USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=9 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 Single : A 1 MET CE :methyl -108:sc= -1.02 (180deg=-2.75!) USER MOD Single : A 1 MET N :NH3+ -119:sc= 0.146 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 30:sc= -0.0108 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -83:sc= -0.0865 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.165 K(o=-0.17,f=-1.5!) USER MOD Single : A 37 TYR OH : rot 30:sc= -0.883 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=-0.4) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 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 69:sc= 0.202 USER MOD Single : A 55 MET CE :methyl -141:sc= -0.472 (180deg=-2.03!) USER MOD Single : A 56 LYS NZ :NH3+ -134:sc= 0 (180deg=-1.68!) USER MOD ----------------------------------------------------------------- ATOM 124 N MET A 1 -3.488 -3.191 -31.052 1.00 0.00 N ATOM 125 CA MET A 1 -4.178 -4.449 -30.654 1.00 0.00 C ATOM 126 C MET A 1 -4.974 -4.211 -29.398 1.00 0.00 C ATOM 127 O MET A 1 -5.081 -3.088 -28.924 1.00 0.00 O ATOM 128 CB MET A 1 -3.153 -5.557 -30.418 1.00 0.00 C ATOM 129 CG MET A 1 -2.921 -6.313 -31.729 1.00 0.00 C ATOM 130 SD MET A 1 -1.152 -6.642 -31.959 1.00 0.00 S ATOM 131 CE MET A 1 -1.060 -8.131 -30.938 1.00 0.00 C ATOM 0 H1 MET A 1 -3.818 -2.897 -31.993 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.702 -2.444 -30.361 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.461 -3.352 -31.080 1.00 0.00 H new ATOM 0 HA MET A 1 -4.850 -4.757 -31.455 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.216 -5.132 -30.058 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.509 -6.241 -29.648 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.474 -7.252 -31.718 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.301 -5.728 -32.567 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.528 -7.906 -30.014 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.068 -8.473 -30.702 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.529 -8.913 -31.481 1.00 0.00 H new ATOM 141 N GLU A 2 -5.548 -5.248 -28.845 1.00 0.00 N ATOM 142 CA GLU A 2 -6.342 -5.078 -27.638 1.00 0.00 C ATOM 143 C GLU A 2 -5.807 -6.014 -26.581 1.00 0.00 C ATOM 144 O GLU A 2 -4.895 -6.781 -26.817 1.00 0.00 O ATOM 145 CB GLU A 2 -7.800 -5.431 -27.955 1.00 0.00 C ATOM 146 CG GLU A 2 -8.732 -4.332 -27.441 1.00 0.00 C ATOM 147 CD GLU A 2 -10.141 -4.551 -28.000 1.00 0.00 C ATOM 148 OE1 GLU A 2 -10.575 -5.692 -28.033 1.00 0.00 O ATOM 149 OE2 GLU A 2 -10.765 -3.575 -28.383 1.00 0.00 O ATOM 0 H GLU A 2 -5.488 -6.204 -29.196 1.00 0.00 H new ATOM 0 HA GLU A 2 -6.288 -4.050 -27.280 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -7.927 -5.552 -29.031 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.060 -6.384 -27.494 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -8.756 -4.342 -26.351 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.358 -3.354 -27.742 1.00 0.00 H new ATOM 156 N ALA A 3 -6.372 -5.948 -25.434 1.00 0.00 N ATOM 157 CA ALA A 3 -5.940 -6.826 -24.319 1.00 0.00 C ATOM 158 C ALA A 3 -7.064 -6.940 -23.295 1.00 0.00 C ATOM 159 O ALA A 3 -7.470 -5.981 -22.681 1.00 0.00 O ATOM 160 CB ALA A 3 -4.703 -6.256 -23.698 1.00 0.00 C ATOM 0 H ALA A 3 -7.135 -5.311 -25.205 1.00 0.00 H new ATOM 0 HA ALA A 3 -5.715 -7.825 -24.692 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -4.380 -6.896 -22.877 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -3.913 -6.199 -24.447 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -4.914 -5.257 -23.317 1.00 0.00 H new ATOM 166 N ILE A 4 -7.577 -8.113 -23.147 1.00 0.00 N ATOM 167 CA ILE A 4 -8.711 -8.358 -22.218 1.00 0.00 C ATOM 168 C ILE A 4 -8.329 -8.189 -20.768 1.00 0.00 C ATOM 169 O ILE A 4 -7.553 -8.938 -20.223 1.00 0.00 O ATOM 170 CB ILE A 4 -9.222 -9.769 -22.439 1.00 0.00 C ATOM 171 CG1 ILE A 4 -10.324 -10.104 -21.411 1.00 0.00 C ATOM 172 CG2 ILE A 4 -8.079 -10.773 -22.313 1.00 0.00 C ATOM 173 CD1 ILE A 4 -11.457 -10.776 -22.115 1.00 0.00 C ATOM 0 H ILE A 4 -7.253 -8.943 -23.643 1.00 0.00 H new ATOM 0 HA ILE A 4 -9.481 -7.617 -22.434 1.00 0.00 H new ATOM 0 HB ILE A 4 -9.640 -9.831 -23.444 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -9.927 -10.754 -20.631 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -10.671 -9.194 -20.921 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -8.461 -11.781 -22.474 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -7.316 -10.551 -23.059 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -7.643 -10.705 -21.316 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -12.241 -11.017 -21.396 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -11.857 -10.109 -22.879 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -11.101 -11.693 -22.584 1.00 0.00 H new ATOM 185 N ALA A 5 -8.962 -7.256 -20.132 1.00 0.00 N ATOM 186 CA ALA A 5 -8.740 -7.063 -18.658 1.00 0.00 C ATOM 187 C ALA A 5 -9.415 -8.246 -17.952 1.00 0.00 C ATOM 188 O ALA A 5 -10.625 -8.372 -17.970 1.00 0.00 O ATOM 189 CB ALA A 5 -9.390 -5.766 -18.179 1.00 0.00 C ATOM 0 H ALA A 5 -9.627 -6.611 -20.558 1.00 0.00 H new ATOM 0 HA ALA A 5 -7.673 -7.010 -18.440 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -9.217 -5.646 -17.109 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -8.955 -4.922 -18.714 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -10.462 -5.804 -18.371 1.00 0.00 H new ATOM 195 N LYS A 6 -8.651 -9.130 -17.371 1.00 0.00 N ATOM 196 CA LYS A 6 -9.248 -10.325 -16.708 1.00 0.00 C ATOM 197 C LYS A 6 -10.001 -9.934 -15.429 1.00 0.00 C ATOM 198 O LYS A 6 -10.906 -10.629 -15.006 1.00 0.00 O ATOM 199 CB LYS A 6 -8.136 -11.297 -16.326 1.00 0.00 C ATOM 200 CG LYS A 6 -7.335 -11.663 -17.567 1.00 0.00 C ATOM 201 CD LYS A 6 -5.930 -12.106 -17.158 1.00 0.00 C ATOM 202 CE LYS A 6 -6.008 -13.392 -16.331 1.00 0.00 C ATOM 203 NZ LYS A 6 -4.796 -14.222 -16.590 1.00 0.00 N ATOM 0 H LYS A 6 -7.633 -9.076 -17.327 1.00 0.00 H new ATOM 0 HA LYS A 6 -9.947 -10.783 -17.408 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -7.484 -10.845 -15.579 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.561 -12.194 -15.876 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -7.835 -12.463 -18.112 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -7.276 -10.807 -18.240 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -5.319 -12.271 -18.045 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -5.446 -11.320 -16.579 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -6.078 -13.152 -15.270 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -6.907 -13.951 -16.