USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 411 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 37 TYR OH : rot 180:sc= -0.043 USER MOD Set 1.2: A 50 LYS NZ :NH3+ -158:sc= 0.825 (180deg=0.061!) USER MOD Set 1.3: A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -119:sc= 0.14 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 170:sc= 0.0552 (180deg=0.0439) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -96:sc= 0.282 USER MOD Single : A 18 SER OG : rot 180:sc= 0.167 USER MOD Single : A 20 LYS NZ :NH3+ -166:sc= 0.0851 (180deg=0.0554) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.416 K(o=-0.42,f=-3.4!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc=-0.00411 X(o=-0.0041,f=-0.11) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 TYR OH : rot 111:sc= 0.00751 USER MOD Single : A 56 LYS NZ :NH3+ -115:sc= 0 (180deg=-2.01!) USER MOD ----------------------------------------------------------------- ATOM 124 N MET A 1 -4.064 -3.837 -31.302 1.00 0.00 N ATOM 125 CA MET A 1 -4.917 -4.970 -30.853 1.00 0.00 C ATOM 126 C MET A 1 -5.593 -4.591 -29.563 1.00 0.00 C ATOM 127 O MET A 1 -5.477 -3.468 -29.098 1.00 0.00 O ATOM 128 CB MET A 1 -4.064 -6.217 -30.632 1.00 0.00 C ATOM 129 CG MET A 1 -4.001 -7.012 -31.925 1.00 0.00 C ATOM 130 SD MET A 1 -2.488 -8.006 -31.954 1.00 0.00 S ATOM 131 CE MET A 1 -1.622 -7.065 -33.234 1.00 0.00 C ATOM 0 H1 MET A 1 -4.394 -3.501 -32.229 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.124 -3.062 -30.611 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.077 -4.155 -31.380 1.00 0.00 H new ATOM 0 HA MET A 1 -5.663 -5.185 -31.618 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.060 -5.934 -30.315 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.490 -6.827 -29.836 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.875 -7.659 -32.009 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.021 -6.337 -32.780 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.645 -7.512 -33.416 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.205 -7.081 -34.155 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.494 -6.034 -32.904 1.00 0.00 H new ATOM 141 N GLU A 2 -6.298 -5.512 -28.968 1.00 0.00 N ATOM 142 CA GLU A 2 -6.972 -5.220 -27.720 1.00 0.00 C ATOM 143 C GLU A 2 -6.534 -6.255 -26.717 1.00 0.00 C ATOM 144 O GLU A 2 -5.791 -7.165 -27.037 1.00 0.00 O ATOM 145 CB GLU A 2 -8.482 -5.311 -27.943 1.00 0.00 C ATOM 146 CG GLU A 2 -9.161 -4.034 -27.449 1.00 0.00 C ATOM 147 CD GLU A 2 -10.476 -3.833 -28.203 1.00 0.00 C ATOM 148 OE1 GLU A 2 -10.444 -3.840 -29.422 1.00 0.00 O ATOM 149 OE2 GLU A 2 -11.493 -3.675 -27.548 1.00 0.00 O ATOM 0 H GLU A 2 -6.424 -6.462 -29.316 1.00 0.00 H new ATOM 0 HA GLU A 2 -6.728 -4.221 -27.360 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -8.693 -5.459 -29.002 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.885 -6.175 -27.414 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -9.350 -4.101 -26.378 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.505 -3.177 -27.604 1.00 0.00 H new ATOM 156 N ALA A 3 -6.984 -6.127 -25.525 1.00 0.00 N ATOM 157 CA ALA A 3 -6.615 -7.107 -24.479 1.00 0.00 C ATOM 158 C ALA A 3 -7.672 -7.130 -23.392 1.00 0.00 C ATOM 159 O ALA A 3 -7.944 -6.146 -22.737 1.00 0.00 O ATOM 160 CB ALA A 3 -5.274 -6.751 -23.908 1.00 0.00 C ATOM 0 H ALA A 3 -7.602 -5.377 -25.216 1.00 0.00 H new ATOM 0 HA ALA A 3 -6.556 -8.103 -24.919 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -5.003 -7.473 -23.138 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -4.525 -6.767 -24.700 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -5.318 -5.754 -23.471 1.00 0.00 H new ATOM 166 N ILE A 4 -8.287 -8.258 -23.228 1.00 0.00 N ATOM 167 CA ILE A 4 -9.365 -8.414 -22.230 1.00 0.00 C ATOM 168 C ILE A 4 -8.875 -8.162 -20.824 1.00 0.00 C ATOM 169 O ILE A 4 -7.980 -8.822 -20.323 1.00 0.00 O ATOM 170 CB ILE A 4 -9.925 -9.826 -22.324 1.00 0.00 C ATOM 171 CG1 ILE A 4 -10.995 -10.048 -21.234 1.00 0.00 C ATOM 172 CG2 ILE A 4 -8.812 -10.845 -22.155 1.00 0.00 C ATOM 173 CD1 ILE A 4 -12.185 -10.716 -21.849 1.00 0.00 C ATOM 0 H ILE A 4 -8.080 -9.103 -23.761 1.00 0.00 H new ATOM 0 HA ILE A 4 -10.137 -7.676 -22.448 1.00 0.00 H new ATOM 0 HB ILE A 4 -10.380 -9.952 -23.306 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -10.591 -10.663 -20.430 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -11.285 -9.095 -20.791 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -9.226 -11.851 -22.224 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -8.068 -10.704 -22.939 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -8.342 -10.712 -21.180 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -12.947 -10.877 -21.086 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -12.590 -10.083 -22.638 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -11.886 -11.675 -22.271 1.00 0.00 H new ATOM 185 N ALA A 5 -9.523 -7.255 -20.169 1.00 0.00 N ATOM 186 CA ALA A 5 -9.185 -6.984 -18.741 1.00 0.00 C ATOM 187 C ALA A 5 -9.753 -8.152 -17.927 1.00 0.00 C ATOM 188 O ALA A 5 -10.942 -8.229 -17.686 1.00 0.00 O ATOM 189 CB ALA A 5 -9.827 -5.681 -18.275 1.00 0.00 C ATOM 0 H ALA A 5 -10.275 -6.684 -20.554 1.00 0.00 H new ATOM 0 HA ALA A 5 -8.107 -6.889 -18.613 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -9.569 -5.501 -17.231 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.461 -4.856 -18.887 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -10.910 -5.753 -18.373 1.00 0.00 H new ATOM 195 N LYS A 6 -8.921 -9.079 -17.547 1.00 0.00 N ATOM 196 CA LYS A 6 -9.409 -10.280 -16.794 1.00 0.00 C ATOM 197 C LYS A 6 -10.124 -9.881 -15.491 1.00 0.00 C ATOM 198 O LYS A 6 -10.965 -10.611 -14.998 1.00 0.00 O ATOM 199 CB LYS A 6 -8.224 -11.177 -16.447 1.00 0.00 C ATOM 200 CG LYS A 6 -7.515 -11.595 -17.729 1.00 0.00 C ATOM 201 CD LYS A 6 -6.111 -12.098 -17.395 1.00 0.00 C ATOM 202 CE LYS A 6 -6.206 -13.457 -16.702 1.00 0.00 C ATOM 203 NZ LYS A 6 -4.839 -13.922 -16.334 1.00 0.00 N ATOM 0 H LYS A 6 -7.917 -9.062 -17.724 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.119 -10.807 -17.431 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -7.532 -10.648 -15.792 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.567 -12.058 -15.904 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.083 -12.377 -18.232 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -7.456 -10.751 -18.416 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -5.518 -12.183 -18.306 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -5.602 -11.383 -16.749 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -6.828 -13.380 -15.810 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -6.683 -14.181 -17.