USER MOD reduce.3.24.130724 H: found=0, std=0, add=357, rem=0, adj=15 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 388 ASN : amide:sc= 0.902 K(o=1.7,f=0.28) USER MOD Set 1.2: A 390 THR OG1 : rot -170:sc= 0.846 USER MOD Single : A 369 SER OG : rot 180:sc= 0 USER MOD Single : A 375 LYS NZ :NH3+ 170:sc= -0.159 (180deg=-0.338) USER MOD Single : A 378 LYS NZ :NH3+ 173:sc= 1.53 (180deg=1.08) USER MOD Single : A 381 THR OG1 : rot 34:sc= 1.26 USER MOD Single : A 382 TYR OH : rot 137:sc= 1.28 USER MOD Single : A 383 TYR OH : rot 165:sc= 0 USER MOD Single : A 385 ASN :FLIP amide:sc= -4.21! C(o=-6.6!,f=-4.2!) USER MOD Single : A 386 HIS : no HD1:sc= -3.01! C(o=-3!,f=-9.8!) USER MOD Single : A 387 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 391 THR OG1 : rot 79:sc= -0.442! USER MOD Single : A 392 THR OG1 : rot 150:sc= -1.69! USER MOD Single : A 394 THR OG1 : rot 180:sc= 0 USER MOD Single : A 398 MET CE :methyl -178:sc= 0 (180deg=-0.00343) USER MOD Single : A 399 GLN :FLIP amide:sc= -0.539 F(o=-2.3!,f=-0.54) USER MOD Single : B 184 TYR OH : rot -155:sc= -1.71! USER MOD Single : B 186 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 366 11.898 -2.684 -1.893 1.00 15.00 N ATOM 2 CA GLY A 366 11.763 -3.258 -0.572 1.00 15.00 C ATOM 3 C GLY A 366 10.364 -3.114 -0.013 1.00 15.00 C ATOM 4 O GLY A 366 9.791 -2.021 -0.019 1.00 15.00 O ATOM 0 HA2 GLY A 366 12.027 -4.315 -0.611 1.00 15.00 H new ATOM 0 HA3 GLY A 366 12.471 -2.777 0.103 1.00 15.00 H new ATOM 8 N LEU A 367 9.807 -4.222 0.451 1.00 15.00 N ATOM 9 CA LEU A 367 8.501 -4.220 1.094 1.00 15.00 C ATOM 10 C LEU A 367 8.702 -4.140 2.604 1.00 15.00 C ATOM 11 O LEU A 367 9.528 -4.869 3.156 1.00 15.00 O ATOM 12 CB LEU A 367 7.736 -5.501 0.733 1.00 15.00 C ATOM 13 CG LEU A 367 6.215 -5.431 0.893 1.00 15.00 C ATOM 14 CD1 LEU A 367 5.595 -4.661 -0.263 1.00 15.00 C ATOM 15 CD2 LEU A 367 5.619 -6.823 0.991 1.00 15.00 C ATOM 0 H LEU A 367 10.243 -5.142 0.394 1.00 15.00 H new ATOM 0 HA LEU A 367 7.921 -3.363 0.752 1.00 15.00 H new ATOM 0 HB2 LEU A 367 7.963 -5.759 -0.301 1.00 15.00 H new ATOM 0 HB3 LEU A 367 8.112 -6.314 1.354 1.00 15.00 H new ATOM 0 HG LEU A 367 5.991 -4.902 1.819 1.00 15.00 H new ATOM 0 HD11 LEU A 367 4.513 -4.620 -0.134 1.00 15.00 H new ATOM 0 HD12 LEU A 367 5.997 -3.648 -0.282 1.00 15.00 H new ATOM 0 HD13 LEU A 367 5.830 -5.162 -1.202 1.00 15.00 H new ATOM 0 HD21 LEU A 367 4.537 -6.749 1.104 1.00 15.00 H new ATOM 0 HD22 LEU A 367 5.851 -7.383 0.085 1.00 15.00 H new ATOM 0 HD23 LEU A 367 6.039 -7.339 1.854 1.00 15.00 H new ATOM 27 N PRO A 368 7.963 -3.268 3.301 1.00 15.00 N ATOM 28 CA PRO A 368 8.108 -3.109 4.728 1.00 15.00 C ATOM 29 C PRO A 368 7.197 -4.056 5.495 1.00 15.00 C ATOM 30 O PRO A 368 6.000 -4.175 5.210 1.00 15.00 O ATOM 31 CB PRO A 368 7.654 -1.677 4.954 1.00 15.00 C ATOM 32 CG PRO A 368 6.578 -1.501 3.951 1.00 15.00 C ATOM 33 CD PRO A 368 7.020 -2.296 2.749 1.00 15.00 C ATOM 0 HA PRO A 368 9.121 -3.322 5.069 1.00 15.00 H new ATOM 0 HB2 PRO A 368 7.287 -1.526 5.969 1.00 15.00 H new ATOM 0 HB3 PRO A 368 8.467 -0.968 4.801 1.00 15.00 H new ATOM 0 HG2 PRO A 368 5.623 -1.862 4.332 1.00 15.00 H new ATOM 0 HG3 PRO A 368 6.444 -0.449 3.699 1.00 15.00 H new ATOM 0 HD2 PRO A 368 6.177 -2.788 2.263 1.00 15.00 H new ATOM 0 HD3 PRO A 368 7.493 -1.660 2.001 1.00 15.00 H new ATOM 41 N SER A 369 7.772 -4.720 6.462 1.00 15.00 N ATOM 42 CA SER A 369 7.040 -5.644 7.296 1.00 15.00 C ATOM 43 C SER A 369 6.075 -4.875 8.198 1.00 15.00 C ATOM 44 O SER A 369 6.504 -4.168 9.111 1.00 15.00 O ATOM 45 CB SER A 369 8.020 -6.442 8.148 1.00 15.00 C ATOM 46 OG SER A 369 9.079 -6.959 7.358 1.00 15.00 O ATOM 0 H SER A 369 8.761 -4.638 6.696 1.00 15.00 H new ATOM 0 HA SER A 369 6.469 -6.326 6.666 1.00 15.00 H new ATOM 0 HB2 SER A 369 8.426 -5.805 8.934 1.00 15.00 H new ATOM 0 HB3 SER A 369 7.496 -7.261 8.640 1.00 15.00 H new ATOM 0 HG SER A 369 9.695 -7.465 7.928 1.00 15.00 H new ATOM 52 N GLY A 370 4.780 -4.976 7.922 1.00 15.00 N ATOM 53 CA GLY A 370 3.812 -4.228 8.685 1.00 15.00 C ATOM 54 C GLY A 370 2.719 -3.683 7.799 1.00 15.00 C ATOM 55 O GLY A 370 1.685 -3.226 8.280 1.00 15.00 O ATOM 0 H GLY A 370 4.389 -5.562 7.185 1.00 15.00 H new ATOM 0 HA2 GLY A 370 3.376 -4.869 9.452 1.00 15.00 H new ATOM 0 HA3 GLY A 370 4.309 -3.406 9.201 1.00 15.00 H new ATOM 59 N TRP A 371 2.985 -3.645 6.500 1.00 15.00 N ATOM 60 CA TRP A 371 1.973 -3.349 5.524 1.00 15.00 C ATOM 61 C TRP A 371 1.601 -4.591 4.733 1.00 15.00 C ATOM 62 O TRP A 371 2.369 -5.549 4.682 1.00 15.00 O ATOM 63 CB TRP A 371 2.513 -2.327 4.551 1.00 15.00 C ATOM 64 CG TRP A 371 3.086 -1.098 5.178 1.00 15.00 C ATOM 65 CD1 TRP A 371 3.715 -0.970 6.372 1.00 15.00 C ATOM 66 CD2 TRP A 371 3.066 0.184 4.603 1.00 15.00 C ATOM 67 NE1 TRP A 371 4.110 0.324 6.553 1.00 15.00 N ATOM 68 CE2 TRP A 371 3.712 1.063 5.473 1.00 15.00 C ATOM 69 CE3 TRP A 371 2.554 0.645 3.427 1.00 15.00 C ATOM 70 CZ2 TRP A 371 3.857 2.417 5.185 1.00 15.00 C ATOM 71 CZ3 TRP A 371 2.681 1.991 3.118 1.00 15.00 C ATOM 72 CH2 TRP A 371 3.331 2.867 4.002 1.00 15.00 C ATOM 0 H TRP A 371 3.909 -3.820 6.105 1.00 15.00 H new ATOM 0 HA TRP A 371 1.093 -2.975 6.047 1.00 15.00 H new ATOM 0 HB2 TRP A 371 3.284 -2.799 3.942 1.00 15.00 H new ATOM 0 HB3 TRP A 371 1.710 -2.031 3.875 1.00 15.00 H new ATOM 0 HD1 TRP A 371 3.879 -1.773 7.076 1.00 15.00 H new ATOM 0 HE1 TRP A 371 4.619 0.681 7.362 1.00 15.00 H new ATOM 0 HE3 TRP