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -4.847 -15.096 -16.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.749 -14.462 -17.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -3.945 -13.688 -16.321 1.00 0.00 H new ATOM 217 N TYR A 7 -9.617 -8.848 -14.787 1.00 0.00 N ATOM 218 CA TYR A 7 -10.301 -8.458 -13.501 1.00 0.00 C ATOM 219 C TYR A 7 -10.384 -6.951 -13.371 1.00 0.00 C ATOM 220 O TYR A 7 -10.018 -6.202 -14.256 1.00 0.00 O ATOM 221 CB TYR A 7 -9.511 -8.998 -12.287 1.00 0.00 C ATOM 222 CG TYR A 7 -8.961 -10.375 -12.571 1.00 0.00 C ATOM 223 CD1 TYR A 7 -9.823 -11.470 -12.654 1.00 0.00 C ATOM 224 CD2 TYR A 7 -7.590 -10.544 -12.755 1.00 0.00 C ATOM 225 CE1 TYR A 7 -9.308 -12.744 -12.923 1.00 0.00 C ATOM 226 CE2 TYR A 7 -7.070 -11.813 -13.025 1.00 0.00 C ATOM 227 CZ TYR A 7 -7.930 -12.915 -13.109 1.00 0.00 C ATOM 228 OH TYR A 7 -7.419 -14.169 -13.376 1.00 0.00 O ATOM 0 H TYR A 7 -8.871 -8.223 -15.091 1.00 0.00 H new ATOM 0 HA TYR A 7 -11.304 -8.884 -13.521 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -8.693 -8.318 -12.048 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -10.161 -9.035 -11.413 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -10.885 -11.335 -12.511 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -6.928 -9.693 -12.689 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -9.972 -13.593 -12.987 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -6.008 -11.943 -13.168 1.00 0.00 H new ATOM 0 HH TYR A 7 -8.088 -14.699 -13.858 1.00 0.00 H new ATOM 238 N ASP A 8 -10.873 -6.518 -12.249 1.00 0.00 N ATOM 239 CA ASP A 8 -11.014 -5.073 -11.980 1.00 0.00 C ATOM 240 C ASP A 8 -9.654 -4.493 -11.581 1.00 0.00 C ATOM 241 O ASP A 8 -8.729 -5.212 -11.277 1.00 0.00 O ATOM 242 CB ASP A 8 -12.000 -4.909 -10.832 1.00 0.00 C ATOM 243 CG ASP A 8 -13.300 -4.281 -11.333 1.00 0.00 C ATOM 244 OD1 ASP A 8 -13.333 -3.074 -11.471 1.00 0.00 O ATOM 245 OD2 ASP A 8 -14.242 -5.021 -11.563 1.00 0.00 O ATOM 0 H ASP A 8 -11.188 -7.123 -11.491 1.00 0.00 H new ATOM 0 HA ASP A 8 -11.372 -4.549 -12.866 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -12.207 -5.879 -10.381 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -11.562 -4.283 -10.055 1.00 0.00 H new ATOM 250 N PHE A 9 -9.548 -3.191 -11.561 1.00 0.00 N ATOM 251 CA PHE A 9 -8.269 -2.525 -11.174 1.00 0.00 C ATOM 252 C PHE A 9 -8.395 -1.011 -11.370 1.00 0.00 C ATOM 253 O PHE A 9 -9.402 -0.513 -11.841 1.00 0.00 O ATOM 254 CB PHE A 9 -7.101 -3.042 -12.044 1.00 0.00 C ATOM 255 CG PHE A 9 -5.857 -3.185 -11.194 1.00 0.00 C ATOM 256 CD1 PHE A 9 -5.927 -3.836 -9.957 1.00 0.00 C ATOM 257 CD2 PHE A 9 -4.641 -2.662 -11.640 1.00 0.00 C ATOM 258 CE1 PHE A 9 -4.781 -3.964 -9.165 1.00 0.00 C ATOM 259 CE2 PHE A 9 -3.491 -2.789 -10.850 1.00 0.00 C ATOM 260 CZ PHE A 9 -3.562 -3.440 -9.612 1.00 0.00 C ATOM 0 H PHE A 9 -10.305 -2.551 -11.800 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.067 -2.754 -10.128 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.363 -4.003 -12.488 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.914 -2.352 -12.866 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -6.868 -4.240 -9.613 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -4.587 -2.159 -12.594 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.836 -4.466 -8.210 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.551 -2.385 -11.195 1.00 0.00 H new ATOM 0 HZ PHE A 9 -2.676 -3.538 -9.002 1.00 0.00 H new ATOM 270 N LYS A 10 -7.367 -0.284 -11.015 1.00 0.00 N ATOM 271 CA LYS A 10 -7.396 1.202 -11.174 1.00 0.00 C ATOM 272 C LYS A 10 -6.008 1.712 -11.456 1.00 0.00 C ATOM 273 O LYS A 10 -5.020 1.056 -11.175 1.00 0.00 O ATOM 274 CB LYS A 10 -7.928 1.846 -9.886 1.00 0.00 C ATOM 275 CG LYS A 10 -9.379 2.307 -10.090 1.00 0.00 C ATOM 276 CD LYS A 10 -10.329 1.373 -9.334 1.00 0.00 C ATOM 277 CE LYS A 10 -10.139 1.563 -7.827 1.00 0.00 C ATOM 278 NZ LYS A 10 -10.896 0.507 -7.097 1.00 0.00 N ATOM 0 H LYS A 10 -6.504 -0.657 -10.620 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.050 1.461 -12.007 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.877 1.132 -9.064 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -7.303 2.695 -9.609 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.499 3.330 -9.733 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -9.624 2.309 -11.152 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -11.362 1.585 -9.611 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -10.132 0.337 -9.608 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -9.080 1.509 -7.573 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -10.489 2.551 -7.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -10.769 0.634 -6.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -11.907 0.579 -7.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -10.542 -0.430 -7.376 1.00 0.00 H new ATOM 292 N ALA A 11 -5.926 2.890 -12.007 1.00 0.00 N ATOM 293 CA ALA A 11 -4.610 3.464 -12.310 1.00 0.00 C ATOM 294 C ALA A 11 -3.956 3.877 -10.992 1.00 0.00 C ATOM 295 O ALA A 11 -4.576 4.524 -10.166 1.00 0.00 O ATOM 296 CB ALA A 11 -4.760 4.679 -13.211 1.00 0.00 C ATOM 0 H ALA A 11 -6.724 3.474 -12.257 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.994 2.728 -12.827 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.776 5.095 -13.428 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.242 4.384 -14.143 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.369 5.431 -12.709 1.00 0.00 H new ATOM 302 N THR A 12 -2.724 3.505 -10.778 1.00 0.00 N ATOM 303 CA THR A 12 -2.044 3.870 -9.496 1.00 0.00 C ATOM 304 C THR A 12 -1.006 4.963 -9.753 1.00 0.00 C ATOM 305 O THR A 12 -1.073 6.038 -9.182 1.00 0.00 O ATOM 306 CB THR A 12 -1.362 2.631 -8.913 1.00 0.00 C ATOM 307 OG1 THR A 12 -0.738 1.899 -9.960 1.00 0.00 O ATOM 308 CG2 THR A 12 -2.409 1.751 -8.223 1.00 0.00 C ATOM 0 H THR A 12 -2.157 2.965 -11.432 1.00 0.00 H new ATOM 0 HA THR A 12 -2.783 4.244 -8.787 1.00 0.00 H new ATOM 0 HB THR A 12 -0.609 2.936 -8.186 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.401 1.327 -10.400 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.925 0.868 -7.807 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.887 2.314 -7.421 1.00 0.00 H new ATOM 0 HG23 THR A 12 -3.162 1.444 -8.949 1.00 0.00 H new ATOM 316 N ALA A 13 -0.050 4.702 -10.607 1.00 