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 6 LYS NZ :NH3+ -120:sc= -0.64 (180deg=-1.64) USER MOD Set 1.2: A 7 TYR OH : rot 30:sc= 0.0725 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -119:sc= 0.128 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0.196 USER MOD Single : A 20 LYS NZ :NH3+ -160:sc= -0.0207 (180deg=-0.2) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.117 K(o=-0.12,f=-2.2!) USER MOD Single : A 37 TYR OH : rot 0:sc= -0.918 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0841) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 137:sc= -1.44 (180deg=-4.79!) USER MOD ----------------------------------------------------------------- ATOM 124 N MET A 1 -4.062 -3.501 -31.136 1.00 0.00 N ATOM 125 CA MET A 1 -5.004 -4.605 -30.811 1.00 0.00 C ATOM 126 C MET A 1 -5.637 -4.330 -29.471 1.00 0.00 C ATOM 127 O MET A 1 -5.478 -3.255 -28.913 1.00 0.00 O ATOM 128 CB MET A 1 -4.256 -5.936 -30.775 1.00 0.00 C ATOM 129 CG MET A 1 -4.287 -6.558 -32.165 1.00 0.00 C ATOM 130 SD MET A 1 -2.783 -7.528 -32.437 1.00 0.00 S ATOM 131 CE MET A 1 -2.113 -6.532 -33.792 1.00 0.00 C ATOM 0 H1 MET A 1 -4.369 -3.029 -32.010 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.051 -2.813 -30.356 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.106 -3.888 -31.269 1.00 0.00 H new ATOM 0 HA MET A 1 -5.779 -4.664 -31.576 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.226 -5.781 -30.455 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.717 -6.608 -30.051 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.165 -7.195 -32.269 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.369 -5.777 -32.921 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.166 -6.958 -34.123 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.818 -6.527 -34.623 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.951 -5.511 -33.447 1.00 0.00 H new ATOM 141 N GLU A 2 -6.363 -5.280 -28.937 1.00 0.00 N ATOM 142 CA GLU A 2 -7.002 -5.062 -27.649 1.00 0.00 C ATOM 143 C GLU A 2 -6.474 -6.093 -26.688 1.00 0.00 C ATOM 144 O GLU A 2 -5.681 -6.943 -27.047 1.00 0.00 O ATOM 145 CB GLU A 2 -8.519 -5.229 -27.814 1.00 0.00 C ATOM 146 CG GLU A 2 -9.246 -4.023 -27.217 1.00 0.00 C ATOM 147 CD GLU A 2 -10.672 -3.960 -27.770 1.00 0.00 C ATOM 148 OE1 GLU A 2 -10.830 -3.519 -28.897 1.00 0.00 O ATOM 149 OE2 GLU A 2 -11.580 -4.353 -27.058 1.00 0.00 O ATOM 0 H GLU A 2 -6.529 -6.195 -29.357 1.00 0.00 H new ATOM 0 HA GLU A 2 -6.792 -4.061 -27.273 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -8.769 -5.329 -28.870 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.848 -6.143 -27.321 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -9.269 -4.101 -26.130 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.710 -3.105 -27.459 1.00 0.00 H new ATOM 156 N ALA A 3 -6.908 -6.024 -25.485 1.00 0.00 N ATOM 157 CA ALA A 3 -6.465 -7.000 -24.467 1.00 0.00 C ATOM 158 C ALA A 3 -7.504 -7.107 -23.356 1.00 0.00 C ATOM 159 O ALA A 3 -7.758 -6.183 -22.618 1.00 0.00 O ATOM 160 CB ALA A 3 -5.127 -6.592 -23.929 1.00 0.00 C ATOM 0 H ALA A 3 -7.565 -5.321 -25.148 1.00 0.00 H new ATOM 0 HA ALA A 3 -6.364 -7.985 -24.923 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -4.802 -7.312 -23.179 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -4.402 -6.562 -24.742 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -5.203 -5.604 -23.475 1.00 0.00 H new ATOM 166 N ILE A 4 -8.123 -8.240 -23.277 1.00 0.00 N ATOM 167 CA ILE A 4 -9.199 -8.480 -22.276 1.00 0.00 C ATOM 168 C ILE A 4 -8.716 -8.309 -20.858 1.00 0.00 C ATOM 169 O ILE A 4 -7.868 -9.029 -20.388 1.00 0.00 O ATOM 170 CB ILE A 4 -9.730 -9.895 -22.450 1.00 0.00 C ATOM 171 CG1 ILE A 4 -10.788 -10.204 -21.370 1.00 0.00 C ATOM 172 CG2 ILE A 4 -8.591 -10.898 -22.344 1.00 0.00 C ATOM 173 CD1 ILE A 4 -11.966 -10.866 -22.014 1.00 0.00 C ATOM 0 H ILE A 4 -7.926 -9.038 -23.881 1.00 0.00 H new ATOM 0 HA ILE A 4 -9.981 -7.741 -22.449 1.00 0.00 H new ATOM 0 HB ILE A 4 -10.189 -9.974 -23.435 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -10.364 -10.853 -20.603 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -11.098 -9.285 -20.873 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -8.982 -11.908 -22.470 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -7.854 -10.695 -23.121 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -8.120 -10.811 -21.365 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -12.718 -11.087 -21.257 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -12.392 -10.200 -22.765 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -11.647 -11.793 -22.490 1.00 0.00 H new ATOM 185 N ALA A 5 -9.332 -7.411 -20.162 1.00 0.00 N ATOM 186 CA ALA A 5 -8.989 -7.216 -18.713 1.00 0.00 C ATOM 187 C ALA A 5 -9.585 -8.392 -17.924 1.00 0.00 C ATOM 188 O ALA A 5 -10.762 -8.410 -17.616 1.00 0.00 O ATOM 189 CB ALA A 5 -9.588 -5.914 -18.187 1.00 0.00 C ATOM 0 H ALA A 5 -10.062 -6.796 -20.522 1.00 0.00 H new ATOM 0 HA ALA A 5 -7.906 -7.170 -18.598 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -9.328 -5.792 -17.136 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.192 -5.074 -18.758 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -10.673 -5.944 -18.291 1.00 0.00 H new ATOM 195 N LYS A 6 -8.785 -9.377 -17.619 1.00 0.00 N ATOM 196 CA LYS A 6 -9.286 -10.572 -16.874 1.00 0.00 C ATOM 197 C LYS A 6 -9.881 -10.156 -15.525 1.00 0.00 C ATOM 198 O LYS A 6 -10.744 -10.828 -14.990 1.00 0.00 O ATOM 199 CB LYS A 6 -8.123 -11.531 -16.607 1.00 0.00 C ATOM 200 CG LYS A 6 -7.470 -11.939 -17.923 1.00 0.00 C ATOM 201 CD LYS A 6 -6.039 -12.414 -17.658 1.00 0.00 C ATOM 202 CE LYS A 6 -6.069 -13.814 -17.040 1.00 0.00 C ATOM 203 NZ LYS A 6 -6.149 -13.706 -15.556 1.00 0.00 N ATOM 0 H LYS A 6 -7.793 -9.407 -17.856 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.054 -11.055 -17.479 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -7.388 -11.053 -15.960 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.483 -12.415 -16.081 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.047 -12.734 -18.396 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -7.463 -11.096 -18.614 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -5.472 -12.428 -18.589 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -5.533 -11.720 -16.987 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -6.925 -14.372 -17.420 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.175 -14.368 -17.