036 -8.152 1.00 15.00 H new ATOM 0 HG23 THR A 381 1.985 -0.090 -6.400 1.00 15.00 H new ATOM 248 N TYR A 382 -0.858 -0.593 -4.492 1.00 15.00 N ATOM 249 CA TYR A 382 -0.890 0.233 -3.294 1.00 15.00 C ATOM 250 C TYR A 382 -0.447 -0.557 -2.067 1.00 15.00 C ATOM 251 O TYR A 382 -0.621 -1.779 -2.001 1.00 15.00 O ATOM 252 CB TYR A 382 -2.293 0.815 -3.092 1.00 15.00 C ATOM 253 CG TYR A 382 -3.237 -0.045 -2.286 1.00 15.00 C ATOM 254 CD1 TYR A 382 -3.680 -1.281 -2.739 1.00 15.00 C ATOM 255 CD2 TYR A 382 -3.683 0.399 -1.059 1.00 15.00 C ATOM 256 CE1 TYR A 382 -4.543 -2.047 -1.979 1.00 15.00 C ATOM 257 CE2 TYR A 382 -4.540 -0.354 -0.294 1.00 15.00 C ATOM 258 CZ TYR A 382 -4.971 -1.578 -0.753 1.00 15.00 C ATOM 259 OH TYR A 382 -5.825 -2.338 0.019 1.00 15.00 O ATOM 0 H TYR A 382 -1.134 -1.565 -4.350 1.00 15.00 H new ATOM 0 HA TYR A 382 -0.187 1.055 -3.426 1.00 15.00 H new ATOM 0 HB2 TYR A 382 -2.200 1.783 -2.600 1.00 15.00 H new ATOM 0 HB3 TYR A 382 -2.738 0.996 -4.070 1.00 15.00 H new ATOM 0 HD1 TYR A 382 -3.345 -1.648 -3.698 1.00 15.00 H new ATOM 0 HD2 TYR A 382 -3.351 1.359 -0.692 1.00 15.00 H new ATOM 0 HE1 TYR A 382 -4.881 -3.007 -2.342 1.00 15.00 H new ATOM 0 HE2 TYR A 382 -4.875 0.013 0.665 1.00 15.00 H new ATOM 0 HH TYR A 382 -5.415 -3.210 0.199 1.00 15.00 H new ATOM 269 N TYR A 383 0.142 0.145 -1.111 1.00 15.00 N ATOM 270 CA TYR A 383 0.607 -0.474 0.123 1.00 15.00 C ATOM 271 C TYR A 383 -0.217 0.049 1.307 1.00 15.00 C ATOM 272 O TYR A 383 -0.421 1.258 1.440 1.00 15.00 O ATOM 273 CB TYR A 383 2.094 -0.171 0.325 1.00 15.00 C ATOM 274 CG TYR A 383 2.924 -0.378 -0.923 1.00 15.00 C ATOM 275 CD1 TYR A 383 3.344 -1.648 -1.300 1.00 15.00 C ATOM 276 CD2 TYR A 383 3.275 0.696 -1.734 1.00 15.00 C ATOM 277 CE1 TYR A 383 4.091 -1.839 -2.446 1.00 15.00 C ATOM 278 CE2 TYR A 383 4.018 0.511 -2.882 1.00 15.00 C ATOM 279 CZ TYR A 383 4.424 -0.758 -3.234 1.00 15.00 C ATOM 280 OH TYR A 383 5.166 -0.949 -4.378 1.00 15.00 O ATOM 0 H TYR A 383 0.310 1.149 -1.166 1.00 15.00 H new ATOM 0 HA TYR A 383 0.478 -1.554 0.060 1.00 15.00 H new ATOM 0 HB2 TYR A 383 2.205 0.861 0.659 1.00 15.00 H new ATOM 0 HB3 TYR A 383 2.482 -0.807 1.120 1.00 15.00 H new ATOM 0 HD1 TYR A 383 3.082 -2.498 -0.688 1.00 15.00 H new ATOM 0 HD2 TYR A 383 2.961 1.692 -1.460 1.00 15.00 H new ATOM 0 HE1 TYR A 383 4.413 -2.832 -2.724 1.00 15.00 H new ATOM 0 HE2 TYR A 383 4.280 1.356 -3.501 1.00 15.00 H new ATOM 0 HH TYR A 383 5.314 -0.087 -4.820 1.00 15.00 H new ATOM 290 N VAL A 384 -0.670 -0.857 2.173 1.00 15.00 N ATOM 291 CA VAL A 384 -1.582 -0.499 3.264 1.00 15.00 C ATOM 292 C VAL A 384 -0.901 -0.608 4.610 1.00 15.00 C ATOM 293 O VAL A 384 -0.552 -1.702 5.036 1.00 15.00 O ATOM 294 CB VAL A 384 -2.790 -1.438 3.308 1.00 15.00 C ATOM 295 CG1 VAL A 384 -4.070 -0.659 3.492 1.00 15.00 C ATOM 296 CG2 VAL A 384 -2.833 -2.296 2.069 1.00 15.00 C ATOM 0 H VAL A 384 -0.421 -1.846 2.142 1.00 15.00 H new ATOM 0 HA VAL A 384 -1.894 0.527 3.071 1.00 15.00 H new ATOM 0 HB VAL A 384 -2.687 -2.100 4.168 1.00 15.00 H new ATOM 0 HG11 VAL A 384 -4.914 -1.348 3.520 1.00 15.00 H new ATOM 0 HG12 VAL A 384 -4.025 -0.101 4.427 1.00 15.00 H new ATOM 0 HG13 VAL A 384 -4.196 0.035 2.661 1.00 15.00 H new ATOM 0 HG21 VAL A 384 -3.697 -2.958 2.115 1.00 15.00 H new ATOM 0 HG22 VAL A 384 -2.910 -1.659 1.188 1.00 15.00 H new ATOM 0 HG23 VAL A 384 -1.922 -2.892 2.007 1.00 15.00 H new ATOM 306 N ASN A 385 -0.753 0.497 5.311 1.00 15.00 N ATOM 307 CA ASN A 385 -0.028 0.470 6.569 1.00 15.00 C ATOM 308 C ASN A 385 -0.968 0.272 7.762 1.00 15.00 C ATOM 309 O ASN A 385 -1.866 1.078 7.959 1.00 15.00 O ATOM 310 CB ASN A 385 0.721 1.775 6.790 1.00 15.00 C ATOM 311 CG ASN A 385 1.565 1.699 8.041 1.00 15.00 C ATOM 312 OD1 ASN A 385 2.008 0.493 8.369 1.00 15.00 O flip ATOM 313 ND2 ASN A 385 1.809 2.696 8.704 1.00 15.00 N flip ATOM 0 H ASN A 385 -1.117 1.411 5.040 1.00 15.00 H new ATOM 0 HA ASN A 385 0.667 -0.367 6.504 1.00 15.00 H new ATOM 0 HB2 ASN A 385 1.355 1.987 5.929 1.00 15.00 H new ATOM 0 HB3 ASN A 385 0.011 2.598 6.873 1.00 15.00 H new ATOM 0 HD21 ASN A 385 1.446 3.604 8.412 1.00 15.00 H new ATOM 0 HD22 ASN A 385 2.375 2.621 9.549 1.00 15.00 H new ATOM 320 N HIS A 386 -0.737 -0.760 8.585 1.00 15.00 N ATOM 321 CA HIS A 386 -1.601 -1.016 9.751 1.00 15.00 C ATOM 322 C HIS A 386 -1.107 -0.208 10.929 1.00 15.00 C ATOM 323 O HIS A 386 -1.787 -0.032 11.937 1.00 15.00 O ATOM 324 CB HIS A 386 -1.636 -2.512 10.130 1.00 15.00 C ATOM 325 CG HIS A 386 -1.443 -3.406 8.954 1.00 15.00 C ATOM 326 ND1 HIS A 386 -1.682 -2.962 7.685 1.00 15.00 N ATOM 327 CD2 HIS A 386 -0.862 -4.618 8.824 1.00 15.00 C ATOM 328 CE1 HIS A 386 -1.238 -3.822 6.828 1.00 15.00 C ATOM 329 NE2 HIS A 386 -0.744 -4.854 7.481 1.00 15.00 N ATOM 0 H HIS A 386 0.029 -1.424 8.470 1.00 15.00 H new ATOM 0 HA HIS A 386 -2.615 -0.719 9.485 1.00 15.00 H new ATOM 0 HB2 HIS A 386 -0.859 -2.714 10.867 1.00 15.00 H new ATOM 0 HB3 HIS A 386 -2.591 -2.741 10.603 1.00 15.00 H new ATOM 0 HD2 HIS A 386 -0.551 -5.273 9.624 1.00 15.00 H new ATOM 0 HE1 HIS A 386 -1.267 -3.712 5.754 1.00 15.00 H new ATOM 0 HE2 HIS A 386 -0.341 -5.689 7.057 1.00 15.00 H new ATOM 338 N ASN A 387 0.103 0.271 10.768 1.00 15.00 N ATOM 339 CA ASN A 387 0.832 0.932 11.814 1.00 15.00 C ATOM 340 C ASN A 387 0.417 2.395 11.916 1.00 15.00 C ATOM 341 