0.00 N ATOM 317 CA ALA A 13 0.992 5.728 -10.907 1.00 0.00 C ATOM 318 C ALA A 13 0.352 6.917 -11.576 1.00 0.00 C ATOM 319 O ALA A 13 -0.837 6.943 -11.839 1.00 0.00 O ATOM 320 CB ALA A 13 2.051 5.140 -11.839 1.00 0.00 C ATOM 0 H ALA A 13 0.054 3.821 -11.110 1.00 0.00 H new ATOM 0 HA ALA A 13 1.462 6.038 -9.974 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.807 5.895 -12.053 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.521 4.281 -11.360 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.581 4.824 -12.770 1.00 0.00 H new ATOM 326 N ASP A 14 1.143 7.901 -11.848 1.00 0.00 N ATOM 327 CA ASP A 14 0.638 9.121 -12.500 1.00 0.00 C ATOM 328 C ASP A 14 0.432 8.879 -14.006 1.00 0.00 C ATOM 329 O ASP A 14 -0.033 9.751 -14.719 1.00 0.00 O ATOM 330 CB ASP A 14 1.662 10.203 -12.274 1.00 0.00 C ATOM 331 CG ASP A 14 0.985 11.574 -12.304 1.00 0.00 C ATOM 332 OD1 ASP A 14 0.882 12.139 -13.381 1.00 0.00 O ATOM 333 OD2 ASP A 14 0.582 12.038 -11.249 1.00 0.00 O ATOM 0 H ASP A 14 2.142 7.910 -11.640 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.326 9.411 -12.082 1.00 0.00 H new ATOM 0 HB2 ASP A 14 2.157 10.053 -11.314 1.00 0.00 H new ATOM 0 HB3 ASP A 14 2.434 10.152 -13.042 1.00 0.00 H new ATOM 338 N ASP A 15 0.763 7.697 -14.494 1.00 0.00 N ATOM 339 CA ASP A 15 0.580 7.395 -15.911 1.00 0.00 C ATOM 340 C ASP A 15 0.022 5.977 -16.054 1.00 0.00 C ATOM 341 O ASP A 15 0.264 5.303 -17.038 1.00 0.00 O ATOM 342 CB ASP A 15 1.923 7.495 -16.633 1.00 0.00 C ATOM 343 CG ASP A 15 2.187 8.951 -17.019 1.00 0.00 C ATOM 344 OD1 ASP A 15 1.293 9.567 -17.576 1.00 0.00 O ATOM 345 OD2 ASP A 15 3.278 9.426 -16.752 1.00 0.00 O ATOM 0 H ASP A 15 1.156 6.935 -13.941 1.00 0.00 H new ATOM 0 HA ASP A 15 -0.117 8.108 -16.352 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.722 7.128 -15.989 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.917 6.867 -17.524 1.00 0.00 H new ATOM 350 N GLU A 16 -0.725 5.518 -15.071 1.00 0.00 N ATOM 351 CA GLU A 16 -1.298 4.146 -15.143 1.00 0.00 C ATOM 352 C GLU A 16 -2.719 4.223 -15.714 1.00 0.00 C ATOM 353 O GLU A 16 -3.249 5.299 -15.928 1.00 0.00 O ATOM 354 CB GLU A 16 -1.324 3.540 -13.737 1.00 0.00 C ATOM 355 CG GLU A 16 -1.465 2.025 -13.836 1.00 0.00 C ATOM 356 CD GLU A 16 -0.769 1.364 -12.647 1.00 0.00 C ATOM 357 OE1 GLU A 16 0.399 1.647 -12.437 1.00 0.00 O ATOM 358 OE2 GLU A 16 -1.415 0.585 -11.966 1.00 0.00 O ATOM 0 H GLU A 16 -0.958 6.040 -14.226 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.688 3.517 -15.792 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.409 3.796 -13.203 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.154 3.956 -13.166 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.519 1.749 -13.852 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.028 1.670 -14.769 1.00 0.00 H new ATOM 365 N LEU A 17 -3.328 3.093 -15.987 1.00 0.00 N ATOM 366 CA LEU A 17 -4.703 3.103 -16.575 1.00 0.00 C ATOM 367 C LEU A 17 -5.672 2.279 -15.722 1.00 0.00 C ATOM 368 O LEU A 17 -5.407 1.141 -15.381 1.00 0.00 O ATOM 369 CB LEU A 17 -4.636 2.501 -17.984 1.00 0.00 C ATOM 370 CG LEU A 17 -5.676 3.149 -18.897 1.00 0.00 C ATOM 371 CD1 LEU A 17 -5.482 2.635 -20.328 1.00 0.00 C ATOM 372 CD2 LEU A 17 -7.078 2.784 -18.421 1.00 0.00 C ATOM 0 H LEU A 17 -2.932 2.167 -15.828 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.065 4.130 -16.609 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.639 2.646 -18.400 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.808 1.426 -17.934 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.554 4.232 -18.871 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.222 3.095 -20.983 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.481 2.892 -20.674 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.605 1.552 -20.345 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.817 3.248 -19.075 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -7.200 1.701 -18.446 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.221 3.141 -17.401 1.00 0.00 H new ATOM 384 N SER A 18 -6.805 2.856 -15.386 1.00 0.00 N ATOM 385 CA SER A 18 -7.805 2.159 -14.583 1.00 0.00 C ATOM 386 C SER A 18 -8.704 1.309 -15.490 1.00 0.00 C ATOM 387 O SER A 18 -8.780 1.531 -16.683 1.00 0.00 O ATOM 388 CB SER A 18 -8.630 3.218 -13.884 1.00 0.00 C ATOM 389 OG SER A 18 -9.644 3.714 -14.759 1.00 0.00 O ATOM 0 H SER A 18 -7.064 3.806 -15.653 1.00 0.00 H new ATOM 0 HA SER A 18 -7.330 1.496 -13.860 1.00 0.00 H new ATOM 0 HB2 SER A 18 -9.087 2.800 -12.987 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.986 4.036 -13.562 1.00 0.00 H new ATOM 0 HG SER A 18 -10.172 4.397 -14.295 1.00 0.00 H new ATOM 395 N PHE A 19 -9.402 0.356 -14.930 1.00 0.00 N ATOM 396 CA PHE A 19 -10.316 -0.493 -15.758 1.00 0.00 C ATOM 397 C PHE A 19 -11.059 -1.484 -14.858 1.00 0.00 C ATOM 398 O PHE A 19 -10.747 -1.628 -13.693 1.00 0.00 O ATOM 399 CB PHE A 19 -9.507 -1.251 -16.819 1.00 0.00 C ATOM 400 CG PHE A 19 -8.437 -2.080 -16.154 1.00 0.00 C ATOM 401 CD1 PHE A 19 -8.773 -3.295 -15.551 1.00 0.00 C ATOM 402 CD2 PHE A 19 -7.110 -1.635 -16.147 1.00 0.00 C ATOM 403 CE1 PHE A 19 -7.780 -4.068 -14.938 1.00 0.00 C ATOM 404 CE2 PHE A 19 -6.117 -2.406 -15.535 1.00 0.00 C ATOM 405 CZ PHE A 19 -6.452 -3.624 -14.929 1.00 0.00 C ATOM 0 H PHE A 19 -9.380 0.127 -13.936 1.00 0.00 H new ATOM 0 HA PHE A 19 -11.043 0.147 -16.259 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -10.167 -1.893 -17.402 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -9.053 -0.546 -17.515 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.797 -3.637 -15.558 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -6.853 -0.696 -16.614 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -8.038 -5.007 -14.472 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.093 -2.063 -15.529 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.686 -4.220 -14.455 1.00 0.00 H new ATOM 415 N LYS A 20 -12.051 -2.152 -15.391 1.00 0.00 N ATOM 416 CA LYS A 20 -12.836 -3.121 -14.578 1.00 0.00 C ATOM 417 C LYS A 20 -12.652 -4.529 -15.124 1.00 0.00 C ATOM 418 O LYS A 20 -11.930 -4.757 -16.077 1.00 0.00 O ATOM 419 CB LYS A 20 -14.317 -2.756 -14.654 1.00 0.00 C ATOM 420 CG LYS A 20 -14.514 -1.299 -14.247 1.00 0.00 C ATOM 421 CD LYS A 20 -14.854 -1.217 -12.755 1.00 0.00 C ATOM 422 CE LYS A 20 -15.873 -0.102 -12.521 1.00 0.00 C ATOM 423 NZ LYS A 20 -16.452 -0.236 -11.155 1.00 0.00 N ATOM 0 H LYS A 20 -12.350 -2.065 -16.362 1.00 0.00 H new ATOM 0 HA LYS A 20 -12.488 -3.083 -13.546 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -14.688 -2.913 -15.667 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.895 -3.407 -13.998 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.609 -0.728 -14.455 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -15.315 -0.852 -14.837 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -15.257 -2.170 -12.411 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -13.951 -1.025 -12.176 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -15.395 0.871 -12.631 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -16.664 -0.155 -13.