A 371 2.056 -0.029 2.745 1.00 15.00 H new ATOM 0 HZ2 TRP A 371 4.363 3.086 5.866 1.00 15.00 H new ATOM 0 HZ3 TRP A 371 2.277 2.368 2.190 1.00 15.00 H new ATOM 0 HH2 TRP A 371 3.418 3.913 3.746 1.00 15.00 H new ATOM 83 N GLU A 372 0.446 -4.568 4.084 1.00 15.00 N ATOM 84 CA GLU A 372 0.133 -5.605 3.120 1.00 15.00 C ATOM 85 C GLU A 372 0.323 -5.038 1.720 1.00 15.00 C ATOM 86 O GLU A 372 0.065 -3.856 1.493 1.00 15.00 O ATOM 87 CB GLU A 372 -1.299 -6.150 3.268 1.00 15.00 C ATOM 88 CG GLU A 372 -1.694 -6.533 4.681 1.00 15.00 C ATOM 89 CD GLU A 372 -0.675 -7.416 5.367 1.00 15.00 C ATOM 90 OE1 GLU A 372 -0.452 -8.552 4.908 1.00 15.00 O1- ATOM 91 OE2 GLU A 372 -0.091 -6.972 6.378 1.00 15.00 O ATOM 0 H GLU A 372 -0.275 -3.857 4.205 1.00 15.00 H new ATOM 0 HA GLU A 372 0.806 -6.443 3.301 1.00 15.00 H new ATOM 0 HB2 GLU A 372 -1.998 -5.398 2.902 1.00 15.00 H new ATOM 0 HB3 GLU A 372 -1.407 -7.024 2.626 1.00 15.00 H new ATOM 0 HG2 GLU A 372 -1.835 -5.627 5.270 1.00 15.00 H new ATOM 0 HG3 GLU A 372 -2.654 -7.049 4.656 1.00 15.00 H new ATOM 98 N GLU A 373 0.782 -5.854 0.783 1.00 15.00 N ATOM 99 CA GLU A 373 0.953 -5.383 -0.585 1.00 15.00 C ATOM 100 C GLU A 373 -0.130 -5.915 -1.510 1.00 15.00 C ATOM 101 O GLU A 373 -0.582 -7.055 -1.377 1.00 15.00 O ATOM 102 CB GLU A 373 2.307 -5.774 -1.146 1.00 15.00 C ATOM 103 CG GLU A 373 2.680 -7.226 -0.888 1.00 15.00 C ATOM 104 CD GLU A 373 3.516 -7.826 -1.999 1.00 15.00 C ATOM 105 OE1 GLU A 373 4.719 -7.507 -2.087 1.00 15.00 O ATOM 106 OE2 GLU A 373 2.970 -8.635 -2.782 1.00 15.00 O1- ATOM 0 H GLU A 373 1.039 -6.829 0.939 1.00 15.00 H new ATOM 0 HA GLU A 373 0.880 -4.296 -0.539 1.00 15.00 H new ATOM 0 HB2 GLU A 373 2.311 -5.593 -2.221 1.00 15.00 H new ATOM 0 HB3 GLU A 373 3.071 -5.129 -0.711 1.00 15.00 H new ATOM 0 HG2 GLU A 373 3.230 -7.293 0.051 1.00 15.00 H new ATOM 0 HG3 GLU A 373 1.770 -7.814 -0.767 1.00 15.00 H new ATOM 113 N ARG A 374 -0.500 -5.090 -2.474 1.00 15.00 N ATOM 114 CA ARG A 374 -1.503 -5.451 -3.468 1.00 15.00 C ATOM 115 C ARG A 374 -1.238 -4.740 -4.785 1.00 15.00 C ATOM 116 O ARG A 374 -1.108 -3.514 -4.821 1.00 15.00 O ATOM 117 CB ARG A 374 -2.925 -5.131 -2.990 1.00 15.00 C ATOM 118 CG ARG A 374 -3.506 -6.176 -2.056 1.00 15.00 C ATOM 119 CD ARG A 374 -5.003 -6.341 -2.270 1.00 15.00 C ATOM 120 NE ARG A 374 -5.785 -5.226 -1.734 1.00 15.00 N ATOM 121 CZ ARG A 374 -7.065 -5.002 -2.041 1.00 15.00 C ATOM 122 NH1 ARG A 374 -7.681 -5.769 -2.930 1.00 15.00 N1+ ATOM 123 NH2 ARG A 374 -7.721 -4.009 -1.465 1.00 15.00 N ATOM 0 H ARG A 374 -0.116 -4.152 -2.592 1.00 15.00 H new ATOM 0 HA ARG A 374 -1.428 -6.528 -3.616 1.00 15.00 H new ATOM 0 HB2 ARG A 374 -2.919 -4.166 -2.483 1.00 15.00 H new ATOM 0 HB3 ARG A 374 -3.576 -5.031 -3.858 1.00 15.00 H new ATOM 0 HG2 ARG A 374 -3.006 -7.131 -2.220 1.00 15.00 H new ATOM 0 HG3 ARG A 374 -3.314 -5.889 -1.022 1.00 15.00 H new ATOM 0 HD2 ARG A 374 -5.203 -6.438 -3.337 1.00 15.00 H new ATOM 0 HD3 ARG A 374 -5.332 -7.267 -1.799 1.00 15.00 H new ATOM 0 HE ARG A 374 -5.326 -4.583 -1.089 1.00 15.00 H new ATOM 0 HH11 ARG A 374 -7.177 -6.532 -3.381 1.00 15.00 H new ATOM 0 HH12 ARG A 374 -8.659 -5.596 -3.163 1.00 15.00 H new ATOM 0 HH21 ARG A 374 -7.249 -3.413 -0.785 1.00 15.00 H new ATOM 0 HH22 ARG A 374 -8.699 -3.839 -1.701 1.00 15.00 H new ATOM 137 N LYS A 375 -1.169 -5.501 -5.864 1.00 15.00 N ATOM 138 CA LYS A 375 -1.026 -4.928 -7.192 1.00 15.00 C ATOM 139 C LYS A 375 -2.274 -5.258 -8.009 1.00 15.00 C ATOM 140 O LYS A 375 -2.465 -6.406 -8.414 1.00 15.00 O ATOM 141 CB LYS A 375 0.234 -5.477 -7.883 1.00 15.00 C ATOM 142 CG LYS A 375 0.776 -4.591 -9.003 1.00 15.00 C ATOM 143 CD LYS A 375 -0.057 -4.666 -10.276 1.00 15.00 C ATOM 144 CE LYS A 375 0.505 -5.675 -11.269 1.00 15.00 C ATOM 145 NZ LYS A 375 0.413 -7.077 -10.778 1.00 15.00 N1+ ATOM 0 H LYS A 375 -1.210 -6.520 -5.846 1.00 15.00 H new ATOM 0 HA LYS A 375 -0.918 -3.846 -7.113 1.00 15.00 H new ATOM 0 HB2 LYS A 375 1.014 -5.613 -7.134 1.00 15.00 H new ATOM 0 HB3 LYS A 375 0.009 -6.462 -8.292 1.00 15.00 H new ATOM 0 HG2 LYS A 375 0.810 -3.558 -8.658 1.00 15.00 H new ATOM 0 HG3 LYS A 375 1.801 -4.885 -9.228 1.00 15.00 H new ATOM 0 HD2 LYS A 375 -1.081 -4.939 -10.023 1.00 15.00 H new ATOM 0 HD3 LYS A 375 -0.095 -3.682 -10.742 1.00 15.00 H new ATOM 0 HE2 LYS A 375 -0.034 -5.589 -12.213 1.00 15.00 H new ATOM 0 HE3 LYS A 375 1.548 -5.434 -11.474 1.00 15.00 H new ATOM 0 HZ1 LYS A 375 0.649 -7.732 -11.551 1.00 15.00 H new ATOM 0 HZ2 LYS A 375 1.080 -7.214 -9.992 1.00 15.00 H new ATOM 0 HZ3 LYS A 375 -0.555 -7.266 -10.447 1.00 15.00 H new ATOM 159 N ASP A 376 -3.145 -4.274 -8.210 1.00 15.00 N ATOM 160 CA ASP A 376 -4.378 -4.506 -8.947 1.00 15.00 C ATOM 161 C ASP A 376 -4.163 -4.201 -10.425 1.00 15.00 C ATOM 162 O ASP A 376 -3.493 -3.220 -10.771 1.00 15.00 O ATOM 163 CB ASP A 376 -5.519 -3.648 -8.392 1.00 15.00 C ATOM 164 CG ASP A 376 -6.864 -4.051 -8.969 1.00 15.00 C ATOM 165 OD1 ASP A 376 -7.196 -3.597 -10.080 1.00 15.00 O1- ATOM 166 OD2 ASP A 376 -7.586 -4.833 -8.313 1.00 15.00 O ATOM 0 H ASP A 376 -3.020 -3.318 -7.876 1.00 15.00 H new ATOM 0 HA ASP A 376 -4.655 -5.554 -8.832 1.00 15.00 H new ATOM 0 HB2 ASP A 376 -5.548 -3.741 -7.306 1.00 15.00 H new ATOM 0 HB3 ASP A 376 -5.327 -2.599 -8.618 1.00 15.00 H new ATOM 171 N ALA A 377 -4.779 -5.013 -11.287 1.00 15.00 N ATOM 172 CA ALA A 377 -4.541 -4.960 -12.728 1.00 15.00 C ATOM 173 C ALA A 377 -5.005 -3.651 -13.359 