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.321 -14.168 -15.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -6.166 -12.703 -15.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -7.016 -14.172 -15.220 1.00 0.00 H new ATOM 217 N TYR A 7 -9.415 -9.065 -14.959 1.00 0.00 N ATOM 218 CA TYR A 7 -9.946 -8.628 -13.621 1.00 0.00 C ATOM 219 C TYR A 7 -10.047 -7.115 -13.555 1.00 0.00 C ATOM 220 O TYR A 7 -9.868 -6.416 -14.535 1.00 0.00 O ATOM 221 CB TYR A 7 -9.014 -9.108 -12.497 1.00 0.00 C ATOM 222 CG TYR A 7 -8.690 -10.573 -12.670 1.00 0.00 C ATOM 223 CD1 TYR A 7 -9.701 -11.536 -12.564 1.00 0.00 C ATOM 224 CD2 TYR A 7 -7.375 -10.964 -12.933 1.00 0.00 C ATOM 225 CE1 TYR A 7 -9.392 -12.892 -12.722 1.00 0.00 C ATOM 226 CE2 TYR A 7 -7.065 -12.316 -13.091 1.00 0.00 C ATOM 227 CZ TYR A 7 -8.073 -13.283 -12.985 1.00 0.00 C ATOM 228 OH TYR A 7 -7.768 -14.620 -13.142 1.00 0.00 O ATOM 0 H TYR A 7 -8.697 -8.462 -15.360 1.00 0.00 H new ATOM 0 HA TYR A 7 -10.936 -9.065 -13.494 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -8.095 -8.523 -12.504 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -9.488 -8.946 -11.529 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -10.717 -11.233 -12.361 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -6.597 -10.219 -13.014 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -10.170 -13.636 -12.641 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -6.048 -12.616 -13.295 1.00 0.00 H new ATOM 0 HH TYR A 7 -8.544 -15.091 -13.511 1.00 0.00 H new ATOM 238 N ASP A 8 -10.355 -6.615 -12.391 1.00 0.00 N ATOM 239 CA ASP A 8 -10.502 -5.161 -12.205 1.00 0.00 C ATOM 240 C ASP A 8 -9.189 -4.553 -11.665 1.00 0.00 C ATOM 241 O ASP A 8 -8.297 -5.254 -11.233 1.00 0.00 O ATOM 242 CB ASP A 8 -11.667 -4.937 -11.235 1.00 0.00 C ATOM 243 CG ASP A 8 -11.286 -5.380 -9.811 1.00 0.00 C ATOM 244 OD1 ASP A 8 -11.268 -6.576 -9.569 1.00 0.00 O ATOM 245 OD2 ASP A 8 -11.019 -4.515 -8.994 1.00 0.00 O ATOM 0 H ASP A 8 -10.512 -7.171 -11.550 1.00 0.00 H new ATOM 0 HA ASP A 8 -10.712 -4.666 -13.153 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -11.945 -3.883 -11.231 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -12.540 -5.495 -11.573 1.00 0.00 H new ATOM 250 N PHE A 9 -9.084 -3.248 -11.696 1.00 0.00 N ATOM 251 CA PHE A 9 -7.851 -2.554 -11.203 1.00 0.00 C ATOM 252 C PHE A 9 -7.969 -1.058 -11.517 1.00 0.00 C ATOM 253 O PHE A 9 -8.925 -0.617 -12.121 1.00 0.00 O ATOM 254 CB PHE A 9 -6.600 -3.127 -11.911 1.00 0.00 C ATOM 255 CG PHE A 9 -5.531 -3.448 -10.887 1.00 0.00 C ATOM 256 CD1 PHE A 9 -5.855 -4.205 -9.757 1.00 0.00 C ATOM 257 CD2 PHE A 9 -4.223 -2.990 -11.072 1.00 0.00 C ATOM 258 CE1 PHE A 9 -4.870 -4.506 -8.809 1.00 0.00 C ATOM 259 CE2 PHE A 9 -3.236 -3.291 -10.125 1.00 0.00 C ATOM 260 CZ PHE A 9 -3.560 -4.050 -8.993 1.00 0.00 C ATOM 0 H PHE A 9 -9.810 -2.624 -12.047 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.752 -2.708 -10.129 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.866 -4.026 -12.467 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.219 -2.406 -12.634 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -6.866 -4.558 -9.615 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -3.974 -2.404 -11.945 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -5.121 -5.090 -7.936 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.225 -2.938 -10.267 1.00 0.00 H new ATOM 0 HZ PHE A 9 -2.799 -4.283 -8.263 1.00 0.00 H new ATOM 270 N LYS A 10 -7.001 -0.282 -11.107 1.00 0.00 N ATOM 271 CA LYS A 10 -7.044 1.188 -11.377 1.00 0.00 C ATOM 272 C LYS A 10 -5.646 1.711 -11.627 1.00 0.00 C ATOM 273 O LYS A 10 -4.666 0.996 -11.495 1.00 0.00 O ATOM 274 CB LYS A 10 -7.705 1.917 -10.182 1.00 0.00 C ATOM 275 CG LYS A 10 -6.775 1.932 -8.951 1.00 0.00 C ATOM 276 CD LYS A 10 -6.580 0.505 -8.433 1.00 0.00 C ATOM 277 CE LYS A 10 -6.478 0.522 -6.908 1.00 0.00 C ATOM 278 NZ LYS A 10 -6.932 -0.791 -6.369 1.00 0.00 N ATOM 0 H LYS A 10 -6.179 -0.603 -10.595 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.640 1.377 -12.270 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.950 2.940 -10.468 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.643 1.424 -9.926 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.812 2.367 -9.217 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -7.203 2.558 -8.168 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.415 -0.123 -8.745 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.677 0.072 -8.863 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.450 0.717 -6.603 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.090 1.327 -6.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.864 -0.783 -5.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.919 -0.959 -6.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.330 -1.549 -6.749 1.00 0.00 H new ATOM 292 N ALA A 11 -5.547 2.959 -11.992 1.00 0.00 N ATOM 293 CA ALA A 11 -4.226 3.542 -12.258 1.00 0.00 C ATOM 294 C ALA A 11 -3.604 3.959 -10.922 1.00 0.00 C ATOM 295 O ALA A 11 -4.243 4.613 -10.117 1.00 0.00 O ATOM 296 CB ALA A 11 -4.360 4.760 -13.161 1.00 0.00 C ATOM 0 H ALA A 11 -6.335 3.594 -12.115 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.594 2.808 -12.758 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.373 5.183 -13.350 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.815 4.464 -14.106 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.987 5.507 -12.674 1.00 0.00 H new ATOM 302 N THR A 12 -2.376 3.590 -10.677 1.00 0.00 N ATOM 303 CA THR A 12 -1.724 3.973 -9.378 1.00 0.00 C ATOM 304 C THR A 12 -0.635 5.007 -9.646 1.00 0.00 C ATOM 305 O THR A 12 -0.474 5.958 -8.904 1.00 0.00 O ATOM 306 CB THR A 12 -1.114 2.734 -8.696 1.00 0.00 C ATOM 307 OG1 THR A 12 -0.238 3.154 -7.659 1.00 0.00 O ATOM 308 CG2 THR A 12 -0.335 1.897 -9.711 1.00 0.00 C ATOM 0 H THR A 12 -1.794 3.043 -11.312 1.00 0.00 H new ATOM 0 HA THR A 12 -2.477 4.397 -8.713 1.00 0.00 H new ATOM 0 HB THR A 12 -1.918 2.126 -8.281 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.151 2.368 -7.221 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.090 1.025 -9.214 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.006 1.571 -10.505 1.00 0.00 H new ATOM 0 HG23 THR A 12 0.468 2.498 -10.139 1.00 0.00 H new ATOM 316 N ALA A 13 0.098 4.837 -10.713 1.00 0.00 N ATOM 317 CA ALA A 13 1.166 5.816 -11.056 1.00 0.00 C ATOM 318 C ALA A 13 0.572 6.907 -11.896 1.00 0.00 C ATOM 319 O ALA A 13 -0.509 6.779 -12.442 1.00 