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -4.910 -14.756 -15.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.314 -14.172 -17.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.337 -13.162 -15.831 1.00 0.00 H new ATOM 217 N TYR A 7 -9.788 -8.747 -14.917 1.00 0.00 N ATOM 218 CA TYR A 7 -10.448 -8.336 -13.623 1.00 0.00 C ATOM 219 C TYR A 7 -10.488 -6.825 -13.497 1.00 0.00 C ATOM 220 O TYR A 7 -10.135 -6.093 -14.402 1.00 0.00 O ATOM 221 CB TYR A 7 -9.663 -8.899 -12.427 1.00 0.00 C ATOM 222 CG TYR A 7 -9.341 -10.358 -12.636 1.00 0.00 C ATOM 223 CD1 TYR A 7 -8.200 -10.719 -13.353 1.00 0.00 C ATOM 224 CD2 TYR A 7 -10.180 -11.347 -12.107 1.00 0.00 C ATOM 225 CE1 TYR A 7 -7.890 -12.069 -13.547 1.00 0.00 C ATOM 226 CE2 TYR A 7 -9.872 -12.700 -12.299 1.00 0.00 C ATOM 227 CZ TYR A 7 -8.726 -13.060 -13.020 1.00 0.00 C ATOM 228 OH TYR A 7 -8.421 -14.393 -13.211 1.00 0.00 O ATOM 0 H TYR A 7 -9.095 -8.093 -15.279 1.00 0.00 H new ATOM 0 HA TYR A 7 -11.464 -8.730 -13.627 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -8.741 -8.334 -12.293 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -10.246 -8.778 -11.514 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -7.555 -9.954 -13.759 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -11.063 -11.067 -11.552 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -7.007 -12.346 -14.103 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -10.517 -13.465 -11.892 1.00 0.00 H new ATOM 0 HH TYR A 7 -9.103 -14.950 -12.780 1.00 0.00 H new ATOM 238 N ASP A 8 -10.924 -6.365 -12.360 1.00 0.00 N ATOM 239 CA ASP A 8 -11.012 -4.913 -12.105 1.00 0.00 C ATOM 240 C ASP A 8 -9.639 -4.396 -11.677 1.00 0.00 C ATOM 241 O ASP A 8 -8.749 -5.158 -11.364 1.00 0.00 O ATOM 242 CB ASP A 8 -12.016 -4.686 -10.978 1.00 0.00 C ATOM 243 CG ASP A 8 -13.201 -3.852 -11.473 1.00 0.00 C ATOM 244 OD1 ASP A 8 -13.049 -2.648 -11.574 1.00 0.00 O ATOM 245 OD2 ASP A 8 -14.243 -4.433 -11.727 1.00 0.00 O ATOM 0 H ASP A 8 -11.228 -6.952 -11.583 1.00 0.00 H new ATOM 0 HA ASP A 8 -11.331 -4.386 -13.004 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -12.371 -5.645 -10.601 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -11.529 -4.178 -10.146 1.00 0.00 H new ATOM 250 N PHE A 9 -9.475 -3.101 -11.644 1.00 0.00 N ATOM 251 CA PHE A 9 -8.160 -2.500 -11.225 1.00 0.00 C ATOM 252 C PHE A 9 -8.186 -0.989 -11.477 1.00 0.00 C ATOM 253 O PHE A 9 -9.127 -0.456 -12.040 1.00 0.00 O ATOM 254 CB PHE A 9 -6.996 -3.137 -12.032 1.00 0.00 C ATOM 255 CG PHE A 9 -5.927 -3.677 -11.089 1.00 0.00 C ATOM 256 CD1 PHE A 9 -6.290 -4.394 -9.938 1.00 0.00 C ATOM 257 CD2 PHE A 9 -4.573 -3.464 -11.377 1.00 0.00 C ATOM 258 CE1 PHE A 9 -5.302 -4.893 -9.080 1.00 0.00 C ATOM 259 CE2 PHE A 9 -3.584 -3.965 -10.517 1.00 0.00 C ATOM 260 CZ PHE A 9 -3.950 -4.678 -9.370 1.00 0.00 C ATOM 0 H PHE A 9 -10.196 -2.423 -11.890 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.005 -2.695 -10.164 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.378 -3.943 -12.658 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.559 -2.394 -12.700 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -7.333 -4.561 -9.714 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -4.290 -2.914 -12.262 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -5.583 -5.444 -8.195 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.540 -3.800 -10.740 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.188 -5.063 -8.708 1.00 0.00 H new ATOM 270 N LYS A 10 -7.153 -0.297 -11.064 1.00 0.00 N ATOM 271 CA LYS A 10 -7.098 1.183 -11.273 1.00 0.00 C ATOM 272 C LYS A 10 -5.663 1.616 -11.464 1.00 0.00 C ATOM 273 O LYS A 10 -4.734 0.884 -11.168 1.00 0.00 O ATOM 274 CB LYS A 10 -7.705 1.899 -10.058 1.00 0.00 C ATOM 275 CG LYS A 10 -8.612 3.040 -10.527 1.00 0.00 C ATOM 276 CD LYS A 10 -9.396 3.592 -9.334 1.00 0.00 C ATOM 277 CE LYS A 10 -8.482 4.481 -8.490 1.00 0.00 C ATOM 278 NZ LYS A 10 -8.595 5.892 -8.955 1.00 0.00 N ATOM 0 H LYS A 10 -6.343 -0.695 -10.589 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.670 1.445 -12.163 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.276 1.192 -9.456 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.912 2.291 -9.422 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.014 3.831 -10.980 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -9.299 2.681 -11.293 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -10.256 4.164 -9.683 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -9.783 2.772 -8.729 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.758 4.410 -7.438 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.450 4.141 -8.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.974 6.497 -8.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.311 5.952 -9.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.579 6.213 -8.855 1.00 0.00 H new ATOM 292 N ALA A 11 -5.476 2.802 -11.975 1.00 0.00 N ATOM 293 CA ALA A 11 -4.112 3.297 -12.211 1.00 0.00 C ATOM 294 C ALA A 11 -3.403 3.480 -10.865 1.00 0.00 C ATOM 295 O ALA A 11 -3.972 4.009 -9.925 1.00 0.00 O ATOM 296 CB ALA A 11 -4.166 4.630 -12.950 1.00 0.00 C ATOM 0 H ALA A 11 -6.222 3.446 -12.238 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.563 2.577 -12.819 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.152 4.992 -13.122 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.671 4.495 -13.907 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.714 5.357 -12.350 1.00 0.00 H new ATOM 302 N THR A 12 -2.175 3.048 -10.764 1.00 0.00 N ATOM 303 CA THR A 12 -1.426 3.192 -9.478 1.00 0.00 C ATOM 304 C THR A 12 -0.192 4.062 -9.707 1.00 0.00 C ATOM 305 O THR A 12 0.886 3.777 -9.217 1.00 0.00 O ATOM 306 CB THR A 12 -0.997 1.809 -8.976 1.00 0.00 C ATOM 307 OG1 THR A 12 -0.077 1.236 -9.895 1.00 0.00 O ATOM 308 CG2 THR A 12 -2.226 0.906 -8.850 1.00 0.00 C ATOM 0 H THR A 12 -1.655 2.600 -11.518 1.00 0.00 H new ATOM 0 HA THR A 12 -2.068 3.661 -8.732 1.00 0.00 H new ATOM 0 HB THR A 12 -0.521 1.908 -8.001 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.555 0.636 -10.505 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.920 -0.077 -8.493 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.930 1.346 -8.143 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.705 0.805 -9.824 