1.00 15.00 C ATOM 174 O ALA A 377 -4.754 -3.409 -14.540 1.00 15.00 O ATOM 175 CB ALA A 377 -5.229 -6.133 -13.410 1.00 15.00 C ATOM 0 H ALA A 377 -5.455 -5.723 -11.005 1.00 15.00 H new ATOM 0 HA ALA A 377 -3.462 -5.020 -12.874 1.00 15.00 H new ATOM 0 HB1 ALA A 377 -5.047 -6.087 -14.484 1.00 15.00 H new ATOM 0 HB2 ALA A 377 -4.832 -7.068 -13.014 1.00 15.00 H new ATOM 0 HB3 ALA A 377 -6.301 -6.086 -13.221 1.00 15.00 H new ATOM 181 N LYS A 378 -5.672 -2.807 -12.583 1.00 15.00 N ATOM 182 CA LYS A 378 -6.138 -1.526 -13.087 1.00 15.00 C ATOM 183 C LYS A 378 -4.980 -0.540 -13.245 1.00 15.00 C ATOM 184 O LYS A 378 -5.177 0.604 -13.648 1.00 15.00 O ATOM 185 CB LYS A 378 -7.221 -0.946 -12.173 1.00 15.00 C ATOM 186 CG LYS A 378 -6.753 -0.585 -10.769 1.00 15.00 C ATOM 187 CD LYS A 378 -7.891 0.042 -9.984 1.00 15.00 C ATOM 188 CE LYS A 378 -7.438 0.581 -8.640 1.00 15.00 C ATOM 189 NZ LYS A 378 -8.210 1.794 -8.262 1.00 15.00 N1+ ATOM 0 H LYS A 378 -5.901 -2.987 -11.605 1.00 15.00 H new ATOM 0 HA LYS A 378 -6.573 -1.693 -14.073 1.00 15.00 H new ATOM 0 HB2 LYS A 378 -7.632 -0.053 -12.643 1.00 15.00 H new ATOM 0 HB3 LYS A 378 -8.034 -1.668 -12.094 1.00 15.00 H new ATOM 0 HG2 LYS A 378 -6.396 -1.478 -10.256 1.00 15.00 H new ATOM 0 HG3 LYS A 378 -5.914 0.108 -10.824 1.00 15.00 H new ATOM 0 HD2 LYS A 378 -8.329 0.851 -10.568 1.00 15.00 H new ATOM 0 HD3 LYS A 378 -8.674 -0.700 -9.830 1.00 15.00 H new ATOM 0 HE2 LYS A 378 -7.563 -0.186 -7.876 1.00 15.00 H new ATOM 0 HE3 LYS A 378 -6.375 0.820 -8.680 1.00 15.00 H new ATOM 0 HZ1 LYS A 378 -7.965 2.073 -7.291 1.00 15.00 H new ATOM 0 HZ2 LYS A 378 -7.978 2.570 -8.914 1.00 15.00 H new ATOM 0 HZ3 LYS A 378 -9.228 1.589 -8.317 1.00 15.00 H new ATOM 203 N GLY A 379 -3.770 -0.999 -12.946 1.00 15.00 N ATOM 204 CA GLY A 379 -2.591 -0.176 -13.139 1.00 15.00 C ATOM 205 C GLY A 379 -2.246 0.648 -11.919 1.00 15.00 C ATOM 206 O GLY A 379 -1.673 1.728 -12.031 1.00 15.00 O ATOM 0 H GLY A 379 -3.584 -1.930 -12.572 1.00 15.00 H new ATOM 0 HA2 GLY A 379 -1.745 -0.815 -13.392 1.00 15.00 H new ATOM 0 HA3 GLY A 379 -2.753 0.489 -13.987 1.00 15.00 H new ATOM 210 N ARG A 380 -2.584 0.126 -10.751 1.00 15.00 N ATOM 211 CA ARG A 380 -2.306 0.812 -9.498 1.00 15.00 C ATOM 212 C ARG A 380 -2.041 -0.180 -8.365 1.00 15.00 C ATOM 213 O ARG A 380 -2.939 -0.910 -7.939 1.00 15.00 O ATOM 214 CB ARG A 380 -3.452 1.774 -9.139 1.00 15.00 C ATOM 215 CG ARG A 380 -3.261 3.184 -9.691 1.00 15.00 C ATOM 216 CD ARG A 380 -4.563 3.988 -9.746 1.00 15.00 C ATOM 217 NE ARG A 380 -5.379 3.635 -10.914 1.00 15.00 N ATOM 218 CZ ARG A 380 -4.953 3.692 -12.190 1.00 15.00 C ATOM 219 NH1 ARG A 380 -3.699 4.028 -12.481 1.00 15.00 N1+ ATOM 220 NH2 ARG A 380 -5.793 3.425 -13.173 1.00 15.00 N ATOM 0 H ARG A 380 -3.053 -0.773 -10.644 1.00 15.00 H new ATOM 0 HA ARG A 380 -1.399 1.401 -9.633 1.00 15.00 H new ATOM 0 HB2 ARG A 380 -4.389 1.368 -9.520 1.00 15.00 H new ATOM 0 HB3 ARG A 380 -3.545 1.827 -8.054 1.00 15.00 H new ATOM 0 HG2 ARG A 380 -2.538 3.716 -9.072 1.00 15.00 H new ATOM 0 HG3 ARG A 380 -2.837 3.121 -10.693 1.00 15.00 H new ATOM 0 HD2 ARG A 380 -5.137 3.811 -8.836 1.00 15.00 H new ATOM 0 HD3 ARG A 380 -4.331 5.053 -9.775 1.00 15.00 H new ATOM 0 HE ARG A 380 -6.336 3.325 -10.747 1.00 15.00 H new ATOM 0 HH11 ARG A 380 -3.043 4.248 -11.732 1.00 15.00 H new ATOM 0 HH12 ARG A 380 -3.394 4.066 -13.454 1.00 15.00 H new ATOM 0 HH21 ARG A 380 -6.760 3.177 -12.964 1.00 15.00 H new ATOM 0 HH22 ARG A 380 -5.475 3.467 -14.141 1.00 15.00 H new ATOM 234 N THR A 381 -0.795 -0.224 -7.902 1.00 15.00 N ATOM 235 CA THR A 381 -0.419 -1.051 -6.771 1.00 15.00 C ATOM 236 C THR A 381 -0.266 -0.173 -5.535 1.00 15.00 C ATOM 237 O THR A 381 0.254 0.939 -5.623 1.00 15.00 O ATOM 238 CB THR A 381 0.900 -1.816 -7.044 1.00 15.00 C ATOM 239 OG1 THR A 381 1.258 -2.628 -5.919 1.00 15.00 O ATOM 240 CG2 THR A 381 2.043 -0.858 -7.365 1.00 15.00 C ATOM 0 H THR A 381 -0.024 0.312 -8.301 1.00 15.00 H new ATOM 0 HA THR A 381 -1.203 -1.790 -6.607 1.00 15.00 H new ATOM 0 HB THR A 381 0.730 -2.456 -7.910 1.00 15.00 H new ATOM 0 HG1 THR A 381 0.446 -2.968 -5.490 1.00 15.00 H new ATOM 0 HG21 THR A 381 2.954 -1.427 -7.551 1.00 15.00 H new ATOM 0 HG22 THR A 381 1.792 -0.276 -8.251 1.00 15.00 H new ATOM 0 HG23 THR A 381 2.202 -0.186 -6.522 1.00 15.00 H new ATOM 248 N TYR A 382 -0.733 -0.654 -4.393 1.00 15.00 N ATOM 249 CA TYR A 382 -0.727 0.155 -3.189 1.00 15.00 C ATOM 250 C TYR A 382 -0.271 -0.654 -1.990 1.00 15.00 C ATOM 251 O TYR A 382 -0.478 -1.870 -1.924 1.00 15.00 O ATOM 252 CB TYR A 382 -2.114 0.748 -2.932 1.00 15.00 C ATOM 253 CG TYR A 382 -3.084 -0.161 -2.225 1.00 15.00 C ATOM 254 CD1 TYR A 382 -3.635 -1.273 -2.848 1.00 15.00 C ATOM 255 CD2 TYR A 382 -3.460 0.117 -0.928 1.00 15.00 C ATOM 256 CE1 TYR A 382 -4.534 -2.084 -2.184 1.00 15.00 C ATOM 257 CE2 TYR A 382 -4.352 -0.681 -0.255 1.00 15.00 C ATOM 258 CZ TYR A 382 -4.890 -1.786 -0.882 1.00 15.00 C ATOM 259 OH TYR A 382 -5.785 -2.595 -0.213 1.00 15.00 O ATOM 0 H TYR A 382 -1.117 -1.592 -4.277 1.00 15.00 H new ATOM 0 HA TYR A 382 -0.020 0.971 -3.338 1.00 15.00 H new ATOM 0 HB2 TYR A 382 -1.998 1.657 -2.342 1.00 15.00 H new ATOM 0 HB3 TYR A 382 -2.548 1.041 -3.888 1.00 15.00 H new ATOM 0 HD1 TYR A 382 -3.357 -1.507 -3.865 1.00 15.00 H new ATOM 0 HD2 TYR A 382 -3.044 0.981 -0.431 1.00 15.00 H new ATOM 0 HE1 TYR A 382 -4.956 -2.946 -2.679 1.00 15.00 H new ATOM 0 HE2 TYR A 382 -4.631 -0.445 0.761 1.00 15.00 H new ATOM 0 HH TYR A 382 -5.472 -2.741 0.704 1.00 15.00 H new ATOM 269 N TYR A 383 0.346 0.030 -1.048 1.00 15.00 N ATOM 270 CA TYR A 383 0.806 -0.598 0.172 1.00 15.00 C ATOM 271 C TYR A 383 -0.005 -0.065 1.359 1.00 15.00 C ATOM 272 O TYR A 383 -0.224 1.143 1.476 1.00 15.00 O ATOM 273 CB TYR A 383 2.299 -0.329 0.349 1.00 15.00 C ATOM 274 CG TYR A 383 3.112 -0.692 -0.872 1.00 15.00 C ATOM 275 CD1 TYR A 383 3.387 -2.018 -1.183 1.00 15.00 C ATOM 276 CD2 TYR A 383 3.586 0.295 -1.729 1.00 15.00 C ATOM 277 CE1 TYR A 383 4.114 -2.348 -2.309 1.00 15.00 C ATOM 278 CE2 TYR A 383 4.310 -0.029 -2.859 1.00 15.00 C ATOM 279 CZ TYR A 383 4.572 -1.352 -3.143 1.00 15.00 C ATOM 280 OH TYR A 383 5.292 -1.685 -4.266 1.00 15.00 O ATOM 0 H TYR A 383 0.541 1.029 -1.106 1.00 15.00 H new ATOM 0 HA TYR A 383 0.659 -1.677 0.119 1.00 15.00 H new ATOM 0 HB2 TYR A 383 2.448 0.726 0.578 1.00 15.00 H new ATOM 0 HB3 TYR A 383 2.666 -0.896 1.205 1.00 15.00 H new ATOM 0 HD1 TYR A 383 3.026 -2.802 -0.534 1.00 15.00 H new ATOM 0 HD2 TYR A 383 3.384 1.333 -1.507 1.00 15.00 H new ATOM 0 HE1 TYR A 383 4.323 -3.383 -2.535 1.00 15.00 H new ATOM 0 HE2 TYR A 383 4.669 0.749 -3.516 1.00 15.00 H new ATOM 0 HH TYR A 383 5.336 -0.913 -4.868 1.00 15.00 H new ATOM 290 N VAL A 384 -0.441 -0.966 2.234 1.00 15.00 N ATOM 291 CA VAL A 384 -1.373 -0.618 3.306 1.00 15.00 C ATOM 292 C VAL A 384 -0.697 -0.661 4.653 1.00 15.00 C ATOM 293 O VAL A 384 -0.303 -1.724 5.104 1.00 15.00 O ATOM 294 CB VAL A 384 -2.532 -1.614 3.363 1.00 15.00 C ATOM 295 CG1 VAL A 384 -3.845 -0.907 3.601 1.00 15.00 C ATOM 296 CG2 VAL A 384 -2.559 -2.452 2.112 1.00 15.00 C ATOM 0 H VAL A 384 -0.163 -1.947 2.223 1.00 15.00 H new ATOM 0 HA VAL A 384 -1.732 0.388 3.089 1.00 15.00 H new ATOM 0 HB VAL A 384 -2.378 -2.284 4.209 1.00 15.00 H new ATOM 0 HG11 VAL A 384 -4.651 -1.640 3.637 1.00 15.00 H new ATOM 0 HG12 VAL A 384 -3.802 -0.368 4.548 1.00 15.00 H new ATOM 0 HG13 VAL A 384 -4.031 -0.202 2.791 1.00 15.00 H new ATOM 0 HG21 VAL A 384 -3.388 -3.157 2.164 1.00 15.00 H new ATOM 0 HG22 VAL A 384 -2.687 -1.806 1.244 1.00 15.00 H new ATOM 0 HG23 VAL A 384 -1.621 -3.001 2.021 1.00 15.00 H new ATOM 306 N ASN A 385 -0.599 0.465 5.325 1.00 15.00 N ATOM 307 CA ASN A 385 0.101 0.491 6.594 1.00 15.00 C ATOM 308 C ASN A 385 -0.862 0.350 7.775 1.00 15.00 C ATOM 309 O ASN A 385 -1.747 1.179 7.929 1.00 15.00 O ATOM 310 CB ASN A 385 0.864 1.793 6.766 1.00 15.00 C ATOM 311 CG ASN A 385 1.672 1.772 8.040 1.00 15.00 C ATOM 312 OD1 ASN A 385 2.117 0.584 8.420 1.00 15.00 O flip ATOM 313 ND2 ASN A 385 1.897 2.795 8.674 1.00 15.00 N flip ATOM 0 H ASN A 385 -0.986 1.359 5.023 1.00 15.00 H new ATOM 0 HA ASN A 385 0.790 -0.353 6.583 1.00 15.00 H new ATOM 0 HB2 ASN A 385 1.524 1.949 5.913 1.00 15.00 H new ATOM 0 HB3 ASN A 385 0.166 2.630 6.786 1.00 15.00 H new ATOM 0 HD21 ASN A 385 1.534 3.690 8.344 1.00 15.00 H new ATOM 0 HD22 ASN A 385 2.447 2.753 9.532 1.00 15.00 H new ATOM 320 N HIS A 386 -0.666 -0.662 8.634 1.00 15.00 N ATOM 321 CA HIS A 386 -1.572 -0.894 9.772 1.00 15.00 C ATOM 322 C HIS A 386 -1.149 -0.037 10.935 1.00 15.00 C ATOM 323 O HIS A 386 -1.868 0.149 11.911 1.00 15.00 O ATOM 324 CB HIS A 386 -1.595 -2.380 10.193 1.00 15.00 C ATOM 325 CG HIS A 386 -1.429 -3.285 9.027 1.00 15.00 C ATOM 326 ND1 HIS A 386 -1.719 -2.844 7.774 1.00 15.00 N ATOM 327 CD2 HIS A 386 -0.824 -4.482 8.876 1.00 15.00 C ATOM 328 CE1 HIS A 386 -1.285 -3.687 6.901 1.00 15.00 C ATOM 329 NE2 HIS A 386 -0.744 -4.711 7.530 1.00 15.00 N ATOM 0 H HIS A 386 0.104 -1.328 8.565 1.00 15.00 H new ATOM 0 HA HIS A 386 -2.581 -0.625 9.460 1.00 15.00 H new ATOM 0 HB2 HIS A 386 -0.799 -2.566 10.914 1.00 15.00 H new ATOM 0 HB3 HIS A 386 -2.537 -2.602 10.694 1.00 15.00 H new ATOM 0 HD2 HIS A 386 -0.472 -5.132 9.664 1.00 15.00 H new ATOM 0 HE1 HIS A 386 -1.353 -3.573 5.829 1.00 15.00 H new ATOM 0 HE2 HIS A 386 -0.335 -5.534 7.088 1.00 15.00 H new ATOM 338 N ASN A 387 0.050 0.462 10.798 1.00 15.00 N ATOM 339 CA ASN A 387 0.741 1.135 11.854 1.00 15.00 C ATOM 340 C ASN A 387 0.357 2.614 11.901 1.00 15.00 C ATOM 341 O ASN A 387 0.453 3.263 12.944 1.00 15.00 O ATOM 342 CB ASN A 387 2.224 0.923 11.588 1.00 15.00 C ATOM 343 CG ASN A 387 3.120 1.420 12.709 1.00 15.00 C ATOM 344 OD1 ASN A 387 3.585 2.559 12.691 1.00 15.00 O ATOM 345 ND2 ASN A 387 3.351 0.572 13.699 1.00 15.00 N ATOM 0 H ASN A 387 0.581 0.409 9.929 1.00 15.00 H new ATOM 0 HA ASN A 387 0.474 0.738 12.833 1.00 15.00 H new ATOM 0 HB2 ASN A 387 2.408 -0.140 11.431 1.00 15.00 H new ATOM 0 HB3 ASN A 387 2.495 1.433 10.664 1.00 15.00 H new ATOM 0 HD21 ASN A 387 3.934 0.854 14.487 1.00 15.00 H new ATOM 0 HD22 ASN A 387 2.946 -0.364 13.674 1.00 15.00 H new ATOM 352 N ASN A 388 -0.073 3.136 10.756 1.00 15.00 N ATOM 353 CA ASN A 388 -0.565 4.509 10.668 1.00 15.00 C ATOM 354 C ASN A 388 -2.017 4.527 10.183 1.00 15.00 C ATOM 355 O ASN A 388 -2.698 5.547 10.285 1.00 15.00 O ATOM 356 CB ASN A 388 0.320 5.347 9.731 1.00 15.00 C ATOM 357 CG ASN A 388 -0.053 6.823 9.725 1.00 15.00 C ATOM 358 OD1 ASN A 388 0.419 7.598 10.557 1.00 15.00 O ATOM 359 ND2 ASN A 388 -0.877 7.229 8.771 1.00 15.00 N ATOM 0 H ASN A 388 -0.091 2.627 9.872 1.00 15.00 H new ATOM 0 HA ASN A 388 -0.524 4.949 11.664 1.00 15.00 H new ATOM 0 HB2 ASN A 388 1.362 5.242 10.034 1.00 15.00 H new ATOM 0 HB3 ASN A 388 0.241 4.954 8.717 1.00 15.00 H new ATOM 0 HD21 ASN A 388 -1.140 8.213 