USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 610 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 14 LYS NZ :NH3+ -114:sc= -0.256 (180deg=-0.572) USER MOD Single : A 15 GLN : amide:sc= -0.891 K(o=-0.89,f=-5.9!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc=-0.00809 X(o=-0.0081,f=-0.0074) USER MOD Single : A 65 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0854) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 CYS SG : rot 180:sc= -3.42! USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -65:sc= 1.19 USER MOD Single : A 95 THR OG1 : rot -43:sc= 0.418 USER MOD Single : A 96 LYS NZ :NH3+ -126:sc= -0.711 (180deg=-2.48!) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 117 CYS SG : rot -14:sc= 0.0604 USER MOD ----------------------------------------------------------------- ATOM 119 N VAL A 13 -7.150 3.781 11.857 1.00 0.00 N ATOM 120 CA VAL A 13 -8.582 3.594 11.655 1.00 0.00 C ATOM 121 C VAL A 13 -8.994 2.155 11.944 1.00 0.00 C ATOM 122 O VAL A 13 -10.006 1.907 12.600 1.00 0.00 O ATOM 123 CB VAL A 13 -8.998 3.957 10.217 1.00 0.00 C ATOM 124 CG1 VAL A 13 -10.485 3.713 10.013 1.00 0.00 C ATOM 125 CG2 VAL A 13 -8.639 5.402 9.907 1.00 0.00 C ATOM 0 HA VAL A 13 -9.090 4.261 12.351 1.00 0.00 H new ATOM 0 HB VAL A 13 -8.451 3.315 9.527 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -10.760 3.975 8.991 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -10.709 2.661 10.190 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -11.054 4.328 10.711 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.940 5.641 8.887 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.157 6.063 10.602 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.563 5.539 10.009 1.00 0.00 H new ATOM 135 N LYS A 14 -8.204 1.208 11.449 1.00 0.00 N ATOM 136 CA LYS A 14 -8.484 -0.208 11.655 1.00 0.00 C ATOM 137 C LYS A 14 -7.209 -0.971 11.997 1.00 0.00 C ATOM 138 O LYS A 14 -6.135 -0.666 11.479 1.00 0.00 O ATOM 139 CB LYS A 14 -9.130 -0.808 10.403 1.00 0.00 C ATOM 140 CG LYS A 14 -9.884 -2.099 10.668 1.00 0.00 C ATOM 141 CD LYS A 14 -9.882 -3.006 9.449 1.00 0.00 C ATOM 142 CE LYS A 14 -10.449 -4.379 9.775 1.00 0.00 C ATOM 143 NZ LYS A 14 -9.585 -5.123 10.733 1.00 0.00 N ATOM 0 H LYS A 14 -7.364 1.396 10.902 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.176 -0.298 12.493 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -9.816 -0.078 9.973 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.356 -0.995 9.659 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.430 -2.620 11.511 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.912 -1.870 10.951 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -10.469 -2.548 8.653 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.864 -3.111 9.074 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -11.448 -4.268 10.197 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -10.553 -4.956 8.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -9.179 -5.956 10.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -8.817 -4.503 11.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -10.154 -5.430 11.547 1.00 0.00 H new ATOM 157 N GLN A 15 -7.335 -1.964 12.872 1.00 0.00 N ATOM 158 CA GLN A 15 -6.192 -2.770 13.282 1.00 0.00 C ATOM 159 C GLN A 15 -6.483 -4.257 13.106 1.00 0.00 C ATOM 160 O GLN A 15 -7.537 -4.745 13.512 1.00 0.00 O ATOM 161 CB GLN A 15 -5.830 -2.477 14.739 1.00 0.00 C ATOM 162 CG GLN A 15 -5.108 -1.154 14.932 1.00 0.00 C ATOM 163 CD GLN A 15 -6.060 0.005 15.153 1.00 0.00 C ATOM 164 OE1 GLN A 15 -7.233 -0.063 14.785 1.00 0.00 O ATOM 165 NE2 GLN A 15 -5.559 1.076 15.756 1.00 0.00 N ATOM 0 H GLN A 15 -8.217 -2.229 13.310 1.00 0.00 H new ATOM 0 HA GLN A 15 -5.347 -2.506 12.646 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -6.741 -2.475 15.338 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -5.201 -3.283 15.118 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -4.434 -1.233 15.785 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -4.491 -0.950 14.057 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -4.581 1.088 16.044 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -6.152 1.887 15.931 1.00 0.00 H new ATOM 174 N GLY A 16 -5.541 -4.972 12.499 1.00 0.00 N ATOM 175 CA GLY A 16 -5.717 -6.396 12.280 1.00 0.00 C ATOM 176 C GLY A 16 -4.427 -7.084 11.878 1.00 0.00 C ATOM 177 O GLY A 16 -3.401 -6.432 11.686 1.00 0.00 O ATOM 0 H GLY A 16 -4.660 -4.591 12.155 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -6.102 -6.856 13.190 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.466 -6.551 11.503 1.00 0.00 H new ATOM 181 N PHE A 17 -4.478 -8.406 11.752 1.00 0.00 N ATOM 182 CA PHE A 17 -3.304 -9.184 11.373 1.00 0.00 C ATOM 183 C PHE A 17 -3.362 -9.572 9.898 1.00 0.00 C ATOM 184 O PHE A 17 -4.334 -10.174 9.441 1.00 0.00 O ATOM 185 CB PHE A 17 -3.197 -10.440 12.239 1.00 0.00 C ATOM 186 CG PHE A 17 -3.071 -10.148 13.707 1.00 0.00 C ATOM 187 CD1 PHE A 17 -2.105 -9.270 14.172 1.00 0.00 C ATOM 188 CD2 PHE A 17 -3.919 -10.750 14.622 1.00 0.00 C ATOM 189 CE1 PHE A 17 -1.987 -8.998 15.522 1.00 0.00 C ATOM 190 CE2 PHE A 17 -3.806 -10.482 15.973 1.00 0.00 C ATOM 191 CZ PHE A 17 -2.838 -9.606 16.424 1.00 0.00 C ATOM 0 H PHE A 17 -5.320 -8.961 11.907 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.421 -8.565 11.533 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.078 -11.061 12.075 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.333 -11.021 11.917 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.436 -8.793 13.471 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.677 -11.437 14.276 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.230 -8.311 15.871 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.474 -10.957 16.676 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.747 -9.397 17.480 1.00 0.00 H new ATOM 201 N LEU A 18 -2.315 -9.223 9.159 1.00 0.00 N ATOM 202 CA LEU A 18 -2.245 -9.534 7.736 1.00 0.00 C ATOM 203 C LEU A 18 -1.143 -10.550 7.453 1.00 0.00 C ATOM 204 O LEU A 18 -0.095 -10.540 8.100 1.00 0.00 O ATOM 205 CB LEU A 18 -1.998 -8.259 6.927 1.00 