O ASN A 387 0.516 3.012 12.973 1.00 15.00 O ATOM 342 CB ASN A 387 2.312 0.789 11.485 1.00 15.00 C ATOM 343 CG ASN A 387 3.234 1.314 12.576 1.00 15.00 C ATOM 344 OD1 ASN A 387 2.822 1.185 13.828 1.00 15.00 O flip ATOM 345 ND2 ASN A 387 4.321 1.811 12.292 1.00 15.00 N flip ATOM 0 H ASN A 387 0.615 0.209 9.888 1.00 15.00 H new ATOM 0 HA ASN A 387 0.620 0.483 12.784 1.00 15.00 H new ATOM 0 HB2 ASN A 387 2.536 -0.263 11.307 1.00 15.00 H new ATOM 0 HB3 ASN A 387 2.522 1.321 10.557 1.00 15.00 H new ATOM 0 HD21 ASN A 387 4.604 1.894 11.316 1.00 15.00 H new ATOM 0 HD22 ASN A 387 4.940 2.141 13.033 1.00 15.00 H new ATOM 352 N ASN A 388 -0.037 2.942 10.798 1.00 15.00 N ATOM 353 CA ASN A 388 -0.522 4.317 10.744 1.00 15.00 C ATOM 354 C ASN A 388 -1.978 4.372 10.302 1.00 15.00 C ATOM 355 O ASN A 388 -2.621 5.413 10.421 1.00 15.00 O ATOM 356 CB ASN A 388 0.333 5.178 9.811 1.00 15.00 C ATOM 357 CG ASN A 388 1.359 6.008 10.560 1.00 15.00 C ATOM 358 OD1 ASN A 388 2.489 5.573 10.787 1.00 15.00 O ATOM 359 ND2 ASN A 388 0.970 7.211 10.947 1.00 15.00 N ATOM 0 H ASN A 388 -0.080 2.450 9.906 1.00 15.00 H new ATOM 0 HA ASN A 388 -0.446 4.719 11.754 1.00 15.00 H new ATOM 0 HB2 ASN A 388 0.844 4.534 9.095 1.00 15.00 H new ATOM 0 HB3 ASN A 388 -0.316 5.840 9.237 1.00 15.00 H new ATOM 0 HD21 ASN A 388 1.615 7.817 11.454 1.00 15.00 H new ATOM 0 HD22 ASN A 388 0.025 7.533 10.739 1.00 15.00 H new ATOM 366 N ARG A 389 -2.473 3.257 9.755 1.00 15.00 N ATOM 367 CA ARG A 389 -3.835 3.180 9.213 1.00 15.00 C ATOM 368 C ARG A 389 -3.935 3.983 7.920 1.00 15.00 C ATOM 369 O ARG A 389 -4.532 5.058 7.887 1.00 15.00 O ATOM 370 CB ARG A 389 -4.900 3.654 10.225 1.00 15.00 C ATOM 371 CG ARG A 389 -5.276 2.617 11.280 1.00 15.00 C ATOM 372 CD ARG A 389 -4.104 2.230 12.167 1.00 15.00 C ATOM 373 NE ARG A 389 -3.625 3.350 12.974 1.00 15.00 N ATOM 374 CZ ARG A 389 -2.732 3.232 13.953 1.00 15.00 C ATOM 375 NH1 ARG A 389 -2.212 2.044 14.243 1.00 15.00 N1+ ATOM 376 NH2 ARG A 389 -2.359 4.304 14.637 1.00 15.00 N ATOM 0 H ARG A 389 -1.946 2.388 9.675 1.00 15.00 H new ATOM 0 HA ARG A 389 -4.039 2.130 9.003 1.00 15.00 H new ATOM 0 HB2 ARG A 389 -4.533 4.549 10.728 1.00 15.00 H new ATOM 0 HB3 ARG A 389 -5.799 3.941 9.680 1.00 15.00 H new ATOM 0 HG2 ARG A 389 -6.081 3.011 11.900 1.00 15.00 H new ATOM 0 HG3 ARG A 389 -5.662 1.725 10.786 1.00 15.00 H new ATOM 0 HD2 ARG A 389 -4.403 1.413 12.824 1.00 15.00 H new ATOM 0 HD3 ARG A 389 -3.289 1.858 11.546 1.00 15.00 H new ATOM 0 HE ARG A 389 -3.998 4.278 12.775 1.00 15.00 H new ATOM 0 HH11 ARG A 389 -2.497 1.220 13.714 1.00 15.00 H new ATOM 0 HH12 ARG A 389 -1.527 1.957 14.994 1.00 15.00 H new