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -17.145 0.523 -10.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -16.923 -1.159 -11.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -15.693 -0.165 -10.448 1.00 0.00 H new ATOM 437 N ARG A 21 -13.312 -5.472 -14.519 1.00 0.00 N ATOM 438 CA ARG A 21 -13.216 -6.883 -14.962 1.00 0.00 C ATOM 439 C ARG A 21 -13.959 -7.062 -16.286 1.00 0.00 C ATOM 440 O ARG A 21 -15.173 -7.144 -16.325 1.00 0.00 O ATOM 441 CB ARG A 21 -13.852 -7.745 -13.894 1.00 0.00 C ATOM 442 CG ARG A 21 -13.646 -9.220 -14.212 1.00 0.00 C ATOM 443 CD ARG A 21 -13.555 -9.994 -12.898 1.00 0.00 C ATOM 444 NE ARG A 21 -14.321 -11.267 -13.012 1.00 0.00 N ATOM 445 CZ ARG A 21 -15.624 -11.250 -12.967 1.00 0.00 C ATOM 446 NH1 ARG A 21 -16.237 -11.083 -11.826 1.00 0.00 N ATOM 447 NH2 ARG A 21 -16.317 -11.400 -14.063 1.00 0.00 N ATOM 0 H ARG A 21 -13.926 -5.319 -13.719 1.00 0.00 H new ATOM 0 HA ARG A 21 -12.174 -7.167 -15.111 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -13.417 -7.512 -12.922 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -14.918 -7.526 -13.827 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -14.472 -9.596 -14.816 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -12.736 -9.358 -14.796 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -12.512 -10.206 -12.661 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -13.952 -9.391 -12.081 1.00 0.00 H new ATOM 0 HE ARG A 21 -13.826 -12.152 -13.125 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -15.696 -10.966 -10.969 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -17.256 -11.070 -11.792 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -15.839 -11.531 -14.955 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -17.336 -11.387 -14.028 1.00 0.00 H new ATOM 461 N GLY A 22 -13.234 -7.113 -17.371 1.00 0.00 N ATOM 462 CA GLY A 22 -13.878 -7.277 -18.707 1.00 0.00 C ATOM 463 C GLY A 22 -13.657 -6.013 -19.556 1.00 0.00 C ATOM 464 O GLY A 22 -14.176 -5.901 -20.653 1.00 0.00 O ATOM 0 H GLY A 22 -12.216 -7.048 -17.390 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -13.461 -8.145 -19.217 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -14.945 -7.461 -18.585 1.00 0.00 H new ATOM 468 N ASP A 23 -12.890 -5.060 -19.061 1.00 0.00 N ATOM 469 CA ASP A 23 -12.639 -3.846 -19.799 1.00 0.00 C ATOM 470 C ASP A 23 -11.427 -4.060 -20.689 1.00 0.00 C ATOM 471 O ASP A 23 -10.305 -3.817 -20.282 1.00 0.00 O ATOM 472 CB ASP A 23 -12.346 -2.739 -18.805 1.00 0.00 C ATOM 473 CG ASP A 23 -13.601 -1.895 -18.578 1.00 0.00 C ATOM 474 OD1 ASP A 23 -14.503 -2.378 -17.914 1.00 0.00 O ATOM 475 OD2 ASP A 23 -13.639 -0.781 -19.073 1.00 0.00 O ATOM 0 H ASP A 23 -12.432 -5.107 -18.151 1.00 0.00 H new ATOM 0 HA ASP A 23 -13.500 -3.580 -20.412 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.009 -3.167 -17.861 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.537 -2.110 -19.176 1.00 0.00 H new ATOM 480 N ILE A 24 -11.634 -4.516 -21.887 1.00 0.00 N ATOM 481 CA ILE A 24 -10.478 -4.749 -22.792 1.00 0.00 C ATOM 482 C ILE A 24 -9.919 -3.401 -23.229 1.00 0.00 C ATOM 483 O ILE A 24 -10.632 -2.535 -23.697 1.00 0.00 O ATOM 484 CB ILE A 24 -10.885 -5.590 -24.005 1.00 0.00 C ATOM 485 CG1 ILE A 24 -11.826 -6.741 -23.534 1.00 0.00 C ATOM 486 CG2 ILE A 24 -9.603 -6.156 -24.639 1.00 0.00 C ATOM 487 CD1 ILE A 24 -11.942 -7.834 -24.600 1.00 0.00 C ATOM 0 H ILE A 24 -12.549 -4.737 -22.280 1.00 0.00 H new ATOM 0 HA ILE A 24 -9.710 -5.308 -22.258 1.00 0.00 H new ATOM 0 HB ILE A 24 -11.420 -4.989 -24.741 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -11.443 -7.171 -22.609 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -12.815 -6.338 -23.313 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -9.863 -6.761 -25.508 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.957 -5.335 -24.949 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -9.079 -6.774 -23.910 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -12.604 -8.622 -24.242 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -12.348 -7.407 -25.517 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -10.956 -8.252 -24.801 1.00 0.00 H new ATOM 499 N LEU A 25 -8.650 -3.216 -23.025 1.00 0.00 N ATOM 500 CA LEU A 25 -7.996 -1.922 -23.355 1.00 0.00 C ATOM 501 C LEU A 25 -7.391 -1.952 -24.760 1.00 0.00 C ATOM 502 O LEU A 25 -7.312 -2.992 -25.397 1.00 0.00 O ATOM 503 CB LEU A 25 -6.890 -1.681 -22.331 1.00 0.00 C ATOM 504 CG LEU A 25 -7.481 -1.756 -20.915 1.00 0.00 C ATOM 505 CD1 LEU A 25 -7.291 -3.169 -20.337 1.00 0.00 C ATOM 506 CD2 LEU A 25 -6.773 -0.741 -20.020 1.00 0.00 C ATOM 0 H LEU A 25 -8.024 -3.921 -22.635 1.00 0.00 H new ATOM 0 HA LEU A 25 -8.738 -1.124 -23.327 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.102 -2.425 -22.448 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.433 -0.705 -22.495 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.547 -1.531 -20.959 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.713 -3.211 -19.333 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.797 -3.894 -20.974 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.228 -3.404 -20.293 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.189 -0.791 -19.014 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.708 -0.969 -19.984 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.916 0.262 -20.423 1.00 0.00 H new ATOM 518 N LYS A 26 -6.945 -0.806 -25.238 1.00 0.00 N ATOM 519 CA LYS A 26 -6.321 -0.743 -26.611 1.00 0.00 C ATOM 520 C LYS A 26 -4.812 -0.579 -26.445 1.00 0.00 C ATOM 521 O LYS A 26 -4.337 0.492 -26.146 1.00 0.00 O ATOM 522 CB LYS A 26 -6.895 0.458 -27.380 1.00 0.00 C ATOM 523 CG LYS A 26 -6.588 0.316 -28.883 1.00 0.00 C ATOM 524 CD LYS A 26 -7.881 0.480 -29.700 1.00 0.00 C ATOM 525 CE LYS A 26 -7.609 1.338 -30.939 1.00 0.00 C ATOM 526 NZ LYS A 26 -7.985 2.752 -30.658 1.00 0.00 N ATOM 0 H LYS A 26 -6.985 0.084 -24.741 1.00 0.00 H new ATOM 0 HA LYS A 26 -6.538 -1.654 -27.168 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -7.972 0.519 -27.224 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.465 1.384 -26.998 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -5.858 1.067 -29.186 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -6.143 -0.659 -29.082 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -8.259 -0.498 -30.000 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -8.653 0.946 -29.087 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.555 1.278 -31.211 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.180 0.961 -31.