0.00 C ATOM 206 CG LEU A 18 -3.203 -7.334 6.746 1.00 0.00 C ATOM 207 CD1 LEU A 18 -2.790 -6.050 6.045 1.00 0.00 C ATOM 208 CD2 LEU A 18 -4.304 -8.039 5.967 1.00 0.00 C ATOM 0 H LEU A 18 -1.503 -8.724 9.522 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.199 -9.968 7.437 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.201 -7.694 7.411 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.633 -8.544 5.940 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.590 -7.077 7.732 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.660 -5.405 5.925 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.037 -5.536 6.642 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.377 -6.287 5.065 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.153 -7.366 5.848 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.928 -8.327 4.985 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.620 -8.930 6.510 1.00 0.00 H new ATOM 220 N TYR A 19 -1.387 -11.424 6.484 1.00 0.00 N ATOM 221 CA TYR A 19 -0.415 -12.447 6.116 1.00 0.00 C ATOM 222 C TYR A 19 0.228 -12.129 4.769 1.00 0.00 C ATOM 223 O TYR A 19 -0.449 -11.719 3.826 1.00 0.00 O ATOM 224 CB TYR A 19 -1.086 -13.821 6.061 1.00 0.00 C ATOM 225 CG TYR A 19 -2.113 -14.037 7.149 1.00 0.00 C ATOM 226 CD1 TYR A 19 -1.737 -14.103 8.485 1.00 0.00 C ATOM 227 CD2 TYR A 19 -3.461 -14.174 6.841 1.00 0.00 C ATOM 228 CE1 TYR A 19 -2.672 -14.301 9.482 1.00 0.00 C ATOM 229 CE2 TYR A 19 -4.404 -14.371 7.832 1.00 0.00 C ATOM 230 CZ TYR A 19 -4.004 -14.434 9.151 1.00 0.00 C ATOM 231 OH TYR A 19 -4.939 -14.630 10.141 1.00 0.00 O ATOM 0 H TYR A 19 -2.249 -11.445 5.939 1.00 0.00 H new ATOM 0 HA TYR A 19 0.366 -12.461 6.877 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.566 -13.943 5.090 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -0.320 -14.593 6.137 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -0.695 -13.998 8.749 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.777 -14.126 5.809 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.362 -14.351 10.515 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.448 -14.475 7.575 1.00 0.00 H new ATOM 0 HH TYR A 19 -5.830 -14.703 9.740 1.00 0.00 H new ATOM 241 N LEU A 20 1.540 -12.321 4.688 1.00 0.00 N ATOM 242 CA LEU A 20 2.277 -12.056 3.457 1.00 0.00 C ATOM 243 C LEU A 20 2.978 -13.316 2.960 1.00 0.00 C ATOM 244 O LEU A 20 4.033 -13.693 3.471 1.00 0.00 O ATOM 245 CB LEU A 20 3.303 -10.943 3.684 1.00 0.00 C ATOM 246 CG LEU A 20 4.222 -10.628 2.504 1.00 0.00 C ATOM 247 CD1 LEU A 20 3.410 -10.413 1.236 1.00 0.00 C ATOM 248 CD2 LEU A 20 5.077 -9.406 2.805 1.00 0.00 C ATOM 0 H LEU A 20 2.115 -12.659 5.460 1.00 0.00 H new ATOM 0 HA LEU A 20 1.564 -11.736 2.697 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.768 -10.033 3.955 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.922 -11.216 4.539 1.00 0.00 H new ATOM 0 HG LEU A 20 4.883 -11.480 2.347 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.082 -10.190 0.407 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.842 -11.316 1.010 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.723 -9.579 1.381 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.725 -9.197 1.954 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.432 -8.547 2.990 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.688 -9.598 3.687 1.00 0.00 H new ATOM 260 N GLN A 21 2.386 -13.961 1.960 1.00 0.00 N ATOM 261 CA GLN A 21 2.955 -15.177 1.393 1.00 0.00 C ATOM 262 C GLN A 21 4.220 -14.868 0.600 1.00 0.00 C ATOM 263 O GLN A 21 4.176 -14.155 -0.402 1.00 0.00 O ATOM 264 CB GLN A 21 1.932 -15.873 0.494 1.00 0.00 C ATOM 265 CG GLN A 21 2.451 -17.153 -0.142 1.00 0.00 C ATOM 266 CD GLN A 21 1.470 -17.755 -1.127 1.00 0.00 C ATOM 267 OE1 GLN A 21 1.343 -17.288 -2.259 1.00 0.00 O ATOM 268 NE2 GLN A 21 0.768 -18.799 -0.701 1.00 0.00 N ATOM 0 H GLN A 21 1.513 -13.662 1.526 1.00 0.00 H new ATOM 0 HA GLN A 21 3.218 -15.843 2.215 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.043 -16.103 1.081 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.625 -15.185 -0.293 1.00 0.00 H new ATOM 0 HG2 GLN A 21 3.391 -16.945 -0.653 1.00 0.00 H new ATOM 0 HG3 GLN A 21 2.667 -17.881 0.640 1.00 0.00 H new ATOM 0 HE21 GLN A 21 0.905 -19.154 0.245 1.00 0.00 H new ATOM 0 HE22 GLN A 21 0.092 -19.246 -1.320 1.00 0.00 H new ATOM 413 N TRP A 30 2.460 -18.810 5.114 1.00 0.00 N ATOM 414 CA TRP A 30 1.836 -17.560 5.536 1.00 0.00 C ATOM 415 C TRP A 30 2.416 -17.084 6.863 1.00 0.00 C ATOM 416 O TRP A 30 2.434 -17.826 7.846 1.00 0.00 O ATOM 417 CB TRP A 30 0.323 -17.739 5.662 1.00 0.00 C ATOM 418 CG TRP A 30 -0.373 -17.864 4.340 1.00 0.00 C ATOM 419 CD1 TRP A 30 -0.916 -18.996 3.803 1.00 0.00 C ATOM 420 CD2 TRP A 30 -0.598 -16.818 3.388 1.00 0.00 C ATOM 421 NE1 TRP A 30 -1.465 -18.717 2.575 1.00 0.00 N ATOM 422 CE2 TRP A 30 -1.284 -17.388 2.298 1.00 0.00 C ATOM 423 CE3 TRP A 30 -0.288 -15.456 3.352 1.00 0.00 C ATOM 424 CZ2 TRP A 30 -1.663 -16.642 1.185 1.00 0.00 C ATOM 425 CZ3 TRP A 30 -0.665 -14.717 2.247 1.00 0.00 C ATOM 426 CH2 TRP A 30 -1.347 -15.310 1.176 1.00 0.00 C ATOM 0 HA TRP A 30 2.043 -16.805 4.778 1.00 0.00 H new ATOM 0 HB2 TRP A 30 0.118 -18.628 6.258 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -0.092 -16.889 6.204 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -0.914 -19.968 4.274 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -1.932 -19.391 1.968 1.00 0.00 H new ATOM 0 HE3 TRP A 30 0.237 -14.989 4.173 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -2.188 -17.098 0.358 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -0.430 -13.664 2.208 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -1.629 -14.705 0.327 1.00 0.00 H new ATOM 437 N ARG A 31 2.890 -15.843 6.885 1.00 0.00 N ATOM 438 CA ARG A 31 3.472 -15.268 8.092 1.00 0.00 C ATOM 439 C ARG A 31 2.614 -14.120 8.617 1.00 0.00 C ATOM 440 O ARG A 31 2.236 -13.222 7.865 1.00 0.00 O ATOM 441 CB ARG A 31 4.892 -14.772 7.814 1.00 0.00 C ATOM 442 CG ARG A 31 5.797 -14.799 9.034 1.00 0.00 C ATOM 443 CD ARG A 31 7.251 -15.021 8.645 1.00 0.00 C ATOM 444 NE ARG A 31 7.588 -16.440 