USER MOD reduce.3.24.130724 H: found=0, std=0, add=347, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 276 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 265 ASN : amide:sc= -3.53! C(o=-8!,f=-6.3!) USER MOD Set 1.2: A 269 ASN : amide:sc= -4.43! C(o=-8!,f=-6.3!) USER MOD Set 2.1: A 255 LYS NZ :NH3+ -156:sc= 0.00371 (180deg=0) USER MOD Set 2.2: A 259 GLN : amide:sc= -1.68! K(o=-1.7!,f=-0.03) USER MOD Set 3.1: A 250 HIS : no HD1:sc= -0.356! C(o=0.035!,f=-3.5!) USER MOD Set 3.2: A 251 LYS NZ :NH3+ 168:sc= 0.391 (180deg=0) USER MOD Single : A 252 GLN : amide:sc= -0.297 X(o=-0.3,f=-0.066) USER MOD Single : A 253 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 256 SER OG : rot 139:sc= -0.0506 USER MOD Single : A 270 HIS : no HD1:sc= -11! C(o=-11!,f=-7!) USER MOD Single : A 271 MET CE :methyl -150:sc= 0 (180deg=-0.000532) USER MOD Single : A 272 LYS NZ :NH3+ -132:sc= 0.509 (180deg=-0.0717) USER MOD Single : A 275 THR OG1 : rot -81:sc= 0.149 USER MOD Single : A 276 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 279 SER OG : rot 40:sc= 0.266 USER MOD Single : A 280 TYR OH : rot 165:sc= -0.157 USER MOD Single : A 281 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 282 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 285 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 286 TYR OH : rot 30:sc= -1.49! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 248 -2.117 -14.341 7.698 1.00 0.00 N ATOM 2 CA GLY A 248 -3.238 -13.809 8.523 1.00 0.00 C ATOM 3 C GLY A 248 -3.642 -12.431 8.012 1.00 0.00 C ATOM 4 O GLY A 248 -4.799 -12.204 7.657 1.00 0.00 O ATOM 0 HA2 GLY A 248 -4.089 -14.488 8.478 1.00 0.00 H new ATOM 0 HA3 GLY A 248 -2.935 -13.746 9.568 1.00 0.00 H new ATOM 10 N ILE A 249 -2.681 -11.513 7.976 1.00 0.00 N ATOM 11 CA ILE A 249 -2.950 -10.159 7.505 1.00 0.00 C ATOM 12 C ILE A 249 -3.090 -10.141 5.986 1.00 0.00 C ATOM 13 O ILE A 249 -4.103 -9.688 5.452 1.00 0.00 O ATOM 14 CB ILE A 249 -1.816 -9.225 7.936 1.00 0.00 C ATOM 15 CG1 ILE A 249 -1.698 -8.064 6.944 1.00 0.00 C ATOM 16 CG2 ILE A 249 -0.498 -10.003 7.968 1.00 0.00 C ATOM 17 CD1 ILE A 249 -0.754 -7.003 7.511 1.00 0.00 C ATOM 0 H ILE A 249 -1.717 -11.680 8.265 1.00 0.00 H new ATOM 0 HA ILE A 249 -3.886 -9.815 7.945 1.00 0.00 H new ATOM 0 HB ILE A 249 -2.032 -8.831 8.929 1.00 0.00 H new ATOM 0 HG12 ILE A 249 -1.322 -8.426 5.987 1.00 0.00 H new ATOM 0 HG13 ILE A 249 -2.680 -7.630 6.757 1.00 0.00 H new ATOM 0 HG21 ILE A 249 0.310 -9.338 8.275 1.00 0.00 H new ATOM 0 HG22 ILE A 249 -0.579 -10.827 8.677 1.00 0.00 H new ATOM 0 HG23 ILE A 249 -0.285 -10.399 6.975 1.00 0.00 H new ATOM 0 HD11 ILE A 249 -0.670 -6.177 6.805 1.00 0.00 H new ATOM 0 HD12 ILE A 249 -1.149 -6.633 8.457 1.00 0.00 H new ATOM 0 HD13 ILE A 249 0.230 -7.442 7.675 1.00 0.00 H new ATOM 23 N HIS A 250 -2.068 -10.636 5.295 1.00 0.00 N ATOM 24 CA HIS A 250 -2.089 -10.670 3.836 1.00 0.00 C ATOM 25 C HIS A 250 -3.474 -11.062 3.332 1.00 0.00 C ATOM 26 O HIS A 250 -3.908 -10.615 2.270 1.00 0.00 O ATOM 27 CB HIS A 250 -1.053 -11.670 3.322 1.00 0.00 C ATOM 28 CG HIS A 250 -0.154 -12.086 4.453 1.00 0.00 C ATOM 29 ND1 HIS A 250 -0.552 -13.000 5.417 1.00 0.00 N ATOM 30 CD2 HIS A 250 1.126 -11.721 4.788 1.00 0.00 C ATOM 31 CE1 HIS A 250 0.472 -13.153 6.277 1.00 0.00 C ATOM 32 NE2 HIS A 250 1.520 -12.396 5.941 1.00 0.00 N ATOM 0 H HIS A 250 -1.221 -11.016 5.717 1.00 0.00 H new ATOM 0 HA HIS A 250 -1.847 -9.675 3.463 1.00 0.00 H new ATOM 0 HB2 HIS A 250 -1.552 -12.542 2.900 1.00 0.00 H new ATOM 0 HB3 HIS A 250 -0.465 -11.221 2.522 1.00 0.00 H new ATOM 0 HD2 HIS A 250 1.735 -11.017 4.241 1.00 0.00 H new ATOM 0 HE1 HIS A 250 0.449 -13.809 7.135 1.00 0.00 H new ATOM 0 HE2 HIS A 250 2.416 -12.327 6.424 1.00 0.00 H new ATOM 40 N LYS A 251 -4.162 -11.900 4.099 1.00 0.00 N ATOM 41 CA LYS A 251 -5.498 -12.346 3.720 1.00 0.00 C ATOM 42 C LYS A 251 -6.502 -11.207 3.856 1.00 0.00 C ATOM 43 O LYS A 251 -6.823 -10.531 2.879 1.00 0.00 O ATOM 44 CB LYS A 251 -5.930 -13.518 4.605 1.00 0.00 C ATOM 45 CG LYS A 251 -5.158 -14.778 4.205 1.00 0.00 C ATOM 46 CD LYS A 251 -3.862 -14.861 5.013 1.00 0.00 C ATOM 47 CE LYS A 251 -2.983 -15.982 4.453 1.00 0.00 C ATOM 48 NZ LYS A 251 -1.876 -15.390 3.649 1.00 0.00 N ATOM 0 H LYS A 251 -3.820 -12.282 4.981 1.00 0.00 H new ATOM 0 HA LYS A 251 -5.470 -12.669 2.679 1.00 0.00 H new ATOM 0 HB2 LYS A 251 -5.744 -13.283 5.653 1.00 0.00 H new ATOM 0 HB3 LYS A 251 -7.002 -13.688 4.502 1.00 0.00 H new ATOM 0 HG2 LYS A 251 -5.768 -15.663 4.384 1.00 0.00 H new ATOM 0 HG3 LYS A 251 -4.933 -14.756 3.139 1.00 0.00 H new ATOM 0 HD2 LYS A 251 -3.331 -13.910 4.967 1.00 0.00 H new ATOM 0 HD3 LYS A 251 -4.087 -15.050 6.063 1.00 0.00 H new ATOM 0 HE2 LYS A 251 -2.575 -16.581 5.268 1.00 0.00 H new ATOM 0 HE3 LYS A 251 -3.580 -16.651 3.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 251 -1.169 -16.123 3.