1.00 0.00 H new ATOM 316 N ALA A 13 -0.345 5.124 -10.457 1.00 0.00 N ATOM 317 CA ALA A 13 0.809 6.030 -10.739 1.00 0.00 C ATOM 318 C ALA A 13 0.360 7.148 -11.641 1.00 0.00 C ATOM 319 O ALA A 13 -0.786 7.226 -12.047 1.00 0.00 O ATOM 320 CB ALA A 13 1.931 5.257 -11.433 1.00 0.00 C ATOM 0 H ALA A 13 -1.226 5.404 -10.889 1.00 0.00 H new ATOM 0 HA ALA A 13 1.177 6.433 -9.795 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.766 5.929 -11.633 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.266 4.444 -10.788 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.563 4.846 -12.373 1.00 0.00 H new ATOM 326 N ASP A 14 1.264 8.015 -11.955 1.00 0.00 N ATOM 327 CA ASP A 14 0.946 9.153 -12.832 1.00 0.00 C ATOM 328 C ASP A 14 1.039 8.731 -14.310 1.00 0.00 C ATOM 329 O ASP A 14 0.876 9.542 -15.203 1.00 0.00 O ATOM 330 CB ASP A 14 1.941 10.244 -12.528 1.00 0.00 C ATOM 331 CG ASP A 14 1.356 11.606 -12.907 1.00 0.00 C ATOM 332 OD1 ASP A 14 1.206 11.857 -14.091 1.00 0.00 O ATOM 333 OD2 ASP A 14 1.069 12.376 -12.005 1.00 0.00 O ATOM 0 H ASP A 14 2.231 7.981 -11.633 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.071 9.504 -12.656 1.00 0.00 H new ATOM 0 HB2 ASP A 14 2.195 10.230 -11.468 1.00 0.00 H new ATOM 0 HB3 ASP A 14 2.865 10.069 -13.080 1.00 0.00 H new ATOM 338 N ASP A 15 1.288 7.461 -14.574 1.00 0.00 N ATOM 339 CA ASP A 15 1.376 6.984 -15.952 1.00 0.00 C ATOM 340 C ASP A 15 0.763 5.579 -16.040 1.00 0.00 C ATOM 341 O ASP A 15 1.115 4.790 -16.902 1.00 0.00 O ATOM 342 CB ASP A 15 2.843 6.939 -16.381 1.00 0.00 C ATOM 343 CG ASP A 15 3.182 8.198 -17.184 1.00 0.00 C ATOM 344 OD1 ASP A 15 2.371 8.587 -18.009 1.00 0.00 O ATOM 345 OD2 ASP A 15 4.247 8.751 -16.962 1.00 0.00 O ATOM 0 H ASP A 15 1.432 6.743 -13.864 1.00 0.00 H new ATOM 0 HA ASP A 15 0.831 7.658 -16.612 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.487 6.870 -15.504 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.029 6.050 -16.984 1.00 0.00 H new ATOM 350 N GLU A 16 -0.159 5.262 -15.154 1.00 0.00 N ATOM 351 CA GLU A 16 -0.798 3.923 -15.181 1.00 0.00 C ATOM 352 C GLU A 16 -2.220 4.068 -15.728 1.00 0.00 C ATOM 353 O GLU A 16 -2.680 5.167 -15.985 1.00 0.00 O ATOM 354 CB GLU A 16 -0.820 3.348 -13.762 1.00 0.00 C ATOM 355 CG GLU A 16 -0.981 1.831 -13.829 1.00 0.00 C ATOM 356 CD GLU A 16 -0.137 1.172 -12.734 1.00 0.00 C ATOM 357 OE1 GLU A 16 0.980 1.616 -12.525 1.00 0.00 O ATOM 358 OE2 GLU A 16 -0.625 0.236 -12.122 1.00 0.00 O ATOM 0 H GLU A 16 -0.490 5.883 -14.415 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.237 3.244 -15.823 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.102 3.604 -13.240 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.640 3.787 -13.193 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.030 1.561 -13.705 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.672 1.466 -14.809 1.00 0.00 H new ATOM 365 N LEU A 17 -2.909 2.975 -15.935 1.00 0.00 N ATOM 366 CA LEU A 17 -4.291 3.060 -16.496 1.00 0.00 C ATOM 367 C LEU A 17 -5.280 2.275 -15.627 1.00 0.00 C ATOM 368 O LEU A 17 -4.936 1.299 -14.988 1.00 0.00 O ATOM 369 CB LEU A 17 -4.277 2.501 -17.930 1.00 0.00 C ATOM 370 CG LEU A 17 -5.687 2.544 -18.535 1.00 0.00 C ATOM 371 CD1 LEU A 17 -6.190 3.995 -18.607 1.00 0.00 C ATOM 372 CD2 LEU A 17 -5.652 1.935 -19.947 1.00 0.00 C ATOM 0 H LEU A 17 -2.576 2.031 -15.741 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.614 4.101 -16.508 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.592 3.082 -18.547 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.908 1.475 -17.924 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.366 1.970 -17.904 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.191 4.012 -19.038 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.219 4.420 -17.604 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.517 4.583 -19.231 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.652 1.964 -20.380 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.968 2.508 -20.573 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.311 0.901 -19.889 1.00 0.00 H new ATOM 384 N SER A 18 -6.515 2.717 -15.606 1.00 0.00 N ATOM 385 CA SER A 18 -7.553 2.044 -14.800 1.00 0.00 C ATOM 386 C SER A 18 -8.473 1.232 -15.713 1.00 0.00 C ATOM 387 O SER A 18 -8.512 1.438 -16.912 1.00 0.00 O ATOM 388 CB SER A 18 -8.367 3.095 -14.094 1.00 0.00 C ATOM 389 OG SER A 18 -7.546 4.210 -13.775 1.00 0.00 O ATOM 0 H SER A 18 -6.842 3.531 -16.127 1.00 0.00 H new ATOM 0 HA SER A 18 -7.082 1.376 -14.078 1.00 0.00 H new ATOM 0 HB2 SER A 18 -9.195 3.412 -14.727 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.802 2.680 -13.184 1.00 0.00 H new ATOM 0 HG SER A 18 -8.082 4.891 -13.317 1.00 0.00 H new ATOM 395 N PHE A 19 -9.228 0.326 -15.146 1.00 0.00 N ATOM 396 CA PHE A 19 -10.170 -0.492 -15.961 1.00 0.00 C ATOM 397 C PHE A 19 -10.948 -1.434 -15.039 1.00 0.00 C ATOM 398 O PHE A 19 -10.599 -1.620 -13.886 1.00 0.00 O ATOM 399 CB PHE A 19 -9.396 -1.302 -17.017 1.00 0.00 C ATOM 400 CG PHE A 19 -8.373 -2.191 -16.349 1.00 0.00 C ATOM 401 CD1 PHE A 19 -8.786 -3.351 -15.688 1.00 0.00 C ATOM 402 CD2 PHE A 19 -7.015 -1.857 -16.400 1.00 0.00 C ATOM 403 CE1 PHE A 19 -7.840 -4.179 -15.074 1.00 0.00 C ATOM 404 CE2 PHE A 19 -6.069 -2.685 -15.788 1.00 0.00 C ATOM 405 CZ PHE A 19 -6.480 -3.846 -15.123 1.00 0.00 C ATOM 0 H PHE A 19 -9.231 0.118 -14.147 1.00 0.00 H new ATOM 0 HA PHE A 19 -10.868 0.168 -16.477 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -10.089 -1.908 -17.600 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -8.901 -0.625 -17.713 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.834 -3.608 -15.651 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -6.698 -0.960 -16.912 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -8.158 -5.075 -14.562 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.021 -2.429 -15.828 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.750 -4.484 -14.648 1.00 0.00 H new ATOM 415 N LYS A 20 -12.005 -2.013 -15.537 1.00 0.00 N ATOM 416 CA LYS A 20 -12.829 -2.933 -14.710 1.00 0.00 C ATOM 417 C LYS A 20 -12.773 -4.340 -15.289 1.00 0.00 C ATOM 418 O LYS A 20 -12.148 -4.588 -16.303 1.00 0.00 O ATOM 419 CB LYS A 20 -14.281 -2.452 -14.718 1.00 0.00 C ATOM 420 CG LYS A 20 -14.345 -0.979 -14.302 1.00 0.00 C ATOM 421 CD LYS A 20 -14.840 -0.857 -12.848 1.00 0.00 C ATOM 422 CE LYS A 20 -13.827 -0.056 -12.020 1.00 0.00 C ATOM 423 NZ LYS A 20 -14.180 -0.152 -10.576 1.00 0.00 N ATOM 0 H LYS A 20 -12.335 -1.885 -16.494 1.00 0.00 H new ATOM 0 HA LYS A 20 -12.442 -2.943 -13.691 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -14.709 -2.577 -15.713 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.878 -3.058 -14.036 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.359 -0.524 -14.398 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -15.014 -0.434 -14.968 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -15.812 -0.365 -12.825 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -14.974 -1.848 -12.415 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -12.821 -0.440 -12.186 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -13.826 0.987 -12.