8.576 1.00 0.00 N ATOM 445 CZ ARG A 31 7.826 -17.192 9.646 1.00 0.00 C ATOM 446 NH1 ARG A 31 7.763 -16.662 10.859 1.00 0.00 N ATOM 447 NH2 ARG A 31 8.126 -18.476 9.502 1.00 0.00 N ATOM 0 H ARG A 31 2.883 -15.216 6.081 1.00 0.00 H new ATOM 0 HA ARG A 31 3.510 -16.048 8.853 1.00 0.00 H new ATOM 0 HB2 ARG A 31 5.335 -15.386 7.030 1.00 0.00 H new ATOM 0 HB3 ARG A 31 4.843 -13.753 7.431 1.00 0.00 H new ATOM 0 HG2 ARG A 31 5.704 -13.859 9.578 1.00 0.00 H new ATOM 0 HG3 ARG A 31 5.475 -15.591 9.710 1.00 0.00 H new ATOM 0 HD2 ARG A 31 7.443 -14.555 7.678 1.00 0.00 H new ATOM 0 HD3 ARG A 31 7.899 -14.529 9.370 1.00 0.00 H new ATOM 0 HE ARG A 31 7.644 -16.878 7.657 1.00 0.00 H new ATOM 0 HH11 ARG A 31 7.531 -15.675 10.973 1.00 0.00 H new ATOM 0 HH12 ARG A 31 7.946 -17.241 11.679 1.00 0.00 H new ATOM 0 HH21 ARG A 31 8.174 -18.887 8.570 1.00 0.00 H new ATOM 0 HH22 ARG A 31 8.309 -19.052 10.324 1.00 0.00 H new ATOM 461 N ARG A 32 2.310 -14.158 9.910 1.00 0.00 N ATOM 462 CA ARG A 32 1.496 -13.123 10.534 1.00 0.00 C ATOM 463 C ARG A 32 2.317 -11.861 10.782 1.00 0.00 C ATOM 464 O ARG A 32 3.460 -11.930 11.234 1.00 0.00 O ATOM 465 CB ARG A 32 0.910 -13.630 11.853 1.00 0.00 C ATOM 466 CG ARG A 32 -0.383 -12.938 12.251 1.00 0.00 C ATOM 467 CD ARG A 32 -0.916 -13.471 13.572 1.00 0.00 C ATOM 468 NE ARG A 32 -1.770 -14.641 13.386 1.00 0.00 N ATOM 469 CZ ARG A 32 -2.478 -15.197 14.362 1.00 0.00 C ATOM 470 NH1 ARG A 32 -2.436 -14.691 15.587 1.00 0.00 N ATOM 471 NH2 ARG A 32 -3.232 -16.260 14.114 1.00 0.00 N ATOM 0 H ARG A 32 2.615 -14.895 10.546 1.00 0.00 H new ATOM 0 HA ARG A 32 0.681 -12.878 9.853 1.00 0.00 H new ATOM 0 HB2 ARG A 32 0.728 -14.702 11.772 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.646 -13.490 12.645 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -0.212 -11.865 12.333 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -1.130 -13.083 11.471 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.080 -13.732 14.221 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -1.480 -12.687 14.078 1.00 0.00 H new ATOM 0 HE ARG A 32 -1.826 -15.054 12.455 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -1.859 -13.873 15.781 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -2.981 -15.120 16.335 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -3.268 -16.651 13.173 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -3.775 -16.686 14.865 1.00 0.00 H new ATOM 485 N PHE A 33 1.727 -10.709 10.482 1.00 0.00 N ATOM 486 CA PHE A 33 2.404 -9.431 10.671 1.00 0.00 C ATOM 487 C PHE A 33 1.417 -8.351 11.106 1.00 0.00 C ATOM 488 O PHE A 33 0.411 -8.110 10.440 1.00 0.00 O ATOM 489 CB PHE A 33 3.106 -9.006 9.380 1.00 0.00 C ATOM 490 CG PHE A 33 4.182 -9.957 8.941 1.00 0.00 C ATOM 491 CD1 PHE A 33 5.106 -10.446 9.851 1.00 0.00 C ATOM 492 CD2 PHE A 33 4.270 -10.363 7.619 1.00 0.00 C ATOM 493 CE1 PHE A 33 6.097 -11.323 9.451 1.00 0.00 C ATOM 494 CE2 PHE A 33 5.259 -11.239 7.213 1.00 0.00 C ATOM 495 CZ PHE A 33 6.174 -11.718 8.130 1.00 0.00 C ATOM 0 H PHE A 33 0.781 -10.634 10.107 1.00 0.00 H new ATOM 0 HA PHE A 33 3.148 -9.556 11.457 1.00 0.00 H new ATOM 0 HB2 PHE A 33 2.365 -8.917 8.586 1.00 0.00 H new ATOM 0 HB3 PHE A 33 3.542 -8.017 9.522 1.00 0.00 H new ATOM 0 HD1 PHE A 33 5.051 -10.138 10.885 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.558 -9.991 6.898 1.00 0.00 H new ATOM 0 HE1 PHE A 33 6.810 -11.699 10.170 1.00 0.00 H new ATOM 0 HE2 PHE A 33 5.316 -11.549 6.180 1.00 0.00 H new ATOM 0 HZ PHE A 33 6.949 -12.401 7.814 1.00 0.00 H new ATOM 505 N GLY A 34 1.713 -7.705 12.230 1.00 0.00 N ATOM 506 CA GLY A 34 0.843 -6.660 12.736 1.00 0.00 C ATOM 507 C GLY A 34 0.642 -5.538 11.736 1.00 0.00 C ATOM 508 O GLY A 34 1.552 -4.747 11.489 1.00 0.00 O ATOM 0 H GLY A 34 2.540 -7.887 12.799 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.125 -7.090 12.994 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.266 -6.253 13.654 1.00 0.00 H new ATOM 512 N ALA A 35 -0.553 -5.471 11.157 1.00 0.00 N ATOM 513 CA ALA A 35 -0.870 -4.438 10.178 1.00 0.00 C ATOM 514 C ALA A 35 -1.617 -3.278 10.827 1.00 0.00 C ATOM 515 O ALA A 35 -2.317 -3.458 11.823 1.00 0.00 O ATOM 516 CB ALA A 35 -1.690 -5.025 9.039 1.00 0.00 C ATOM 0 H ALA A 35 -1.317 -6.119 11.349 1.00 0.00 H new ATOM 0 HA ALA A 35 0.067 -4.053 9.776 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.920 -4.243 8.315 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.120 -5.816 8.550 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.618 -5.438 9.434 1.00 0.00 H new ATOM 522 N SER A 36 -1.462 -2.087 10.257 1.00 0.00 N ATOM 523 CA SER A 36 -2.118 -0.896 10.783 1.00 0.00 C ATOM 524 C SER A 36 -2.563 0.024 9.650 1.00 0.00 C ATOM 525 O SER A 36 -1.750 0.464 8.837 1.00 0.00 O ATOM 526 CB SER A 36 -1.178 -0.144 11.727 1.00 0.00 C ATOM 527 OG SER A 36 -1.011 -0.847 12.946 1.00 0.00 O ATOM 0 H SER A 36 -0.888 -1.922 9.431 1.00 0.00 H new ATOM 0 HA SER A 36 -3.001 -1.213 11.338 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.209 -0.006 11.247 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.578 0.850 11.928 1.00 0.00 H new ATOM 0 HG SER A 36 -0.405 -0.347 13.532 1.00 0.00 H new ATOM 533 N LEU A 37 -3.859 0.311 9.604 1.00 0.00 N ATOM 534 CA LEU A 37 -4.414 1.180 8.572 1.00 0.00 C ATOM 535 C LEU A 37 -4.458 2.629 9.045 1.00 0.00 C ATOM 536 O LEU A 37 -5.276 2.992 9.890 1.00 0.00 O ATOM 537 CB LEU A 37 -5.820 0.714 8.188 1.00 0.00 C ATOM 538 CG LEU A 37 -6.455 1.416 6.987 1.00 0.00 C ATOM 539 CD1 LEU A 37 -5.844 0.912 5.689 1.00 0.00 C ATOM 540 CD2 LEU A 37 -7.963 1.210 6.985 1.00 0.00 C ATOM 0 H LEU A 37 -4.545 -0.045 10.269 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.767 1.123 7.697 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.783 -0.355 7.980 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.474 0.849 9.050 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.255 2.484 7.067 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.309 1.423 4.846 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.773 1.112 5.689 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.012 -0.161 5.600 