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 251 -2.258 -15.012 2.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 251 -1.428 -14.621 4.188 1.00 0.00 H new ATOM 62 N GLN A 252 -6.997 -11.000 5.072 1.00 0.00 N ATOM 63 CA GLN A 252 -7.968 -9.941 5.321 1.00 0.00 C ATOM 64 C GLN A 252 -7.278 -8.686 5.848 1.00 0.00 C ATOM 65 O GLN A 252 -6.505 -8.745 6.805 1.00 0.00 O ATOM 66 CB GLN A 252 -9.010 -10.416 6.336 1.00 0.00 C ATOM 67 CG GLN A 252 -10.211 -9.468 6.319 1.00 0.00 C ATOM 68 CD GLN A 252 -10.507 -8.977 7.732 1.00 0.00 C ATOM 69 OE1 GLN A 252 -11.660 -8.979 8.162 1.00 0.00 O ATOM 70 NE2 GLN A 252 -9.528 -8.552 8.482 1.00 0.00 N ATOM 0 H GLN A 252 -6.744 -11.547 5.895 1.00 0.00 H new ATOM 0 HA GLN A 252 -8.460 -9.700 4.379 1.00 0.00 H new ATOM 0 HB2 GLN A 252 -9.331 -11.430 6.096 1.00 0.00 H new ATOM 0 HB3 GLN A 252 -8.573 -10.448 7.334 1.00 0.00 H new ATOM 0 HG2 GLN A 252 -10.006 -8.620 5.666 1.00 0.00 H new ATOM 0 HG3 GLN A 252 -11.083 -9.980 5.913 1.00 0.00 H new ATOM 0 HE21 GLN A 252 -8.573 -8.552 8.123 1.00 0.00 H new ATOM 0 HE22 GLN A 252 -9.717 -8.220 9.428 1.00 0.00 H new ATOM 79 N LYS A 253 -7.568 -7.551 5.220 1.00 0.00 N ATOM 80 CA LYS A 253 -6.977 -6.285 5.637 1.00 0.00 C ATOM 81 C LYS A 253 -7.987 -5.153 5.485 1.00 0.00 C ATOM 82 O LYS A 253 -9.080 -5.352 4.955 1.00 0.00 O ATOM 83 CB LYS A 253 -5.732 -5.982 4.796 1.00 0.00 C ATOM 84 CG LYS A 253 -6.118 -5.899 3.317 1.00 0.00 C ATOM 85 CD LYS A 253 -5.154 -4.960 2.585 1.00 0.00 C ATOM 86 CE LYS A 253 -3.819 -5.670 2.358 1.00 0.00 C ATOM 87 NZ LYS A 253 -2.701 -4.700 2.538 1.00 0.00 N ATOM 0 H LYS A 253 -8.204 -7.482 4.426 1.00 0.00 H new ATOM 0 HA LYS A 253 -6.690 -6.366 6.686 1.00 0.00 H new ATOM 0 HB2 LYS A 253 -5.283 -5.042 5.118 1.00 0.00 H new ATOM 0 HB3 LYS A 253 -4.983 -6.760 4.944 1.00 0.00 H new ATOM 0 HG2 LYS A 253 -6.087 -6.891 2.867 1.00 0.00 H new ATOM 0 HG3 LYS A 253 -7.141 -5.536 3.218 1.00 0.00 H new ATOM 0 HD2 LYS A 253 -5.582 -4.655 1.630 1.00 0.00 H new ATOM 0 HD3 LYS A 253 -5.000 -4.053 3.169 1.00 0.00 H new ATOM 0 HE2 LYS A 253 -3.712 -6.498 3.059 1.00 0.00 H new ATOM 0 HE3 LYS A 253 -3.787 -6.095 1.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 253 -1.793 -5.184 2.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 253 -2.801 -3.924 1.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 253 -2.728 -4.315 3.504 1.00 0.00 H new ATOM 101 N GLU A 254 -7.615 -3.965 5.952 1.00 0.00 N ATOM 102 CA GLU A 254 -8.501 -2.809 5.861 1.00 0.00 C ATOM 103 C GLU A 254 -7.724 -1.518 6.093 1.00 0.00 C ATOM 104 O GLU A 254 -6.508 -1.539 6.278 1.00 0.00 O ATOM 105 CB GLU A 254 -9.627 -2.924 6.893 1.00 0.00 C ATOM 106 CG GLU A 254 -9.028 -3.187 8.276 1.00 0.00 C ATOM 107 CD GLU A 254 -10.002 -4.005 9.119 1.00 0.00 C ATOM 108 OE1 GLU A 254 -10.112 -5.195 8.874 1.00 0.00 O ATOM 109 OE2 GLU A 254 -10.623 -3.429 9.997 1.00 0.00 O ATOM 0 H GLU A 254 -6.715 -3.778 6.393 1.00 0.00 H new ATOM 0 HA GLU A 254 -8.931 -2.786 4.860 1.00 0.00 H new ATOM 0 HB2 GLU A 254 -10.215 -2.007 6.908 1.00 0.00 H new ATOM 0 HB3 GLU A 254 -10.305 -3.733 6.619 1.00 0.00 H new ATOM 0 HG2 GLU A 254 -8.083 -3.721 8.177 1.00 0.00 H new ATOM 0 HG3 GLU A 254 -8.809 -2.242 8.773 1.00 0.00 H new ATOM 116 N LYS A 255 -8.436 -0.396 6.081 1.00 0.00 N ATOM 117 CA LYS A 255 -7.802 0.900 6.291 1.00 0.00 C ATOM 118 C LYS A 255 -7.061 0.924 7.623 1.00 0.00 C ATOM 119 O LYS A 255 -6.084 0.200 7.815 1.00 0.00 O ATOM 120 CB LYS A 255 -8.857 2.006 6.274 1.00 0.00 C ATOM 121 CG LYS A 255 -10.038 1.597 7.156 1.00 0.00 C ATOM 122 CD LYS A 255 -10.750 2.850 7.669 1.00 0.00 C ATOM 123 CE LYS A 255 -12.264 2.664 7.550 1.00 0.00 C ATOM 124 NZ LYS A 255 -12.944 3.963 7.815 1.00 0.00 N ATOM 0 H LYS A 255 -9.444 -0.357 5.929 1.00 0.00 H new ATOM 0 HA LYS A 255 -7.086 1.068 5.486 1.00 0.00 H new ATOM 0 HB2 LYS A 255 -8.426 2.940 6.635 1.00 0.00 H new ATOM 0 HB3 LYS A 255 -9.196 2.184 5.254 1.00 0.00 H new ATOM 0 HG2 LYS A 255 -10.733 0.978 6.588 1.00 0.00 H new ATOM 0 HG3 LYS A 255 -9.688 0.996 7.995 1.00 0.00 H new ATOM 0 HD2 LYS A 255 -10.477 3.036 8.708 1.00 0.00 H new ATOM 0 HD3 LYS A 255 -10.434 3.721 7.095 1.00 0.00 H new ATOM 0 HE2 LYS A 255 -12.520 2.303 6.554 1.00 0.00 H new ATOM 0 HE3 LYS A 255 -12.606 1.910 8.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 255 -13.918 3.786 8.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 255 -12.426 4.482 8.