0.00 O ATOM 320 CB ALA A 13 2.278 5.129 -11.847 1.00 0.00 C ATOM 0 H ALA A 13 0.002 4.058 -11.364 1.00 0.00 H new ATOM 0 HA ALA A 13 1.584 6.228 -10.137 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.053 5.856 -12.092 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.709 4.327 -11.248 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.867 4.713 -12.767 1.00 0.00 H new ATOM 326 N ASP A 14 1.276 7.980 -12.008 1.00 0.00 N ATOM 327 CA ASP A 14 0.802 9.119 -12.816 1.00 0.00 C ATOM 328 C ASP A 14 0.634 8.673 -14.273 1.00 0.00 C ATOM 329 O ASP A 14 -0.166 9.217 -15.012 1.00 0.00 O ATOM 330 CB ASP A 14 1.844 10.202 -12.713 1.00 0.00 C ATOM 331 CG ASP A 14 1.200 11.570 -12.944 1.00 0.00 C ATOM 332 OD1 ASP A 14 0.233 11.870 -12.264 1.00 0.00 O ATOM 333 OD2 ASP A 14 1.687 12.295 -13.796 1.00 0.00 O ATOM 0 H ASP A 14 2.183 8.121 -11.563 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.161 9.486 -12.460 1.00 0.00 H new ATOM 0 HB2 ASP A 14 2.314 10.173 -11.730 1.00 0.00 H new ATOM 0 HB3 ASP A 14 2.631 10.032 -13.448 1.00 0.00 H new ATOM 338 N ASP A 15 1.395 7.682 -14.684 1.00 0.00 N ATOM 339 CA ASP A 15 1.314 7.188 -16.055 1.00 0.00 C ATOM 340 C ASP A 15 0.710 5.765 -16.080 1.00 0.00 C ATOM 341 O ASP A 15 1.107 4.933 -16.878 1.00 0.00 O ATOM 342 CB ASP A 15 2.731 7.192 -16.655 1.00 0.00 C ATOM 343 CG ASP A 15 3.601 6.082 -16.031 1.00 0.00 C ATOM 344 OD1 ASP A 15 3.278 5.641 -14.941 1.00 0.00 O ATOM 345 OD2 ASP A 15 4.573 5.697 -16.660 1.00 0.00 O ATOM 0 H ASP A 15 2.076 7.200 -14.097 1.00 0.00 H new ATOM 0 HA ASP A 15 0.663 7.831 -16.647 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.673 7.049 -17.734 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.198 8.162 -16.486 1.00 0.00 H new ATOM 350 N GLU A 16 -0.243 5.482 -15.216 1.00 0.00 N ATOM 351 CA GLU A 16 -0.856 4.128 -15.198 1.00 0.00 C ATOM 352 C GLU A 16 -2.272 4.214 -15.763 1.00 0.00 C ATOM 353 O GLU A 16 -2.781 5.293 -16.015 1.00 0.00 O ATOM 354 CB GLU A 16 -0.885 3.604 -13.760 1.00 0.00 C ATOM 355 CG GLU A 16 -1.059 2.081 -13.773 1.00 0.00 C ATOM 356 CD GLU A 16 -0.094 1.424 -12.777 1.00 0.00 C ATOM 357 OE1 GLU A 16 0.962 1.989 -12.537 1.00 0.00 O ATOM 358 OE2 GLU A 16 -0.425 0.361 -12.277 1.00 0.00 O ATOM 0 H GLU A 16 -0.616 6.136 -14.527 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.270 3.442 -15.810 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.039 3.871 -13.246 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.702 4.069 -13.209 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.087 1.824 -13.517 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.874 1.696 -14.776 1.00 0.00 H new ATOM 365 N LEU A 17 -2.907 3.088 -15.991 1.00 0.00 N ATOM 366 CA LEU A 17 -4.281 3.110 -16.569 1.00 0.00 C ATOM 367 C LEU A 17 -5.253 2.344 -15.669 1.00 0.00 C ATOM 368 O LEU A 17 -4.878 1.436 -14.951 1.00 0.00 O ATOM 369 CB LEU A 17 -4.229 2.477 -17.975 1.00 0.00 C ATOM 370 CG LEU A 17 -5.628 2.424 -18.607 1.00 0.00 C ATOM 371 CD1 LEU A 17 -6.087 3.841 -18.961 1.00 0.00 C ATOM 372 CD2 LEU A 17 -5.584 1.560 -19.887 1.00 0.00 C ATOM 0 H LEU A 17 -2.531 2.159 -15.801 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.637 4.138 -16.641 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.560 3.054 -18.613 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.817 1.470 -17.909 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.329 1.985 -17.897 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.080 3.801 -19.409 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.122 4.449 -18.057 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.387 4.284 -19.669 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.577 1.523 -20.335 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.882 1.997 -20.597 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.262 0.550 -19.633 1.00 0.00 H new ATOM 384 N SER A 18 -6.508 2.729 -15.702 1.00 0.00 N ATOM 385 CA SER A 18 -7.527 2.068 -14.863 1.00 0.00 C ATOM 386 C SER A 18 -8.486 1.250 -15.736 1.00 0.00 C ATOM 387 O SER A 18 -8.576 1.448 -16.932 1.00 0.00 O ATOM 388 CB SER A 18 -8.308 3.131 -14.143 1.00 0.00 C ATOM 389 OG SER A 18 -7.459 4.232 -13.840 1.00 0.00 O ATOM 0 H SER A 18 -6.862 3.485 -16.287 1.00 0.00 H new ATOM 0 HA SER A 18 -7.038 1.399 -14.155 1.00 0.00 H new ATOM 0 HB2 SER A 18 -9.143 3.463 -14.761 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.733 2.724 -13.225 1.00 0.00 H new ATOM 0 HG SER A 18 -7.973 4.923 -13.372 1.00 0.00 H new ATOM 395 N PHE A 19 -9.211 0.344 -15.131 1.00 0.00 N ATOM 396 CA PHE A 19 -10.189 -0.491 -15.894 1.00 0.00 C ATOM 397 C PHE A 19 -10.873 -1.459 -14.925 1.00 0.00 C ATOM 398 O PHE A 19 -10.466 -1.594 -13.794 1.00 0.00 O ATOM 399 CB PHE A 19 -9.465 -1.287 -16.993 1.00 0.00 C ATOM 400 CG PHE A 19 -8.377 -2.142 -16.381 1.00 0.00 C ATOM 401 CD1 PHE A 19 -8.709 -3.346 -15.748 1.00 0.00 C ATOM 402 CD2 PHE A 19 -7.040 -1.733 -16.450 1.00 0.00 C ATOM 403 CE1 PHE A 19 -7.705 -4.140 -15.183 1.00 0.00 C ATOM 404 CE2 PHE A 19 -6.036 -2.528 -15.884 1.00 0.00 C ATOM 405 CZ PHE A 19 -6.368 -3.731 -15.251 1.00 0.00 C ATOM 0 H PHE A 19 -9.167 0.145 -14.132 1.00 0.00 H new ATOM 0 HA PHE A 19 -10.931 0.156 -16.363 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -10.177 -1.917 -17.526 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -9.034 -0.604 -17.724 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.740 -3.662 -15.696 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -6.783 -0.805 -16.939 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.962 -5.068 -14.694 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.004 -2.212 -15.936 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.593 -4.344 -14.815 1.00 0.00 H new ATOM 415 N LYS A 20 -11.908 -2.126 -15.361 1.00 0.00 N ATOM 416 CA LYS A 20 -12.620 -3.083 -14.467 1.00 0.00 C ATOM 417 C LYS A 20 -12.533 -4.485 -15.043 1.00 0.00 C ATOM 418 O LYS A 20 -11.984 -4.702 -16.108 1.00 0.00 O ATOM 419 CB LYS A 20 -14.083 -2.685 -14.368 1.00 0.00 C ATOM 420 CG LYS A 20 -14.180 -1.261 -13.854 1.00 0.00 C ATOM 421 CD LYS A 20 -14.073 -1.256 -12.328 1.00 0.00 C ATOM 422 CE LYS A 20 -15.470 -1.385 -11.719 1.00 0.00 C ATOM 423 NZ LYS A 20 -16.185 -0.083 -11.835 1.00 0.00 N ATOM 0 H LYS A 20 -12.292 -2.048 -16.303 1.00 0.00 H new ATOM 0 HA LYS A 20 -12.158 -3.062 -13.480 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -14.561 -2.765 -15.344 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.612 -3.363 -13.698 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.385 -0.653 -14.286 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -15.126 -0.816 -14.163 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -13.442 -2.079 -11.994 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -13.600 -0.334 -11.989 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -16.031 -2.167 -12.231 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -15.396 -1.679 -10.