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.398 1.716 6.123 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.185 0.144 6.930 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -8.388 1.622 7.901 1.00 0.00 H new ATOM 552 N TYR A 38 -3.574 3.453 8.493 1.00 0.00 N ATOM 553 CA TYR A 38 -3.512 4.863 8.859 1.00 0.00 C ATOM 554 C TYR A 38 -4.003 5.745 7.715 1.00 0.00 C ATOM 555 O TYR A 38 -3.868 5.394 6.543 1.00 0.00 O ATOM 556 CB TYR A 38 -2.081 5.250 9.237 1.00 0.00 C ATOM 557 CG TYR A 38 -1.584 4.575 10.495 1.00 0.00 C ATOM 558 CD1 TYR A 38 -1.887 5.090 11.750 1.00 0.00 C ATOM 559 CD2 TYR A 38 -0.811 3.422 10.430 1.00 0.00 C ATOM 560 CE1 TYR A 38 -1.435 4.477 12.902 1.00 0.00 C ATOM 561 CE2 TYR A 38 -0.356 2.802 11.577 1.00 0.00 C ATOM 562 CZ TYR A 38 -0.670 3.333 12.811 1.00 0.00 C ATOM 563 OH TYR A 38 -0.217 2.719 13.956 1.00 0.00 O ATOM 0 H TYR A 38 -2.891 3.169 7.791 1.00 0.00 H new ATOM 0 HA TYR A 38 -4.164 5.018 9.719 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -1.415 4.997 8.412 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -2.029 6.331 9.370 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.486 5.985 11.826 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -0.562 3.004 9.466 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.679 4.891 13.869 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.243 1.906 11.508 1.00 0.00 H new ATOM 0 HH TYR A 38 0.306 1.926 13.717 1.00 0.00 H new ATOM 573 N GLY A 39 -4.575 6.893 8.065 1.00 0.00 N ATOM 574 CA GLY A 39 -5.078 7.809 7.057 1.00 0.00 C ATOM 575 C GLY A 39 -6.272 8.606 7.543 1.00 0.00 C ATOM 576 O GLY A 39 -6.677 8.489 8.699 1.00 0.00 O ATOM 0 H GLY A 39 -4.699 7.205 9.028 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.283 8.494 6.764 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.359 7.246 6.167 1.00 0.00 H new ATOM 650 N ALA A 46 -1.558 8.550 4.865 1.00 0.00 N ATOM 651 CA ALA A 46 -2.200 7.246 4.754 1.00 0.00 C ATOM 652 C ALA A 46 -1.222 6.194 4.244 1.00 0.00 C ATOM 653 O ALA A 46 -0.604 6.364 3.193 1.00 0.00 O ATOM 654 CB ALA A 46 -3.412 7.332 3.837 1.00 0.00 C ATOM 0 HA ALA A 46 -2.530 6.945 5.748 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.882 6.351 3.763 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.127 8.047 4.244 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.096 7.659 2.846 1.00 0.00 H new ATOM 660 N ARG A 47 -1.085 5.106 4.996 1.00 0.00 N ATOM 661 CA ARG A 47 -0.180 4.027 4.621 1.00 0.00 C ATOM 662 C ARG A 47 -0.400 2.801 5.503 1.00 0.00 C ATOM 663 O ARG A 47 -0.987 2.897 6.582 1.00 0.00 O ATOM 664 CB ARG A 47 1.274 4.491 4.729 1.00 0.00 C ATOM 665 CG ARG A 47 1.677 4.911 6.133 1.00 0.00 C ATOM 666 CD ARG A 47 2.794 5.942 6.107 1.00 0.00 C ATOM 667 NE ARG A 47 2.967 6.594 7.402 1.00 0.00 N ATOM 668 CZ ARG A 47 3.740 7.658 7.592 1.00 0.00 C ATOM 669 NH1 ARG A 47 4.407 8.187 6.575 1.00 0.00 N ATOM 670 NH2 ARG A 47 3.846 8.195 8.800 1.00 0.00 N ATOM 0 H ARG A 47 -1.590 4.949 5.868 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.391 3.753 3.587 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.929 3.685 4.398 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.431 5.329 4.049 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.812 5.323 6.653 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.001 4.036 6.697 1.00 0.00 H new ATOM 0 HD2 ARG A 47 3.727 5.459 5.817 1.00 0.00 H new ATOM 0 HD3 ARG A 47 2.576 6.694 5.349 1.00 0.00 H new ATOM 0 HE ARG A 47 2.467 6.212 8.205 1.00 0.00 H new ATOM 0 HH11 ARG A 47 4.327 7.777 5.644 1.00 0.00 H new ATOM 0 HH12 ARG A 47 5.000 9.004 6.723 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.334 7.791 9.584 1.00 0.00 H new ATOM 0 HH22 ARG A 47 4.440 9.012 8.945 1.00 0.00 H new ATOM 684 N LEU A 48 0.072 1.651 5.036 1.00 0.00 N ATOM 685 CA LEU A 48 -0.073 0.405 5.782 1.00 0.00 C ATOM 686 C LEU A 48 1.233 0.029 6.474 1.00 0.00 C ATOM 687 O LEU A 48 2.227 -0.279 5.817 1.00 0.00 O ATOM 688 CB LEU A 48 -0.512 -0.723 4.847 1.00 0.00 C ATOM 689 CG LEU A 48 -1.363 -1.825 5.479 1.00 0.00 C ATOM 690 CD1 LEU A 48 -2.620 -1.238 6.103 1.00 0.00 C ATOM 691 CD2 LEU A 48 -1.723 -2.881 4.444 1.00 0.00 C ATOM 0 H LEU A 48 0.558 1.555 4.145 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.837 0.554 6.546 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.074 -0.286 4.022 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.380 -1.181 4.419 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.779 -2.301 6.267 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.213 -2.037 6.548 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.342 -0.520 6.875 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.207 -0.735 5.334 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.329 -3.657 4.912 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.287 -2.419 3.634 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.811 -3.324 4.044 1.00 0.00 H new ATOM 703 N GLU A 49 1.221 0.055 7.803 1.00 0.00 N ATOM 704 CA GLU A 49 2.405 -0.286 8.583 1.00 0.00 C ATOM 705 C GLU A 49 2.436 -1.777 8.903 1.00 0.00 C ATOM 706 O GLU A 49 1.434 -2.354 9.325 1.00 0.00 O ATOM 707 CB GLU A 49 2.439 0.526 9.880 1.00 0.00 C ATOM 708 CG GLU A 49 3.027 1.917 9.712 1.00 0.00 C ATOM 709 CD GLU A 49 4.543 1.919 9.750 1.00 0.00 C ATOM 710 OE1 GLU A 49 5.143 0.854 9.494 1.00 0.00 O ATOM 711 OE2 GLU A 49 5.128 2.984 10.035 1.00 0.00 O ATOM 0 H GLU A 49 0.406 0.308 8.361 1.00 0.00 H new ATOM 0 HA GLU A 49 3.284 -0.042 7.986 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.425 0.614 10.270 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.021 -0.018 10.624 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.691 2.337 8.764 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.647 2.566 10.501 1.00 0.00 H new ATOM 718 N LEU A 50 3.594 -2.396 8.697 1.00 0.00 N ATOM 719 CA LEU A 50 3.757 -3.821 8.962 1.00 0.00 C ATOM 720 C LEU A 50 4.981 -4.076 9.836 1.00 0.00 C ATOM 721 O LEU A 50 5.961 -3.335 9.778 1.00 0.00 O ATOM 722 CB LEU A 50 3.885 -4.594 7.648 1.00 0.00 C ATOM 723 CG LEU A 50 2.625 -4.661 6.784 1.00 0.00 C ATOM 724 