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -13.653 0.567 -10.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -15.201 0.007 -10.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -13.933 -1.098 -10.220 1.00 0.00 H new ATOM 437 N ARG A 21 -13.435 -5.255 -14.645 1.00 0.00 N ATOM 438 CA ARG A 21 -13.459 -6.658 -15.121 1.00 0.00 C ATOM 439 C ARG A 21 -14.339 -6.759 -16.364 1.00 0.00 C ATOM 440 O ARG A 21 -15.552 -6.677 -16.285 1.00 0.00 O ATOM 441 CB ARG A 21 -14.035 -7.518 -14.015 1.00 0.00 C ATOM 442 CG ARG A 21 -13.817 -8.993 -14.324 1.00 0.00 C ATOM 443 CD ARG A 21 -13.746 -9.762 -13.004 1.00 0.00 C ATOM 444 NE ARG A 21 -14.483 -11.052 -13.134 1.00 0.00 N ATOM 445 CZ ARG A 21 -13.872 -12.113 -13.593 1.00 0.00 C ATOM 446 NH1 ARG A 21 -13.223 -12.896 -12.775 1.00 0.00 N ATOM 447 NH2 ARG A 21 -13.914 -12.392 -14.867 1.00 0.00 N ATOM 0 H ARG A 21 -13.970 -5.085 -13.793 1.00 0.00 H new ATOM 0 HA ARG A 21 -12.453 -6.993 -15.374 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -13.563 -7.265 -13.065 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -15.101 -7.316 -13.906 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -14.630 -9.375 -14.941 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -12.896 -9.129 -14.891 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -12.706 -9.951 -12.738 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -14.177 -9.165 -12.200 1.00 0.00 H new ATOM 0 HE ARG A 21 -15.465 -11.107 -12.864 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -13.193 -12.680 -11.779 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -12.746 -13.724 -13.132 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -14.424 -11.782 -15.506 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -13.437 -13.220 -15.224 1.00 0.00 H new ATOM 461 N GLY A 22 -13.737 -6.924 -17.511 1.00 0.00 N ATOM 462 CA GLY A 22 -14.526 -7.019 -18.773 1.00 0.00 C ATOM 463 C GLY A 22 -14.271 -5.780 -19.648 1.00 0.00 C ATOM 464 O GLY A 22 -14.774 -5.683 -20.753 1.00 0.00 O ATOM 0 H GLY A 22 -12.726 -6.997 -17.629 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -14.249 -7.922 -19.317 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -15.588 -7.099 -18.542 1.00 0.00 H new ATOM 468 N ASP A 23 -13.488 -4.830 -19.166 1.00 0.00 N ATOM 469 CA ASP A 23 -13.199 -3.642 -19.930 1.00 0.00 C ATOM 470 C ASP A 23 -11.973 -3.907 -20.779 1.00 0.00 C ATOM 471 O ASP A 23 -10.857 -3.684 -20.346 1.00 0.00 O ATOM 472 CB ASP A 23 -12.905 -2.515 -18.962 1.00 0.00 C ATOM 473 CG ASP A 23 -14.152 -1.648 -18.772 1.00 0.00 C ATOM 474 OD1 ASP A 23 -15.220 -2.210 -18.595 1.00 0.00 O ATOM 475 OD2 ASP A 23 -14.016 -0.435 -18.806 1.00 0.00 O ATOM 0 H ASP A 23 -13.044 -4.864 -18.248 1.00 0.00 H new ATOM 0 HA ASP A 23 -14.041 -3.375 -20.568 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.586 -2.923 -18.003 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -12.083 -1.906 -19.339 1.00 0.00 H new ATOM 480 N ILE A 24 -12.158 -4.386 -21.970 1.00 0.00 N ATOM 481 CA ILE A 24 -10.984 -4.676 -22.836 1.00 0.00 C ATOM 482 C ILE A 24 -10.315 -3.358 -23.210 1.00 0.00 C ATOM 483 O ILE A 24 -10.950 -2.424 -23.661 1.00 0.00 O ATOM 484 CB ILE A 24 -11.405 -5.465 -24.080 1.00 0.00 C ATOM 485 CG1 ILE A 24 -12.446 -6.553 -23.663 1.00 0.00 C ATOM 486 CG2 ILE A 24 -10.145 -6.119 -24.662 1.00 0.00 C ATOM 487 CD1 ILE A 24 -12.559 -7.653 -24.722 1.00 0.00 C ATOM 0 H ILE A 24 -13.068 -4.590 -22.384 1.00 0.00 H new ATOM 0 HA ILE A 24 -10.271 -5.297 -22.294 1.00 0.00 H new ATOM 0 HB ILE A 24 -11.864 -4.817 -24.827 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -12.153 -6.993 -22.710 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -13.421 -6.088 -23.514 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -10.410 -6.690 -25.552 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -9.424 -5.346 -24.928 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -9.705 -6.786 -23.920 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -13.291 -8.394 -24.401 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -12.877 -7.216 -25.669 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.590 -8.134 -24.852 1.00 0.00 H new ATOM 499 N LEU A 25 -9.038 -3.276 -22.976 1.00 0.00 N ATOM 500 CA LEU A 25 -8.282 -2.022 -23.250 1.00 0.00 C ATOM 501 C LEU A 25 -7.692 -2.048 -24.661 1.00 0.00 C ATOM 502 O LEU A 25 -7.694 -3.072 -25.328 1.00 0.00 O ATOM 503 CB LEU A 25 -7.147 -1.906 -22.224 1.00 0.00 C ATOM 504 CG LEU A 25 -7.720 -2.012 -20.798 1.00 0.00 C ATOM 505 CD1 LEU A 25 -7.747 -3.476 -20.338 1.00 0.00 C ATOM 506 CD2 LEU A 25 -6.839 -1.212 -19.841 1.00 0.00 C ATOM 0 H LEU A 25 -8.474 -4.038 -22.599 1.00 0.00 H new ATOM 0 HA LEU A 25 -8.956 -1.168 -23.174 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.412 -2.694 -22.390 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.628 -0.955 -22.348 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.736 -1.618 -20.799 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.155 -3.533 -19.329 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.372 -4.059 -21.015 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.734 -3.878 -20.343 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.241 -1.284 -18.830 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.826 -1.613 -19.858 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.821 -0.167 -20.151 1.00 0.00 H new ATOM 518 N LYS A 26 -7.167 -0.924 -25.115 1.00 0.00 N ATOM 519 CA LYS A 26 -6.552 -0.880 -26.494 1.00 0.00 C ATOM 520 C LYS A 26 -5.038 -0.910 -26.339 1.00 0.00 C ATOM 521 O LYS A 26 -4.450 0.032 -25.869 1.00 0.00 O ATOM 522 CB LYS A 26 -6.976 0.409 -27.204 1.00 0.00 C ATOM 523 CG LYS A 26 -6.683 0.291 -28.702 1.00 0.00 C ATOM 524 CD LYS A 26 -6.405 1.680 -29.280 1.00 0.00 C ATOM 525 CE LYS A 26 -6.799 1.706 -30.757 1.00 0.00 C ATOM 526 NZ LYS A 26 -8.223 2.131 -30.886 1.00 0.00 N ATOM 0 H LYS A 26 -7.137 -0.045 -24.598 1.00 0.00 H new ATOM 0 HA LYS A 26 -6.886 -1.732 -27.086 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -8.039 0.591 -27.044 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.440 1.260 -26.784 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -5.825 -0.361 -28.865 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -7.531 -0.164 -29.214 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -6.968 2.434 -28.729 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -5.349 1.927 -29.170 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.153 2.392 -31.304 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.662 0.719 -31.