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -16.966 -0.054 -11.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -15.523 0.695 -11.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -16.565 0.020 -12.798 1.00 0.00 H new ATOM 437 N ARG A 21 -13.087 -5.435 -14.346 1.00 0.00 N ATOM 438 CA ARG A 21 -13.071 -6.833 -14.830 1.00 0.00 C ATOM 439 C ARG A 21 -14.057 -6.954 -15.994 1.00 0.00 C ATOM 440 O ARG A 21 -15.258 -6.871 -15.816 1.00 0.00 O ATOM 441 CB ARG A 21 -13.488 -7.726 -13.676 1.00 0.00 C ATOM 442 CG ARG A 21 -13.569 -9.187 -14.115 1.00 0.00 C ATOM 443 CD ARG A 21 -14.108 -10.009 -12.947 1.00 0.00 C ATOM 444 NE ARG A 21 -15.257 -10.837 -13.409 1.00 0.00 N ATOM 445 CZ ARG A 21 -16.472 -10.363 -13.338 1.00 0.00 C ATOM 446 NH1 ARG A 21 -16.757 -9.211 -13.881 1.00 0.00 N ATOM 447 NH2 ARG A 21 -17.401 -11.041 -12.721 1.00 0.00 N ATOM 0 H ARG A 21 -13.555 -5.296 -13.451 1.00 0.00 H new ATOM 0 HA ARG A 21 -12.081 -7.128 -15.178 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -12.774 -7.627 -12.859 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -14.456 -7.403 -13.294 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -14.221 -9.287 -14.983 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -12.585 -9.549 -14.412 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -13.322 -10.650 -12.547 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -14.424 -9.349 -12.139 1.00 0.00 H new ATOM 0 HE ARG A 21 -15.095 -11.773 -13.780 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -16.031 -8.680 -14.361 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -17.706 -8.842 -13.825 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -17.178 -11.940 -12.295 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -18.350 -10.671 -12.665 1.00 0.00 H new ATOM 461 N GLY A 22 -13.550 -7.121 -17.184 1.00 0.00 N ATOM 462 CA GLY A 22 -14.438 -7.216 -18.380 1.00 0.00 C ATOM 463 C GLY A 22 -14.243 -5.967 -19.267 1.00 0.00 C ATOM 464 O GLY A 22 -14.899 -5.812 -20.281 1.00 0.00 O ATOM 0 H GLY A 22 -12.552 -7.196 -17.382 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -14.207 -8.118 -18.947 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -15.479 -7.294 -18.068 1.00 0.00 H new ATOM 468 N ASP A 23 -13.333 -5.082 -18.893 1.00 0.00 N ATOM 469 CA ASP A 23 -13.077 -3.889 -19.672 1.00 0.00 C ATOM 470 C ASP A 23 -11.830 -4.133 -20.486 1.00 0.00 C ATOM 471 O ASP A 23 -10.740 -4.176 -19.954 1.00 0.00 O ATOM 472 CB ASP A 23 -12.856 -2.700 -18.727 1.00 0.00 C ATOM 473 CG ASP A 23 -13.786 -1.546 -19.111 1.00 0.00 C ATOM 474 OD1 ASP A 23 -14.986 -1.705 -18.966 1.00 0.00 O ATOM 475 OD2 ASP A 23 -13.281 -0.523 -19.542 1.00 0.00 O ATOM 0 H ASP A 23 -12.761 -5.171 -18.053 1.00 0.00 H new ATOM 0 HA ASP A 23 -13.920 -3.665 -20.325 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -13.045 -3.003 -17.697 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.817 -2.373 -18.777 1.00 0.00 H new ATOM 480 N ILE A 24 -11.978 -4.317 -21.752 1.00 0.00 N ATOM 481 CA ILE A 24 -10.793 -4.583 -22.612 1.00 0.00 C ATOM 482 C ILE A 24 -10.106 -3.255 -22.943 1.00 0.00 C ATOM 483 O ILE A 24 -10.749 -2.240 -23.132 1.00 0.00 O ATOM 484 CB ILE A 24 -11.220 -5.326 -23.885 1.00 0.00 C ATOM 485 CG1 ILE A 24 -12.250 -6.432 -23.505 1.00 0.00 C ATOM 486 CG2 ILE A 24 -9.970 -5.954 -24.504 1.00 0.00 C ATOM 487 CD1 ILE A 24 -12.459 -7.418 -24.660 1.00 0.00 C ATOM 0 H ILE A 24 -12.873 -4.296 -22.242 1.00 0.00 H new ATOM 0 HA ILE A 24 -10.084 -5.219 -22.082 1.00 0.00 H new ATOM 0 HB ILE A 24 -11.684 -4.646 -24.600 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -11.901 -6.970 -22.623 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -13.202 -5.971 -23.241 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -10.244 -6.490 -25.413 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -9.252 -5.171 -24.747 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -9.522 -6.649 -23.794 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -13.183 -8.177 -24.364 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -12.832 -6.882 -25.533 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.511 -7.897 -24.906 1.00 0.00 H new ATOM 499 N LEU A 25 -8.796 -3.258 -22.982 1.00 0.00 N ATOM 500 CA LEU A 25 -8.037 -1.993 -23.262 1.00 0.00 C ATOM 501 C LEU A 25 -7.534 -1.984 -24.706 1.00 0.00 C ATOM 502 O LEU A 25 -7.500 -3.009 -25.369 1.00 0.00 O ATOM 503 CB LEU A 25 -6.815 -1.879 -22.306 1.00 0.00 C ATOM 504 CG LEU A 25 -7.130 -2.378 -20.857 1.00 0.00 C ATOM 505 CD1 LEU A 25 -8.553 -1.995 -20.428 1.00 0.00 C ATOM 506 CD2 LEU A 25 -6.973 -3.903 -20.787 1.00 0.00 C ATOM 0 H LEU A 25 -8.215 -4.083 -22.832 1.00 0.00 H new ATOM 0 HA LEU A 25 -8.710 -1.150 -23.104 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.986 -2.458 -22.713 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.488 -0.840 -22.264 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.426 -1.898 -20.178 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.738 -2.357 -19.417 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.660 -0.911 -20.450 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.273 -2.445 -21.112 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.193 -4.245 -19.776 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -7.663 -4.372 -21.488 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.950 -4.176 -21.048 1.00 0.00 H new ATOM 518 N LYS A 26 -7.121 -0.824 -25.193 1.00 0.00 N ATOM 519 CA LYS A 26 -6.597 -0.744 -26.606 1.00 0.00 C ATOM 520 C LYS A 26 -5.071 -0.668 -26.553 1.00 0.00 C ATOM 521 O LYS A 26 -4.507 0.385 -26.359 1.00 0.00 O ATOM 522 CB LYS A 26 -7.158 0.508 -27.292 1.00 0.00 C ATOM 523 CG LYS A 26 -7.534 0.177 -28.739 1.00 0.00 C ATOM 524 CD LYS A 26 -8.774 0.976 -29.142 1.00 0.00 C ATOM 525 CE LYS A 26 -9.318 0.442 -30.468 1.00 0.00 C ATOM 526 NZ LYS A 26 -10.391 1.350 -30.965 1.00 0.00 N ATOM 0 H LYS A 26 -7.124 0.058 -24.680 1.00 0.00 H new ATOM 0 HA LYS A 26 -6.905 -1.623 -27.172 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -8.033 0.869 -26.752 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.418 1.308 -27.272 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -6.704 0.414 -29.404 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -7.728 -0.891 -28.840 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.537 0.899 -28.367 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -8.523 2.032 -29.239 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -8.515 0.374 -31.202 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -9.712 -0.565 -30.