CD1 LEU A 50 2.944 -5.258 5.422 1.00 0.00 C ATOM 725 CD2 LEU A 50 1.542 -5.469 7.482 1.00 0.00 C ATOM 0 H LEU A 50 4.433 -1.933 8.347 1.00 0.00 H new ATOM 0 HA LEU A 50 2.873 -4.169 9.496 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.682 -4.140 7.059 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.199 -5.612 7.878 1.00 0.00 H new ATOM 0 HG LEU A 50 2.254 -3.647 6.636 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.036 -5.298 4.821 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.686 -4.639 4.918 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.339 -6.266 5.550 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.653 -5.506 6.853 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.902 -6.482 7.661 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.294 -4.999 8.434 1.00 0.00 H new ATOM 737 N GLN A 51 4.916 -5.130 10.643 1.00 0.00 N ATOM 738 CA GLN A 51 6.020 -5.483 11.528 1.00 0.00 C ATOM 739 C GLN A 51 6.214 -6.995 11.581 1.00 0.00 C ATOM 740 O GLN A 51 5.249 -7.749 11.705 1.00 0.00 O ATOM 741 CB GLN A 51 5.768 -4.940 12.935 1.00 0.00 C ATOM 742 CG GLN A 51 4.562 -5.563 13.621 1.00 0.00 C ATOM 743 CD GLN A 51 4.292 -4.962 14.986 1.00 0.00 C ATOM 744 OE1 GLN A 51 5.182 -4.891 15.833 1.00 0.00 O ATOM 745 NE2 GLN A 51 3.057 -4.525 15.207 1.00 0.00 N ATOM 0 H GLN A 51 4.111 -5.754 10.702 1.00 0.00 H new ATOM 0 HA GLN A 51 6.929 -5.032 11.130 1.00 0.00 H new ATOM 0 HB2 GLN A 51 6.653 -5.114 13.547 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.626 -3.861 12.879 1.00 0.00 H new ATOM 0 HG2 GLN A 51 3.683 -5.433 12.990 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.723 -6.636 13.726 1.00 0.00 H new ATOM 0 HE21 GLN A 51 2.350 -4.604 14.476 1.00 0.00 H new ATOM 0 HE22 GLN A 51 2.816 -4.111 16.107 1.00 0.00 H new ATOM 959 N LYS A 65 8.537 -2.122 8.233 1.00 0.00 N ATOM 960 CA LYS A 65 8.172 -2.206 6.824 1.00 0.00 C ATOM 961 C LYS A 65 6.789 -1.609 6.584 1.00 0.00 C ATOM 962 O LYS A 65 5.776 -2.184 6.985 1.00 0.00 O ATOM 963 CB LYS A 65 8.200 -3.662 6.354 1.00 0.00 C ATOM 964 CG LYS A 65 8.155 -3.814 4.843 1.00 0.00 C ATOM 965 CD LYS A 65 8.344 -5.263 4.424 1.00 0.00 C ATOM 966 CE LYS A 65 7.084 -6.081 4.662 1.00 0.00 C ATOM 967 NZ LYS A 65 6.020 -5.762 3.671 1.00 0.00 N ATOM 0 HA LYS A 65 8.900 -1.632 6.251 1.00 0.00 H new ATOM 0 HB2 LYS A 65 9.104 -4.140 6.732 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.353 -4.192 6.790 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.200 -3.447 4.467 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.933 -3.199 4.391 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.613 -5.306 3.368 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.173 -5.699 4.982 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.325 -7.143 4.607 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.712 -5.890 5.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.262 -6.472 3.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.629 -4.819 3.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.424 -5.772 2.713 1.00 0.00 H new ATOM 981 N VAL A 66 6.753 -0.455 5.927 1.00 0.00 N ATOM 982 CA VAL A 66 5.493 0.218 5.631 1.00 0.00 C ATOM 983 C VAL A 66 5.247 0.288 4.128 1.00 0.00 C ATOM 984 O VAL A 66 6.187 0.387 3.339 1.00 0.00 O ATOM 985 CB VAL A 66 5.469 1.645 6.211 1.00 0.00 C ATOM 986 CG1 VAL A 66 6.443 2.542 5.462 1.00 0.00 C ATOM 987 CG2 VAL A 66 4.060 2.216 6.162 1.00 0.00 C ATOM 0 H VAL A 66 7.582 0.034 5.589 1.00 0.00 H new ATOM 0 HA VAL A 66 4.703 -0.370 6.099 1.00 0.00 H new ATOM 0 HB VAL A 66 5.782 1.600 7.254 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.412 3.546 5.885 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.452 2.140 5.554 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.163 2.584 4.409 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.062 3.224 6.576 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.716 2.248 5.128 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.391 1.585 6.747 1.00 0.00 H new ATOM 997 N ILE A 67 3.978 0.235 3.739 1.00 0.00 N ATOM 998 CA ILE A 67 3.608 0.293 2.331 1.00 0.00 C ATOM 999 C ILE A 67 2.586 1.396 2.076 1.00 0.00 C ATOM 1000 O ILE A 67 1.384 1.197 2.256 1.00 0.00 O ATOM 1001 CB ILE A 67 3.030 -1.049 1.844 1.00 0.00 C ATOM 1002 CG1 ILE A 67 4.045 -2.173 2.057 1.00 0.00 C ATOM 1003 CG2 ILE A 67 2.636 -0.955 0.377 1.00 0.00 C ATOM 1004 CD1 ILE A 67 3.426 -3.553 2.066 1.00 0.00 C ATOM 0 H ILE A 67 3.189 0.152 4.380 1.00 0.00 H new ATOM 0 HA ILE A 67 4.520 0.510 1.774 1.00 0.00 H new ATOM 0 HB ILE A 67 2.137 -1.276 2.426 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.797 -2.126 1.269 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.563 -2.010 3.002 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.229 -1.911 0.048 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.882 -0.178 0.252 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.514 -0.709 -0.220 1.00 0.00 H new ATOM 0 HD11 ILE A 67 4.204 -4.300 2.222 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.694 -3.618 2.871 1.00 0.00 H new ATOM 0 HD13 ILE A 67 2.933 -3.737 1.112 1.00 0.00 H new ATOM 1016 N ARG A 68 3.071 2.560 1.655 1.00 0.00 N ATOM 1017 CA ARG A 68 2.200 3.694 1.375 1.00 0.00 C ATOM 1018 C ARG A 68 1.064 3.290 0.439 1.00 0.00 C ATOM 1019 O ARG A 68 1.295 2.689 -0.611 1.00 0.00 O ATOM 1020 CB ARG A 68 3.002 4.840 0.755 1.00 0.00 C ATOM 1021 CG ARG A 68 4.078 5.397 1.673 1.00 0.00 C ATOM 1022 CD ARG A 68 5.171 6.103 0.887 1.00 0.00 C ATOM 1023 NE ARG A 68 4.869 7.517 0.678 1.00 0.00 N ATOM 1024 CZ ARG A 68 5.610 8.324 -0.073 1.00 0.00 C ATOM 1025 NH1 ARG A 68 6.691 7.859 -0.684 1.00 0.00 N ATOM 1026 NH2 ARG A 68 5.270 9.598 -0.214 1.00 0.00 N ATOM 0 H ARG A 68 4.063 2.742 1.501 1.00 0.00 H new ATOM 0 HA ARG A 68 1.769 4.030 2.318 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.468 4.489 -0.166 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.319 5.644 0.481 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.629 6.094 2.380 1.00 0.00 H new ATOM 0 HG3 ARG A 68 4.514 4.587 2.257 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.118 