ATOM 0 HH21 ARG A 389 -2.756 5.216 14.412 1.00 15.00 H new ATOM 0 HH22 ARG A 389 -1.675 4.217 15.388 1.00 15.00 H new ATOM 390 N THR A 390 -3.300 3.484 6.861 1.00 15.00 N ATOM 391 CA THR A 390 -3.194 4.255 5.632 1.00 15.00 C ATOM 392 C THR A 390 -3.209 3.374 4.364 1.00 15.00 C ATOM 393 O THR A 390 -2.752 2.231 4.397 1.00 15.00 O ATOM 394 CB THR A 390 -1.896 5.102 5.682 1.00 15.00 C ATOM 395 OG1 THR A 390 -2.077 6.194 6.593 1.00 15.00 O ATOM 396 CG2 THR A 390 -1.460 5.625 4.313 1.00 15.00 C ATOM 0 H THR A 390 -2.859 2.565 6.831 1.00 15.00 H new ATOM 0 HA THR A 390 -4.071 4.899 5.567 1.00 15.00 H new ATOM 0 HB THR A 390 -1.097 4.445 6.026 1.00 15.00 H new ATOM 0 HG1 THR A 390 -1.257 6.730 6.628 1.00 15.00 H new ATOM 0 HG21 THR A 390 -0.546 6.209 4.421 1.00 15.00 H new ATOM 0 HG22 THR A 390 -1.277 4.784 3.644 1.00 15.00 H new ATOM 0 HG23 THR A 390 -2.246 6.255 3.897 1.00 15.00 H new ATOM 404 N THR A 391 -3.747 3.919 3.259 1.00 15.00 N ATOM 405 CA THR A 391 -3.732 3.272 1.959 1.00 15.00 C ATOM 406 C THR A 391 -3.154 4.250 0.920 1.00 15.00 C ATOM 407 O THR A 391 -3.688 5.351 0.746 1.00 15.00 O ATOM 408 CB THR A 391 -5.161 2.856 1.549 1.00 15.00 C ATOM 409 OG1 THR A 391 -5.219 2.593 0.149 1.00 15.00 O ATOM 410 CG2 THR A 391 -6.173 3.935 1.912 1.00 15.00 C ATOM 0 H THR A 391 -4.206 4.830 3.256 1.00 15.00 H new ATOM 0 HA THR A 391 -3.113 2.376 2.009 1.00 15.00 H new ATOM 0 HB THR A 391 -5.414 1.948 2.096 1.00 15.00 H new ATOM 0 HG1 THR A 391 -5.018 1.648 -0.015 1.00 15.00 H new ATOM 0 HG21 THR A 391 -7.170 3.614 1.611 1.00 15.00 H new ATOM 0 HG22 THR A 391 -6.155 4.103 2.989 1.00 15.00 H new ATOM 0 HG23 THR A 391 -5.919 4.861 1.396 1.00 15.00 H new ATOM 418 N THR A 392 -2.051 3.895 0.257 1.00 15.00 N ATOM 419 CA THR A 392 -1.366 4.863 -0.590 1.00 15.00 C ATOM 420 C THR A 392 -0.636 4.223 -1.777 1.00 15.00 C ATOM 421 O THR A 392 -0.205 3.070 -1.703 1.00 15.00 O ATOM 422 CB THR A 392 -0.371 5.685 0.250 1.00 15.00 C ATOM 423 OG1 THR A 392 0.174 6.755 -0.533 1.00 15.00 O ATOM 424 CG2 THR A 392 0.758 4.815 0.784 1.00 15.00 C ATOM 0 H THR A 392 -1.625 2.969 0.290 1.00 15.00 H new ATOM 0 HA THR A 392 -2.137 5.511 -1.007 1.00 15.00 H new ATOM 0 HB THR A 392 -0.916 6.097 1.099 1.00 15.00 H new ATOM 0 HG1 THR A 392 0.804 7.271 0.012 1.00 15.00 H new ATOM 0 HG21 THR A 392 1.442 5.427 1.372 1.00 15.00 H new ATOM 0 HG22 THR A 392 0.344 4.027 1.413 1.00 15.00 H new ATOM 0 HG23 THR A 392 1.298 4.367 -0.050 1.00 15.00 H new ATOM 432 N TRP A 393 -0.528 4.983 -2.879 1.00 15.00 N ATOM 433 CA TRP A 393 0.308 4.587 -4.020 1.00 15.00 C ATOM 434 C TRP A 393 1.781 4.759 -3.664 1.00 15.00 C ATOM 435 O TRP A 393 