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -10.762 0.988 -31.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.160 1.393 -30.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -10.000 2.303 -31.109 1.00 0.00 H new ATOM 540 N VAL A 27 -4.398 -1.783 -26.700 1.00 0.00 N ATOM 541 CA VAL A 27 -2.908 -1.774 -26.607 1.00 0.00 C ATOM 542 C VAL A 27 -2.283 -0.845 -27.645 1.00 0.00 C ATOM 543 O VAL A 27 -2.254 -1.132 -28.827 1.00 0.00 O ATOM 544 CB VAL A 27 -2.356 -3.190 -26.786 1.00 0.00 C ATOM 545 CG1 VAL A 27 -0.861 -3.190 -26.442 1.00 0.00 C ATOM 546 CG2 VAL A 27 -3.092 -4.151 -25.843 1.00 0.00 C ATOM 0 H VAL A 27 -4.816 -2.696 -26.880 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.645 -1.402 -25.617 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.501 -3.513 -27.817 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.459 -4.195 -26.567 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.335 -2.504 -27.106 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.725 -2.871 -25.409 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.698 -5.159 -25.971 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.945 -3.832 -24.811 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.157 -4.145 -26.076 1.00 0.00 H new ATOM 556 N LEU A 28 -1.741 0.255 -27.186 1.00 0.00 N ATOM 557 CA LEU A 28 -1.062 1.212 -28.095 1.00 0.00 C ATOM 558 C LEU A 28 0.369 0.719 -28.272 1.00 0.00 C ATOM 559 O LEU A 28 0.953 0.831 -29.334 1.00 0.00 O ATOM 560 CB LEU A 28 -1.010 2.630 -27.475 1.00 0.00 C ATOM 561 CG LEU A 28 -2.330 2.980 -26.754 1.00 0.00 C ATOM 562 CD1 LEU A 28 -2.017 3.504 -25.342 1.00 0.00 C ATOM 563 CD2 LEU A 28 -3.075 4.064 -27.544 1.00 0.00 C ATOM 0 H LEU A 28 -1.743 0.529 -26.204 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.604 1.267 -29.039 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.182 2.690 -26.769 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.816 3.364 -28.257 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.953 2.088 -26.685 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.948 3.752 -24.831 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.487 2.736 -24.778 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.394 4.396 -25.415 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.006 4.310 -27.034 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.453 4.956 -27.614 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.296 3.697 -28.546 1.00 0.00 H new ATOM 575 N ASN A 29 0.937 0.154 -27.221 1.00 0.00 N ATOM 576 CA ASN A 29 2.333 -0.367 -27.312 1.00 0.00 C ATOM 577 C ASN A 29 2.367 -1.804 -26.797 1.00 0.00 C ATOM 578 O ASN A 29 2.082 -2.068 -25.635 1.00 0.00 O ATOM 579 CB ASN A 29 3.281 0.498 -26.477 1.00 0.00 C ATOM 580 CG ASN A 29 4.727 0.219 -26.894 1.00 0.00 C ATOM 581 OD1 ASN A 29 4.980 -0.225 -27.998 1.00 0.00 O ATOM 582 ND2 ASN A 29 5.696 0.464 -26.052 1.00 0.00 N ATOM 0 H ASN A 29 0.489 0.036 -26.312 1.00 0.00 H new ATOM 0 HA ASN A 29 2.657 -0.337 -28.352 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.048 1.553 -26.619 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.149 0.282 -25.417 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.663 0.283 -26.321 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.485 0.836 -25.126 1.00 0.00 H new ATOM 673 N TRP A 36 3.595 -5.467 -17.764 1.00 0.00 N ATOM 674 CA TRP A 36 2.488 -4.478 -18.041 1.00 0.00 C ATOM 675 C TRP A 36 2.641 -3.921 -19.478 1.00 0.00 C ATOM 676 O TRP A 36 3.733 -3.643 -19.933 1.00 0.00 O ATOM 677 CB TRP A 36 2.514 -3.281 -17.043 1.00 0.00 C ATOM 678 CG TRP A 36 2.633 -3.729 -15.592 1.00 0.00 C ATOM 679 CD1 TRP A 36 3.609 -4.534 -15.092 1.00 0.00 C ATOM 680 CD2 TRP A 36 1.791 -3.362 -14.434 1.00 0.00 C ATOM 681 NE1 TRP A 36 3.405 -4.697 -13.732 1.00 0.00 N ATOM 682 CE2 TRP A 36 2.316 -3.996 -13.281 1.00 0.00 C ATOM 683 CE3 TRP A 36 0.635 -2.558 -14.268 1.00 0.00 C ATOM 684 CZ2 TRP A 36 1.735 -3.840 -12.021 1.00 0.00 C ATOM 685 CZ3 TRP A 36 0.054 -2.403 -12.990 1.00 0.00 C ATOM 686 CH2 TRP A 36 0.607 -3.039 -11.874 1.00 0.00 C ATOM 0 HA TRP A 36 1.541 -5.005 -17.925 1.00 0.00 H new ATOM 0 HB2 TRP A 36 3.352 -2.628 -17.287 1.00 0.00 H new ATOM 0 HB3 TRP A 36 1.605 -2.692 -17.164 1.00 0.00 H new ATOM 0 HD1 TRP A 36 4.413 -4.975 -15.663 1.00 0.00 H new ATOM 0 HE1 TRP A 36 3.997 -5.273 -13.134 1.00 0.00 H new ATOM 0 HE3 TRP A 36 0.197 -2.062 -15.122 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 2.160 -4.340 -11.163 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.826 -1.787 -12.874 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.159 -2.909 -10.900 1.00 0.00 H new ATOM 697 N TYR A 37 1.542 -3.756 -20.184 1.00 0.00 N ATOM 698 CA TYR A 37 1.593 -3.216 -21.589 1.00 0.00 C ATOM 699 C TYR A 37 1.206 -1.733 -21.582 1.00 0.00 C ATOM 700 O TYR A 37 1.009 -1.153 -20.561 1.00 0.00 O ATOM 701 CB TYR A 37 0.537 -3.918 -22.451 1.00 0.00 C ATOM 702 CG TYR A 37 0.747 -5.407 -22.513 1.00 0.00 C ATOM 703 CD1 TYR A 37 2.022 -5.945 -22.722 1.00 0.00 C ATOM 704 CD2 TYR A 37 -0.360 -6.251 -22.388 1.00 0.00 C ATOM 705 CE1 TYR A 37 2.186 -7.334 -22.799 1.00 0.00 C ATOM 706 CE2 TYR A 37 -0.203 -7.631 -22.469 1.00 0.00 C ATOM 707 CZ TYR A 37 1.073 -8.178 -22.675 1.00 0.00 C ATOM 708 OH TYR A 37 1.232 -9.547 -22.755 1.00 0.00 O ATOM 0 H TYR A 37 0.605 -3.974 -19.845 1.00 0.00 H new ATOM 0 HA TYR A 37 2.600 -3.372 -21.976 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -0.454 -3.710 -22.048 1.00 0.00 H new ATOM 0 HB3 TYR A 37 0.564 -3.507 -23.460 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.876 -5.292 -22.824 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -1.342 -5.830 -22.228 1.00 0.00 H new ATOM 0 HE1 TYR A 37 3.169 -7.755 -22.954 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.061 -8.280 -22.374 1.00 0.00 H new ATOM 0 HH TYR A 37 2.178 -9.759 -22.900 1.00 0.00 H new ATOM 718 N