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.800 3.334 -31.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -8.996 2.801 -30.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.422 3.109 -29.860 1.00 0.00 H new ATOM 540 N VAL A 27 -4.056 -1.640 -26.605 1.00 0.00 N ATOM 541 CA VAL A 27 -2.575 -1.543 -26.397 1.00 0.00 C ATOM 542 C VAL A 27 -1.908 -0.628 -27.426 1.00 0.00 C ATOM 543 O VAL A 27 -1.717 -0.990 -28.571 1.00 0.00 O ATOM 544 CB VAL A 27 -1.943 -2.936 -26.470 1.00 0.00 C ATOM 545 CG1 VAL A 27 -0.482 -2.850 -26.018 1.00 0.00 C ATOM 546 CG2 VAL A 27 -2.700 -3.892 -25.539 1.00 0.00 C ATOM 0 H VAL A 27 -4.398 -2.564 -26.869 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.415 -1.110 -25.409 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.994 -3.306 -27.494 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.027 -3.839 -26.068 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.061 -2.167 -26.671 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.439 -2.482 -24.993 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.250 -4.883 -25.591 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.645 -3.522 -24.515 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.744 -3.951 -25.848 1.00 0.00 H new ATOM 556 N LEU A 28 -1.514 0.549 -26.997 1.00 0.00 N ATOM 557 CA LEU A 28 -0.811 1.495 -27.909 1.00 0.00 C ATOM 558 C LEU A 28 0.662 1.091 -27.936 1.00 0.00 C ATOM 559 O LEU A 28 1.329 1.203 -28.947 1.00 0.00 O ATOM 560 CB LEU A 28 -0.900 2.962 -27.404 1.00 0.00 C ATOM 561 CG LEU A 28 -2.222 3.238 -26.647 1.00 0.00 C ATOM 562 CD1 LEU A 28 -1.908 3.657 -25.204 1.00 0.00 C ATOM 563 CD2 LEU A 28 -2.987 4.372 -27.342 1.00 0.00 C ATOM 0 H LEU A 28 -1.653 0.893 -26.047 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.277 1.447 -28.893 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.056 3.170 -26.747 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.819 3.642 -28.252 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.830 2.333 -26.645 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.839 3.851 -24.671 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.363 2.857 -24.703 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.299 4.561 -25.212 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.917 4.564 -26.807 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.376 5.275 -27.344 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.212 4.083 -28.369 1.00 0.00 H new ATOM 575 N ASN A 29 1.176 0.607 -26.815 1.00 0.00 N ATOM 576 CA ASN A 29 2.613 0.183 -26.776 1.00 0.00 C ATOM 577 C ASN A 29 2.700 -1.287 -26.365 1.00 0.00 C ATOM 578 O ASN A 29 2.367 -1.658 -25.245 1.00 0.00 O ATOM 579 CB ASN A 29 3.405 1.036 -25.784 1.00 0.00 C ATOM 580 CG ASN A 29 4.893 0.963 -26.127 1.00 0.00 C ATOM 581 OD1 ASN A 29 5.261 0.915 -27.285 1.00 0.00 O ATOM 582 ND2 ASN A 29 5.772 0.951 -25.163 1.00 0.00 N ATOM 0 H ASN A 29 0.664 0.491 -25.941 1.00 0.00 H new ATOM 0 HA ASN A 29 3.041 0.318 -27.769 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.062 2.070 -25.822 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.237 0.681 -24.767 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.767 0.901 -25.381 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.464 0.991 -24.191 1.00 0.00 H new ATOM 673 N TRP A 36 3.280 -5.535 -17.839 1.00 0.00 N ATOM 674 CA TRP A 36 2.329 -4.374 -18.043 1.00 0.00 C ATOM 675 C TRP A 36 2.220 -4.102 -19.554 1.00 0.00 C ATOM 676 O TRP A 36 2.901 -4.708 -20.358 1.00 0.00 O ATOM 677 CB TRP A 36 2.794 -3.074 -17.356 1.00 0.00 C ATOM 678 CG TRP A 36 3.106 -3.289 -15.906 1.00 0.00 C ATOM 679 CD1 TRP A 36 4.197 -3.923 -15.449 1.00 0.00 C ATOM 680 CD2 TRP A 36 2.372 -2.837 -14.718 1.00 0.00 C ATOM 681 NE1 TRP A 36 4.171 -3.926 -14.067 1.00 0.00 N ATOM 682 CE2 TRP A 36 3.082 -3.263 -13.571 1.00 0.00 C ATOM 683 CE3 TRP A 36 1.174 -2.116 -14.515 1.00 0.00 C ATOM 684 CZ2 TRP A 36 2.638 -2.988 -12.280 1.00 0.00 C ATOM 685 CZ3 TRP A 36 0.733 -1.837 -13.201 1.00 0.00 C ATOM 686 CH2 TRP A 36 1.466 -2.271 -12.096 1.00 0.00 C ATOM 0 HA TRP A 36 1.375 -4.655 -17.597 1.00 0.00 H new ATOM 0 HB2 TRP A 36 3.679 -2.691 -17.865 1.00 0.00 H new ATOM 0 HB3 TRP A 36 2.018 -2.315 -17.452 1.00 0.00 H new ATOM 0 HD1 TRP A 36 4.971 -4.360 -16.062 1.00 0.00 H new ATOM 0 HE1 TRP A 36 4.881 -4.371 -13.485 1.00 0.00 H new ATOM 0 HE3 TRP A 36 0.596 -1.778 -15.362 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 3.204 -3.332 -11.427 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.181 -1.282 -13.051 1.00 0.00 H new ATOM 0 HH2 TRP A 36 1.120 -2.048 -11.097 1.00 0.00 H new ATOM 697 N TYR A 37 1.380 -3.180 -19.929 1.00 0.00 N ATOM 698 CA TYR A 37 1.207 -2.819 -21.375 1.00 0.00 C ATOM 699 C TYR A 37 0.718 -1.383 -21.443 1.00 0.00 C ATOM 700 O TYR A 37 -0.086 -0.978 -20.627 1.00 0.00 O ATOM 701 CB TYR A 37 0.099 -3.658 -22.037 1.00 0.00 C ATOM 702 CG TYR A 37 0.489 -5.100 -22.220 1.00 0.00 C ATOM 703 CD1 TYR A 37 1.741 -5.445 -22.734 1.00 0.00 C ATOM 704 CD2 TYR A 37 -0.446 -6.096 -21.915 1.00 0.00 C ATOM 705 CE1 TYR A 37 2.060 -6.795 -22.943 1.00 0.00 C ATOM 706 CE2 TYR A 37 -0.132 -7.439 -22.112 1.00 0.00 C ATOM 707 CZ TYR A 37 1.123 -7.793 -22.631 1.00 0.00 C ATOM 708 OH TYR A 37 1.433 -9.121 -22.844 1.00 0.00 O ATOM 0 H TYR A 37 0.792 -2.648 -19.287 1.00 0.00 H new ATOM 0 HA TYR A 37 2.160 -2.984 -21.878 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -0.803 -3.605 -21.428 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.146 -3.227 -23.008 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.461 -4.675 -22.970 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -1.415 -5.822 -21.525 1.00 0.00 H new ATOM 0 HE1 TYR A 37 3.026 -7.066 -23.344 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.852 -8.205 -21.866 1.00 0.00 H new ATOM 0 HH TYR A 37 2.399 -9.251 -22.744 1.00 0.00 H new ATOM 718 N LYS A 38 1.118 -0.623 -22.434 1.00 0.00 N ATOM 719 CA LYS A 38 0.565 0.756 -22.544 1.00 0.00 C ATOM 720 C LYS A 38 -0.712 0.622 -23.339 1.00 0.00 C ATOM 721 O LYS A 38 -0.761 -0.133 -24.291 1.00 0.00 O ATOM 722 CB LYS A 38 1.514 1.681 -23.277 1.00 0.00 C ATOM 723 CG LYS A 38 1.042 3.115 -23.071 1.00 0.00 C ATOM 724 CD LYS A 38 1.514 3.989 -24.241 1.00 0.00 C ATOM 725 CE LYS A 38 2.659 4.901 -23.779 1.00 0.00 C ATOM 726 NZ LYS A 38 3.945 4.411 -24.351 1.00 0.00 N ATOM 0 H LYS A 38 1.788 -0.892 -23.154 1.00 0.00 H new ATOM 0 HA LYS A 38 0.404 1.183 -21.554 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.530 1.558 -22.901 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.536 1.438 -24.339 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.045 3.143 -22.999 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.434 3.505 -22.132 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.848 3.359 -25.066 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.686 4.591 -24.615 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.473 5.926 -24.099 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.713 4.912 -22.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.721 5.028 -24.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.122 3.440 -24.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.890 4.423 -25.389 1.00 0.00 H new ATOM 740 N ALA A 39 -1.753 1.302 -22.954 1.00 0.00 N ATOM 741 CA ALA A 39 -3.034 1.157 -23.702 1.00 0.00 C ATOM 742 C ALA A 39 -3.984 2.241 -23.369 1.00 0.00 C ATOM 743 O ALA A 39 -3.644 3.206 -22.709 1.00 0.00 O ATOM 744 CB ALA A 39 -3.648 -0.191 -23.366 1.00 0.00 C ATOM 0 H ALA A 39 -1.775 1.946 -22.163 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.824 1.222 -24.770 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.586 -0.309 -23.908 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.960 -0.986 -23.654 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.838 -0.247 -22.294 1.00 0.00 H new ATOM 750 N GLU A 40 -5.175 2.122 -23.881 1.00 0.00 N ATOM 751 CA GLU A 40 -6.154 3.164 -23.656 1.00 0.00 C ATOM 752 C GLU A 40 -7.576 2.629 -23.756 1.00 0.00 C ATOM 753 O GLU A 40 -7.955 1.937 -24.677 1.00 0.00 O ATOM 754 CB GLU A 40 -5.857 4.292 -24.647 1.00 0.00 C ATOM 755 CG GLU A 40 -7.020 4.583 -25.609 1.00 0.00 C ATOM 756 CD GLU A 40 -6.541 5.498 -26.738 1.00 0.00 C ATOM 757 OE1 GLU A 40 -6.341 6.673 -26.477 1.00 0.00 O ATOM 758 OE2 GLU A 40 -6.384 5.008 -27.844 1.00 0.00 O ATOM 0 H GLU A 40 -5.494 1.335 -24.446 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.080 3.555 -22.641 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.619 5.199 -24.092 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.972 4.032 -25.227 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.404 3.651 -26.022 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.841 5.055 -25.069 1.00 0.00 H new ATOM 765 N LEU A 41 -8.340 2.992 -22.806 1.00 0.00 N ATOM 766 CA LEU A 41 -9.773 2.564 -22.757 1.00 0.00 C ATOM 767 C LEU A 41 -10.693 3.637 -23.224 1.00 0.00 C ATOM 768 O LEU A 41 -11.136 4.490 -22.485 1.00 0.00 O ATOM 769 CB LEU A 41 -10.166 2.127 -21.359 1.00 0.00 C ATOM 770 CG LEU A 41 -9.905 0.651 -21.244 1.00 0.00 C ATOM 771 CD1 LEU A 41 -9.774 0.266 -19.770 1.00 0.00 C ATOM 772 CD2 LEU A 41 -11.073 -0.096 -21.879 1.00 0.00 C ATOM 0 H LEU A 41 -8.046 3.584 -22.029 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.868 1.716 -23.436 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.591 2.675 -20.613 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -11.218 2.344 -21.173 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.978 0.390 -21.755 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -9.585 -0.804 -19.689 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -8.946 0.816 -19.323 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -10.698 0.512 -19.246 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.901 -1.170 -21.805 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -11.995 0.161 -21.358 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -11.158 0.186 -22.928 1.00 0.00 H new ATOM 784 N ASN A 42 -11.029 3.539 -24.455 1.00 0.00 N ATOM 785 CA ASN A 42 -11.989 4.483 -25.092 1.00 0.00 C ATOM 786 C ASN A 42 -11.775 5.963 -24.682 1.00 0.00 C ATOM 787 O ASN A 42 -12.700 6.756 -24.736 1.00 0.00 O ATOM 788 CB ASN A 42 -13.381 4.076 -24.672 1.00 0.00 C ATOM 789 CG ASN A 42 -13.958 3.073 -25.672 1.00 0.00 C ATOM 790 OD1 ASN A 42 -13.270 2.178 -26.120 1.00 0.00 O ATOM 791 ND2 ASN A 42 -15.205 3.185 -26.044 1.00 0.00 N ATOM 0 H ASN A 42 -10.671 2.820 -25.083 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.834 4.426 -26.169 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -13.354 3.634 -23.676 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -14.024 4.955 -24.614 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -15.600 2.521 -26.710 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -15.784 3.936 -25.668 1.00 0.00 H new ATOM 798 N GLY A 43 -10.600 6.334 -24.278 1.00 0.00 N ATOM 799 CA GLY A 43 -10.366 7.759 -23.868 1.00 0.00 C ATOM 800 C GLY A 43 -9.257 7.821 -22.828 1.00 0.00 C ATOM 801 O GLY A 43 -8.408 8.697 -22.868 1.00 0.00 O ATOM 0 H GLY A 43 -9.787 5.722 -24.210 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.095 8.357 -24.738 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.283 8.185 -23.461 1.00 0.00 H new ATOM 805 N LYS A 44 -9.233 6.882 -21.910 1.00 0.00 N ATOM 806 CA LYS A 44 -8.185 6.860 -20.910 1.00 0.00 C ATOM 807 C LYS A 44 -7.007 6.193 -21.515 1.00 0.00 C ATOM 808 O LYS A 44 -7.103 5.568 -22.550 1.00 0.00 O ATOM 809 CB LYS A 44 -8.628 6.099 -19.670 1.00 0.00 C ATOM 810 CG LYS A 44 -9.283 7.072 -18.693 1.00 0.00 C ATOM 811 CD LYS A 44 -10.544 7.692 -19.318 1.00 0.00 C ATOM 812 CE LYS A 44 -11.572 6.594 -19.608 1.00 0.00 C ATOM 813 NZ LYS A 44 -12.830 7.215 -20.112 1.00 0.00 N ATOM 0 H LYS A 44 -9.918 6.130 -21.833 1.00 0.00 H new ATOM 0 HA LYS A 44 -7.945 7.878 -20.602 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.330 5.311 -19.943 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.772 5.614 -19.201 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -9.544 6.551 -17.772 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -8.578 7.859 -18.425 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.970 8.433 -18.641 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.286 8.214 -20.239 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -11.177 5.896 -20.346 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -11.773 6.021 -18.