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -8.490 2.148 -31.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -8.833 1.460 -30.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -8.340 3.081 -30.480 1.00 0.00 H new ATOM 540 N VAL A 27 -4.392 -1.993 -26.699 1.00 0.00 N ATOM 541 CA VAL A 27 -2.914 -2.054 -26.499 1.00 0.00 C ATOM 542 C VAL A 27 -2.197 -1.013 -27.368 1.00 0.00 C ATOM 543 O VAL A 27 -2.087 -1.136 -28.572 1.00 0.00 O ATOM 544 CB VAL A 27 -2.373 -3.463 -26.790 1.00 0.00 C ATOM 545 CG1 VAL A 27 -0.977 -3.596 -26.171 1.00 0.00 C ATOM 546 CG2 VAL A 27 -3.292 -4.520 -26.161 1.00 0.00 C ATOM 0 H VAL A 27 -4.816 -2.822 -27.115 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.713 -1.822 -25.453 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.330 -3.615 -27.868 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.584 -4.593 -26.372 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.313 -2.849 -26.607 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.040 -3.441 -25.094 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.900 -5.515 -26.373 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.335 -4.369 -25.082 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.294 -4.427 -26.581 1.00 0.00 H new ATOM 556 N LEU A 28 -1.697 0.002 -26.724 1.00 0.00 N ATOM 557 CA LEU A 28 -0.951 1.088 -27.405 1.00 0.00 C ATOM 558 C LEU A 28 0.475 0.615 -27.639 1.00 0.00 C ATOM 559 O LEU A 28 1.029 0.764 -28.713 1.00 0.00 O ATOM 560 CB LEU A 28 -0.900 2.313 -26.461 1.00 0.00 C ATOM 561 CG LEU A 28 -2.035 3.320 -26.741 1.00 0.00 C ATOM 562 CD1 LEU A 28 -3.395 2.606 -26.865 1.00 0.00 C ATOM 563 CD2 LEU A 28 -2.090 4.325 -25.569 1.00 0.00 C ATOM 0 H LEU A 28 -1.780 0.125 -25.715 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.433 1.347 -28.348 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.966 1.974 -25.427 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.062 2.814 -26.572 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.835 3.830 -27.683 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.175 3.341 -27.062 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.356 1.889 -27.685 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.617 2.082 -25.935 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.887 5.047 -25.746 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.286 3.790 -24.640 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.137 4.848 -25.493 1.00 0.00 H new ATOM 575 N ASN A 29 1.077 0.055 -26.616 1.00 0.00 N ATOM 576 CA ASN A 29 2.482 -0.424 -26.743 1.00 0.00 C ATOM 577 C ASN A 29 2.619 -1.813 -26.121 1.00 0.00 C ATOM 578 O ASN A 29 2.472 -1.985 -24.924 1.00 0.00 O ATOM 579 CB ASN A 29 3.419 0.546 -26.022 1.00 0.00 C ATOM 580 CG ASN A 29 4.859 0.297 -26.476 1.00 0.00 C ATOM 581 OD1 ASN A 29 5.262 -0.834 -26.663 1.00 0.00 O ATOM 582 ND2 ASN A 29 5.657 1.313 -26.663 1.00 0.00 N ATOM 0 H ASN A 29 0.652 -0.089 -25.700 1.00 0.00 H new ATOM 0 HA ASN A 29 2.746 -0.475 -27.799 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.131 1.575 -26.238 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.338 0.412 -24.943 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.618 1.157 -26.966 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.319 2.263 -26.506 1.00 0.00 H new ATOM 673 N TRP A 36 3.766 -5.224 -18.196 1.00 0.00 N ATOM 674 CA TRP A 36 2.506 -4.364 -18.196 1.00 0.00 C ATOM 675 C TRP A 36 2.344 -3.782 -19.616 1.00 0.00 C ATOM 676 O TRP A 36 3.292 -3.290 -20.198 1.00 0.00 O ATOM 677 CB TRP A 36 2.561 -3.175 -17.188 1.00 0.00 C ATOM 678 CG TRP A 36 2.851 -3.642 -15.775 1.00 0.00 C ATOM 679 CD1 TRP A 36 3.896 -4.408 -15.420 1.00 0.00 C ATOM 680 CD2 TRP A 36 2.130 -3.345 -14.521 1.00 0.00 C ATOM 681 NE1 TRP A 36 3.850 -4.640 -14.056 1.00 0.00 N ATOM 682 CE2 TRP A 36 2.797 -4.003 -13.460 1.00 0.00 C ATOM 683 CE3 TRP A 36 0.977 -2.593 -14.199 1.00 0.00 C ATOM 684 CZ2 TRP A 36 2.351 -3.923 -12.140 1.00 0.00 C ATOM 685 CZ3 TRP A 36 0.532 -2.509 -12.862 1.00 0.00 C ATOM 686 CH2 TRP A 36 1.220 -3.171 -11.839 1.00 0.00 C ATOM 0 HA TRP A 36 1.673 -4.998 -17.894 1.00 0.00 H new ATOM 0 HB2 TRP A 36 3.330 -2.469 -17.502 1.00 0.00 H new ATOM 0 HB3 TRP A 36 1.611 -2.640 -17.206 1.00 0.00 H new ATOM 0 HD1 TRP A 36 4.653 -4.784 -16.093 1.00 0.00 H new ATOM 0 HE1 TRP A 36 4.523 -5.219 -13.554 1.00 0.00 H new ATOM 0 HE3 TRP A 36 0.434 -2.080 -14.979 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 2.881 -4.443 -11.356 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.348 -1.928 -12.626 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.874 -3.098 -10.819 1.00 0.00 H new ATOM 697 N TYR A 37 1.156 -3.838 -20.177 1.00 0.00 N ATOM 698 CA TYR A 37 0.943 -3.289 -21.568 1.00 0.00 C ATOM 699 C TYR A 37 0.475 -1.845 -21.509 1.00 0.00 C ATOM 700 O TYR A 37 -0.465 -1.524 -20.806 1.00 0.00 O ATOM 701 CB TYR A 37 -0.188 -4.033 -22.303 1.00 0.00 C ATOM 702 CG TYR A 37 0.180 -5.443 -22.663 1.00 0.00 C ATOM 703 CD1 TYR A 37 1.355 -5.715 -23.370 1.00 0.00 C ATOM 704 CD2 TYR A 37 -0.690 -6.480 -22.317 1.00 0.00 C ATOM 705 CE1 TYR A 37 1.663 -7.036 -23.723 1.00 0.00 C ATOM 706 CE2 TYR A 37 -0.393 -7.792 -22.674 1.00 0.00 C ATOM 707 CZ TYR A 37 0.788 -8.077 -23.376 1.00 0.00 C ATOM 708 OH TYR A 37 1.087 -9.380 -23.735 1.00 0.00 O ATOM 0 H TYR A 37 0.326 -4.237 -19.738 1.00 0.00 H new ATOM 0 HA TYR A 37 1.899 -3.399 -22.080 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -1.078 -4.044 -21.674 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.446 -3.487 -23.210 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.022 -4.911 -23.643 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -1.596 -6.263 -21.771 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.573 -7.253 -24.262 