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 255 -12.964 4.529 6.943 1.00 0.00 H new ATOM 138 N SER A 256 -7.532 1.762 8.541 1.00 0.00 N ATOM 139 CA SER A 256 -6.904 1.871 9.853 1.00 0.00 C ATOM 140 C SER A 256 -7.954 2.129 10.929 1.00 0.00 C ATOM 141 O SER A 256 -9.062 2.579 10.635 1.00 0.00 O ATOM 142 CB SER A 256 -5.883 3.008 9.850 1.00 0.00 C ATOM 143 OG SER A 256 -6.401 4.107 10.587 1.00 0.00 O ATOM 0 H SER A 256 -8.339 2.370 8.403 1.00 0.00 H new ATOM 0 HA SER A 256 -6.398 0.931 10.073 1.00 0.00 H new ATOM 0 HB2 SER A 256 -4.945 2.670 10.290 1.00 0.00 H new ATOM 0 HB3 SER A 256 -5.664 3.313 8.827 1.00 0.00 H new ATOM 0 HG SER A 256 -5.689 4.497 11.136 1.00 0.00 H new ATOM 149 N ARG A 257 -7.599 1.841 12.177 1.00 0.00 N ATOM 150 CA ARG A 257 -8.521 2.045 13.288 1.00 0.00 C ATOM 151 C ARG A 257 -8.443 3.484 13.792 1.00 0.00 C ATOM 152 O ARG A 257 -9.466 4.147 13.957 1.00 0.00 O ATOM 153 CB ARG A 257 -8.187 1.078 14.426 1.00 0.00 C ATOM 154 CG ARG A 257 -8.158 -0.352 13.882 1.00 0.00 C ATOM 155 CD ARG A 257 -8.483 -1.337 15.006 1.00 0.00 C ATOM 156 NE ARG A 257 -7.779 -2.596 14.786 1.00 0.00 N ATOM 157 CZ ARG A 257 -8.344 -3.764 15.076 1.00 0.00 C ATOM 158 NH1 ARG A 257 -9.549 -3.805 15.576 1.00 0.00 N ATOM 159 NH2 ARG A 257 -7.690 -4.874 14.861 1.00 0.00 N ATOM 0 H ARG A 257 -6.687 1.469 12.443 1.00 0.00 H new ATOM 0 HA ARG A 257 -9.535 1.853 12.937 1.00 0.00 H new ATOM 0 HB2 ARG A 257 -7.222 1.333 14.863 1.00 0.00 H new ATOM 0 HB3 ARG A 257 -8.929 1.162 15.220 1.00 0.00 H new ATOM 0 HG2 ARG A 257 -8.880 -0.458 13.072 1.00 0.00 H new ATOM 0 HG3 ARG A 257 -7.176 -0.573 13.464 1.00 0.00 H new ATOM 0 HD2 ARG A 257 -8.194 -0.913 15.967 1.00 0.00 H new ATOM 0 HD3 ARG A 257 -9.558 -1.514 15.046 1.00 0.00 H new ATOM 0 HE ARG A 257 -6.834 -2.580 14.402 1.00 0.00 H new ATOM 0 HH11 ARG A 257 -10.061 -2.939 15.746 1.00 0.00 H new ATOM 0 HH12 ARG A 257 -9.979 -4.703 15.797 1.00 0.00 H new ATOM 0 HH21 ARG A 257 -6.748 -4.844 14.471 1.00 0.00 H new ATOM 0 HH22 ARG A 257 -8.121 -5.771 15.083 1.00 0.00 H new ATOM 173 N LEU A 258 -7.226 3.961 14.029 1.00 0.00 N ATOM 174 CA LEU A 258 -7.036 5.326 14.509 1.00 0.00 C ATOM 175 C LEU A 258 -7.119 6.314 13.350 1.00 0.00 C ATOM 176 O LEU A 258 -6.548 6.085 12.284 1.00 0.00 O ATOM 177 CB LEU A 258 -5.675 5.455 15.195 1.00 0.00 C ATOM 178 CG LEU A 258 -5.652 6.729 16.043 1.00 0.00 C ATOM 179 CD1 LEU A 258 -5.668 6.356 17.526 1.00 0.00 C ATOM 180 CD2 LEU A 258 -4.384 7.528 15.732 1.00 0.00 C ATOM 0 H LEU A 258 -6.365 3.430 13.899 1.00 0.00 H new ATOM 0 HA LEU A 258 -7.825 5.553 15.226 1.00 0.00 H new ATOM 0 HB2 LEU A 258 -5.488 4.584 15.823 1.00 0.00 H new ATOM 0 HB3 LEU A 258 -4.881 5.487 14.449 1.00 0.00 H new ATOM 0 HG LEU A 258 -6.528 7.334 15.811 1.00 0.00 H new ATOM 0 HD11 LEU A 258 -5.652 7.263 18.130 1.00 0.00 H new ATOM 0 HD12 LEU A 258 -6.571 5.788 17.749 1.00 0.00 H new ATOM 0 HD13 LEU A 258 -4.792 5.750 17.758 1.00 0.00 H new ATOM 0 HD21 LEU A 258 -4.368 8.435 16.336 1.00 0.00 H new ATOM 0 HD22 LEU A 258 -3.507 6.923 15.963 1.00 0.00 H new ATOM 0 HD23 LEU A 258 -4.373 7.796 14.675 1.00 0.00 H new ATOM 186 N GLN A 259 -7.833 7.414 13.566 1.00 0.00 N ATOM 187 CA GLN A 259 -7.984 8.427 12.529 1.00 0.00 C ATOM 188 C GLN A 259 -7.891 9.830 13.121 1.00 0.00 C ATOM 189 O GLN A 259 -8.217 10.048 14.287 1.00 0.00 O ATOM 190 CB GLN A 259 -9.333 8.256 11.828 1.00 0.00 C ATOM 191 CG GLN A 259 -9.527 6.786 11.457 1.00 0.00 C ATOM 192 CD GLN A 259 -10.951 6.556 10.963 1.00 0.00 C ATOM 193 OE1 GLN A 259 -11.217 5.569 10.277 1.00 0.00 O ATOM 194 NE2 GLN A 259 -11.886 7.411 11.273 1.00 0.00 N ATOM 0 H GLN A 259 -8.312 7.625 14.441 1.00 0.00 H new ATOM 0 HA GLN A 259 -7.177 8.300 11.807 1.00 0.00 H new ATOM 0 HB2 GLN A 259 -10.140 8.588 12.481 1.00 0.00 H new ATOM 0 HB3 GLN A 259 -9.372 8.877 10.933 1.00 0.00 H new ATOM 0 HG2 GLN A 259 -8.814 6.501 10.683 1.00 0.00 H new ATOM 0 HG3 GLN A 259 -9.327 6.155 12.323 1.00 0.00 H new ATOM 0 HE21 GLN A 259 -11.662 8.228 11.842 1.00 0.00 H new ATOM 0 HE22 GLN A 259 -12.841 7.263 10.947 1.00 0.00 H new ATOM 203 N GLY A 260 -7.444 10.778 12.303 1.00 0.00 N ATOM 204 CA GLY A 260 -7.311 12.160 12.746 1.00 0.00 C ATOM 205 C GLY A 260 -7.266 13.106 11.551 1.00 0.00 C ATOM 206 O GLY A 260 -7.404 12.677 10.405 1.00 0.00 O ATOM 0 H GLY A 260 -7.169 10.615 11.334 1.00 0.00 H new ATOM 0 HA2 GLY A 260 -8.148 12.422 13.393 1.00 0.00 H new ATOM 0 HA3 GLY A 260 -6.403 12.271 13.339 1.00 0.00 H new ATOM 210 N GLY A 261 -7.068 14.391 11.823 1.00 0.00 N ATOM 211 CA GLY A 261 -7.005 15.383 10.757 1.00 0.00 C ATOM 212 C GLY A 261 -5.571 15.580 10.283 1.00 0.00 C ATOM 213 O GLY A 261 -4.641 15.622 11.087 1.00 0.00 O ATOM 0 H GLY A 261 -6.949 14.768 12.764 1.00 0.00 H new ATOM 0 HA2 GLY A 261 -7.628 15.065 9.921 1.00 0.00 H new ATOM 0 HA3 GLY A 261 -7.408 16.331 11.113 1.00 0.00 H new ATOM 217 N VAL A 262 -5.401 15.698 8.971 1.00 0.00 N ATOM 218 CA VAL A 262 -4.073 15.888 8.396 1.00 0.00 C ATOM 219 C VAL A 262 -3.178 16.663 9.357 1.00 0.00 C ATOM 220 O VAL A 262 -1.974 16.415 9.433 1.00 0.00 O ATOM 221 CB VAL A 262 -4.175 16.646 7.070 1.00 0.00 C ATOM 222 CG1 VAL A 262 -4.124 15.653 5.906 1.00 0.00 C ATOM 223 CG2 VAL A 262 -5.496 17.417 