8.709 1.00 15.00 H new ATOM 0 HD22 ASN A 388 -1.249 6.558 8.099 1.00 15.00 H new ATOM 366 N ARG A 389 -2.471 3.387 9.645 1.00 15.00 N ATOM 367 CA ARG A 389 -3.809 3.262 9.051 1.00 15.00 C ATOM 368 C ARG A 389 -3.866 3.991 7.714 1.00 15.00 C ATOM 369 O ARG A 389 -4.467 5.058 7.598 1.00 15.00 O ATOM 370 CB ARG A 389 -4.917 3.762 9.989 1.00 15.00 C ATOM 371 CG ARG A 389 -4.962 3.039 11.327 1.00 15.00 C ATOM 372 CD ARG A 389 -6.139 3.497 12.175 1.00 15.00 C ATOM 373 NE ARG A 389 -6.080 4.922 12.492 1.00 15.00 N ATOM 374 CZ ARG A 389 -6.978 5.553 13.247 1.00 15.00 C ATOM 375 NH1 ARG A 389 -8.020 4.896 13.742 1.00 15.00 N1+ ATOM 376 NH2 ARG A 389 -6.838 6.845 13.495 1.00 15.00 N ATOM 0 H ARG A 389 -1.923 2.528 9.609 1.00 15.00 H new ATOM 0 HA ARG A 389 -3.990 2.200 8.886 1.00 15.00 H new ATOM 0 HB2 ARG A 389 -4.776 4.828 10.167 1.00 15.00 H new ATOM 0 HB3 ARG A 389 -5.880 3.647 9.492 1.00 15.00 H new ATOM 0 HG2 ARG A 389 -5.032 1.964 11.158 1.00 15.00 H new ATOM 0 HG3 ARG A 389 -4.033 3.217 11.868 1.00 15.00 H new ATOM 0 HD2 ARG A 389 -7.068 3.284 11.646 1.00 15.00 H new ATOM 0 HD3 ARG A 389 -6.160 2.923 13.101 1.00 15.00 H new ATOM 0 HE ARG A 389 -5.305 5.466 12.113 1.00 15.00 H new ATOM 0 HH11 ARG A 389 -8.137 3.902 13.545 1.00 15.00 H new ATOM 0 HH12 ARG A 389 -8.704 5.385 14.319 1.00 15.00 H new ATOM 0 HH21 ARG A 389 -6.044 7.355 13.108 1.00 15.00 H new ATOM 0 HH22 ARG A 389 -7.524 7.331 14.073 1.00 15.00 H new ATOM 390 N THR A 390 -3.182 3.442 6.714 1.00 15.00 N ATOM 391 CA THR A 390 -3.010 4.148 5.455 1.00 15.00 C ATOM 392 C THR A 390 -3.083 3.212 4.233 1.00 15.00 C ATOM 393 O THR A 390 -2.711 2.043 4.323 1.00 15.00 O ATOM 394 CB THR A 390 -1.642 4.887 5.476 1.00 15.00 C ATOM 395 OG1 THR A 390 -1.689 5.979 6.403 1.00 15.00 O ATOM 396 CG2 THR A 390 -1.205 5.392 4.103 1.00 15.00 C ATOM 0 H THR A 390 -2.744 2.522 6.752 1.00 15.00 H new ATOM 0 HA THR A 390 -3.831 4.858 5.355 1.00 15.00 H new ATOM 0 HB THR A 390 -0.899 4.155 5.791 1.00 15.00 H new ATOM 0 HG1 THR A 390 -0.887 6.532 6.298 1.00 15.00 H new ATOM 0 HG21 THR A 390 -0.243 5.897 4.190 1.00 15.00 H new ATOM 0 HG22 THR A 390 -1.111 4.549 3.418 1.00 15.00 H new ATOM 0 HG23 THR A 390 -1.948 6.091 3.719 1.00 15.00 H new ATOM 404 N THR A 391 -3.565 3.743 3.097 1.00 15.00 N ATOM 405 CA THR A 391 -3.604 3.028 1.832 1.00 15.00 C ATOM 406 C THR A 391 -3.099 3.969 0.721 1.00 15.00 C ATOM 407 O THR A 391 -3.724 4.996 0.450 1.00 15.00 O ATOM 408 CB THR A 391 -5.044 2.556 1.526 1.00 15.00 C ATOM 409 OG1 THR A 391 -5.164 2.190 0.157 1.00 15.00 O ATOM 410 CG2 THR A 391 -6.071 3.630 1.861 1.00 15.00 C ATOM 0 H THR A 391 -3.940 4.690 3.041 1.00 15.00 H new ATOM 0 HA THR A 391 -2.966 2.146 1.886 1.00 15.00 H new ATOM 0 HB THR A 391 -5.243 1.688 2.154 1.00 15.00 H new ATOM 0 HG1 THR A 391 -4.790 1.294 0.024 1.00 15.00 H new ATOM 0 HG21 THR A 391 -7.071 3.261 1.632 1.00 15.00 H new ATOM 0 HG22 THR A 391 -6.008 3.875 2.921 1.00 15.00 H new ATOM 0 HG23 THR A 391 -5.870 4.523 1.269 1.00 15.00 H new ATOM 418 N THR A 392 -1.948 3.671 0.113 1.00 15.00 N ATOM 419 CA THR A 392 -1.298 4.663 -0.733 1.00 15.00 C ATOM 420 C THR A 392 -0.473 4.054 -1.878 1.00 15.00 C ATOM 421 O THR A 392 0.034 2.935 -1.762 1.00 15.00 O ATOM 422 CB THR A 392 -0.417 5.569 0.138 1.00 15.00 C ATOM 423 OG1 THR A 392 0.023 6.710 -0.613 1.00 15.00 O ATOM 424 CG2 THR A 392 0.785 4.807 0.685 1.00 15.00 C ATOM 0 H THR A 392 -1.462 2.777 0.189 1.00 15.00 H new ATOM 0 HA THR A 392 -2.088 5.242 -1.212 1.00 15.00 H new ATOM 0 HB THR A 392 -1.017 5.909 0.982 1.00 15.00 H new ATOM 0 HG1 THR A 392 0.146 7.472 -0.009 1.00 15.00 H new ATOM 0 HG21 THR A 392 1.391 5.474 1.298 1.00 15.00 H new ATOM 0 HG22 THR A 392 0.440 3.970 1.292 1.00 15.00 H new ATOM 0 HG23 THR A 392 1.385 4.431 -0.144 1.00 15.00 H new ATOM 432 N TRP A 393 -0.371 4.798 -2.995 1.00 15.00 N ATOM 433 CA TRP A 393 0.461 4.388 -4.136 1.00 15.00 C ATOM 434 C TRP A 393 1.946 4.594 -3.836 1.00 15.00 C ATOM 435 O TRP A 393 2.808 3.978 -4.466 1.00 15.00 O ATOM 436 CB TRP A 393 0.143 5.202 -5.409 1.00 15.00 C ATOM 437 CG TRP A 393 -1.294 5.218 -5.844 1.00 15.00 C ATOM 438 CD1 TRP A 393 -1.984 6.291 -6.335 1.00 15.00 C ATOM 439 CD2 TRP A 393 -2.210 4.121 -5.856 1.00 15.00 C ATOM 440 NE1 TRP A 393 -3.270 5.927 -6.633 1.00 15.00 N ATOM 441 CE2 TRP A 393 -3.433 4.602 -6.347 1.00 15.00 C ATOM 442 CE3 TRP A 393 -2.116 2.785 -5.495 1.00 15.00 C ATOM 443 CZ2 TRP A 393 -4.550 3.787 -6.485 1.00 15.00 C ATOM 444 CZ3 TRP A 393 -3.226 1.974 -5.633 1.00 15.00 C ATOM 445 CH2 TRP A 393 -4.430 2.479 -6.121 1.00 15.00 C ATOM 0 H TRP A 393 -0.855 5.686 -3.129 1.00 15.00 H new ATOM 0 HA TRP A 393 0.237 3.334 -4.302 1.00 15.00 H new ATOM 0 HB2 TRP A 393 0.463 6.231 -5.246 1.00 15.00 H new ATOM 0 HB3 TRP A 393 0.744 4.807 -6.228 1.00 15.00 H new ATOM 0 HD1 TRP A 393 -1.575 7.281 -6.468 1.00 15.00 H new ATOM 0 HE1 TRP A 393 -3.989 6.545 -7.008 1.00 15.00 H new ATOM 0 HE3 TRP A 393 -1.189 2.385 -5.112 1.00 15.00 H new ATOM 0 HZ2 TRP A 393 -5.482 4.177 -6.868 1.00 15.00 H new ATOM 0 HZ3 TRP A 393 -3.160 0.932 -5.358 1.00 15.00 H new ATOM 0 HH2 TRP A 393 -5.283 1.822 -6.212 1.00 15.00 H new ATOM 456 N THR A 394 2.240 5.502 -2.914 1.00 15.00 N ATOM 457 CA THR A 394 3.616 5.895 -2.637 1.00 15.00 C ATOM 458 C THR A 394 4.368 4.795 -1.893 1.00 15.00 C ATOM 459 O THR A 394 3.775 4.006 -1.151 1.00 15.00 O ATOM 460 CB THR A 394 3.700 7.227 -1.849 1.00 