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.071 -8.590 -22.411 1.00 0.00 H new ATOM 0 HH TYR A 37 0.378 -9.978 -23.417 1.00 0.00 H new ATOM 718 N LYS A 38 1.043 -0.991 -22.319 1.00 0.00 N ATOM 719 CA LYS A 38 0.539 0.404 -22.388 1.00 0.00 C ATOM 720 C LYS A 38 -0.771 0.300 -23.155 1.00 0.00 C ATOM 721 O LYS A 38 -0.899 -0.577 -23.985 1.00 0.00 O ATOM 722 CB LYS A 38 1.527 1.277 -23.157 1.00 0.00 C ATOM 723 CG LYS A 38 1.035 2.723 -23.163 1.00 0.00 C ATOM 724 CD LYS A 38 1.489 3.422 -24.456 1.00 0.00 C ATOM 725 CE LYS A 38 2.433 4.583 -24.114 1.00 0.00 C ATOM 726 NZ LYS A 38 2.392 5.598 -25.207 1.00 0.00 N ATOM 0 H LYS A 38 1.831 -1.202 -22.932 1.00 0.00 H new ATOM 0 HA LYS A 38 0.410 0.851 -21.402 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.513 1.220 -22.697 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.631 0.913 -24.179 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.052 2.747 -23.088 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.426 3.254 -22.295 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.995 2.709 -25.107 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.623 3.794 -25.003 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.138 5.039 -23.169 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.450 4.213 -23.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.032 6.384 -24.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.693 5.159 -26.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.422 5.959 -25.309 1.00 0.00 H new ATOM 740 N ALA A 39 -1.758 1.119 -22.879 1.00 0.00 N ATOM 741 CA ALA A 39 -3.057 0.966 -23.627 1.00 0.00 C ATOM 742 C ALA A 39 -3.983 2.098 -23.379 1.00 0.00 C ATOM 743 O ALA A 39 -3.628 3.086 -22.789 1.00 0.00 O ATOM 744 CB ALA A 39 -3.709 -0.356 -23.223 1.00 0.00 C ATOM 0 H ALA A 39 -1.729 1.869 -22.188 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.840 0.966 -24.695 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.650 -0.476 -23.759 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.042 -1.182 -23.471 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.900 -0.354 -22.150 1.00 0.00 H new ATOM 750 N GLU A 40 -5.174 1.986 -23.897 1.00 0.00 N ATOM 751 CA GLU A 40 -6.119 3.085 -23.754 1.00 0.00 C ATOM 752 C GLU A 40 -7.563 2.606 -23.833 1.00 0.00 C ATOM 753 O GLU A 40 -7.965 1.877 -24.715 1.00 0.00 O ATOM 754 CB GLU A 40 -5.768 4.133 -24.821 1.00 0.00 C ATOM 755 CG GLU A 40 -6.855 4.276 -25.908 1.00 0.00 C ATOM 756 CD GLU A 40 -6.495 5.428 -26.848 1.00 0.00 C ATOM 757 OE1 GLU A 40 -6.064 6.457 -26.355 1.00 0.00 O ATOM 758 OE2 GLU A 40 -6.657 5.262 -28.046 1.00 0.00 O ATOM 0 H GLU A 40 -5.518 1.174 -24.410 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.036 3.538 -22.766 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.616 5.098 -24.338 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.824 3.861 -25.293 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.943 3.348 -26.472 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.824 4.461 -25.445 1.00 0.00 H new ATOM 765 N LEU A 41 -8.319 3.059 -22.912 1.00 0.00 N ATOM 766 CA LEU A 41 -9.760 2.704 -22.847 1.00 0.00 C ATOM 767 C LEU A 41 -10.626 3.829 -23.305 1.00 0.00 C ATOM 768 O LEU A 41 -10.982 4.726 -22.572 1.00 0.00 O ATOM 769 CB LEU A 41 -10.138 2.302 -21.439 1.00 0.00 C ATOM 770 CG LEU A 41 -9.938 0.818 -21.316 1.00 0.00 C ATOM 771 CD1 LEU A 41 -9.744 0.452 -19.849 1.00 0.00 C ATOM 772 CD2 LEU A 41 -11.169 0.120 -21.883 1.00 0.00 C ATOM 0 H LEU A 41 -8.003 3.683 -22.169 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.922 1.861 -23.519 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.522 2.832 -20.712 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -11.175 2.566 -21.232 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.053 0.503 -21.869 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -9.599 -0.625 -19.759 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -8.869 0.970 -19.457 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -10.626 0.748 -19.280 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -11.044 -0.960 -21.803 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -12.052 0.426 -21.321 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -11.293 0.394 -22.931 1.00 0.00 H new ATOM 784 N ASN A 42 -11.004 3.732 -24.523 1.00 0.00 N ATOM 785 CA ASN A 42 -11.913 4.726 -25.154 1.00 0.00 C ATOM 786 C ASN A 42 -11.579 6.197 -24.793 1.00 0.00 C ATOM 787 O ASN A 42 -12.441 7.057 -24.874 1.00 0.00 O ATOM 788 CB ASN A 42 -13.318 4.434 -24.687 1.00 0.00 C ATOM 789 CG ASN A 42 -13.996 3.455 -25.648 1.00 0.00 C ATOM 790 OD1 ASN A 42 -14.072 3.703 -26.835 1.00 0.00 O ATOM 791 ND2 ASN A 42 -14.495 2.342 -25.181 1.00 0.00 N ATOM 0 H ASN A 42 -10.716 2.977 -25.145 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.796 4.629 -26.233 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -13.296 4.013 -23.682 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -13.892 5.359 -24.633 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -14.948 1.682 -25.813 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -14.432 2.133 -24.185 1.00 0.00 H new ATOM 798 N GLY A 43 -10.374 6.491 -24.408 1.00 0.00 N ATOM 799 CA GLY A 43 -10.030 7.909 -24.056 1.00 0.00 C ATOM 800 C GLY A 43 -8.917 7.944 -23.008 1.00 0.00 C ATOM 801 O GLY A 43 -8.032 8.781 -23.068 1.00 0.00 O ATOM 0 H GLY A 43 -9.610 5.822 -24.319 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.713 8.446 -24.950 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.914 8.420 -23.674 1.00 0.00 H new ATOM 805 N LYS A 44 -8.938 7.035 -22.058 1.00 0.00 N ATOM 806 CA LYS A 44 -7.892 7.002 -21.043 1.00 0.00 C ATOM 807 C LYS A 44 -6.778 6.166 -21.560 1.00 0.00 C ATOM 808 O LYS A 44 -6.880 5.563 -22.608 1.00 0.00 O ATOM 809 CB LYS A 44 -8.415 6.395 -19.752 1.00 0.00 C ATOM 810 CG LYS A 44 -8.982 7.499 -18.874 1.00 0.00 C ATOM 811 CD LYS A 44 -10.179 6.967 -18.088 1.00 0.00 C ATOM 812 CE LYS A 44 -11.353 6.756 -19.043 1.00 0.00 C ATOM 813 NZ LYS A 44 -12.153 8.010 -19.134 1.00 0.00 N ATOM 0 H LYS A 44 -9.654 6.315 -21.962 1.00 0.00 H new ATOM 0 HA LYS A 44 -7.555 8.017 -20.833 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.186 5.655 -19.970 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.612 5.875 -19.230 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -8.216 7.861 -18.188 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.286 8.346 -19.489 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.920 6.028 -17.598 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.455 7.670 -17.303 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -10.986 6.474 -20.030 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -11.980 5.937 -18.