6.009 1.419 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.298 5.613 -0.078 1.00 0.00 H new ATOM 0 HE ARG A 68 4.044 7.906 1.134 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.955 6.880 -0.578 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.258 8.481 -1.260 1.00 0.00 H new ATOM 0 HH21 ARG A 68 4.439 9.959 0.254 1.00 0.00 H new ATOM 0 HH22 ARG A 68 5.840 10.217 -0.791 1.00 0.00 H new ATOM 1040 N LEU A 69 -0.162 3.623 0.827 1.00 0.00 N ATOM 1041 CA LEU A 69 -1.334 3.294 0.024 1.00 0.00 C ATOM 1042 C LEU A 69 -1.369 4.126 -1.255 1.00 0.00 C ATOM 1043 O LEU A 69 -1.638 3.607 -2.338 1.00 0.00 O ATOM 1044 CB LEU A 69 -2.612 3.527 0.832 1.00 0.00 C ATOM 1045 CG LEU A 69 -2.801 2.636 2.060 1.00 0.00 C ATOM 1046 CD1 LEU A 69 -3.960 3.136 2.909 1.00 0.00 C ATOM 1047 CD2 LEU A 69 -3.029 1.191 1.641 1.00 0.00 C ATOM 0 H LEU A 69 -0.370 4.121 1.693 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.272 2.241 -0.251 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.628 4.567 1.157 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.467 3.386 0.171 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.892 2.680 2.660 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.080 2.490 3.778 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.756 4.155 3.239 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.876 3.123 2.318 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.161 0.572 2.528 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.922 1.129 1.019 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.167 0.836 1.076 1.00 0.00 H new ATOM 1059 N SER A 70 -1.093 5.419 -1.121 1.00 0.00 N ATOM 1060 CA SER A 70 -1.094 6.323 -2.265 1.00 0.00 C ATOM 1061 C SER A 70 -0.284 5.740 -3.419 1.00 0.00 C ATOM 1062 O SER A 70 -0.504 6.081 -4.581 1.00 0.00 O ATOM 1063 CB SER A 70 -0.525 7.686 -1.865 1.00 0.00 C ATOM 1064 OG SER A 70 -1.382 8.349 -0.951 1.00 0.00 O ATOM 0 H SER A 70 -0.866 5.864 -0.232 1.00 0.00 H new ATOM 0 HA SER A 70 -2.125 6.450 -2.595 1.00 0.00 H new ATOM 0 HB2 SER A 70 0.459 7.555 -1.416 1.00 0.00 H new ATOM 0 HB3 SER A 70 -0.390 8.302 -2.754 1.00 0.00 H new ATOM 0 HG SER A 70 -0.995 9.216 -0.710 1.00 0.00 H new ATOM 1070 N ASP A 71 0.654 4.859 -3.089 1.00 0.00 N ATOM 1071 CA ASP A 71 1.497 4.226 -4.097 1.00 0.00 C ATOM 1072 C ASP A 71 0.771 3.059 -4.758 1.00 0.00 C ATOM 1073 O ASP A 71 1.003 2.753 -5.928 1.00 0.00 O ATOM 1074 CB ASP A 71 2.803 3.740 -3.468 1.00 0.00 C ATOM 1075 CG ASP A 71 3.867 4.820 -3.436 1.00 0.00 C ATOM 1076 OD1 ASP A 71 3.703 5.791 -2.669 1.00 0.00 O ATOM 1077 OD2 ASP A 71 4.864 4.694 -4.178 1.00 0.00 O ATOM 0 H ASP A 71 0.850 4.567 -2.132 1.00 0.00 H new ATOM 0 HA ASP A 71 1.725 4.968 -4.862 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.608 3.396 -2.452 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.176 2.883 -4.029 1.00 0.00 H new ATOM 1082 N CYS A 72 -0.107 2.410 -4.001 1.00 0.00 N ATOM 1083 CA CYS A 72 -0.866 1.274 -4.512 1.00 0.00 C ATOM 1084 C CYS A 72 -1.407 1.566 -5.908 1.00 0.00 C ATOM 1085 O CYS A 72 -2.377 2.309 -6.067 1.00 0.00 O ATOM 1086 CB CYS A 72 -2.019 0.937 -3.566 1.00 0.00 C ATOM 1087 SG CYS A 72 -1.496 0.202 -1.998 1.00 0.00 S ATOM 0 H CYS A 72 -0.311 2.651 -3.031 1.00 0.00 H new ATOM 0 HA CYS A 72 -0.194 0.418 -4.573 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -2.583 1.847 -3.359 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -2.698 0.249 -4.069 1.00 0.00 H new ATOM 0 HG CYS A 72 -2.541 -0.046 -1.265 1.00 0.00 H new ATOM 1093 N LEU A 73 -0.773 0.979 -6.917 1.00 0.00 N ATOM 1094 CA LEU A 73 -1.190 1.177 -8.301 1.00 0.00 C ATOM 1095 C LEU A 73 -2.601 0.644 -8.527 1.00 0.00 C ATOM 1096 O LEU A 73 -3.411 1.274 -9.207 1.00 0.00 O ATOM 1097 CB LEU A 73 -0.213 0.483 -9.252 1.00 0.00 C ATOM 1098 CG LEU A 73 1.220 1.018 -9.250 1.00 0.00 C ATOM 1099 CD1 LEU A 73 2.170 0.000 -9.862 1.00 0.00 C ATOM 1100 CD2 LEU A 73 1.297 2.341 -9.998 1.00 0.00 C ATOM 0 H LEU A 73 0.031 0.362 -6.803 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.189 2.248 -8.505 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.184 -0.577 -9.001 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.607 0.560 -10.265 1.00 0.00 H new ATOM 0 HG LEU A 73 1.522 1.191 -8.217 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.185 0.398 -9.852 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.136 -0.923 -9.283 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.871 -0.205 -10.890 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.324 2.706 -9.986 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.976 2.195 -11.029 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.647 3.070 -9.515 1.00 0.00 H new ATOM 1112 N ARG A 74 -2.889 -0.517 -7.949 1.00 0.00 N ATOM 1113 CA ARG A 74 -4.203 -1.134 -8.086 1.00 0.00 C ATOM 1114 C ARG A 74 -4.359 -2.303 -7.118 1.00 0.00 C ATOM 1115 O ARG A 74 -3.379 -2.945 -6.741 1.00 0.00 O ATOM 1116 CB ARG A 74 -4.417 -1.615 -9.522 1.00 0.00 C ATOM 1117 CG ARG A 74 -5.853 -2.010 -9.825 1.00 0.00 C ATOM 1118 CD ARG A 74 -6.662 -0.825 -10.330 1.00 0.00 C ATOM 1119 NE ARG A 74 -6.194 -0.358 -11.632 1.00 0.00 N ATOM 1120 CZ ARG A 74 -6.661 0.730 -12.234 1.00 0.00 C ATOM 1121 NH1 ARG A 74 -7.604 1.459 -11.654 1.00 0.00 N ATOM 1122 NH2 ARG A 74 -6.185 1.090 -13.419 1.00 0.00 N ATOM 0 H ARG A 74 -2.230 -1.050 -7.381 1.00 0.00 H new ATOM 0 HA ARG A 74 -4.956 -0.383 -7.846 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -4.114 -0.825 -10.210 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.767 -2.469 -9.711 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -5.863 -2.804 -10.572 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -6.318 -2.413 -8.925 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -7.712 -1.108 -10.402 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -6.600 -0.010 -9.609 1.00 0.00 H new ATOM 0 HE ARG A 74 -5.469 -0.897 -12.105 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -7.973 1.185 -10.743 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -7.961 2.294 -12.118 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -5.460 