15.00 C ATOM 461 OG1 THR A 394 5.058 7.692 -1.803 1.00 15.00 O ATOM 462 CG2 THR A 394 3.181 7.074 -0.427 1.00 15.00 C ATOM 0 H THR A 394 1.543 5.981 -2.344 1.00 15.00 H new ATOM 0 HA THR A 394 4.093 6.052 -3.605 1.00 15.00 H new ATOM 0 HB THR A 394 3.074 7.951 -2.370 1.00 15.00 H new ATOM 0 HG1 THR A 394 5.099 8.535 -1.304 1.00 15.00 H new ATOM 0 HG21 THR A 394 3.257 8.029 0.093 1.00 15.00 H new ATOM 0 HG22 THR A 394 2.139 6.756 -0.452 1.00 15.00 H new ATOM 0 HG23 THR A 394 3.775 6.327 0.099 1.00 15.00 H new ATOM 470 N ARG A 395 5.677 4.740 -2.109 1.00 15.00 N ATOM 471 CA ARG A 395 6.508 3.747 -1.457 1.00 15.00 C ATOM 472 C ARG A 395 6.599 4.062 0.030 1.00 15.00 C ATOM 473 O ARG A 395 6.668 5.227 0.425 1.00 15.00 O ATOM 474 CB ARG A 395 7.911 3.739 -2.075 1.00 15.00 C ATOM 475 CG ARG A 395 7.971 3.160 -3.478 1.00 15.00 C ATOM 476 CD ARG A 395 7.625 1.681 -3.478 1.00 15.00 C ATOM 477 NE ARG A 395 7.829 1.070 -4.793 1.00 15.00 N ATOM 478 CZ ARG A 395 8.102 -0.224 -4.985 1.00 15.00 C ATOM 479 NH1 ARG A 395 8.244 -1.037 -3.942 1.00 15.00 N1+ ATOM 480 NH2 ARG A 395 8.241 -0.702 -6.219 1.00 15.00 N ATOM 0 H ARG A 395 6.181 5.372 -2.731 1.00 15.00 H new ATOM 0 HA ARG A 395 6.062 2.762 -1.594 1.00 15.00 H new ATOM 0 HB2 ARG A 395 8.291 4.760 -2.099 1.00 15.00 H new ATOM 0 HB3 ARG A 395 8.577 3.167 -1.429 1.00 15.00 H new ATOM 0 HG2 ARG A 395 7.279 3.698 -4.126 1.00 15.00 H new ATOM 0 HG3 ARG A 395 8.970 3.302 -3.890 1.00 15.00 H new ATOM 0 HD2 ARG A 395 8.239 1.165 -2.739 1.00 15.00 H new ATOM 0 HD3 ARG A 395 6.586 1.552 -3.175 1.00 15.00 H new ATOM 0 HE ARG A 395 7.758 1.670 -5.615 1.00 15.00 H new ATOM 0 HH11 ARG A 395 8.145 -0.673 -2.994 1.00 15.00 H new ATOM 0 HH12 ARG A 395 8.452 -2.025 -4.090 1.00 15.00 H new ATOM 0 HH21 ARG A 395 8.139 -0.080 -7.021 1.00 15.00 H new ATOM 0 HH22 ARG A 395 8.449 -1.690 -6.363 1.00 15.00 H new ATOM 494 N PRO A 396 6.629 3.023 0.869 1.00 15.00 N ATOM 495 CA PRO A 396 6.549 3.174 2.322 1.00 15.00 C ATOM 496 C PRO A 396 7.793 3.811 2.921 1.00 15.00 C ATOM 497 O PRO A 396 8.912 3.325 2.749 1.00 15.00 O ATOM 498 CB PRO A 396 6.419 1.729 2.824 1.00 15.00 C ATOM 499 CG PRO A 396 6.009 0.945 1.626 1.00 15.00 C ATOM 500 CD PRO A 396 6.688 1.613 0.473 1.00 15.00 C ATOM 0 HA PRO A 396 5.725 3.828 2.607 1.00 15.00 H new ATOM 0 HB2 PRO A 396 7.363 1.365 3.231 1.00 15.00 H new ATOM 0 HB3 PRO A 396 5.678 1.652 3.620 1.00 15.00 H new ATOM 0 HG2 PRO A 396 6.315 -0.098 1.713 1.00 15.00 H new ATOM 0 HG3 PRO A 396 4.926 0.950 1.503 1.00 15.00 H new ATOM 0 HD2 PRO A 396 7.713 1.266 0.345 1.00 15.00 H new ATOM 0 HD3 PRO A 396 6.170 1.430 -0.469 1.00 15.00 H new ATOM 508 N ILE A 397 7.575 4.911 3.630 1.00 15.00 N ATOM 509 CA ILE A 397 8.641 5.626 4.321 1.00 15.00 C ATOM 510 C ILE A 397 9.121 4.848 5.544 1.00 15.00 C ATOM 511 O ILE A 397 10.139 5.178 6.143 1.00 15.00 O ATOM 512 CB ILE A 397 8.211 7.053 4.753 1.00 15.00 C ATOM 513 CG1 ILE A 397 7.048 7.023 5.767 1.00 15.00 C ATOM 514 CG2 ILE A 397 7.839 7.883 3.532 1.00 15.00 C ATOM 515 CD1 ILE A 397 5.695 6.674 5.176 1.00 15.00 C ATOM 0 H ILE A 397 6.653 5.333 3.742 1.00 15.00 H new ATOM 0 HA ILE A 397 9.459 5.721 3.607 1.00 15.00 H new ATOM 0 HB ILE A 397 9.061 7.518 5.252 1.00 15.00 H new ATOM 0 HG12 ILE A 397 7.285 6.300 6.548 1.00 15.00 H new ATOM 0 HG13 ILE A 397 6.978 7.999 6.247 1.00 15.00 H new ATOM 0 HG21 ILE A 397 7.539 8.882 3.849 1.00 15.00 H new ATOM 0 HG22 ILE A 397 8.699 7.956 2.866 1.00 15.00 H new ATOM 0 HG23 ILE A 397 7.012 7.406 3.006 1.00 15.00 H new ATOM 0 HD11 ILE A 397 4.942 6.678 5.964 1.00 15.00 H new ATOM 0 HD12 ILE A 397 5.429 7.409 4.416 1.00 15.00 H new ATOM 0 HD13 ILE A 397 5.741 5.684 4.722 1.00 15.00 H new ATOM 527 N MET A 398 8.385 3.792 5.896 1.00 15.00 N ATOM 528 CA MET A 398 8.700 2.973 7.078 1.00 15.00 C ATOM 529 C MET A 398 9.824 2.044 6.852 1.00 15.00 C ATOM 530 O MET A 398 10.368 1.340 7.699 1.00 15.00 O ATOM 531 CB MET A 398 7.484 2.302 7.721 1.00 15.00 C ATOM 532 CG MET A 398 6.300 3.229 7.933 1.00 15.00 C ATOM 533 SD MET A 398 6.710 4.671 8.934 1.00 15.00 S ATOM 534 CE MET A 398 5.108 5.461 9.059 1.00 15.00 C ATOM 0 H MET A 398 7.563 3.479 5.380 1.00 15.00 H new ATOM 0 HA MET A 398 9.044 3.687 7.826 1.00 15.00 H new ATOM 0 HB2 MET A 398 7.170 1.468 7.094 1.00 15.00 H new ATOM 0 HB3 MET A 398 7.780 1.884 8.683 1.00 15.00 H new ATOM 0 HG2 MET A 398 5.926 3.560 6.964 1.00 15.00 H new ATOM 0 HG3 MET A 398 5.493 2.676 8.414 1.00 15.00 H new ATOM 0 HE1 MET A 398 5.203 6.390 9.621 1.00 15.00 H new ATOM 0 HE2 MET A 398 4.731 5.679 8.060 1.00 15.00 H new ATOM 0 HE3 MET A 398 4.413 4.796 9.572 1.00 15.00 H new ATOM 544 N GLN A 399 10.068 2.126 5.675 1.00 15.00 N ATOM 545 CA GLN A 399 10.943 1.247 4.911 1.00 15.00 C ATOM 546 C GLN A 399 12.193 2.003 4.459 1.00 15.00 C ATOM 547 O GLN A 399 13.205 1.403 4.099 1.00 15.00 O ATOM 548 CB GLN A 399 10.163 0.671 3.715 1.00 15.00 C ATOM 549 CG GLN A 399 10.925 -0.325 2.848 1.00 15.00 C ATOM 550 CD GLN A 399 11.723 0.333 1.732 1.00 15.00 C ATOM 551 OE1 GLN A 399 11.255 1.479 1.251 1.00 15.00 O flip ATOM 552 NE2 GLN A 399 12.750 -0.186 1.303 1.00 15.00 N flip ATOM 0 H GLN A 399 9.657 2.858 5.095 1.00 15.00 H new ATOM 0 HA GLN A 399 11.275 0.419 5.538 1.00 15.00 H new ATOM 0 HB2 GLN A 399 9.264 0.184 4.092 1.00 15.00 H new ATOM 0 HB3 GLN A 399 9.837 1.498 3.085 1.00 15.00 H new ATOM 0 HG2 GLN A 399 11.603 -0.901 3.479 1.00 15.00 H new ATOM 