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -12.952 7.866 -19.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -12.514 8.260 -18.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -11.552 8.780 -19.490 1.00 0.00 H new ATOM 827 N ASP A 45 -5.713 6.124 -20.844 1.00 0.00 N ATOM 828 CA ASP A 45 -4.565 5.332 -21.283 1.00 0.00 C ATOM 829 C ASP A 45 -3.509 5.143 -20.167 1.00 0.00 C ATOM 830 O ASP A 45 -3.634 5.652 -19.070 1.00 0.00 O ATOM 831 CB ASP A 45 -3.979 6.035 -22.524 1.00 0.00 C ATOM 832 CG ASP A 45 -2.825 7.002 -22.169 1.00 0.00 C ATOM 833 OD1 ASP A 45 -3.049 7.885 -21.357 1.00 0.00 O ATOM 834 OD2 ASP A 45 -1.748 6.837 -22.717 1.00 0.00 O ATOM 0 H ASP A 45 -5.588 6.614 -19.958 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.885 4.320 -21.533 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.616 5.284 -23.225 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -4.769 6.589 -23.031 1.00 0.00 H new ATOM 839 N GLY A 46 -2.457 4.424 -20.485 1.00 0.00 N ATOM 840 CA GLY A 46 -1.359 4.195 -19.512 1.00 0.00 C ATOM 841 C GLY A 46 -1.031 2.695 -19.402 1.00 0.00 C ATOM 842 O GLY A 46 -1.685 1.856 -19.985 1.00 0.00 O ATOM 0 H GLY A 46 -2.318 3.983 -21.394 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.471 4.744 -19.823 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.647 4.582 -18.534 1.00 0.00 H new ATOM 846 N PHE A 47 0.003 2.369 -18.662 1.00 0.00 N ATOM 847 CA PHE A 47 0.429 0.935 -18.508 1.00 0.00 C ATOM 848 C PHE A 47 -0.578 0.142 -17.677 1.00 0.00 C ATOM 849 O PHE A 47 -1.233 0.673 -16.808 1.00 0.00 O ATOM 850 CB PHE A 47 1.780 0.898 -17.799 1.00 0.00 C ATOM 851 CG PHE A 47 2.846 1.464 -18.704 1.00 0.00 C ATOM 852 CD1 PHE A 47 3.135 0.839 -19.924 1.00 0.00 C ATOM 853 CD2 PHE A 47 3.546 2.615 -18.325 1.00 0.00 C ATOM 854 CE1 PHE A 47 4.122 1.367 -20.763 1.00 0.00 C ATOM 855 CE2 PHE A 47 4.534 3.143 -19.164 1.00 0.00 C ATOM 856 CZ PHE A 47 4.823 2.519 -20.383 1.00 0.00 C ATOM 0 H PHE A 47 0.577 3.040 -18.152 1.00 0.00 H new ATOM 0 HA PHE A 47 0.492 0.486 -19.499 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.732 1.473 -16.874 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.029 -0.127 -17.524 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.596 -0.050 -20.217 1.00 0.00 H new ATOM 0 HD2 PHE A 47 3.324 3.096 -17.384 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.344 0.886 -21.704 1.00 0.00 H new ATOM 0 HE2 PHE A 47 5.073 4.032 -18.871 1.00 0.00 H new ATOM 0 HZ PHE A 47 5.586 2.925 -21.030 1.00 0.00 H new ATOM 866 N ILE A 48 -0.677 -1.150 -17.923 1.00 0.00 N ATOM 867 CA ILE A 48 -1.609 -2.001 -17.135 1.00 0.00 C ATOM 868 C ILE A 48 -0.895 -3.336 -16.844 1.00 0.00 C ATOM 869 O ILE A 48 -0.225 -3.843 -17.701 1.00 0.00 O ATOM 870 CB ILE A 48 -2.894 -2.266 -17.930 1.00 0.00 C ATOM 871 CG1 ILE A 48 -2.544 -2.704 -19.361 1.00 0.00 C ATOM 872 CG2 ILE A 48 -3.730 -0.990 -17.983 1.00 0.00 C ATOM 873 CD1 ILE A 48 -3.593 -3.698 -19.870 1.00 0.00 C ATOM 0 H ILE A 48 -0.146 -1.644 -18.640 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.881 -1.497 -16.208 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.460 -3.058 -17.440 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.504 -1.835 -20.018 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -1.556 -3.163 -19.379 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.643 -1.177 -18.548 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.987 -0.681 -16.970 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.158 -0.200 -18.470 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.341 -4.006 -20.885 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.611 -4.573 -19.220 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.575 -3.224 -19.868 1.00 0.00 H new ATOM 885 N PRO A 49 -1.042 -3.875 -15.647 1.00 0.00 N ATOM 886 CA PRO A 49 -0.381 -5.137 -15.299 1.00 0.00 C ATOM 887 C PRO A 49 -1.007 -6.312 -16.027 1.00 0.00 C ATOM 888 O PRO A 49 -2.127 -6.668 -15.798 1.00 0.00 O ATOM 889 CB PRO A 49 -0.553 -5.260 -13.793 1.00 0.00 C ATOM 890 CG PRO A 49 -1.754 -4.343 -13.422 1.00 0.00 C ATOM 891 CD PRO A 49 -1.862 -3.305 -14.565 1.00 0.00 C ATOM 0 HA PRO A 49 0.669 -5.143 -15.593 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.748 -6.293 -13.506 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.351 -4.949 -13.270 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.674 -4.921 -13.331 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.589 -3.852 -12.463 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.896 -3.165 -14.880 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.489 -2.329 -14.254 1.00 0.00 H new ATOM 899 N LYS A 50 -0.262 -6.888 -16.918 1.00 0.00 N ATOM 900 CA LYS A 50 -0.741 -8.059 -17.728 1.00 0.00 C ATOM 901 C LYS A 50 -1.432 -9.149 -16.873 1.00 0.00 C ATOM 902 O LYS A 50 -2.149 -9.966 -17.410 1.00 0.00 O ATOM 903 CB LYS A 50 0.466 -8.697 -18.412 1.00 0.00 C ATOM 904 CG LYS A 50 0.510 -8.297 -19.879 1.00 0.00 C ATOM 905 CD LYS A 50 1.888 -8.673 -20.466 1.00 0.00 C ATOM 906 CE LYS A 50 2.661 -7.408 -20.831 1.00 0.00 C ATOM 907 NZ LYS A 50 3.691 -7.736 -21.857 1.00 0.00 N ATOM 0 H LYS A 50 0.691 -6.594 -17.133 1.00 0.00 H new ATOM 0 HA LYS A 50 -1.474 -7.680 -18.440 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.383 -8.383 -17.914 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.411 -9.782 -18.325 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.283 -8.802 -20.430 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.338 -7.226 -19.982 1.00 0.00 H new ATOM 0 HD2 LYS A 50 2.454 -9.259 -19.742 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.758 -9.298 -21.350 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.979 -6.649 -21.214 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.136 -6.990 -19.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 4.440 -7.015 -21.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.103 -8.668 -21.