2.662 4.146 -4.266 1.00 15.00 O ATOM 436 CB TRP A 393 0.059 5.461 -5.263 1.00 15.00 C ATOM 437 CG TRP A 393 -1.346 5.506 -5.796 1.00 15.00 C ATOM 438 CD1 TRP A 393 -1.966 6.603 -6.324 1.00 15.00 C ATOM 439 CD2 TRP A 393 -2.293 4.435 -5.885 1.00 15.00 C ATOM 440 NE1 TRP A 393 -3.234 6.281 -6.734 1.00 15.00 N ATOM 441 CE2 TRP A 393 -3.458 4.958 -6.477 1.00 15.00 C ATOM 442 CE3 TRP A 393 -2.277 3.087 -5.529 1.00 15.00 C ATOM 443 CZ2 TRP A 393 -4.583 4.180 -6.714 1.00 15.00 C ATOM 444 CZ3 TRP A 393 -3.399 2.317 -5.766 1.00 15.00 C ATOM 445 CH2 TRP A 393 -4.536 2.865 -6.355 1.00 15.00 C ATOM 0 H TRP A 393 -1.009 5.874 -3.002 1.00 15.00 H new ATOM 0 HA TRP A 393 0.052 3.551 -4.241 1.00 15.00 H new ATOM 0 HB2 TRP A 393 0.364 6.480 -5.027 1.00 15.00 H new ATOM 0 HB3 TRP A 393 0.713 5.109 -6.061 1.00 15.00 H new ATOM 0 HD1 TRP A 393 -1.521 7.584 -6.407 1.00 15.00 H new ATOM 0 HE1 TRP A 393 -3.901 6.924 -7.161 1.00 15.00 H new ATOM 0 HE3 TRP A 393 -1.400 2.651 -5.074 1.00 15.00 H new ATOM 0 HZ2 TRP A 393 -5.467 4.602 -7.168 1.00 15.00 H new ATOM 0 HZ3 TRP A 393 -3.395 1.273 -5.490 1.00 15.00 H new ATOM 0 HH2 TRP A 393 -5.397 2.237 -6.531 1.00 15.00 H new ATOM 456 N THR A 394 2.033 5.639 -2.701 1.00 15.00 N ATOM 457 CA THR A 394 3.378 6.114 -2.414 1.00 15.00 C ATOM 458 C THR A 394 4.227 5.049 -1.723 1.00 15.00 C ATOM 459 O THR A 394 3.716 4.227 -0.957 1.00 15.00 O ATOM 460 CB THR A 394 3.314 7.381 -1.533 1.00 15.00 C ATOM 461 OG1 THR A 394 2.350 8.289 -2.077 1.00 15.00 O ATOM 462 CG2 THR A 394 4.668 8.073 -1.457 1.00 15.00 C ATOM 0 H THR A 394 1.313 6.041 -2.101 1.00 15.00 H new ATOM 0 HA THR A 394 3.851 6.349 -3.367 1.00 15.00 H new ATOM 0 HB THR A 394 3.026 7.081 -0.526 1.00 15.00 H new ATOM 0 HG1 THR A 394 1.457 8.053 -1.750 1.00 15.00 H new ATOM 0 HG21 THR A 394 4.588 8.961 -0.830 1.00 15.00 H new ATOM 0 HG22 THR A 394 5.402 7.390 -1.028 1.00 15.00 H new ATOM 0 HG23 THR A 394 4.985 8.364 -2.459 1.00 15.00 H new ATOM 470 N ARG A 395 5.528 5.085 -1.983 1.00 15.00 N ATOM 471 CA ARG A 395 6.463 4.183 -1.340 1.00 15.00 C ATOM 472 C ARG A 395 6.594 4.540 0.131 1.00 15.00 C ATOM 473 O ARG A 395 6.713 5.712 0.489 1.00 15.00 O ATOM 474 CB ARG A 395 7.828 4.249 -2.029 1.00 15.00 C ATOM 475 CG ARG A 395 7.976 3.253 -3.165 1.00 15.00 C ATOM 476 CD ARG A 395 8.003 1.832 -2.629 1.00 15.00 C ATOM 477 NE ARG A 395 8.060 0.827 -3.687 1.00 15.00 N ATOM 478 CZ ARG A 395 8.338 -0.457 -3.471 1.00 15.00 C ATOM 479 NH1 ARG A 395 8.703 -0.865 -2.260 1.00 15.00 N1+ ATOM 480 NH2 ARG A 395 8.296 -1.323 -4.476 1.00 15.00 N ATOM 0 H ARG A 395 5.958 5.736 -2.640 1.00 15.00 H new ATOM 0 HA ARG A 395 6.086 3.164 -1.424 1.00 15.00 H new ATOM 0 HB2 ARG A 395 7.984 5.256 -2.416 1.00 15.00 H new ATOM 0 HB3 ARG A 395 8.609 4.066 -1.291 1.00 15.00 H new ATOM 0 HG2 ARG A 395 7.149 3.367 -3.866 1.00 15.00 H new ATOM 0 HG3 ARG A 395 8.893 3.457 -3.717 1.00 15.00 H new ATOM 0 HD2 ARG A 395 8.866 1.712 -1.974 1.00 15.00 H new ATOM 0 HD3 ARG A 395 7.115 1.662 -2.020 1.00 15.00 H new ATOM 0 HE ARG A 395 7.877 1.125 -4.645 1.00 15.00 H new ATOM 0 HH11 ARG A 395 8.770 -0.194 -1.495 1.00 15.00 H new ATOM 0 HH12 ARG A 395 8.916 -1.849 -2.096 1.00 15.00 H new ATOM 0 HH21 ARG A 395 8.051 -1.005 -5.414 1.00 15.00 H new ATOM 0 HH22 ARG A 395 8.509 -2.307 -4.311 1.00 15.00 H new ATOM 494 N PRO A 396 6.586 3.524 0.997 1.00 15.00 N ATOM 495 CA PRO A 396 6.571 3.709 2.449 1.00 15.00 C ATOM 496 C PRO A 396 7.884 4.268 2.980 1.00 15.00 C ATOM 497 O PRO A 396 8.965 3.878 2.546 1.00 15.00 O ATOM 498 CB PRO A 396 6.355 2.281 2.988 1.00 15.00 C ATOM 499 CG PRO A 396 5.882 1.491 1.818 1.00 15.00 C ATOM 500 CD PRO A 396 6.555 2.105 0.634 1.00 15.00 C ATOM 0 HA PRO A 396 5.807 4.424 2.755 1.00 15.00 H new ATOM 0 HB2 PRO A 396 7.279 1.869 3.394 1.00 15.00 H new ATOM 0 HB3 PRO A 396 5.621 2.271 3.793 1.00 15.00 H new ATOM 0 HG2 PRO A 396 6.147 0.439 1.920 1.00 15.00 H new ATOM 0 HG3 PRO A 396 4.797 1.539 1.723 1.00 15.00 H new ATOM 0 HD2 PRO A 396 7.556 1.702 0.480 1.00 15.00 H new ATOM 0 HD3 PRO A 396 5.997 1.932 -0.286 1.00 15.00 H new ATOM 616 N PRO B 180 -8.101 6.295 -7.628 1.00 15.00 N ATOM 617 CA PRO B 180 -7.456 5.979 -6.359 1.00 15.00 C ATOM 618 C PRO B 180 -7.598 4.662 -5.645 1.00 15.00 C ATOM 619 O PRO B 180 -8.353 3.748 -5.989 1.00 15.00 O ATOM 620 CB PRO B 180 -8.072 7.054 -5.483 1.00 15.00 C ATOM 621 CG PRO B 180 -7.658 8.127 -6.319 1.00 15.00 C ATOM 622 CD PRO B 180 -8.366 7.754 -7.610 1.00 15.00 C ATOM 0 HA PRO B 180 -6.387 5.922 -6.565 1.00 15.00 H new ATOM 0 HB2 PRO B 180 -9.154 6.970 -5.378 1.00 15.00 H new ATOM 0 HB3 PRO B 180 -7.656 7.094 -4.476 1.00 15.00 H new ATOM 0 HG2 PRO B 180 -7.975 9.097 -5.937 1.00 15.00 H new ATOM 0 HG3 PRO B 180 -6.575 8.169 -6.436 1.00 15.00 H new ATOM 0 HD2 PRO B 180 -9.431 7.985 -7.585 1.00 15.00 H new ATOM 0 HD3 PRO B 180 -7.950 8.265 -8.478 1.00 15.00 H new ATOM 630 N PRO B 181 -6.750 4.632 -4.593 1.00 15.00 N ATOM 631 CA PRO B 181 -6.526 3.501 -3.695 1.00 15.00 C ATOM 632 C PRO B 181 -7.797 2.908 -3.105 1.00 15.00 C ATOM 633 O PRO B 181 -8.745 3.622 -2.775 1.00 15.00 O ATOM 634 CB PRO B 181 -5.677 4.115 -2.565 1.00 15.00 C ATOM 635 CG PRO B 181 -5.740 5.599 -2.761 1.00 15.00 C ATOM 636 CD PRO B 181 -5.933 5.811 -4.192 1.00 15.00 C ATOM 0 HA PRO B 181 -6.063 2.673 -4.231 