LYS A 38 1.033 -1.151 -22.745 1.00 0.00 N ATOM 719 CA LYS A 38 0.571 0.262 -22.841 1.00 0.00 C ATOM 720 C LYS A 38 -0.765 0.198 -23.573 1.00 0.00 C ATOM 721 O LYS A 38 -0.911 -0.589 -24.487 1.00 0.00 O ATOM 722 CB LYS A 38 1.557 1.085 -23.661 1.00 0.00 C ATOM 723 CG LYS A 38 1.267 2.569 -23.449 1.00 0.00 C ATOM 724 CD LYS A 38 1.616 3.360 -24.723 1.00 0.00 C ATOM 725 CE LYS A 38 2.676 4.420 -24.399 1.00 0.00 C ATOM 726 NZ LYS A 38 3.061 5.136 -25.649 1.00 0.00 N ATOM 0 H LYS A 38 1.196 -1.606 -23.643 1.00 0.00 H new ATOM 0 HA LYS A 38 0.488 0.726 -21.858 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.579 0.855 -23.361 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.470 0.832 -24.718 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.215 2.711 -23.200 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.848 2.945 -22.607 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.988 2.683 -25.492 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.721 3.837 -25.123 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.286 5.128 -23.667 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.552 3.949 -23.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.780 5.855 -25.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.449 4.456 -26.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.223 5.597 -26.057 1.00 0.00 H new ATOM 740 N ALA A 39 -1.754 0.971 -23.182 1.00 0.00 N ATOM 741 CA ALA A 39 -3.074 0.876 -23.891 1.00 0.00 C ATOM 742 C ALA A 39 -3.954 2.025 -23.576 1.00 0.00 C ATOM 743 O ALA A 39 -3.549 2.978 -22.947 1.00 0.00 O ATOM 744 CB ALA A 39 -3.749 -0.427 -23.510 1.00 0.00 C ATOM 0 H ALA A 39 -1.708 1.649 -22.421 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.890 0.899 -24.965 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.709 -0.503 -24.021 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.115 -1.264 -23.802 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.909 -0.452 -22.432 1.00 0.00 H new ATOM 750 N GLU A 40 -5.157 1.977 -24.077 1.00 0.00 N ATOM 751 CA GLU A 40 -6.054 3.104 -23.880 1.00 0.00 C ATOM 752 C GLU A 40 -7.527 2.686 -23.876 1.00 0.00 C ATOM 753 O GLU A 40 -8.011 1.971 -24.729 1.00 0.00 O ATOM 754 CB GLU A 40 -5.721 4.133 -24.977 1.00 0.00 C ATOM 755 CG GLU A 40 -6.877 4.347 -25.978 1.00 0.00 C ATOM 756 CD GLU A 40 -6.522 5.482 -26.941 1.00 0.00 C ATOM 757 OE1 GLU A 40 -6.076 6.515 -26.469 1.00 0.00 O ATOM 758 OE2 GLU A 40 -6.702 5.299 -28.134 1.00 0.00 O ATOM 0 H GLU A 40 -5.540 1.198 -24.612 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.904 3.547 -22.895 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.472 5.086 -24.510 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.835 3.803 -25.519 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.063 3.429 -26.535 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.796 4.586 -25.442 1.00 0.00 H new ATOM 765 N LEU A 41 -8.214 3.183 -22.921 1.00 0.00 N ATOM 766 CA LEU A 41 -9.671 2.905 -22.774 1.00 0.00 C ATOM 767 C LEU A 41 -10.498 4.043 -23.255 1.00 0.00 C ATOM 768 O LEU A 41 -10.791 4.983 -22.547 1.00 0.00 O ATOM 769 CB LEU A 41 -10.020 2.603 -21.333 1.00 0.00 C ATOM 770 CG LEU A 41 -9.894 1.123 -21.127 1.00 0.00 C ATOM 771 CD1 LEU A 41 -9.681 0.821 -19.640 1.00 0.00 C ATOM 772 CD2 LEU A 41 -11.177 0.464 -21.625 1.00 0.00 C ATOM 0 H LEU A 41 -7.828 3.794 -22.202 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.892 2.033 -23.389 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.353 3.140 -20.659 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -11.034 2.934 -21.109 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.038 0.733 -21.679 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -9.590 -0.256 -19.497 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -8.770 1.311 -19.296 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -10.531 1.193 -19.068 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -11.110 -0.615 -21.486 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -12.027 0.850 -21.062 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -11.312 0.685 -22.684 1.00 0.00 H new ATOM 784 N ASN A 42 -10.922 3.915 -24.453 1.00 0.00 N ATOM 785 CA ASN A 42 -11.811 4.926 -25.089 1.00 0.00 C ATOM 786 C ASN A 42 -11.403 6.394 -24.789 1.00 0.00 C ATOM 787 O ASN A 42 -12.230 7.286 -24.866 1.00 0.00 O ATOM 788 CB ASN A 42 -13.209 4.710 -24.560 1.00 0.00 C ATOM 789 CG ASN A 42 -13.962 3.725 -25.459 1.00 0.00 C ATOM 790 OD1 ASN A 42 -14.660 4.125 -26.369 1.00 0.00 O ATOM 791 ND2 ASN A 42 -13.848 2.444 -25.237 1.00 0.00 N ATOM 0 H ASN A 42 -10.689 3.125 -25.055 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.738 4.789 -26.168 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -13.166 4.325 -23.541 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -13.742 5.660 -24.520 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -14.345 1.778 -25.828 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -13.262 2.109 -24.473 1.00 0.00 H new ATOM 798 N GLY A 43 -10.173 6.648 -24.455 1.00 0.00 N ATOM 799 CA GLY A 43 -9.757 8.061 -24.158 1.00 0.00 C ATOM 800 C GLY A 43 -8.606 8.080 -23.151 1.00 0.00 C ATOM 801 O GLY A 43 -7.688 8.873 -23.270 1.00 0.00 O ATOM 0 H GLY A 43 -9.434 5.950 -24.372 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.451 8.557 -25.079 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.604 8.620 -23.761 1.00 0.00 H new ATOM 805 N LYS A 44 -8.631 7.205 -22.168 1.00 0.00 N ATOM 806 CA LYS A 44 -7.551 7.161 -21.189 1.00 0.00 C ATOM 807 C LYS A 44 -6.497 6.250 -21.712 1.00 0.00 C ATOM 808 O LYS A 44 -6.664 5.618 -22.735 1.00 0.00 O ATOM 809 CB LYS A 44 -8.052 6.631 -19.857 1.00 0.00 C ATOM 810 CG LYS A 44 -8.531 7.797 -19.008 1.00 0.00 C ATOM 811 CD LYS A 44 -9.431 7.283 -17.882 1.00 0.00 C ATOM 812 CE LYS A 44 -10.702 6.675 -18.479 1.00 0.00 C ATOM 813 NZ LYS A 44 -11.769 6.632 -17.439 1.00 0.00 N ATOM 0 H LYS A 44 -9.373 6.521 -22.021 1.00 0.00 H new ATOM 0 HA LYS A 44 -7.160 8.166 -21.032 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.865 5.922 -20.016 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.256 6.093 -19.343 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.677 8.329 -18.589 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.078 8.509 -19.627 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.901 6.536 -17.291 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.688 8.099 -17.207 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -11.035 7.266 -19.332 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -10.498 5.670 -18.