7.021 1.00 0.00 C ATOM 0 H VAL A 262 -6.159 15.666 8.289 1.00 0.00 H new ATOM 0 HA VAL A 262 -3.635 14.906 8.218 1.00 0.00 H new ATOM 0 HB VAL A 262 -3.342 17.344 6.989 1.00 0.00 H new ATOM 0 HG11 VAL A 262 -4.197 16.194 4.963 1.00 0.00 H new ATOM 0 HG12 VAL A 262 -3.183 15.103 5.937 1.00 0.00 H new ATOM 0 HG13 VAL A 262 -4.956 14.953 5.988 1.00 0.00 H new ATOM 0 HG21 VAL A 262 -5.568 17.956 6.077 1.00 0.00 H new ATOM 0 HG22 VAL A 262 -6.328 16.718 7.104 1.00 0.00 H new ATOM 0 HG23 VAL A 262 -5.534 18.126 7.848 1.00 0.00 H new ATOM 227 N LEU A 263 -3.768 17.601 10.089 1.00 0.00 N ATOM 228 CA LEU A 263 -3.004 18.401 11.038 1.00 0.00 C ATOM 229 C LEU A 263 -2.108 17.504 11.885 1.00 0.00 C ATOM 230 O LEU A 263 -0.883 17.608 11.829 1.00 0.00 O ATOM 231 CB LEU A 263 -3.949 19.192 11.946 1.00 0.00 C ATOM 232 CG LEU A 263 -3.526 20.663 11.968 1.00 0.00 C ATOM 233 CD1 LEU A 263 -4.289 21.397 13.072 1.00 0.00 C ATOM 234 CD2 LEU A 263 -2.022 20.758 12.239 1.00 0.00 C ATOM 0 H LEU A 263 -4.762 17.825 10.045 1.00 0.00 H new ATOM 0 HA LEU A 263 -2.381 19.099 10.478 1.00 0.00 H new ATOM 0 HB2 LEU A 263 -4.974 19.103 11.587 1.00 0.00 H new ATOM 0 HB3 LEU A 263 -3.928 18.782 12.956 1.00 0.00 H new ATOM 0 HG LEU A 263 -3.752 21.120 11.004 1.00 0.00 H new ATOM 0 HD11 LEU A 263 -3.988 22.444 13.088 1.00 0.00 H new ATOM 0 HD12 LEU A 263 -5.360 21.330 12.880 1.00 0.00 H new ATOM 0 HD13 LEU A 263 -4.064 20.940 14.036 1.00 0.00 H new ATOM 0 HD21 LEU A 263 -1.721 21.805 12.255 1.00 0.00 H new ATOM 0 HD22 LEU A 263 -1.796 20.301 13.202 1.00 0.00 H new ATOM 0 HD23 LEU A 263 -1.477 20.235 11.453 1.00 0.00 H new ATOM 240 N VAL A 264 -2.724 16.617 12.663 1.00 0.00 N ATOM 241 CA VAL A 264 -1.957 15.706 13.504 1.00 0.00 C ATOM 242 C VAL A 264 -0.799 15.119 12.710 1.00 0.00 C ATOM 243 O VAL A 264 0.282 14.880 13.249 1.00 0.00 O ATOM 244 CB VAL A 264 -2.847 14.573 14.012 1.00 0.00 C ATOM 245 CG1 VAL A 264 -3.255 13.678 12.841 1.00 0.00 C ATOM 246 CG2 VAL A 264 -2.068 13.747 15.039 1.00 0.00 C ATOM 0 H VAL A 264 -3.736 16.511 12.728 1.00 0.00 H new ATOM 0 HA VAL A 264 -1.570 16.265 14.356 1.00 0.00 H new ATOM 0 HB VAL A 264 -3.742 14.989 14.476 1.00 0.00 H new ATOM 0 HG11 VAL A 264 -3.890 12.870 13.205 1.00 0.00 H new ATOM 0 HG12 VAL A 264 -3.803 14.268 12.106 1.00 0.00 H new ATOM 0 HG13 VAL A 264 -2.363 13.258 12.376 1.00 0.00 H new ATOM 0 HG21 VAL A 264 -2.697 12.936 15.406 1.00 0.00 H new ATOM 0 HG22 VAL A 264 -1.176 13.331 14.570 1.00 0.00 H new ATOM 0 HG23 VAL A 264 -1.775 14.385 15.873 1.00 0.00 H new ATOM 250 N ASN A 265 -1.035 14.892 11.422 1.00 0.00 N ATOM 251 CA ASN A 265 -0.007 14.337 10.555 1.00 0.00 C ATOM 252 C ASN A 265 1.064 15.383 10.270 1.00 0.00 C ATOM 253 O ASN A 265 2.232 15.050 10.076 1.00 0.00 O ATOM 254 CB ASN A 265 -0.628 13.862 9.239 1.00 0.00 C ATOM 255 CG ASN A 265 0.337 12.932 8.514 1.00 0.00 C ATOM 256 OD1 ASN A 265 0.036 11.754 8.316 1.00 0.00 O ATOM 257 ND2 ASN A 265 1.486 13.391 8.105 1.00 0.00 N ATOM 0 H ASN A 265 -1.924 15.083 10.960 1.00 0.00 H new ATOM 0 HA ASN A 265 0.452 13.487 11.061 1.00 0.00 H new ATOM 0 HB2 ASN A 265 -1.567 13.344 9.436 1.00 0.00 H new ATOM 0 HB3 ASN A 265 -0.863 14.719 8.608 1.00 0.00 H new ATOM 0 HD21 ASN A 265 2.138 12.775 7.620 1.00 0.00 H new ATOM 0 HD22 ASN A 265 1.733 14.367 8.270 1.00 0.00 H new ATOM 264 N GLU A 266 0.658 16.652 10.252 1.00 0.00 N ATOM 265 CA GLU A 266 1.599 17.737 9.999 1.00 0.00 C ATOM 266 C GLU A 266 2.426 18.019 11.247 1.00 0.00 C ATOM 267 O GLU A 266 3.648 18.154 11.179 1.00 0.00 O ATOM 268 CB GLU A 266 0.856 19.006 9.590 1.00 0.00 C ATOM 269 CG GLU A 266 1.857 20.157 9.485 1.00 0.00 C ATOM 270 CD GLU A 266 1.158 21.411 8.968 1.00 0.00 C ATOM 271 OE1 GLU A 266 0.207 21.268 8.218 1.00 0.00 O ATOM 272 OE2 GLU A 266 1.585 22.496 9.329 1.00 0.00 O ATOM 0 H GLU A 266 -0.305 16.950 10.408 1.00 0.00 H new ATOM 0 HA GLU A 266 2.259 17.432 9.187 1.00 0.00 H new ATOM 0 HB2 GLU A 266 0.353 18.856 8.635 1.00 0.00 H new ATOM 0 HB3 GLU A 266 0.085 19.243 10.323 1.00 0.00 H new ATOM 0 HG2 GLU A 266 2.301 20.354 10.461 1.00 0.00 H new ATOM 0 HG3 GLU A 266 2.671 19.882 8.814 1.00 0.00 H new ATOM 279 N ILE A 267 1.752 18.101 12.387 1.00 0.00 N ATOM 280 CA ILE A 267 2.432 18.355 13.642 1.00 0.00 C ATOM 281 C ILE A 267 3.252 17.138 14.033 1.00 0.00 C ATOM 282 O ILE A 267 4.407 17.258 14.406 1.00 0.00 O ATOM 283 CB ILE A 267 1.418 18.676 14.744 1.00 0.00 C ATOM 284 CG1 ILE A 267 2.110 19.466 15.859 1.00 0.00 C ATOM 285 CG2 ILE A 267 0.858 17.374 15.321 1.00 0.00 C ATOM 286 CD1 ILE A 267 2.158 20.948 15.483 1.00 0.00 C ATOM 0 H ILE A 267 0.740 17.995 12.465 1.00 0.00 H new ATOM 0 HA ILE A 267 3.093 19.213 13.517 1.00 0.00 H new ATOM 0 HB ILE A 267 0.605 19.268 14.325 1.00 0.00 H new ATOM 0 HG12 ILE A 267 1.573 19.336 16.798 1.00 0.00 H new ATOM 0 HG13 ILE A 267 3.120 19.087 