1.00 15.00 H new ATOM 0 HB2 PRO B 181 -6.067 3.834 -1.587 1.00 15.00 H new ATOM 0 HB3 PRO B 181 -4.648 3.758 -2.612 1.00 15.00 H new ATOM 0 HG2 PRO B 181 -6.560 6.033 -2.189 1.00 15.00 H new ATOM 0 HG3 PRO B 181 -4.823 6.077 -2.417 1.00 15.00 H new ATOM 0 HD2 PRO B 181 -6.449 6.749 -4.396 1.00 15.00 H new ATOM 0 HD3 PRO B 181 -4.984 5.847 -4.727 1.00 15.00 H new ATOM 644 N PRO B 182 -7.807 1.578 -2.960 1.00 15.00 N ATOM 645 CA PRO B 182 -8.814 0.863 -2.178 1.00 15.00 C ATOM 646 C PRO B 182 -8.610 1.147 -0.695 1.00 15.00 C ATOM 647 O PRO B 182 -7.483 1.407 -0.279 1.00 15.00 O ATOM 648 CB PRO B 182 -8.539 -0.619 -2.480 1.00 15.00 C ATOM 649 CG PRO B 182 -7.575 -0.631 -3.620 1.00 15.00 C ATOM 650 CD PRO B 182 -6.824 0.664 -3.547 1.00 15.00 C ATOM 0 HA PRO B 182 -9.834 1.157 -2.424 1.00 15.00 H new ATOM 0 HB2 PRO B 182 -8.121 -1.124 -1.609 1.00 15.00 H new ATOM 0 HB3 PRO B 182 -9.459 -1.142 -2.741 1.00 15.00 H new ATOM 0 HG2 PRO B 182 -6.895 -1.480 -3.546 1.00 15.00 H new ATOM 0 HG3 PRO B 182 -8.099 -0.724 -4.571 1.00 15.00 H new ATOM 0 HD2 PRO B 182 -5.931 0.579 -2.928 1.00 15.00 H new ATOM 0 HD3 PRO B 182 -6.498 0.999 -4.532 1.00 15.00 H new ATOM 658 N GLY B 183 -9.688 1.119 0.083 1.00 15.00 N ATOM 659 CA GLY B 183 -9.616 1.426 1.507 1.00 15.00 C ATOM 660 C GLY B 183 -8.539 0.650 2.259 1.00 15.00 C ATOM 661 O GLY B 183 -7.924 -0.271 1.726 1.00 15.00 O ATOM 0 H GLY B 183 -10.624 0.886 -0.250 1.00 15.00 H new ATOM 0 HA2 GLY B 183 -9.431 2.493 1.628 1.00 15.00 H new ATOM 0 HA3 GLY B 183 -10.584 1.216 1.962 1.00 15.00 H new ATOM 665 N TYR B 184 -8.370 0.978 3.529 1.00 15.00 N ATOM 666 CA TYR B 184 -7.241 0.481 4.300 1.00 15.00 C ATOM 667 C TYR B 184 -7.548 -0.863 5.002 1.00 15.00 C ATOM 668 O TYR B 184 -8.546 -0.987 5.715 1.00 15.00 O ATOM 669 CB TYR B 184 -6.801 1.557 5.315 1.00 15.00 C ATOM 670 CG TYR B 184 -6.207 1.000 6.587 1.00 15.00 C ATOM 671 CD1 TYR B 184 -4.946 0.431 6.603 1.00 15.00 C ATOM 672 CD2 TYR B 184 -6.928 1.036 7.773 1.00 15.00 C ATOM 673 CE1 TYR B 184 -4.418 -0.082 7.766 1.00 15.00 C ATOM 674 CE2 TYR B 184 -6.406 0.525 8.940 1.00 15.00 C ATOM 675 CZ TYR B 184 -5.149 -0.032 8.931 1.00 15.00 C ATOM 676 OH TYR B 184 -4.613 -0.537 10.089 1.00 15.00 O ATOM 0 H TYR B 184 -9.001 1.587 4.049 1.00 15.00 H new ATOM 0 HA TYR B 184 -6.422 0.279 3.609 1.00 15.00 H new ATOM 0 HB2 TYR B 184 -6.069 2.210 4.841 1.00 15.00 H new ATOM 0 HB3 TYR B 184 -7.662 2.175 5.569 1.00 15.00 H new ATOM 0 HD1 TYR B 184 -4.369 0.389 5.691 1.00 15.00 H new ATOM 0 HD2 TYR B 184 -7.916 1.473 7.780 1.00 15.00 H new ATOM 0 HE1 TYR B 184 -3.432 -0.523 7.764 1.00 15.00 H new ATOM 0 HE2 TYR B 184 -6.979 