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.529 6.471 -20.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -13.209 7.864 -19.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -12.631 7.743 -20.985 1.00 0.00 H new ATOM 827 N ASP A 45 -5.908 6.333 -20.896 1.00 0.00 N ATOM 828 CA ASP A 45 -4.683 5.741 -21.419 1.00 0.00 C ATOM 829 C ASP A 45 -3.714 5.438 -20.269 1.00 0.00 C ATOM 830 O ASP A 45 -3.961 5.765 -19.123 1.00 0.00 O ATOM 831 CB ASP A 45 -4.036 6.761 -22.365 1.00 0.00 C ATOM 832 CG ASP A 45 -3.302 6.099 -23.547 1.00 0.00 C ATOM 833 OD1 ASP A 45 -2.199 5.632 -23.351 1.00 0.00 O ATOM 834 OD2 ASP A 45 -3.835 6.126 -24.641 1.00 0.00 O ATOM 0 H ASP A 45 -5.798 6.848 -20.022 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.910 4.812 -21.942 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -4.805 7.431 -22.750 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -3.331 7.374 -21.803 1.00 0.00 H new ATOM 839 N GLY A 46 -2.599 4.857 -20.591 1.00 0.00 N ATOM 840 CA GLY A 46 -1.560 4.556 -19.562 1.00 0.00 C ATOM 841 C GLY A 46 -1.288 3.058 -19.453 1.00 0.00 C ATOM 842 O GLY A 46 -1.934 2.244 -20.072 1.00 0.00 O ATOM 0 H GLY A 46 -2.354 4.571 -21.539 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.636 5.076 -19.815 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.885 4.938 -18.594 1.00 0.00 H new ATOM 846 N PHE A 47 -0.299 2.709 -18.671 1.00 0.00 N ATOM 847 CA PHE A 47 0.096 1.279 -18.512 1.00 0.00 C ATOM 848 C PHE A 47 -1.021 0.444 -17.898 1.00 0.00 C ATOM 849 O PHE A 47 -1.972 0.952 -17.350 1.00 0.00 O ATOM 850 CB PHE A 47 1.317 1.205 -17.596 1.00 0.00 C ATOM 851 CG PHE A 47 2.423 2.059 -18.163 1.00 0.00 C ATOM 852 CD1 PHE A 47 2.915 1.806 -19.448 1.00 0.00 C ATOM 853 CD2 PHE A 47 2.955 3.107 -17.403 1.00 0.00 C ATOM 854 CE1 PHE A 47 3.940 2.601 -19.974 1.00 0.00 C ATOM 855 CE2 PHE A 47 3.979 3.903 -17.927 1.00 0.00 C ATOM 856 CZ PHE A 47 4.472 3.649 -19.213 1.00 0.00 C ATOM 0 H PHE A 47 0.260 3.366 -18.127 1.00 0.00 H new ATOM 0 HA PHE A 47 0.316 0.879 -19.502 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.055 1.548 -16.595 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.652 0.172 -17.502 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.504 0.997 -20.034 1.00 0.00 H new ATOM 0 HD2 PHE A 47 2.575 3.301 -16.411 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.320 2.406 -20.966 1.00 0.00 H new ATOM 0 HE2 PHE A 47 4.389 4.712 -17.341 1.00 0.00 H new ATOM 0 HZ PHE A 47 5.263 4.262 -19.618 1.00 0.00 H new ATOM 866 N ILE A 48 -0.876 -0.851 -17.975 1.00 0.00 N ATOM 867 CA ILE A 48 -1.872 -1.778 -17.391 1.00 0.00 C ATOM 868 C ILE A 48 -1.123 -3.102 -17.096 1.00 0.00 C ATOM 869 O ILE A 48 -0.605 -3.702 -18.005 1.00 0.00 O ATOM 870 CB ILE A 48 -3.034 -2.027 -18.374 1.00 0.00 C ATOM 871 CG1 ILE A 48 -2.500 -2.182 -19.809 1.00 0.00 C ATOM 872 CG2 ILE A 48 -4.010 -0.850 -18.317 1.00 0.00 C ATOM 873 CD1 ILE A 48 -3.574 -2.814 -20.703 1.00 0.00 C ATOM 0 H ILE A 48 -0.088 -1.311 -18.431 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.306 -1.358 -16.484 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.546 -2.946 -18.089 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.212 -1.209 -20.206 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -1.605 -2.803 -19.807 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.832 -1.025 -19.011 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.404 -0.753 -17.305 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.490 0.067 -18.594 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.187 -2.920 -21.717 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.841 -3.796 -20.312 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.458 -2.176 -20.717 1.00 0.00 H new ATOM 885 N PRO A 49 -1.056 -3.517 -15.833 1.00 0.00 N ATOM 886 CA PRO A 49 -0.325 -4.736 -15.465 1.00 0.00 C ATOM 887 C PRO A 49 -0.997 -5.992 -16.014 1.00 0.00 C ATOM 888 O PRO A 49 -2.078 -6.343 -15.641 1.00 0.00 O ATOM 889 CB PRO A 49 -0.308 -4.726 -13.931 1.00 0.00 C ATOM 890 CG PRO A 49 -1.479 -3.802 -13.505 1.00 0.00 C ATOM 891 CD PRO A 49 -1.714 -2.848 -14.701 1.00 0.00 C ATOM 0 HA PRO A 49 0.680 -4.751 -15.887 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.437 -5.732 -13.531 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.643 -4.352 -13.552 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.375 -4.382 -13.284 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.230 -3.244 -12.602 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.777 -2.701 -14.889 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.284 -1.864 -14.516 1.00 0.00 H new ATOM 899 N LYS A 50 -0.326 -6.646 -16.913 1.00 0.00 N ATOM 900 CA LYS A 50 -0.829 -7.899 -17.560 1.00 0.00 C ATOM 901 C LYS A 50 -1.497 -8.899 -16.576 1.00 0.00 C ATOM 902 O LYS A 50 -2.201 -9.784 -17.015 1.00 0.00 O ATOM 903 CB LYS A 50 0.371 -8.582 -18.173 1.00 0.00 C ATOM 904 CG LYS A 50 -0.066 -9.521 -19.274 1.00 0.00 C ATOM 905 CD LYS A 50 1.183 -10.010 -19.986 1.00 0.00 C ATOM 906 CE LYS A 50 0.862 -11.269 -20.794 1.00 0.00 C ATOM 907 NZ LYS A 50 1.030 -12.471 -19.927 1.00 0.00 N ATOM 0 H LYS A 50 0.593 -6.354 -17.245 1.00 0.00 H new ATOM 0 HA LYS A 50 -1.595 -7.616 -18.282 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.058 -7.836 -18.573 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.913 -9.136 -17.407 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.625 -10.361 -18.861 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.729 -9.010 -19.972 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.564 -9.231 -20.646 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.967 -10.224 -19.259 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.159 -11.220 -21.173 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.521 -11.337 -21.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.812 -13.328 -20.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.011 -12.519 -19.