0 HG3 GLN A 399 10.218 -1.031 2.412 1.00 15.00 H new ATOM 0 HE21 GLN A 399 13.079 -1.067 1.697 1.00 15.00 H new ATOM 0 HE22 GLN A 399 13.274 0.264 0.552 1.00 15.00 H new ATOM 561 N LEU A 400 12.122 3.327 4.494 1.00 15.00 N ATOM 562 CA LEU A 400 13.229 4.157 4.055 1.00 15.00 C ATOM 563 C LEU A 400 13.657 5.090 5.181 1.00 15.00 C ATOM 564 O LEU A 400 13.253 6.270 5.176 1.00 15.00 O ATOM 565 CB LEU A 400 12.828 4.960 2.813 1.00 15.00 C ATOM 566 CG LEU A 400 13.946 5.805 2.195 1.00 15.00 C ATOM 567 CD1 LEU A 400 15.098 4.919 1.743 1.00 15.00 C ATOM 568 CD2 LEU A 400 13.410 6.621 1.029 1.00 15.00 C ATOM 569 OXT LEU A 400 14.375 4.627 6.091 1.00 15.00 O ATOM 0 H LEU A 400 11.308 3.847 4.822 1.00 15.00 H new ATOM 0 HA LEU A 400 14.072 3.517 3.793 1.00 15.00 H new ATOM 0 HB2 LEU A 400 12.457 4.268 2.057 1.00 15.00 H new ATOM 0 HB3 LEU A 400 12.000 5.618 3.077 1.00 15.00 H new ATOM 0 HG LEU A 400 14.320 6.492 2.954 1.00 15.00 H new ATOM 0 HD11 LEU A 400 15.883 5.537 1.307 1.00 15.00 H new ATOM 0 HD12 LEU A 400 15.498 4.377 2.600 1.00 15.00 H new ATOM 0 HD13 LEU A 400 14.740 4.208 0.998 1.00 15.00 H new ATOM 0 HD21 LEU A 400 14.216 7.216 0.600 1.00 15.00 H new ATOM 0 HD22 LEU A 400 13.010 5.950 0.269 1.00 15.00 H new ATOM 0 HD23 LEU A 400 12.618 7.282 1.381 1.00 15.00 H new TER 581 LEU A 400 ATOM 582 N GLU B 178 -6.373 8.553 -12.508 1.00 15.00 N ATOM 583 CA GLU B 178 -6.237 7.273 -11.773 1.00 15.00 C ATOM 584 C GLU B 178 -7.275 7.209 -10.664 1.00 15.00 C ATOM 585 O GLU B 178 -7.376 8.145 -9.875 1.00 15.00 O ATOM 586 CB GLU B 178 -4.847 7.159 -11.119 1.00 15.00 C ATOM 587 CG GLU B 178 -3.721 7.882 -11.844 1.00 15.00 C ATOM 588 CD GLU B 178 -3.548 7.432 -13.279 1.00 15.00 C ATOM 589 OE1 GLU B 178 -4.211 8.014 -14.165 1.00 15.00 O1- ATOM 590 OE2 GLU B 178 -2.759 6.500 -13.531 1.00 15.00 O ATOM 0 HA GLU B 178 -6.376 6.462 -12.487 1.00 15.00 H new ATOM 0 HB2 GLU B 178 -4.910 7.548 -10.103 1.00 15.00 H new ATOM 0 HB3 GLU B 178 -4.587 6.103 -11.041 1.00 15.00 H new ATOM 0 HG2 GLU B 178 -3.917 8.954 -11.828 1.00 15.00 H new ATOM 0 HG3 GLU B 178 -2.788 7.720 -11.305 1.00 15.00 H new HETATM 599 N TPO B 179 -8.046 6.129 -10.589 1.00 15.00 N HETATM 600 CA TPO B 179 -8.917 5.933 -9.437 1.00 15.00 C HETATM 601 CB TPO B 179 -10.059 4.922 -9.709 1.00 15.00 C HETATM 602 CG2 TPO B 179 -11.412 5.553 -9.421 1.00 15.00 C HETATM 603 OG1 TPO B 179 -10.030 4.460 -11.068 1.00 15.00 O HETATM 604 P TPO B 179 -8.907 3.465 -11.674 1.00 15.00 P HETATM 605 O1P TPO B 179 -8.009 3.033 -10.600 1.00 15.00 O HETATM 606 O2P TPO B 179 -8.164 4.211 -12.680 1.00 15.00 O HETATM 607 O3P TPO B 179 -9.555 2.310 -12.293 1.00 15.00 O HETATM 608 C TPO B 179 -8.088 5.432 -8.261 1.00 15.00 C HETATM 609 O TPO B 179 -7.442 4.386 -8.338 1.00 15.00 O HETATM 0 HG23 TPO B 179 -11.455 5.861 -8.376 1.00 15.00 H new HETATM 0 HG22 TPO B 179 -11.551 6.424 -10.062 1.00 15.00 H new HETATM 0 HG21 TPO B 179 -12.201 4.827 -9.618 1.00 15.00 H new HETATM 0 HB TPO B 179 -9.908 4.071 -9.045 1.00 15.00 H new HETATM 0 HA TPO B 179 -9.377 6.896 -9.216 1.00 15.00 H new HETATM 0 H TPO B 179 -8.225 5.622 -11.456 1.00 15.00 H new ATOM 616 N PRO B 180 -8.061 6.194 -7.168 1.00 15.00 N ATOM 617 CA PRO B 180 -7.350 5.849 -5.952 1.00 15.00 C ATOM 618 C PRO B 180 -7.453 4.505 -5.301 1.00 15.00 C ATOM 619 O PRO B 180 -8.248 3.621 -5.641 1.00 15.00 O ATOM 620 CB PRO B 180 -7.904 6.896 -5.005 1.00 15.00 C ATOM 621 CG PRO B 180 -7.538 7.979 -5.851 1.00 15.00 C ATOM 622 CD PRO B 180 -8.359 7.638 -7.084 1.00 15.00 C ATOM 0 HA PRO B 180 -6.290 5.814 -6.205 1.00 15.00 H new ATOM 0 HB2 PRO B 180 -8.976 6.813 -4.829 1.00 15.00 H new ATOM 0 HB3 PRO B 180 -7.421 6.912 -4.028 1.00 15.00 H new ATOM 0 HG2 PRO B 180 -7.804 8.947 -5.427 1.00 15.00 H new ATOM 0 HG3 PRO B 180 -6.468 8.004 -6.057 1.00 15.00 H new ATOM 0 HD2 PRO B 180 -9.422 7.842 -6.952 1.00 15.00 H new ATOM 0 HD3 PRO B 180 -8.037 8.187 -7.969 1.00 15.00 H new ATOM 630 N PRO B 181 -6.551 4.418 -4.310 1.00 15.00 N ATOM 631 CA PRO B 181 -6.293 3.246 -3.485 1.00 15.00 C ATOM 632 C PRO B 181 -7.549 2.609 -2.897 1.00 15.00 C ATOM 633 O PRO B 181 -8.454 3.296 -2.414 1.00 15.00 O ATOM 634 CB PRO B 181 -5.407 3.803 -2.356 1.00 15.00 C ATOM 635 CG PRO B 181 -5.425 5.297 -2.500 1.00 15.00 C ATOM 636 CD PRO B 181 -5.699 5.571 -3.907 1.00 15.00 C ATOM 0 HA PRO B 181 -5.841 2.448 -4.073 1.00 15.00 H new ATOM 0 HB2 PRO B 181 -5.788 3.502 -1.380 1.00 15.00 H new ATOM 0 HB3 PRO B 181 -4.390 3.418 -2.434 1.00 15.00 H new ATOM 0 HG2 PRO B 181 -6.190 5.740 -1.862 1.00 15.00 H new ATOM 0 HG3 PRO B 181 -4.470 5.728 -2.199 1.00 15.00 H new ATOM 0 HD2 PRO B 181 -6.216 6.521 -4.040 1.00 15.00 H new ATOM 0 HD3 PRO B 181 -4.782 5.621 -4.495 1.00 15.00 H new ATOM 644 N PRO B 182 -7.597 1.273 -2.930 1.00 15.00 N ATOM 645 CA PRO B 182 -8.609 0.491 -2.221 1.00 15.00 C ATOM 646 C PRO B 182 -8.372 0.573 -0.714 1.00 15.00 C ATOM 647 O PRO B 182 -7.235 0.734 -0.283 1.00 15.00 O ATOM 648 CB PRO B 182 -8.391 -0.943 -2.731 1.00 15.00 C ATOM 649 CG PRO B 182 -7.504 -0.812 -3.925 1.00 15.00 C ATOM 650 CD PRO B 182 -6.678 0.413 -3.684 1.00 15.00 C ATOM 0 HA PRO B 182 -9.625 0.845 -2.396 1.00 15.00 H new ATOM 0 HB2 PRO B 182 -7.929 -1.566 -1.965 1.00 15.00 H new ATOM 0 HB3 PRO B 182 -9.338 -1.414 -2.995 1.00 15.00 H new ATOM 0 HG2 PRO B 182 -6.873 -1.693 -4.042 1.00 15.00 H new ATOM 0 HG3 PRO B 182 -8.090 -0.716 -4.839 1.00 15.00 H new ATOM 0 HD2 