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -12.633 6.219 -17.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -11.450 6.050 -16.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -11.970 7.597 -17.107 1.00 0.00 H new ATOM 827 N ASP A 45 -5.408 6.183 -21.034 1.00 0.00 N ATOM 828 CA ASP A 45 -4.317 5.321 -21.480 1.00 0.00 C ATOM 829 C ASP A 45 -3.226 5.169 -20.399 1.00 0.00 C ATOM 830 O ASP A 45 -3.303 5.732 -19.324 1.00 0.00 O ATOM 831 CB ASP A 45 -3.758 5.930 -22.786 1.00 0.00 C ATOM 832 CG ASP A 45 -2.496 6.798 -22.554 1.00 0.00 C ATOM 833 OD1 ASP A 45 -2.608 7.800 -21.866 1.00 0.00 O ATOM 834 OD2 ASP A 45 -1.450 6.438 -23.069 1.00 0.00 O ATOM 0 H ASP A 45 -5.227 6.700 -20.174 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.683 4.311 -21.663 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.517 5.126 -23.482 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -4.530 6.539 -23.257 1.00 0.00 H new ATOM 839 N GLY A 46 -2.195 4.426 -20.723 1.00 0.00 N ATOM 840 CA GLY A 46 -1.061 4.235 -19.777 1.00 0.00 C ATOM 841 C GLY A 46 -0.741 2.755 -19.588 1.00 0.00 C ATOM 842 O GLY A 46 -1.260 1.898 -20.273 1.00 0.00 O ATOM 0 H GLY A 46 -2.094 3.940 -21.614 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.180 4.755 -20.153 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.308 4.682 -18.814 1.00 0.00 H new ATOM 846 N PHE A 47 0.151 2.459 -18.671 1.00 0.00 N ATOM 847 CA PHE A 47 0.564 1.045 -18.437 1.00 0.00 C ATOM 848 C PHE A 47 -0.548 0.241 -17.751 1.00 0.00 C ATOM 849 O PHE A 47 -1.269 0.747 -16.916 1.00 0.00 O ATOM 850 CB PHE A 47 1.810 1.027 -17.548 1.00 0.00 C ATOM 851 CG PHE A 47 3.014 1.453 -18.354 1.00 0.00 C ATOM 852 CD1 PHE A 47 3.258 2.813 -18.579 1.00 0.00 C ATOM 853 CD2 PHE A 47 3.886 0.490 -18.871 1.00 0.00 C ATOM 854 CE1 PHE A 47 4.376 3.209 -19.324 1.00 0.00 C ATOM 855 CE2 PHE A 47 5.003 0.885 -19.617 1.00 0.00 C ATOM 856 CZ PHE A 47 5.249 2.245 -19.843 1.00 0.00 C ATOM 0 H PHE A 47 0.612 3.145 -18.072 1.00 0.00 H new ATOM 0 HA PHE A 47 0.772 0.587 -19.404 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.673 1.697 -16.699 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.966 0.027 -17.143 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.585 3.556 -18.178 1.00 0.00 H new ATOM 0 HD2 PHE A 47 3.698 -0.559 -18.695 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.565 4.258 -19.498 1.00 0.00 H new ATOM 0 HE2 PHE A 47 5.675 0.141 -20.018 1.00 0.00 H new ATOM 0 HZ PHE A 47 6.111 2.550 -20.417 1.00 0.00 H new ATOM 866 N ILE A 48 -0.668 -1.030 -18.087 1.00 0.00 N ATOM 867 CA ILE A 48 -1.699 -1.891 -17.451 1.00 0.00 C ATOM 868 C ILE A 48 -1.033 -3.238 -17.078 1.00 0.00 C ATOM 869 O ILE A 48 -0.297 -3.769 -17.868 1.00 0.00 O ATOM 870 CB ILE A 48 -2.844 -2.145 -18.443 1.00 0.00 C ATOM 871 CG1 ILE A 48 -2.270 -2.661 -19.774 1.00 0.00 C ATOM 872 CG2 ILE A 48 -3.605 -0.843 -18.686 1.00 0.00 C ATOM 873 CD1 ILE A 48 -3.410 -2.992 -20.747 1.00 0.00 C ATOM 0 H ILE A 48 -0.086 -1.500 -18.781 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.103 -1.405 -16.563 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.522 -2.891 -18.029 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.614 -1.909 -20.212 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -1.663 -3.549 -19.597 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.418 -1.022 -19.390 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.015 -0.480 -17.744 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.926 -0.096 -19.098 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -2.993 -3.356 -21.686 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.049 -3.760 -20.311 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.999 -2.095 -20.936 1.00 0.00 H new ATOM 885 N PRO A 49 -1.299 -3.764 -15.890 1.00 0.00 N ATOM 886 CA PRO A 49 -0.702 -5.038 -15.473 1.00 0.00 C ATOM 887 C PRO A 49 -1.301 -6.194 -16.256 1.00 0.00 C ATOM 888 O PRO A 49 -2.387 -6.618 -16.008 1.00 0.00 O ATOM 889 CB PRO A 49 -1.014 -5.142 -13.983 1.00 0.00 C ATOM 890 CG PRO A 49 -2.221 -4.194 -13.734 1.00 0.00 C ATOM 891 CD PRO A 49 -2.196 -3.164 -14.891 1.00 0.00 C ATOM 0 HA PRO A 49 0.371 -5.080 -15.662 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.259 -6.167 -13.706 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.154 -4.846 -13.382 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.159 -4.749 -13.725 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.135 -3.698 -12.767 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.193 -3.000 -15.299 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.826 -2.196 -14.554 1.00 0.00 H new ATOM 899 N LYS A 50 -0.568 -6.669 -17.215 1.00 0.00 N ATOM 900 CA LYS A 50 -1.004 -7.797 -18.092 1.00 0.00 C ATOM 901 C LYS A 50 -1.502 -9.015 -17.258 1.00 0.00 C ATOM 902 O LYS A 50 -2.210 -9.849 -17.769 1.00 0.00 O ATOM 903 CB LYS A 50 0.221 -8.176 -18.954 1.00 0.00 C ATOM 904 CG LYS A 50 0.032 -9.520 -19.674 1.00 0.00 C ATOM 905 CD LYS A 50 1.035 -10.534 -19.103 1.00 0.00 C ATOM 906 CE LYS A 50 1.420 -11.539 -20.188 1.00 0.00 C ATOM 907 NZ LYS A 50 0.215 -12.319 -20.591 1.00 0.00 N ATOM 0 H LYS A 50 0.359 -6.308 -17.441 1.00 0.00 H new ATOM 0 HA LYS A 50 -1.847 -7.497 -18.714 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.400 -7.393 -19.691 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.107 -8.227 -18.321 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.988 -9.881 -19.538 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.187 -9.399 -20.746 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.923 -10.017 -18.740 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.597 -11.053 -18.250 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.835 -11.018 -21.051 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.195 -12.211 -19.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.508 -13.150 -21.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.297 -12.631 -19.