0.531 -13.869 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -6.544 1.926 -13.880 1.00 0.00 H new ATOM 1136 N VAL A 75 -5.598 -2.574 -6.720 1.00 0.00 N ATOM 1137 CA VAL A 75 -5.882 -3.666 -5.797 1.00 0.00 C ATOM 1138 C VAL A 75 -7.086 -4.479 -6.261 1.00 0.00 C ATOM 1139 O VAL A 75 -7.803 -4.077 -7.177 1.00 0.00 O ATOM 1140 CB VAL A 75 -6.149 -3.142 -4.373 1.00 0.00 C ATOM 1141 CG1 VAL A 75 -5.091 -2.126 -3.971 1.00 0.00 C ATOM 1142 CG2 VAL A 75 -7.542 -2.539 -4.279 1.00 0.00 C ATOM 0 H VAL A 75 -6.421 -2.052 -7.022 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.999 -4.305 -5.782 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.095 -3.981 -3.680 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.296 -1.767 -2.962 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.108 -2.595 -3.996 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.110 -1.286 -4.666 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.713 -2.174 -3.266 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.628 -1.711 -4.982 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.285 -3.299 -4.521 1.00 0.00 H new ATOM 1152 N ALA A 76 -7.302 -5.624 -5.622 1.00 0.00 N ATOM 1153 CA ALA A 76 -8.420 -6.492 -5.967 1.00 0.00 C ATOM 1154 C ALA A 76 -8.695 -7.501 -4.857 1.00 0.00 C ATOM 1155 O ALA A 76 -7.995 -7.530 -3.846 1.00 0.00 O ATOM 1156 CB ALA A 76 -8.145 -7.211 -7.280 1.00 0.00 C ATOM 0 H ALA A 76 -6.717 -5.972 -4.862 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.307 -5.870 -6.085 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -8.989 -7.856 -7.525 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.006 -6.478 -8.074 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.243 -7.815 -7.182 1.00 0.00 H new ATOM 1162 N GLU A 77 -9.720 -8.325 -5.053 1.00 0.00 N ATOM 1163 CA GLU A 77 -10.087 -9.334 -4.067 1.00 0.00 C ATOM 1164 C GLU A 77 -9.944 -10.739 -4.646 1.00 0.00 C ATOM 1165 O GLU A 77 -10.326 -10.993 -5.788 1.00 0.00 O ATOM 1166 CB GLU A 77 -11.523 -9.112 -3.587 1.00 0.00 C ATOM 1167 CG GLU A 77 -11.757 -7.739 -2.981 1.00 0.00 C ATOM 1168 CD GLU A 77 -12.172 -6.708 -4.014 1.00 0.00 C ATOM 1169 OE1 GLU A 77 -13.365 -6.684 -4.382 1.00 0.00 O ATOM 1170 OE2 GLU A 77 -11.303 -5.926 -4.453 1.00 0.00 O ATOM 0 H GLU A 77 -10.310 -8.313 -5.885 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.409 -9.239 -3.219 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -12.203 -9.250 -4.427 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -11.772 -9.873 -2.848 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -12.529 -7.811 -2.215 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.846 -7.405 -2.485 1.00 0.00 H new ATOM 1177 N ALA A 78 -9.390 -11.648 -3.850 1.00 0.00 N ATOM 1178 CA ALA A 78 -9.198 -13.026 -4.282 1.00 0.00 C ATOM 1179 C ALA A 78 -9.635 -14.007 -3.199 1.00 0.00 C ATOM 1180 O ALA A 78 -9.935 -13.611 -2.074 1.00 0.00 O ATOM 1181 CB ALA A 78 -7.742 -13.264 -4.655 1.00 0.00 C ATOM 0 H ALA A 78 -9.066 -11.454 -2.902 1.00 0.00 H new ATOM 0 HA ALA A 78 -9.820 -13.195 -5.161 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.613 -14.298 -4.976 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.460 -12.594 -5.467 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.108 -13.071 -3.789 1.00 0.00 H new ATOM 1286 N ASP A 87 -11.559 -20.665 5.034 1.00 0.00 N ATOM 1287 CA ASP A 87 -12.075 -19.853 6.130 1.00 0.00 C ATOM 1288 C ASP A 87 -11.553 -18.422 6.040 1.00 0.00 C ATOM 1289 O ASP A 87 -11.768 -17.613 6.942 1.00 0.00 O ATOM 1290 CB ASP A 87 -11.685 -20.467 7.476 1.00 0.00 C ATOM 1291 CG ASP A 87 -11.967 -19.538 8.640 1.00 0.00 C ATOM 1292 OD1 ASP A 87 -13.113 -19.541 9.137 1.00 0.00 O ATOM 1293 OD2 ASP A 87 -11.043 -18.807 9.053 1.00 0.00 O ATOM 0 HA ASP A 87 -13.162 -19.830 6.051 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -12.231 -21.399 7.619 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -10.624 -20.718 7.464 1.00 0.00 H new ATOM 1298 N THR A 88 -10.864 -18.117 4.944 1.00 0.00 N ATOM 1299 CA THR A 88 -10.309 -16.786 4.736 1.00 0.00 C ATOM 1300 C THR A 88 -10.241 -16.444 3.252 1.00 0.00 C ATOM 1301 O THR A 88 -10.415 -17.312 2.397 1.00 0.00 O ATOM 1302 CB THR A 88 -8.900 -16.664 5.345 1.00 0.00 C ATOM 1303 OG1 THR A 88 -8.022 -17.624 4.746 1.00 0.00 O ATOM 1304 CG2 THR A 88 -8.940 -16.877 6.851 1.00 0.00 C ATOM 0 H THR A 88 -10.677 -18.775 4.187 1.00 0.00 H new ATOM 0 HA THR A 88 -10.975 -16.084 5.237 1.00 0.00 H new ATOM 0 HB THR A 88 -8.529 -15.659 5.146 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.128 -17.539 5.138 1.00 0.00 H new ATOM 0 HG21 THR A 88 -7.933 -16.786 7.258 1.00 0.00 H new ATOM 0 HG22 THR A 88 -9.585 -16.127 7.308 1.00 0.00 H new ATOM 0 HG23 THR A 88 -9.330 -17.871 7.068 1.00 0.00 H new ATOM 1312 N SER A 89 -9.986 -15.175 2.953 1.00 0.00 N ATOM 1313 CA SER A 89 -9.897 -14.718 1.571 1.00 0.00 C ATOM 1314 C SER A 89 -8.684 -13.814 1.375 1.00 0.00 C ATOM 1315 O SER A 89 -8.411 -12.937 2.194 1.00 0.00 O ATOM 1316 CB SER A 89 -11.173 -13.972 1.176 1.00 0.00 C ATOM 1317 OG SER A 89 -11.442 -14.119 -0.207 1.00 0.00 O ATOM 0 H SER A 89 -9.837 -14.444 3.649 1.00 0.00 H new ATOM 0 HA SER A 89 -9.783 -15.593 0.931 1.00 0.00 H new ATOM 0 HB2 SER A 89 -12.014 -14.352 1.756 1.00 0.00 H new ATOM 0 HB3 SER A 89 -11.070 -12.915 1.419 1.00 0.00 H new ATOM 0 HG SER A 89 -10.736 -13.680 -0.726 1.00 0.00 H new ATOM 1323 N ALA A 90 -7.961 -14.034 0.282 1.00 0.00 N ATOM 1324 CA ALA A 90 -6.778 -13.239 -0.024 1.00 0.00 C ATOM 1325 C ALA A 90 -7.105 -12.128 -1.016 1.00 0.00 C ATOM 1326 O ALA A 90 -7.921 -12.310 -1.921 1.00 0.00 O ATOM 1327 CB ALA A 90 -5.672 -14.129 -0.572 1.00 0.00 C ATOM 0 H ALA A 90 -8.174 -14.756 -0.406 1.00 0.00 H new ATOM 0 HA ALA A 90 -6.433 -12.775 0.900 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -4.795 -13.523 -0.796 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -5.411 -14.884 0.170 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.017 -14.619 -1.483 1.00 0.00 H new ATOM 1333 N PHE A 91 -6.466 -10.977 -0.840 1.00 0.00 N ATOM 1334 CA PHE A 91 -6.690 -9.835 -1.718 1.00 0.00 