PRO B 182 -5.775 0.188 -3.116 1.00 15.00 H new ATOM 0 HD3 PRO B 182 -6.360 0.878 -4.617 1.00 15.00 H new ATOM 658 N GLY B 183 -9.445 0.472 0.065 1.00 15.00 N ATOM 659 CA GLY B 183 -9.389 0.722 1.503 1.00 15.00 C ATOM 660 C GLY B 183 -8.264 0.014 2.257 1.00 15.00 C ATOM 661 O GLY B 183 -7.646 -0.931 1.764 1.00 15.00 O ATOM 0 H GLY B 183 -10.371 0.217 -0.278 1.00 15.00 H new ATOM 0 HA2 GLY B 183 -9.289 1.796 1.663 1.00 15.00 H new ATOM 0 HA3 GLY B 183 -10.340 0.422 1.942 1.00 15.00 H new ATOM 665 N TYR B 184 -8.049 0.468 3.487 1.00 15.00 N ATOM 666 CA TYR B 184 -6.949 0.005 4.329 1.00 15.00 C ATOM 667 C TYR B 184 -7.324 -1.215 5.201 1.00 15.00 C ATOM 668 O TYR B 184 -8.384 -1.239 5.830 1.00 15.00 O ATOM 669 CB TYR B 184 -6.444 1.187 5.189 1.00 15.00 C ATOM 670 CG TYR B 184 -5.899 0.783 6.535 1.00 15.00 C ATOM 671 CD1 TYR B 184 -4.662 0.185 6.678 1.00 15.00 C ATOM 672 CD2 TYR B 184 -6.660 1.002 7.675 1.00 15.00 C ATOM 673 CE1 TYR B 184 -4.198 -0.183 7.922 1.00 15.00 C ATOM 674 CE2 TYR B 184 -6.203 0.639 8.919 1.00 15.00 C ATOM 675 CZ TYR B 184 -4.972 0.046 9.039 1.00 15.00 C ATOM 676 OH TYR B 184 -4.506 -0.312 10.280 1.00 15.00 O ATOM 0 H TYR B 184 -8.637 1.173 3.932 1.00 15.00 H new ATOM 0 HA TYR B 184 -6.148 -0.345 3.678 1.00 15.00 H new ATOM 0 HB2 TYR B 184 -5.666 1.716 4.638 1.00 15.00 H new ATOM 0 HB3 TYR B 184 -7.264 1.890 5.337 1.00 15.00 H new ATOM 0 HD1 TYR B 184 -4.052 0.004 5.805 1.00 15.00 H new ATOM 0 HD2 TYR B 184 -7.630 1.467 7.582 1.00 15.00 H new ATOM 0 HE1 TYR B 184 -3.229 -0.650 8.022 1.00 15.00 H new ATOM 0 HE2 TYR B 184 -6.808 0.819 9.795 1.00 15.00 H new ATOM 0 HH TYR B 184 -5.264 -0.463 10.883 1.00 15.00 H new ATOM 686 N LEU B 185 -6.415 -2.216 5.238 1.00 15.00 N ATOM 687 CA LEU B 185 -6.606 -3.466 5.982 1.00 15.00 C ATOM 688 C LEU B 185 -7.812 -4.232 5.522 1.00 15.00 C ATOM 689 O LEU B 185 -8.567 -4.810 6.307 1.00 15.00 O ATOM 690 CB LEU B 185 -6.596 -3.271 7.487 1.00 15.00 C ATOM 691 CG LEU B 185 -5.225 -3.404 8.117 1.00 15.00 C ATOM 692 CD1 LEU B 185 -5.311 -3.260 9.627 1.00 15.00 C ATOM 693 CD2 LEU B 185 -4.603 -4.742 7.747 1.00 15.00 C ATOM 0 H LEU B 185 -5.523 -2.171 4.745 1.00 15.00 H new ATOM 0 HA LEU B 185 -5.736 -4.080 5.750 1.00 15.00 H new ATOM 0 HB2 LEU B 185 -6.996 -2.284 7.718 1.00 15.00 H new ATOM 0 HB3 LEU B 185 -7.266 -4.001 7.942 1.00 15.00 H new ATOM 0 HG LEU B 185 -4.591 -2.605 7.733 1.00 15.00 H new ATOM 0 HD11 LEU B 185 -4.315 -3.359 10.059 1.00 15.00 H new ATOM 0 HD12 LEU B 185 -5.719 -2.281 9.876 1.00 15.00 H new ATOM 0 HD13 LEU B 185 -5.960 -4.037 10.030 1.00 15.00 H new ATOM 0 HD21 LEU B 185 -3.618 -4.825 8.206 1.00 15.00 H new ATOM 0 HD22 LEU B 185 -5.240 -5.551 8.106 1.00 15.00 H new ATOM 0 HD23 LEU B 185 -4.505 -4.811 6.664 1.00 15.00 H new ATOM 705 N SER B 186 -7.944 -4.253 4.232 1.00 15.00 N ATOM 706 CA SER B 186 -8.804 -5.170 3.564 1.00 15.00 C ATOM 707 C SER B 186 -8.122 -5.489 2.253 1.00 15.00 C ATOM 708 O SER B 186 -8.181 -4.714 1.296 1.00 15.00 O ATOM 709 CB SER B 186 -10.175 -4.534 3.372 1.00 15.00 C ATOM 710 OG SER B 186 -11.043 -5.352 2.603 1.00 15.00 O ATOM 0 H SER B 186 -7.446 -3.620 3.605 1.00 15.00 H new ATOM 0 HA SER B 186 -8.971 -6.087 4.129 1.00 15.00 H new ATOM 0 HB2 SER B 186 -10.625 -4.345 4.346 1.00 15.00 H new ATOM 0 HB3 SER B 186 -10.060 -3.568 2.881 1.00 15.00 H new ATOM 0 HG SER B 186 -11.911 -4.907 2.506 1.00 15.00 H new ATOM 716 N GLU B 187 -7.450 -6.621 2.228 1.00 15.00 N ATOM 717 CA GLU B 187 -6.514 -6.916 1.168 1.00 15.00 C ATOM 718 C GLU B 187 -6.783 -8.282 0.570 1.00 15.00 C ATOM 719 O GLU B 187 -6.562 -9.312 1.208 1.00 15.00 O ATOM 720 CB GLU B 187 -5.060 -6.815 1.681 1.00 15.00 C ATOM 721 CG GLU B 187 -4.504 -5.398 1.716 1.00 15.00 C ATOM 722 CD GLU B 187 -5.014 -4.579 2.891 1.00 15.00 C ATOM 723 OE1 GLU B 187 -4.686 -4.928 4.047 1.00 15.00 O ATOM 724 OE2 GLU B 187 -5.722 -3.575 2.668 1.00 15.00 O1- ATOM 0 H GLU B 187 -7.536 -7.353 2.933 1.00 15.00 H new ATOM 0 HA GLU B 187 -6.650 -6.175 0.381 1.00 15.00 H new ATOM 0 HB2 GLU B 187 -5.011 -7.237 2.685 1.00 15.00 H new ATOM 0 HB3 GLU B 187 -4.420 -7.428 1.047 1.00 15.00 H new ATOM 0 HG2 GLU B 187 -3.416 -5.443 1.759 1.00 15.00 H new ATOM 0 HG3 GLU B 187 -4.765 -4.890 0.788 1.00 15.00 H new ATOM 731 N ASP B 188 -7.301 -8.273 -0.648 1.00 15.00 N ATOM 732 CA ASP B 188 -7.547 -9.497 -1.392 1.00 15.00 C ATOM 733 C ASP B 188 -6.224 -10.121 -1.806 1.00 15.00 C ATOM 734 O ASP B 188 -5.524 -9.600 -2.678 1.00 15.00 O ATOM 735 CB ASP B 188 -8.403 -9.212 -2.631 1.00 15.00 C ATOM 736 CG ASP B 188 -9.728 -8.553 -2.295 1.00 15.00 C ATOM 737 OD1 ASP B 188 -9.730 -7.353 -1.950 1.00 15.00 O1- ATOM 738 OD2 ASP B 188 -10.771 -9.226 -2.386 1.00 15.00 O ATOM 0 H ASP B 188 -7.561 -7.422 -1.146 1.00 15.00 H new ATOM 0 HA ASP B 188 -8.089 -10.193 -0.751 1.00 15.00 H new ATOM 0 HB2 ASP B 188 -7.845 -8.569 -3.311 1.00 15.00 H new ATOM 0 HB3 ASP B 188 -8.592 -10.147 -3.159 1.00 15.00 H new ATOM 743 N GLY B 189 -5.871 -11.209 -1.148 1.00 15.00 N ATOM 744 CA GLY B 189 -4.618 -11.873 -1.417 1.00 15.00 C ATOM 745 C GLY B 189 -4.834 -13.325 -1.753 1.00 15.00 C ATOM 746 O GLY B 189 -3.982 -13.917 -2.449 1.00 15.00 O ATOM 747 OXT GLY B 189 -5.878 -13.874 -1.345 1.00 15.00 O ATOM 0 H GLY B 189 -6.438 -11.649 -0.423 1.00 15.00 H new ATOM 0 HA2 GLY B 189 -4.110 -11.377 -2.244 1.00 15.00 H new ATOM 0 HA3 GLY B 189 -3.966 -11.791 -0.548 1.00 15.00 H new TER 751 GLY B 189