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.408 -11.721 -21.170 1.00 0.00 H new ATOM 921 N ASN A 51 -1.131 -9.129 -16.000 1.00 0.00 N ATOM 922 CA ASN A 51 -1.585 -10.272 -15.185 1.00 0.00 C ATOM 923 C ASN A 51 -3.109 -10.288 -15.094 1.00 0.00 C ATOM 924 O ASN A 51 -3.731 -11.334 -15.068 1.00 0.00 O ATOM 925 CB ASN A 51 -0.971 -10.149 -13.831 1.00 0.00 C ATOM 926 CG ASN A 51 0.376 -10.878 -13.794 1.00 0.00 C ATOM 927 OD1 ASN A 51 1.418 -10.257 -13.865 1.00 0.00 O ATOM 928 ND2 ASN A 51 0.397 -12.178 -13.684 1.00 0.00 N ATOM 0 H ASN A 51 -0.528 -8.466 -15.513 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.276 -11.211 -15.645 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -0.831 -9.097 -13.581 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.641 -10.568 -13.080 1.00 0.00 H new ATOM 0 HD21 ASN A 51 1.288 -12.673 -13.658 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -0.478 -12.699 -13.624 1.00 0.00 H new ATOM 935 N TYR A 52 -3.711 -9.137 -15.100 1.00 0.00 N ATOM 936 CA TYR A 52 -5.195 -9.042 -15.077 1.00 0.00 C ATOM 937 C TYR A 52 -5.626 -8.784 -16.492 1.00 0.00 C ATOM 938 O TYR A 52 -6.538 -8.008 -16.746 1.00 0.00 O ATOM 939 CB TYR A 52 -5.634 -7.836 -14.220 1.00 0.00 C ATOM 940 CG TYR A 52 -5.432 -8.025 -12.758 1.00 0.00 C ATOM 941 CD1 TYR A 52 -4.571 -8.992 -12.228 1.00 0.00 C ATOM 942 CD2 TYR A 52 -6.110 -7.169 -11.923 1.00 0.00 C ATOM 943 CE1 TYR A 52 -4.408 -9.080 -10.855 1.00 0.00 C ATOM 944 CE2 TYR A 52 -5.961 -7.253 -10.571 1.00 0.00 C ATOM 945 CZ TYR A 52 -5.107 -8.209 -10.014 1.00 0.00 C ATOM 946 OH TYR A 52 -4.947 -8.286 -8.648 1.00 0.00 O ATOM 0 H TYR A 52 -3.228 -8.239 -15.120 1.00 0.00 H new ATOM 0 HA TYR A 52 -5.631 -9.952 -14.665 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.080 -6.954 -14.542 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -6.689 -7.635 -14.407 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.038 -9.664 -12.884 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -6.768 -6.422 -12.343 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -3.742 -9.820 -10.435 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -6.505 -6.578 -9.927 1.00 0.00 H new ATOM 0 HH TYR A 52 -5.505 -7.607 -8.214 1.00 0.00 H new ATOM 956 N ILE A 53 -4.946 -9.382 -17.440 1.00 0.00 N ATOM 957 CA ILE A 53 -5.284 -9.124 -18.838 1.00 0.00 C ATOM 958 C ILE A 53 -4.804 -10.240 -19.767 1.00 0.00 C ATOM 959 O ILE A 53 -3.993 -11.077 -19.424 1.00 0.00 O ATOM 960 CB ILE A 53 -4.635 -7.823 -19.340 1.00 0.00 C ATOM 961 CG1 ILE A 53 -4.374 -6.821 -18.218 1.00 0.00 C ATOM 962 CG2 ILE A 53 -5.547 -7.162 -20.352 1.00 0.00 C ATOM 963 CD1 ILE A 53 -3.537 -5.674 -18.764 1.00 0.00 C ATOM 0 H ILE A 53 -4.176 -10.033 -17.288 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.372 -9.056 -18.864 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.677 -8.100 -19.781 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -5.317 -6.444 -17.823 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -3.854 -7.307 -17.392 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.088 -6.240 -20.708 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.706 -7.836 -21.193 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -6.504 -6.933 -19.884 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.345 -4.953 -17.969 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.590 -6.061 -19.139 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.076 -5.185 -19.576 1.00 0.00 H new ATOM 975 N GLU A 54 -5.268 -10.170 -20.976 1.00 0.00 N ATOM 976 CA GLU A 54 -4.869 -11.093 -22.032 1.00 0.00 C ATOM 977 C GLU A 54 -4.910 -10.285 -23.326 1.00 0.00 C ATOM 978 O GLU A 54 -5.526 -9.242 -23.370 1.00 0.00 O ATOM 979 CB GLU A 54 -5.825 -12.269 -22.110 1.00 0.00 C ATOM 980 CG GLU A 54 -5.114 -13.549 -21.656 1.00 0.00 C ATOM 981 CD GLU A 54 -5.720 -14.752 -22.379 1.00 0.00 C ATOM 982 OE1 GLU A 54 -6.933 -14.878 -22.364 1.00 0.00 O ATOM 983 OE2 GLU A 54 -4.960 -15.528 -22.936 1.00 0.00 O ATOM 0 H GLU A 54 -5.943 -9.467 -21.277 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.878 -11.506 -21.845 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.696 -12.084 -21.481 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.188 -12.387 -23.131 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.048 -13.481 -21.871 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -5.215 -13.671 -20.578 1.00 0.00 H new ATOM 990 N MET A 55 -4.260 -10.726 -24.358 1.00 0.00 N ATOM 991 CA MET A 55 -4.252 -9.907 -25.633 1.00 0.00 C ATOM 992 C MET A 55 -5.186 -10.473 -26.691 1.00 0.00 C ATOM 993 O MET A 55 -4.948 -11.523 -27.260 1.00 0.00 O ATOM 994 CB MET A 55 -2.823 -9.800 -26.219 1.00 0.00 C ATOM 995 CG MET A 55 -2.028 -11.080 -25.962 1.00 0.00 C ATOM 996 SD MET A 55 -0.771 -11.278 -27.249 1.00 0.00 S ATOM 997 CE MET A 55 -0.339 -12.997 -26.886 1.00 0.00 C ATOM 0 H MET A 55 -3.737 -11.601 -24.393 1.00 0.00 H new ATOM 0 HA MET A 55 -4.609 -8.914 -25.359 1.00 0.00 H new ATOM 0 HB2 MET A 55 -2.879 -9.612 -27.291 1.00 0.00 H new ATOM 0 HB3 MET A 55 -2.306 -8.951 -25.773 1.00 0.00 H new ATOM 0 HG2 MET A 55 -1.555 -11.036 -24.981 1.00 0.00 H new ATOM 0 HG3 MET A 55 -2.696 -11.941 -25.956 1.00 0.00 H new ATOM 0 HE1 MET A 55 0.436 -13.331 -27.576 1.00 0.00 H new ATOM 0 HE2 MET A 55 0.030 -13.071 -25.863 1.00 0.00 H new ATOM 0 HE3 MET A 55 -1.222 -13.626 -27.000 1.00 0.00 H new ATOM 1007 N LYS A 56 -6.244 -9.752 -26.976 1.00 0.00 N ATOM 1008 CA LYS A 56 -7.192 -10.169 -27.991 1.00 0.00 C ATOM 1009 C LYS A 56 -6.818 -9.561 -29.344 1.00 0.00 C ATOM 1010 O LYS A 56 -6.164 -8.518 -29.402 1.00 0.00 O ATOM 1011 CB LYS A 56 -8.564 -9.712 -27.587 1.00 0.00 C ATOM 1012 CG LYS A 56 -9.237 -10.797 -26.758 1.00 0.00 C ATOM 1013 CD LYS A 56 -10.391 -10.191 -25.952 1.00 0.00 C ATOM 1014 CE LYS A 56 -11.428 -9.591 -26.909 1.00 0.00 C ATOM 1015 NZ LYS A 56 -12.801 -9.774 -26.350 1.00 0.00 N ATOM 0 H LYS A 56 -6.474 -8.869 -26.519 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.175 -11.255 -28.084 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -8.497 -8.789 -27.011 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -9.161 -9.493 -28.472 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.611 -11.586 -27.410 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.513 -11.256 -26.085 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -10.855 -10.957 -25.330 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -10.013 -9.421 -25.280 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -11.226 -8.531 -27.060 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -11.356 -10.071 -27.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -13.348 -8.899 -26.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -13.276 -10.555 -26.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -12.736 -9.996 -25.336 1.00 0.00 H new