16.014 1.00 0.00 H new ATOM 0 HG21 ILE A 267 0.137 17.604 16.105 1.00 0.00 H new ATOM 0 HG22 ILE A 267 0.366 16.807 14.530 1.00 0.00 H new ATOM 0 HG23 ILE A 267 1.672 16.782 15.739 1.00 0.00 H new ATOM 0 HD11 ILE A 267 2.651 21.509 16.277 1.00 0.00 H new ATOM 0 HD12 ILE A 267 2.715 21.070 14.554 1.00 0.00 H new ATOM 0 HD13 ILE A 267 1.143 21.323 15.350 1.00 0.00 H new ATOM 292 N LEU A 268 2.654 15.959 13.944 1.00 0.00 N ATOM 293 CA LEU A 268 3.373 14.744 14.290 1.00 0.00 C ATOM 294 C LEU A 268 4.283 14.299 13.143 1.00 0.00 C ATOM 295 O LEU A 268 5.289 13.631 13.363 1.00 0.00 O ATOM 296 CB LEU A 268 2.399 13.628 14.651 1.00 0.00 C ATOM 297 CG LEU A 268 2.995 12.815 15.799 1.00 0.00 C ATOM 298 CD1 LEU A 268 4.379 12.309 15.387 1.00 0.00 C ATOM 299 CD2 LEU A 268 3.133 13.707 17.036 1.00 0.00 C ATOM 0 H LEU A 268 1.690 15.819 13.641 1.00 0.00 H new ATOM 0 HA LEU A 268 3.996 14.960 15.158 1.00 0.00 H new ATOM 0 HB2 LEU A 268 1.436 14.046 14.943 1.00 0.00 H new ATOM 0 HB3 LEU A 268 2.220 12.988 13.787 1.00 0.00 H new ATOM 0 HG LEU A 268 2.344 11.971 16.028 1.00 0.00 H new ATOM 0 HD11 LEU A 268 4.811 11.728 16.201 1.00 0.00 H new ATOM 0 HD12 LEU A 268 4.288 11.681 14.501 1.00 0.00 H new ATOM 0 HD13 LEU A 268 5.025 13.158 15.165 1.00 0.00 H new ATOM 0 HD21 LEU A 268 3.558 13.128 17.856 1.00 0.00 H new ATOM 0 HD22 LEU A 268 3.788 14.548 16.807 1.00 0.00 H new ATOM 0 HD23 LEU A 268 2.151 14.081 17.326 1.00 0.00 H new ATOM 305 N ASN A 269 3.909 14.675 11.923 1.00 0.00 N ATOM 306 CA ASN A 269 4.678 14.321 10.724 1.00 0.00 C ATOM 307 C ASN A 269 6.096 13.863 11.064 1.00 0.00 C ATOM 308 O ASN A 269 6.616 12.917 10.471 1.00 0.00 O ATOM 309 CB ASN A 269 4.765 15.542 9.806 1.00 0.00 C ATOM 310 CG ASN A 269 4.480 15.134 8.364 1.00 0.00 C ATOM 311 OD1 ASN A 269 3.554 14.365 8.107 1.00 0.00 O ATOM 312 ND2 ASN A 269 5.226 15.605 7.404 1.00 0.00 N ATOM 0 H ASN A 269 3.073 15.228 11.734 1.00 0.00 H new ATOM 0 HA ASN A 269 4.163 13.495 10.233 1.00 0.00 H new ATOM 0 HB2 ASN A 269 4.049 16.299 10.126 1.00 0.00 H new ATOM 0 HB3 ASN A 269 5.756 15.990 9.876 1.00 0.00 H new ATOM 0 HD21 ASN A 269 5.043 15.336 6.437 1.00 0.00 H new ATOM 0 HD22 ASN A 269 5.993 16.242 7.620 1.00 0.00 H new ATOM 319 N HIS A 270 6.715 14.555 12.005 1.00 0.00 N ATOM 320 CA HIS A 270 8.078 14.249 12.419 1.00 0.00 C ATOM 321 C HIS A 270 8.258 12.755 12.671 1.00 0.00 C ATOM 322 O HIS A 270 9.094 12.110 12.038 1.00 0.00 O ATOM 323 CB HIS A 270 8.412 15.044 13.682 1.00 0.00 C ATOM 324 CG HIS A 270 7.600 16.314 13.690 1.00 0.00 C ATOM 325 ND1 HIS A 270 7.339 17.021 14.852 1.00 0.00 N ATOM 326 CD2 HIS A 270 6.967 17.006 12.684 1.00 0.00 C ATOM 327 CE1 HIS A 270 6.577 18.080 14.517 1.00 0.00 C ATOM 328 NE2 HIS A 270 6.328 18.119 13.210 1.00 0.00 N ATOM 0 H HIS A 270 6.293 15.339 12.502 1.00 0.00 H new ATOM 0 HA HIS A 270 8.759 14.532 11.616 1.00 0.00 H new ATOM 0 HB2 HIS A 270 8.192 14.451 14.570 1.00 0.00 H new ATOM 0 HB3 HIS A 270 9.476 15.277 13.710 1.00 0.00 H new ATOM 0 HD2 HIS A 270 6.967 16.725 11.641 1.00 0.00 H new ATOM 0 HE1 HIS A 270 6.212 18.810 15.224 1.00 0.00 H new ATOM 0 HE2 HIS A 270 5.784 18.818 12.704 1.00 0.00 H new ATOM 336 N MET A 271 7.476 12.205 13.592 1.00 0.00 N ATOM 337 CA MET A 271 7.572 10.783 13.902 1.00 0.00 C ATOM 338 C MET A 271 6.450 10.010 13.214 1.00 0.00 C ATOM 339 O MET A 271 5.347 10.525 13.037 1.00 0.00 O ATOM 340 CB MET A 271 7.496 10.564 15.414 1.00 0.00 C ATOM 341 CG MET A 271 7.927 11.842 16.136 1.00 0.00 C ATOM 342 SD MET A 271 8.018 11.527 17.917 1.00 0.00 S ATOM 343 CE MET A 271 9.715 10.902 17.951 1.00 0.00 C ATOM 0 H MET A 271 6.776 12.714 14.132 1.00 0.00 H new ATOM 0 HA MET A 271 8.531 10.416 13.535 1.00 0.00 H new ATOM 0 HB2 MET A 271 6.480 10.295 15.703 1.00 0.00 H new ATOM 0 HB3 MET A 271 8.140 9.734 15.705 1.00 0.00 H new ATOM 0 HG2 MET A 271 8.897 12.173 15.764 1.00 0.00 H new ATOM 0 HG3 MET A 271 7.217 12.644 15.933 1.00 0.00 H new ATOM 0 HE1 MET A 271 9.821 10.182 18.762 1.00 0.00 H new ATOM 0 HE2 MET A 271 9.943 10.416 17.002 1.00 0.00 H new ATOM 0 HE3 MET A 271 10.405 11.731 18.109 1.00 0.00 H new ATOM 350 N LYS A 272 6.739 8.772 12.826 1.00 0.00 N ATOM 351 CA LYS A 272 5.742 7.942 12.158 1.00 0.00 C ATOM 352 C LYS A 272 5.450 6.690 12.976 1.00 0.00 C ATOM 353 O LYS A 272 6.304 6.208 13.719 1.00 0.00 O ATOM 354 CB LYS A 272 6.238 7.540 10.768 1.00 0.00 C ATOM 355 CG LYS A 272 5.118 6.814 10.020 1.00 0.00 C ATOM 356 CD LYS A 272 5.654 6.271 8.694 1.00 0.00 C ATOM 357 CE LYS A 272 6.503 5.027 8.959 1.00 0.00 C ATOM 358 NZ LYS A 272 6.668 4.258 7.693 1.00 0.00 N ATOM 0 H LYS A 272 7.646 8.325 12.961 1.00 0.00 H new ATOM 0 HA LYS A 272 4.824 8.522 12.061 1.00 0.00 H new ATOM 0 HB2 LYS A 272 6.549 8.424 10.211 1.00 0.00 H new ATOM 0 HB3 LYS A 272 7.111 6.894 10.854 1.00 0.00 H new ATOM 0 HG2 LYS A 272 4.730 5.997 10.629 1.00 0.00 H new ATOM 0 HG3 LYS A 272 4.288 7.496 9.836 1.00 0.00 H new ATOM 0 HD2 LYS A 272 4.827 6.025 8.028 1.00 0.00 H new ATOM 0 HD3 LYS A 272 6.251 7.032 8.192 1.00 0.00 H new ATOM 0 HE2 LYS A 272 7.478 5.316 9.351 1.00 0.00 H new ATOM 0 HE3 LYS A 272 6.027 4.404 9.