0.561 9.855 1.00 15.00 H new ATOM 0 HH TYR B 184 -5.254 -0.425 10.822 1.00 15.00 H new ATOM 686 N LEU B 185 -6.659 -1.857 4.791 1.00 15.00 N ATOM 687 CA LEU B 185 -6.775 -3.192 5.371 1.00 15.00 C ATOM 688 C LEU B 185 -7.993 -3.957 4.920 1.00 15.00 C ATOM 689 O LEU B 185 -8.963 -4.154 5.653 1.00 15.00 O ATOM 690 CB LEU B 185 -6.601 -3.230 6.884 1.00 15.00 C ATOM 691 CG LEU B 185 -5.168 -3.447 7.337 1.00 15.00 C ATOM 692 CD1 LEU B 185 -5.089 -3.495 8.856 1.00 15.00 C ATOM 693 CD2 LEU B 185 -4.615 -4.730 6.736 1.00 15.00 C ATOM 0 H LEU B 185 -5.833 -1.743 4.204 1.00 15.00 H new ATOM 0 HA LEU B 185 -5.918 -3.724 4.957 1.00 15.00 H new ATOM 0 HB2 LEU B 185 -6.966 -2.293 7.305 1.00 15.00 H new ATOM 0 HB3 LEU B 185 -7.224 -4.026 7.291 1.00 15.00 H new ATOM 0 HG LEU B 185 -4.564 -2.609 6.988 1.00 15.00 H new ATOM 0 HD11 LEU B 185 -4.054 -3.651 9.162 1.00 15.00 H new ATOM 0 HD12 LEU B 185 -5.451 -2.554 9.269 1.00 15.00 H new ATOM 0 HD13 LEU B 185 -5.705 -4.315 9.227 1.00 15.00 H new ATOM 0 HD21 LEU B 185 -3.587 -4.874 7.069 1.00 15.00 H new ATOM 0 HD22 LEU B 185 -5.223 -5.575 7.060 1.00 15.00 H new ATOM 0 HD23 LEU B 185 -4.638 -4.662 5.648 1.00 15.00 H new ATOM 705 N SER B 186 -7.923 -4.323 3.668 1.00 15.00 N ATOM 706 CA SER B 186 -8.713 -5.374 3.106 1.00 15.00 C ATOM 707 C SER B 186 -7.875 -5.973 1.997 1.00 15.00 C ATOM 708 O SER B 186 -7.812 -5.432 0.892 1.00 15.00 O ATOM 709 CB SER B 186 -10.033 -4.824 2.571 1.00 15.00 C ATOM 710 OG SER B 186 -10.687 -5.756 1.719 1.00 15.00 O ATOM 0 H SER B 186 -7.295 -3.882 2.996 1.00 15.00 H new ATOM 0 HA SER B 186 -8.973 -6.128 3.849 1.00 15.00 H new ATOM 0 HB2 SER B 186 -10.687 -4.574 3.406 1.00 15.00 H new ATOM 0 HB3 SER B 186 -9.847 -3.900 2.024 1.00 15.00 H new ATOM 0 HG SER B 186 -11.528 -5.370 1.397 1.00 15.00 H new ATOM 716 N GLU B 187 -7.224 -7.083 2.294 1.00 15.00 N ATOM 717 CA GLU B 187 -6.196 -7.604 1.412 1.00 15.00 C ATOM 718 C GLU B 187 -6.492 -9.061 1.101 1.00 15.00 C ATOM 719 O GLU B 187 -6.268 -9.950 1.926 1.00 15.00 O ATOM 720 CB GLU B 187 -4.788 -7.432 2.033 1.00 15.00 C ATOM 721 CG GLU B 187 -4.559 -6.094 2.740 1.00 15.00 C ATOM 722 CD GLU B 187 -4.896 -4.879 1.894 1.00 15.00 C ATOM 723 OE1 GLU B 187 -4.519 -4.841 0.706 1.00 15.00 O1- ATOM 724 OE2 GLU B 187 -5.557 -3.959 2.419 1.00 15.00 O ATOM 0 H GLU B 187 -7.387 -7.638 3.134 1.00 15.00 H new ATOM 0 HA GLU B 187 -6.203 -7.038 0.481 1.00 15.00 H new ATOM 0 HB2 GLU B 187 -4.620 -8.238 2.747 1.00 15.00 H new ATOM 0 HB3 GLU B 187 -4.043 -7.543 1.246 1.00 15.00 H new ATOM 0 HG2 GLU B 187 -5.160 -6.068 3.649 1.00 15.00 H new ATOM 0 HG3 GLU B 187 -3.515 -6.031 3.046 1.00 15.00 H new