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 3.250 -7.754 -22.799 1.00 0.00 H new ATOM 921 N ASN A 51 -1.199 -9.205 -15.581 1.00 0.00 N ATOM 922 CA ASN A 51 -1.824 -10.248 -14.753 1.00 0.00 C ATOM 923 C ASN A 51 -3.347 -10.150 -14.828 1.00 0.00 C ATOM 924 O ASN A 51 -4.049 -11.144 -14.837 1.00 0.00 O ATOM 925 CB ASN A 51 -1.354 -10.067 -13.346 1.00 0.00 C ATOM 926 CG ASN A 51 -0.077 -10.877 -13.106 1.00 0.00 C ATOM 927 OD1 ASN A 51 1.004 -10.447 -13.455 1.00 0.00 O ATOM 928 ND2 ASN A 51 -0.159 -12.040 -12.518 1.00 0.00 N ATOM 0 H ASN A 51 -0.594 -8.559 -15.074 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.540 -11.235 -15.117 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.166 -9.011 -13.151 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.131 -10.386 -12.652 1.00 0.00 H new ATOM 0 HD21 ASN A 51 0.685 -12.588 -12.352 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -1.067 -12.401 -12.225 1.00 0.00 H new ATOM 935 N TYR A 52 -3.850 -8.957 -14.905 1.00 0.00 N ATOM 936 CA TYR A 52 -5.313 -8.742 -15.009 1.00 0.00 C ATOM 937 C TYR A 52 -5.634 -8.466 -16.457 1.00 0.00 C ATOM 938 O TYR A 52 -6.518 -7.685 -16.767 1.00 0.00 O ATOM 939 CB TYR A 52 -5.707 -7.509 -14.172 1.00 0.00 C ATOM 940 CG TYR A 52 -5.703 -7.763 -12.711 1.00 0.00 C ATOM 941 CD1 TYR A 52 -4.756 -8.585 -12.096 1.00 0.00 C ATOM 942 CD2 TYR A 52 -6.652 -7.116 -11.961 1.00 0.00 C ATOM 943 CE1 TYR A 52 -4.787 -8.751 -10.723 1.00 0.00 C ATOM 944 CE2 TYR A 52 -6.688 -7.270 -10.602 1.00 0.00 C ATOM 945 CZ TYR A 52 -5.757 -8.092 -9.963 1.00 0.00 C ATOM 946 OH TYR A 52 -5.792 -8.249 -8.593 1.00 0.00 O ATOM 0 H TYR A 52 -3.295 -8.101 -14.900 1.00 0.00 H new ATOM 0 HA TYR A 52 -5.854 -9.616 -14.647 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.018 -6.694 -14.393 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -6.701 -7.177 -14.473 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.005 -9.087 -12.688 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -7.377 -6.480 -12.447 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -4.062 -9.389 -10.239 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -7.439 -6.754 -10.022 1.00 0.00 H new ATOM 0 HH TYR A 52 -5.527 -7.410 -8.161 1.00 0.00 H new ATOM 956 N ILE A 53 -4.910 -9.083 -17.359 1.00 0.00 N ATOM 957 CA ILE A 53 -5.157 -8.830 -18.790 1.00 0.00 C ATOM 958 C ILE A 53 -4.825 -10.045 -19.643 1.00 0.00 C ATOM 959 O ILE A 53 -4.032 -10.897 -19.288 1.00 0.00 O ATOM 960 CB ILE A 53 -4.282 -7.665 -19.347 1.00 0.00 C ATOM 961 CG1 ILE A 53 -3.594 -6.852 -18.226 1.00 0.00 C ATOM 962 CG2 ILE A 53 -5.128 -6.753 -20.243 1.00 0.00 C ATOM 963 CD1 ILE A 53 -4.555 -5.928 -17.534 1.00 0.00 C ATOM 0 H ILE A 53 -4.163 -9.747 -17.155 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.216 -8.580 -18.849 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.485 -8.111 -19.941 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.159 -7.535 -17.497 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.774 -6.272 -18.649 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.508 -5.943 -20.627 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.527 -7.331 -21.077 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.952 -6.336 -19.663 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -4.031 -5.376 -16.754 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -4.971 -5.227 -18.258 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -5.362 -6.510 -17.088 1.00 0.00 H new ATOM 975 N GLU A 54 -5.364 -10.040 -20.815 1.00 0.00 N ATOM 976 CA GLU A 54 -5.069 -11.061 -21.809 1.00 0.00 C ATOM 977 C GLU A 54 -5.099 -10.342 -23.146 1.00 0.00 C ATOM 978 O GLU A 54 -5.746 -9.332 -23.274 1.00 0.00 O ATOM 979 CB GLU A 54 -6.082 -12.178 -21.776 1.00 0.00 C ATOM 980 CG GLU A 54 -5.438 -13.452 -21.216 1.00 0.00 C ATOM 981 CD GLU A 54 -4.824 -14.260 -22.361 1.00 0.00 C ATOM 982 OE1 GLU A 54 -3.704 -13.956 -22.740 1.00 0.00 O ATOM 983 OE2 GLU A 54 -5.483 -15.168 -22.839 1.00 0.00 O ATOM 0 H GLU A 54 -6.027 -9.332 -21.129 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.104 -11.530 -21.619 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.934 -11.890 -21.160 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.463 -12.364 -22.780 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.670 -13.194 -20.487 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.185 -14.050 -20.694 1.00 0.00 H new ATOM 990 N MET A 55 -4.395 -10.818 -24.115 1.00 0.00 N ATOM 991 CA MET A 55 -4.354 -10.080 -25.439 1.00 0.00 C ATOM 992 C MET A 55 -5.231 -10.735 -26.487 1.00 0.00 C ATOM 993 O MET A 55 -4.969 -11.832 -26.945 1.00 0.00 O ATOM 994 CB MET A 55 -2.906 -9.976 -25.974 1.00 0.00 C ATOM 995 CG MET A 55 -2.110 -11.235 -25.632 1.00 0.00 C ATOM 996 SD MET A 55 -0.628 -11.316 -26.669 1.00 0.00 S ATOM 997 CE MET A 55 0.376 -12.322 -25.547 1.00 0.00 C ATOM 0 H MET A 55 -3.843 -11.675 -24.073 1.00 0.00 H new ATOM 0 HA MET A 55 -4.742 -9.080 -25.246 1.00 0.00 H new ATOM 0 HB2 MET A 55 -2.922 -9.833 -27.054 1.00 0.00 H new ATOM 0 HB3 MET A 55 -2.416 -9.102 -25.544 1.00 0.00 H new ATOM 0 HG2 MET A 55 -1.829 -11.225 -24.579 1.00 0.00 H new ATOM 0 HG3 MET A 55 -2.725 -12.121 -25.790 1.00 0.00 H new ATOM 0 HE1 MET A 55 1.354 -12.499 -25.994 1.00 0.00 H new ATOM 0 HE2 MET A 55 0.500 -11.797 -24.600 1.00 0.00 H new ATOM 0 HE3 MET A 55 -0.121 -13.276 -25.371 1.00 0.00 H new ATOM 1007 N LYS A 56 -6.277 -10.047 -26.878 1.00 0.00 N ATOM 1008 CA LYS A 56 -7.180 -10.566 -27.886 1.00 0.00 C ATOM 1009 C LYS A 56 -6.932 -9.898 -29.244 1.00 0.00 C ATOM 1010 O LYS A 56 -6.497 -8.747 -29.308 1.00 0.00 O ATOM 1011 CB LYS A 56 -8.587 -10.305 -27.438 1.00 0.00 C ATOM 1012 CG LYS A 56 -9.076 -11.491 -26.623 1.00 0.00 C ATOM 1013 CD LYS A 56 -10.407 -11.152 -25.932 1.00 0.00 C ATOM 1014 CE LYS A 56 -11.454 -10.762 -26.980 1.00 0.00 C ATOM 1015 NZ LYS A 56 -12.759 -10.487 -26.309 1.00 0.00 N ATOM 0 H LYS A 56 -6.527 -9.127 -26.516 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.010 -11.636 -28.006 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -8.629 -9.395 -26.840 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -9.234 -10.149 -28.301 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.206 -12.358 -27.271 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.329 -11.760 -25.876 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -10.757 -12.009 -25.357 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -10.263 -10.333 -25.227 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -11.123 -9.880 -27.528 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -11.570 -11.565 -27.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -13.461 -11.193 -26.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -12.637 -10.540 -25.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -13.090 -9.536 -26.570 1.00 0.00 H new