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 272 6.464 3.253 7.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 272 6.011 4.625 6.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 272 7.645 4.358 7.351 1.00 0.00 H new ATOM 372 N ARG A 273 4.237 6.167 12.831 1.00 0.00 N ATOM 373 CA ARG A 273 3.838 4.969 13.560 1.00 0.00 C ATOM 374 C ARG A 273 4.867 3.859 13.367 1.00 0.00 C ATOM 375 O ARG A 273 6.017 3.986 13.788 1.00 0.00 O ATOM 376 CB ARG A 273 2.469 4.492 13.071 1.00 0.00 C ATOM 377 CG ARG A 273 1.454 5.629 13.215 1.00 0.00 C ATOM 378 CD ARG A 273 0.035 5.072 13.089 1.00 0.00 C ATOM 379 NE ARG A 273 -0.439 4.594 14.383 1.00 0.00 N ATOM 380 CZ ARG A 273 -0.726 5.441 15.366 1.00 0.00 C ATOM 381 NH1 ARG A 273 -0.584 6.727 15.183 1.00 0.00 N ATOM 382 NH2 ARG A 273 -1.151 4.989 16.514 1.00 0.00 N ATOM 0 H ARG A 273 3.517 6.551 12.219 1.00 0.00 H new ATOM 0 HA ARG A 273 3.778 5.213 14.621 1.00 0.00 H new ATOM 0 HB2 ARG A 273 2.532 4.176 12.030 1.00 0.00 H new ATOM 0 HB3 ARG A 273 2.146 3.626 13.648 1.00 0.00 H new ATOM 0 HG2 ARG A 273 1.578 6.120 14.180 1.00 0.00 H new ATOM 0 HG3 ARG A 273 1.628 6.384 12.448 1.00 0.00 H new ATOM 0 HD2 ARG A 273 -0.634 5.845 12.712 1.00 0.00 H new ATOM 0 HD3 ARG A 273 0.020 4.257 12.365 1.00 0.00 H new ATOM 0 HE ARG A 273 -0.552 3.592 14.536 1.00 0.00 H new ATOM 0 HH11 ARG A 273 -0.253 7.081 14.286 1.00 0.00 H new ATOM 0 HH12 ARG A 273 -0.804 7.377 15.938 1.00 0.00 H new ATOM 0 HH21 ARG A 273 -1.263 3.985 16.657 1.00 0.00 H new ATOM 0 HH22 ARG A 273 -1.371 5.639 17.268 1.00 0.00 H new ATOM 396 N ALA A 274 4.446 2.771 12.730 1.00 0.00 N ATOM 397 CA ALA A 274 5.342 1.644 12.489 1.00 0.00 C ATOM 398 C ALA A 274 6.380 2.001 11.430 1.00 0.00 C ATOM 399 O ALA A 274 6.052 2.155 10.254 1.00 0.00 O ATOM 400 CB ALA A 274 4.538 0.426 12.030 1.00 0.00 C ATOM 0 H ALA A 274 3.499 2.645 12.374 1.00 0.00 H new ATOM 0 HA ALA A 274 5.857 1.408 13.420 1.00 0.00 H new ATOM 0 HB1 ALA A 274 5.214 -0.410 11.852 1.00 0.00 H new ATOM 0 HB2 ALA A 274 3.818 0.153 12.802 1.00 0.00 H new ATOM 0 HB3 ALA A 274 4.008 0.666 11.108 1.00 0.00 H new ATOM 403 N THR A 275 7.634 2.128 11.855 1.00 0.00 N ATOM 404 CA THR A 275 8.711 2.465 10.931 1.00 0.00 C ATOM 405 C THR A 275 9.203 1.213 10.212 1.00 0.00 C ATOM 406 O THR A 275 9.883 1.298 9.189 1.00 0.00 O ATOM 407 CB THR A 275 9.872 3.110 11.693 1.00 0.00 C ATOM 408 OG1 THR A 275 9.797 2.748 13.066 1.00 0.00 O ATOM 409 CG2 THR A 275 9.789 4.632 11.561 1.00 0.00 C ATOM 0 H THR A 275 7.927 2.004 12.824 1.00 0.00 H new ATOM 0 HA THR A 275 8.328 3.170 10.193 1.00 0.00 H new ATOM 0 HB THR A 275 10.817 2.762 11.276 1.00 0.00 H new ATOM 0 HG1 THR A 275 9.146 3.322 13.521 1.00 0.00 H new ATOM 0 HG21 THR A 275 10.616 5.090 12.104 1.00 0.00 H new ATOM 0 HG22 THR A 275 9.848 4.910 10.509 1.00 0.00 H new ATOM 0 HG23 THR A 275 8.844 4.982 11.976 1.00 0.00 H new ATOM 414 N GLN A 276 8.854 0.052 10.756 1.00 0.00 N ATOM 415 CA GLN A 276 9.262 -1.214 10.160 1.00 0.00 C ATOM 416 C GLN A 276 8.713 -1.340 8.742 1.00 0.00 C ATOM 417 O GLN A 276 9.293 -2.024 7.899 1.00 0.00 O ATOM 418 CB GLN A 276 8.753 -2.378 11.012 1.00 0.00 C ATOM 419 CG GLN A 276 9.552 -3.640 10.684 1.00 0.00 C ATOM 420 CD GLN A 276 10.742 -3.760 11.630 1.00 0.00 C ATOM 421 OE1 GLN A 276 11.376 -2.759 11.961 1.00 0.00 O ATOM 422 NE2 GLN A 276 11.085 -4.933 12.085 1.00 0.00 N ATOM 0 H GLN A 276 8.293 -0.038 11.603 1.00 0.00 H new ATOM 0 HA GLN A 276 10.351 -1.242 10.119 1.00 0.00 H new ATOM 0 HB2 GLN A 276 8.852 -2.138 12.071 1.00 0.00 H new ATOM 0 HB3 GLN A 276 7.693 -2.546 10.821 1.00 0.00 H new ATOM 0 HG2 GLN A 276 8.914 -4.519 10.775 1.00 0.00 H new ATOM 0 HG3 GLN A 276 9.899 -3.603 9.651 1.00 0.00 H new ATOM 0 HE21 GLN A 276 10.558 -5.761 11.809 1.00 0.00 H new ATOM 0 HE22 GLN A 276 11.881 -5.022 12.717 1.00 0.00 H new ATOM 431 N ILE A 277 7.590 -0.677 8.487 1.00 0.00 N ATOM 432 CA ILE A 277 6.969 -0.721 7.168 1.00 0.00 C ATOM 433 C ILE A 277 7.180 0.602 6.431 1.00 0.00 C ATOM 434 O ILE A 277 6.520 1.597 6.731 1.00 0.00 O ATOM 435 CB ILE A 277 5.466 -0.998 7.310 1.00 0.00 C ATOM 436 CG1 ILE A 277 5.224 -2.512 7.327 1.00 0.00 C ATOM 437 CG2 ILE A 277 4.707 -0.376 6.134 1.00 0.00 C ATOM 438 CD1 ILE A 277 5.700 -3.132 6.010 1.00 0.00 C ATOM 0 H ILE A 277 7.094 -0.106 9.171 1.00 0.00 H new ATOM 0 HA ILE A 277 7.434 -1.521 6.592 1.00 0.00 H new ATOM 0 HB ILE A 277 5.109 -0.558 8.241 1.00 0.00 H new ATOM 0 HG12 ILE A 277 5.755 -2.964 8.165 1.00 0.00 H new ATOM 0 HG13 ILE A 277 4.164 -2.718 7.473 1.00 0.00 H new ATOM 0 HG21 ILE