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.384 -12.406 -19.115 1.00 0.00 H new ATOM 921 N ASN A 51 -1.263 -8.812 -15.277 1.00 0.00 N ATOM 922 CA ASN A 51 -1.873 -9.774 -14.344 1.00 0.00 C ATOM 923 C ASN A 51 -3.396 -9.669 -14.390 1.00 0.00 C ATOM 924 O ASN A 51 -4.105 -10.653 -14.288 1.00 0.00 O ATOM 925 CB ASN A 51 -1.367 -9.474 -12.971 1.00 0.00 C ATOM 926 CG ASN A 51 -0.090 -10.272 -12.696 1.00 0.00 C ATOM 927 OD1 ASN A 51 1.003 -9.788 -12.913 1.00 0.00 O ATOM 928 ND2 ASN A 51 -0.183 -11.486 -12.225 1.00 0.00 N ATOM 0 H ASN A 51 -0.670 -8.106 -14.841 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.604 -10.792 -14.626 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.167 -8.407 -12.874 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.128 -9.724 -12.232 1.00 0.00 H new ATOM 0 HD21 ASN A 51 0.661 -12.027 -12.040 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -1.100 -11.893 -12.042 1.00 0.00 H new ATOM 935 N TYR A 52 -3.891 -8.487 -14.580 1.00 0.00 N ATOM 936 CA TYR A 52 -5.353 -8.266 -14.684 1.00 0.00 C ATOM 937 C TYR A 52 -5.681 -8.125 -16.142 1.00 0.00 C ATOM 938 O TYR A 52 -6.555 -7.353 -16.520 1.00 0.00 O ATOM 939 CB TYR A 52 -5.722 -6.947 -13.991 1.00 0.00 C ATOM 940 CG TYR A 52 -5.396 -6.957 -12.557 1.00 0.00 C ATOM 941 CD1 TYR A 52 -4.075 -7.004 -12.133 1.00 0.00 C ATOM 942 CD2 TYR A 52 -6.422 -6.857 -11.646 1.00 0.00 C ATOM 943 CE1 TYR A 52 -3.788 -6.963 -10.786 1.00 0.00 C ATOM 944 CE2 TYR A 52 -6.149 -6.808 -10.303 1.00 0.00 C ATOM 945 CZ TYR A 52 -4.825 -6.865 -9.856 1.00 0.00 C ATOM 946 OH TYR A 52 -4.543 -6.814 -8.509 1.00 0.00 O ATOM 0 H TYR A 52 -3.329 -7.641 -14.670 1.00 0.00 H new ATOM 0 HA TYR A 52 -5.895 -9.092 -14.222 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.194 -6.125 -14.475 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -6.788 -6.759 -14.117 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -3.276 -7.072 -12.856 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -7.445 -6.817 -11.989 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -2.763 -7.007 -10.450 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -6.956 -6.725 -9.590 1.00 0.00 H new ATOM 0 HH TYR A 52 -4.111 -5.960 -8.297 1.00 0.00 H new ATOM 956 N ILE A 53 -4.955 -8.811 -16.994 1.00 0.00 N ATOM 957 CA ILE A 53 -5.202 -8.651 -18.430 1.00 0.00 C ATOM 958 C ILE A 53 -4.668 -9.829 -19.247 1.00 0.00 C ATOM 959 O ILE A 53 -3.990 -10.709 -18.759 1.00 0.00 O ATOM 960 CB ILE A 53 -4.498 -7.388 -18.974 1.00 0.00 C ATOM 961 CG1 ILE A 53 -4.189 -6.366 -17.883 1.00 0.00 C ATOM 962 CG2 ILE A 53 -5.369 -6.728 -20.025 1.00 0.00 C ATOM 963 CD1 ILE A 53 -3.266 -5.339 -18.460 1.00 0.00 C ATOM 0 H ILE A 53 -4.213 -9.465 -16.744 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.285 -8.582 -18.534 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.551 -7.717 -19.402 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -5.107 -5.897 -17.529 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -3.728 -6.853 -17.024 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.868 -5.838 -20.406 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.542 -7.426 -20.845 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -6.324 -6.446 -19.581 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.029 -4.595 -17.700 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.348 -5.822 -18.794 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.748 -4.851 -19.307 1.00 0.00 H new ATOM 975 N GLU A 54 -4.929 -9.770 -20.522 1.00 0.00 N ATOM 976 CA GLU A 54 -4.438 -10.757 -21.466 1.00 0.00 C ATOM 977 C GLU A 54 -4.294 -10.037 -22.810 1.00 0.00 C ATOM 978 O GLU A 54 -4.875 -8.978 -23.018 1.00 0.00 O ATOM 979 CB GLU A 54 -5.401 -11.916 -21.578 1.00 0.00 C ATOM 980 CG GLU A 54 -4.748 -13.195 -21.040 1.00 0.00 C ATOM 981 CD GLU A 54 -5.421 -14.415 -21.670 1.00 0.00 C ATOM 982 OE1 GLU A 54 -6.395 -14.887 -21.106 1.00 0.00 O ATOM 983 OE2 GLU A 54 -4.953 -14.856 -22.707 1.00 0.00 O ATOM 0 H GLU A 54 -5.492 -9.034 -20.948 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.484 -11.172 -21.140 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.311 -11.699 -21.018 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.693 -12.057 -22.619 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.682 -13.196 -21.269 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.841 -13.235 -19.955 1.00 0.00 H new ATOM 990 N MET A 55 -3.511 -10.567 -23.694 1.00 0.00 N ATOM 991 CA MET A 55 -3.276 -9.871 -25.000 1.00 0.00 C ATOM 992 C MET A 55 -4.087 -10.472 -26.142 1.00 0.00 C ATOM 993 O MET A 55 -3.822 -11.572 -26.593 1.00 0.00 O ATOM 994 CB MET A 55 -1.793 -9.970 -25.344 1.00 0.00 C ATOM 995 CG MET A 55 -1.422 -8.848 -26.304 1.00 0.00 C ATOM 996 SD MET A 55 -1.755 -9.374 -28.003 1.00 0.00 S ATOM 997 CE MET A 55 -0.525 -10.700 -28.076 1.00 0.00 C ATOM 0 H MET A 55 -3.018 -11.453 -23.579 1.00 0.00 H new ATOM 0 HA MET A 55 -3.594 -8.835 -24.884 1.00 0.00 H new ATOM 0 HB2 MET A 55 -1.192 -9.901 -24.437 1.00 0.00 H new ATOM 0 HB3 MET A 55 -1.577 -10.938 -25.797 1.00 0.00 H new ATOM 0 HG2 MET A 55 -1.995 -7.951 -26.071 1.00 0.00 H new ATOM 0 HG3 MET A 55 -0.369 -8.592 -26.191 1.00 0.00 H new ATOM 0 HE1 MET A 55 -0.054 -10.706 -29.059 1.00 0.00 H new ATOM 0 HE2 MET A 55 0.234 -10.535 -27.311 1.00 0.00 H new ATOM 0 HE3 MET A 55 -1.013 -11.659 -27.902 1.00 0.00 H new ATOM 1007 N LYS A 56 -5.058 -9.734 -26.642 1.00 0.00 N ATOM 1008 CA LYS A 56 -5.854 -10.218 -27.760 1.00 0.00 C ATOM 1009 C LYS A 56 -5.337 -9.658 -29.094 1.00 0.00 C ATOM 1010 O LYS A 56 -5.006 -8.473 -29.192 1.00 0.00 O ATOM 1011 CB LYS A 56 -7.286 -9.834 -27.556 1.00 0.00 C ATOM 1012 CG LYS A 56 -7.989 -10.954 -26.803 1.00 0.00 C ATOM 1013 CD LYS A 56 -9.385 -10.494 -26.341 1.00 0.00 C ATOM 1014 CE LYS A 56 -10.208 -10.025 -27.550 1.00 0.00 C ATOM 1015 NZ LYS A 56 -11.650 -9.897 -27.170 1.00 0.00 N ATOM 0 H LYS A 56 -5.315 -8.808 -26.300 1.00 0.00 H new ATOM 0 HA LYS A 56 -5.770 -11.304 -27.801 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -7.351 -8.902 -26.994 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.772 -9.662 -28.517 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -8.081 -11.830 -27.444 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -7.393 -11.252 -25.940 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.898 -11.312 -25.836 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -9.290 -9.683 -25.619 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -9.831 -9.067 -27.907 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -10.101 -10.735 -28.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -12.242 -10.339 -27.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.813 -10.372 -26.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -11.898 -8.891 -27.084 1.00 0.00 H new