A 277 3.641 -0.577 6.242 1.00 0.00 H new ATOM 0 HG22 ILE A 277 4.874 0.701 6.122 1.00 0.00 H new ATOM 0 HG23 ILE A 277 5.065 -0.809 5.200 1.00 0.00 H new ATOM 0 HD11 ILE A 277 5.525 -4.208 6.030 1.00 0.00 H new ATOM 0 HD12 ILE A 277 5.149 -2.690 5.180 1.00 0.00 H new ATOM 0 HD13 ILE A 277 6.765 -2.940 5.882 1.00 0.00 H new ATOM 444 N PRO A 278 8.067 0.632 5.469 1.00 0.00 N ATOM 445 CA PRO A 278 8.333 1.859 4.676 1.00 0.00 C ATOM 446 C PRO A 278 7.247 2.061 3.629 1.00 0.00 C ATOM 447 O PRO A 278 6.438 2.984 3.722 1.00 0.00 O ATOM 448 CB PRO A 278 9.691 1.589 4.027 1.00 0.00 C ATOM 449 CG PRO A 278 9.819 0.101 3.953 1.00 0.00 C ATOM 450 CD PRO A 278 8.908 -0.494 5.033 1.00 0.00 C ATOM 0 HA PRO A 278 8.338 2.767 5.279 1.00 0.00 H new ATOM 0 HB2 PRO A 278 9.746 2.036 3.034 1.00 0.00 H new ATOM 0 HB3 PRO A 278 10.499 2.022 4.617 1.00 0.00 H new ATOM 0 HG2 PRO A 278 9.530 -0.260 2.966 1.00 0.00 H new ATOM 0 HG3 PRO A 278 10.853 -0.203 4.113 1.00 0.00 H new ATOM 0 HD2 PRO A 278 8.304 -1.310 4.637 1.00 0.00 H new ATOM 0 HD3 PRO A 278 9.488 -0.900 5.862 1.00 0.00 H new ATOM 458 N SER A 279 7.211 1.158 2.657 1.00 0.00 N ATOM 459 CA SER A 279 6.204 1.198 1.620 1.00 0.00 C ATOM 460 C SER A 279 6.357 -0.009 0.715 1.00 0.00 C ATOM 461 O SER A 279 7.258 -0.079 -0.121 1.00 0.00 O ATOM 462 CB SER A 279 6.303 2.475 0.804 1.00 0.00 C ATOM 463 OG SER A 279 7.656 2.699 0.431 1.00 0.00 O ATOM 0 H SER A 279 7.874 0.388 2.571 1.00 0.00 H new ATOM 0 HA SER A 279 5.223 1.178 2.094 1.00 0.00 H new ATOM 0 HB2 SER A 279 5.678 2.399 -0.086 1.00 0.00 H new ATOM 0 HB3 SER A 279 5.931 3.319 1.384 1.00 0.00 H new ATOM 0 HG SER A 279 8.072 1.848 0.180 1.00 0.00 H new ATOM 469 N TYR A 280 5.463 -0.951 0.911 1.00 0.00 N ATOM 470 CA TYR A 280 5.455 -2.184 0.146 1.00 0.00 C ATOM 471 C TYR A 280 5.144 -1.914 -1.322 1.00 0.00 C ATOM 472 O TYR A 280 6.025 -1.977 -2.179 1.00 0.00 O ATOM 473 CB TYR A 280 4.393 -3.113 0.737 1.00 0.00 C ATOM 474 CG TYR A 280 3.655 -2.376 1.836 1.00 0.00 C ATOM 475 CD1 TYR A 280 3.015 -1.157 1.559 1.00 0.00 C ATOM 476 CD2 TYR A 280 3.619 -2.903 3.131 1.00 0.00 C ATOM 477 CE1 TYR A 280 2.341 -0.472 2.575 1.00 0.00 C ATOM 478 CE2 TYR A 280 2.945 -2.217 4.146 1.00 0.00 C ATOM 479 CZ TYR A 280 2.305 -1.003 3.870 1.00 0.00 C ATOM 480 OH TYR A 280 1.641 -0.328 4.874 1.00 0.00 O ATOM 0 H TYR A 280 4.719 -0.887 1.605 1.00 0.00 H new ATOM 0 HA TYR A 280 6.440 -2.647 0.200 1.00 0.00 H new ATOM 0 HB2 TYR A 280 3.696 -3.430 -0.038 1.00 0.00 H new ATOM 0 HB3 TYR A 280 4.859 -4.014 1.135 1.00 0.00 H new ATOM 0 HD1 TYR A 280 3.043 -0.748 0.560 1.00 0.00 H new ATOM 0 HD2 TYR A 280 4.112 -3.840 3.347 1.00 0.00 H new ATOM 0 HE1 TYR A 280 1.849 0.465 2.361 1.00 0.00 H new ATOM 0 HE2 TYR A 280 2.918 -2.625 5.146 1.00 0.00 H new ATOM 0 HH TYR A 280 1.505 -0.928 5.637 1.00 0.00 H new ATOM 490 N LYS A 281 3.881 -1.622 -1.598 1.00 0.00 N ATOM 491 CA LYS A 281 3.446 -1.349 -2.965 1.00 0.00 C ATOM 492 C LYS A 281 3.798 0.072 -3.383 1.00 0.00 C ATOM 493 O LYS A 281 4.400 0.287 -4.433 1.00 0.00 O ATOM 494 CB LYS A 281 1.938 -1.550 -3.094 1.00 0.00 C ATOM 495 CG LYS A 281 1.494 -2.711 -2.203 1.00 0.00 C ATOM 496 CD LYS A 281 0.818 -2.156 -0.950 1.00 0.00 C ATOM 497 CE LYS A 281 -0.661 -1.893 -1.240 1.00 0.00 C ATOM 498 NZ LYS A 281 -1.206 -0.956 -0.217 1.00 0.00 N ATOM 0 H LYS A 281 3.141 -1.568 -0.899 1.00 0.00 H new ATOM 0 HA LYS A 281 3.967 -2.047 -3.620 1.00 0.00 H new ATOM 0 HB2 LYS A 281 1.414 -0.638 -2.807 1.00 0.00 H new ATOM 0 HB3 LYS A 281 1.676 -1.755 -4.132 1.00 0.00 H new ATOM 0 HG2 LYS A 281 0.805 -3.358 -2.746 1.00 0.00 H new ATOM 0 HG3 LYS A 281 2.354 -3.322 -1.926 1.00 0.00 H new ATOM 0 HD2 LYS A 281 0.918 -2.864 -0.127 1.00 0.00 H new ATOM 0 HD3 LYS A 281 1.308 -1.233 -0.638 1.00 0.00 H new ATOM 0 HE2 LYS A 281 -0.778 -1.468 -2.237 1.00 0.00 H new ATOM 0 HE3 LYS A 281 -1.218 -2.830 -1.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 281 -2.211 -0.776 -0.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 281 -1.107 -1.378 0.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 281 -0.680 -0.059 -0.252 1.00 0.00 H new ATOM 512 N LYS A 282 3.405 1.041 -2.566 1.00 0.00 N ATOM 513 CA LYS A 282 3.677 2.438 -2.877 1.00 0.00 C ATOM 514 C LYS A 282 5.037 2.569 -3.555 1.00 0.00 C ATOM 515 O LYS A 282 5.210 3.375 -4.469 1.00 0.00 O ATOM 516 CB LYS A 282 3.642 3.281 -1.599 1.00 0.00 C ATOM 517 CG LYS A 282 2.392 4.164 -1.607 1.00 0.00 C ATOM 518 CD LYS A 282 2.299 4.936 -0.289 1.00 0.00 C ATOM 519 CE LYS A 282 2.921 6.321 -0.461 1.00 0.00 C ATOM 520 NZ LYS A 282 3.620 6.713 0.796 1.00 0.00 N ATOM 0 H LYS A 282 2.902 0.888 -1.692 1.00 0.00 H new ATOM 0 HA LYS A 282 2.908 2.802 -3.558 1.00 0.00 H new ATOM 0 HB2 LYS A 282 3.637 2.633 -0.723 1.00 0.00 H new ATOM 0 HB3 LYS A 282 4.537 3.899 -1.533 1.00 0.00 H new ATOM 0 HG2 LYS A 282 2.431 4.860 -2.445 1.00 0.00 H new ATOM 0 HG3 LYS A 282 1.502 3.550 -1.744 1.00 0.00 H new ATOM 0 HD2 LYS A 282 1.257 5.030 0.016 1.00 0.00 H new ATOM 0 HD3 LYS A 282 2.815 4.390 0.501 1.00 0.00 H new ATOM 0 HE2 LYS A 282 3.624 6.314 -1.294 1.00 0.00 H new ATOM 0 HE3 LYS A 282 2.148 7.051 -0.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 282 4.043 7.656 0.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 282 2.937 6.735 1.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 282 4.368 6.022 1.007 1.00 0.00 H new ATOM 534 N LEU A 283 5.997 1.763 -3.110 1.00 0.00 N ATOM 535 CA LEU A 283 7.330 1.795 -3.694 1.00 0.00 C ATOM 536 C LEU A 283 7.345 1.058 -5.029 1.00 0.00 C ATOM 537 O LEU A 283 8.110 1.409 -5.927 1.00 0.00 O ATOM 538 CB LEU A 283 8.344 1.152 -2.746 1.00 0.00 C ATOM 539 CG LEU A 283 9.584 0.730 -3.539 1.00 0.00 C ATOM 540 CD1 LEU A 283 10.829 0.887 -2.670 1.00 0.00 C ATOM 541 CD2 LEU A 283 9.443 -0.733 -3.967 1.00 0.00 C ATOM 0 H LEU A 283 5.877 1.087 -2.355 1.00 0.00 H new ATOM 0 HA LEU A 283 7.604 2.837 -3.858 1.00 0.00 H new ATOM 0 HB2 LEU A 283 8.622 1.856 -1.962 1.00 0.00 H new ATOM 0 HB3 LEU A 283 7.901 0.286 -2.255 1.00 0.00 H new ATOM 0 HG LEU A 283 9.678 1.361 -4.422 1.00 0.00 H new ATOM 0 HD11 LEU A 283 11.709 0.586 -3.238 1.00 0.00 H new ATOM 0 HD12 LEU A 283 10.932 1.929 -2.367 1.00 0.00 H new ATOM 0 HD13 LEU A 283 10.736 0.259 -1.784 1.00 0.00 H new ATOM 0 HD21 LEU A 283 10.326 -1.034 -4.532 1.00 0.00 H new ATOM 0 HD22 LEU A 283 9.346 -1.363 -3.083 1.00 0.00 H new ATOM 0 HD23 LEU A 283 8.557 -0.846 -4.592 1.00 0.00 H new ATOM 547 N ILE A 284 6.496 0.035 -5.155 1.00 0.00 N ATOM 548 CA ILE A 284 6.428 -0.743 -6.385 1.00 0.00 C ATOM 549 C ILE A 284 6.946 0.077 -7.556 1.00 0.00 C ATOM 550 O ILE A 284 7.698 -0.423 -8.392 1.00 0.00 O ATOM 551 CB ILE A 284 4.988 -1.180 -6.649 1.00 0.00 C ATOM 552 CG1 ILE A 284 4.980 -2.296 -7.692 1.00 0.00 C ATOM 553 CG2 ILE A 284 4.181 0.010 -7.171 1.00 0.00 C ATOM 554 CD1 ILE A 284 3.541 -2.738 -7.960 1.00 0.00 C ATOM 0 H ILE A 284 5.853 -0.269 -4.424 1.00 0.00 H new ATOM 0 HA ILE A 284 7.053 -1.629 -6.274 1.00 0.00 H new ATOM 0 HB ILE A 284 4.542 -1.543 -5.723 1.00 0.00 H new ATOM 0 HG12 ILE A 284 5.442 -1.947 -8.616 1.00 0.00 H new ATOM 0 HG13 ILE A 284 5.571 -3.141 -7.339 1.00 0.00 H new ATOM 0 HG21 ILE A 284 3.154 -0.302 -7.359 1.00 0.00 H new ATOM 0 HG22 ILE A 284 4.188 0.808 -6.429 1.00 0.00 H new ATOM 0 HG23 ILE A 284 4.626 0.373 -8.098 1.00 0.00 H new ATOM 0 HD11 ILE A 284 3.538 -3.534 -8.704 1.00 0.00 H new ATOM 0 HD12 ILE A 284 3.095 -3.104 -7.035 1.00 0.00 H new ATOM 0 HD13 ILE A 284 2.964 -1.891 -8.332 1.00 0.00 H new ATOM 560 N MET A 285 6.567 1.347 -7.591 1.00 0.00 N ATOM 561 CA MET A 285 7.034 2.229 -8.645 1.00 0.00 C ATOM 562 C MET A 285 8.359 2.840 -8.220 1.00 0.00 C ATOM 563 O MET A 285 8.417 3.636 -7.282 1.00 0.00 O ATOM 564 CB MET A 285 6.014 3.335 -8.905 1.00 0.00 C ATOM 565 CG MET A 285 5.226 3.014 -10.176 1.00 0.00 C ATOM 566 SD MET A 285 3.610 3.825 -10.105 1.00 0.00 S ATOM 567 CE MET A 285 3.912 5.041 -11.410 1.00 0.00 C ATOM 0 H MET A 285 5.945 1.783 -6.910 1.00 0.00 H new ATOM 0 HA MET A 285 7.164 1.658 -9.564 1.00 0.00 H new ATOM 0 HB2 MET A 285 5.335 3.425 -8.057 1.00 0.00 H new ATOM 0 HB3 MET A 285 6.521 4.294 -9.011 1.00 0.00 H new ATOM 0 HG2 MET A 285 5.777 3.353 -11.053 1.00 0.00 H new ATOM 0 HG3 MET A 285 5.100 1.936 -10.276 1.00 0.00 H new ATOM 0 HE1 MET A 285 3.027 5.663 -11.539 1.00 0.00 H new ATOM 0 HE2 MET A 285 4.759 5.668 -11.134 1.00 0.00 H new ATOM 0 HE3 MET A 285 4.132 4.525 -12.344 1.00 0.00 H new ATOM 574 N TYR A 286 9.422 2.447 -8.899 1.00 0.00 N ATOM 575 CA TYR A 286 10.749 2.941 -8.572 1.00 0.00 C ATOM 576 C TYR A 286 11.237 3.924 -9.633 1.00 0.00 C ATOM 577 O TYR A 286 12.440 4.067 -9.771 1.00 0.00 O ATOM 578 CB TYR A 286 11.720 1.762 -8.470 1.00 0.00 C ATOM 579 CG TYR A 286 12.168 1.577 -7.047 1.00 0.00 C ATOM 580 CD1 TYR A 286 12.695 2.658 -6.337 1.00 0.00 C ATOM 581 CD2 TYR A 286 12.082 0.317 -6.445 1.00 0.00 C ATOM 582 CE1 TYR A 286 13.139 2.482 -5.026 1.00 0.00 C ATOM 583 CE2 TYR A 286 12.521 0.139 -5.134 1.00 0.00 C ATOM 584 CZ TYR A 286 13.054 1.223 -4.422 1.00 0.00 C ATOM 585 OH TYR A 286 13.495 1.047 -3.126 1.00 0.00 O ATOM 586 OXT TYR A 286 10.399 4.522 -10.288 1.00 0.00 O ATOM 0 H TYR A 286 9.393 1.789 -9.678 1.00 0.00 H new ATOM 0 HA TYR A 286 10.703 3.463 -7.616 1.00 0.00 H new ATOM 0 HB2 TYR A 286 11.237 0.853 -8.828 1.00 0.00 H new ATOM 0 HB3 TYR A 286 12.584 1.937 -9.111 1.00 0.00 H new ATOM 0 HD1 TYR A 286 12.759 3.630 -6.803 1.00 0.00 H new ATOM 0 HD2 TYR A 286 11.675 -0.518 -6.996 1.00 0.00 H new ATOM 0 HE1 TYR A 286 13.548 3.318 -4.478 1.00 0.00 H new ATOM 0 HE2 TYR A 286 12.451 -0.832 -4.667 1.00 0.00 H new ATOM 0 HH TYR A 286 13.383 1.882 -2.626 1.00 0.00 H new TER 596 TYR A 286