C ATOM 1335 C PHE A 91 -5.413 -9.464 -2.466 1.00 0.00 C ATOM 1336 O PHE A 91 -4.311 -9.819 -2.048 1.00 0.00 O ATOM 1337 CB PHE A 91 -7.189 -8.634 -0.912 1.00 0.00 C ATOM 1338 CG PHE A 91 -6.187 -8.122 0.083 1.00 0.00 C ATOM 1339 CD1 PHE A 91 -6.109 -8.671 1.353 1.00 0.00 C ATOM 1340 CD2 PHE A 91 -5.323 -7.092 -0.252 1.00 0.00 C ATOM 1341 CE1 PHE A 91 -5.188 -8.201 2.270 1.00 0.00 C ATOM 1342 CE2 PHE A 91 -4.400 -6.618 0.661 1.00 0.00 C ATOM 1343 CZ PHE A 91 -4.332 -7.174 1.923 1.00 0.00 C ATOM 0 H PHE A 91 -5.788 -10.810 -0.096 1.00 0.00 H new ATOM 0 HA PHE A 91 -7.449 -10.115 -2.448 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -7.451 -7.829 -1.599 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -8.102 -8.914 -0.386 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -6.775 -9.475 1.629 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -5.371 -6.654 -1.238 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -5.138 -8.636 3.257 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -3.733 -5.814 0.388 1.00 0.00 H new ATOM 0 HZ PHE A 91 -3.611 -6.806 2.638 1.00 0.00 H new ATOM 1353 N PHE A 92 -5.570 -8.749 -3.575 1.00 0.00 N ATOM 1354 CA PHE A 92 -4.430 -8.330 -4.383 1.00 0.00 C ATOM 1355 C PHE A 92 -3.940 -6.949 -3.958 1.00 0.00 C ATOM 1356 O PHE A 92 -4.700 -6.149 -3.411 1.00 0.00 O ATOM 1357 CB PHE A 92 -4.807 -8.317 -5.866 1.00 0.00 C ATOM 1358 CG PHE A 92 -4.714 -9.665 -6.520 1.00 0.00 C ATOM 1359 CD1 PHE A 92 -3.484 -10.192 -6.881 1.00 0.00 C ATOM 1360 CD2 PHE A 92 -5.856 -10.407 -6.774 1.00 0.00 C ATOM 1361 CE1 PHE A 92 -3.396 -11.432 -7.485 1.00 0.00 C ATOM 1362 CE2 PHE A 92 -5.775 -11.648 -7.377 1.00 0.00 C ATOM 1363 CZ PHE A 92 -4.543 -12.162 -7.732 1.00 0.00 C ATOM 0 H PHE A 92 -6.475 -8.447 -3.935 1.00 0.00 H new ATOM 0 HA PHE A 92 -3.623 -9.046 -4.227 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.825 -7.941 -5.971 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -4.154 -7.621 -6.392 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.584 -9.627 -6.688 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -6.822 -10.011 -6.497 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -2.432 -11.830 -7.764 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -6.674 -12.215 -7.570 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.476 -13.132 -8.202 1.00 0.00 H new ATOM 1373 N LEU A 93 -2.665 -6.677 -4.213 1.00 0.00 N ATOM 1374 CA LEU A 93 -2.072 -5.392 -3.857 1.00 0.00 C ATOM 1375 C LEU A 93 -0.878 -5.077 -4.753 1.00 0.00 C ATOM 1376 O LEU A 93 0.193 -5.665 -4.605 1.00 0.00 O ATOM 1377 CB LEU A 93 -1.636 -5.398 -2.391 1.00 0.00 C ATOM 1378 CG LEU A 93 -1.639 -4.042 -1.685 1.00 0.00 C ATOM 1379 CD1 LEU A 93 -1.215 -4.196 -0.232 1.00 0.00 C ATOM 1380 CD2 LEU A 93 -0.726 -3.063 -2.407 1.00 0.00 C ATOM 0 H LEU A 93 -2.022 -7.328 -4.664 1.00 0.00 H new ATOM 0 HA LEU A 93 -2.826 -4.619 -4.002 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.291 -6.073 -1.841 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.630 -5.813 -2.334 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.654 -3.645 -1.706 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -1.223 -3.221 0.255 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.908 -4.863 0.281 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.210 -4.615 -0.189 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.741 -2.103 -1.891 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.291 -3.454 -2.417 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.074 -2.929 -3.431 1.00 0.00 H new ATOM 1392 N GLU A 94 -1.070 -4.145 -5.681 1.00 0.00 N ATOM 1393 CA GLU A 94 -0.008 -3.752 -6.600 1.00 0.00 C ATOM 1394 C GLU A 94 0.549 -2.379 -6.231 1.00 0.00 C ATOM 1395 O GLU A 94 -0.203 -1.431 -6.005 1.00 0.00 O ATOM 1396 CB GLU A 94 -0.529 -3.733 -8.038 1.00 0.00 C ATOM 1397 CG GLU A 94 0.570 -3.825 -9.084 1.00 0.00 C ATOM 1398 CD GLU A 94 0.037 -3.726 -10.500 1.00 0.00 C ATOM 1399 OE1 GLU A 94 -0.800 -2.836 -10.758 1.00 0.00 O ATOM 1400 OE2 GLU A 94 0.456 -4.539 -11.351 1.00 0.00 O ATOM 0 H GLU A 94 -1.950 -3.648 -5.816 1.00 0.00 H new ATOM 0 HA GLU A 94 0.795 -4.485 -6.522 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -1.221 -4.564 -8.176 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.096 -2.816 -8.198 1.00 0.00 H new ATOM 0 HG2 GLU A 94 1.294 -3.028 -8.916 1.00 0.00 H new ATOM 0 HG3 GLU A 94 1.102 -4.769 -8.965 1.00 0.00 H new ATOM 1407 N THR A 95 1.873 -2.281 -6.172 1.00 0.00 N ATOM 1408 CA THR A 95 2.532 -1.027 -5.830 1.00 0.00 C ATOM 1409 C THR A 95 3.659 -0.714 -6.807 1.00 0.00 C ATOM 1410 O THR A 95 4.302 -1.618 -7.341 1.00 0.00 O ATOM 1411 CB THR A 95 3.104 -1.065 -4.400 1.00 0.00 C ATOM 1412 OG1 THR A 95 4.237 -1.939 -4.348 1.00 0.00 O ATOM 1413 CG2 THR A 95 2.050 -1.533 -3.408 1.00 0.00 C ATOM 0 H THR A 95 2.510 -3.056 -6.357 1.00 0.00 H new ATOM 0 HA THR A 95 1.775 -0.245 -5.890 1.00 0.00 H new ATOM 0 HB THR A 95 3.412 -0.055 -4.129 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.046 -2.753 -4.859 1.00 0.00 H new ATOM 0 HG21 THR A 95 2.477 -1.552 -2.405 1.00 0.00 H new ATOM 0 HG22 THR A 95 1.202 -0.849 -3.428 1.00 0.00 H new ATOM 0 HG23 THR A 95 1.715 -2.534 -3.678 1.00 0.00 H new ATOM 1421 N LYS A 96 3.895 0.573 -7.038 1.00 0.00 N ATOM 1422 CA LYS A 96 4.947 1.007 -7.950 1.00 0.00 C ATOM 1423 C LYS A 96 6.169 0.101 -7.842 1.00 0.00 C ATOM 1424 O LYS A 96 6.860 -0.144 -8.830 1.00 0.00 O ATOM 1425 CB LYS A 96 5.344 2.455 -7.652 1.00 0.00 C ATOM 1426 CG LYS A 96 4.198 3.442 -7.797 1.00 0.00 C ATOM 1427 CD LYS A 96 4.700 4.875 -7.850 1.00 0.00 C ATOM 1428 CE LYS A 96 5.288 5.209 -9.212 1.00 0.00 C ATOM 1429 NZ LYS A 96 6.746 4.910 -9.275 1.00 0.00 N ATOM 0 H LYS A 96 3.372 1.334 -6.606 1.00 0.00 H new ATOM 0 HA LYS A 96 4.560 0.945 -8.967 1.00 0.00 H new ATOM 0 HB2 LYS A 96 5.737 2.514 -6.637 1.00 0.00 H new ATOM 0 HB3 LYS A 96 6.151 2.747 -8.324 1.00 0.00 H new ATOM 0 HG2 LYS A 96 3.637 3.218 -8.704 1.00 0.00 H new ATOM 0 HG3 LYS A 96 3.510 3.327 -6.960 1.00 0.00 H new ATOM 0 HD2 LYS A 96 3.879 5.558 -7.629 1.00 0.00 H new ATOM 0 HD3 LYS A 96 5.456 5.026 -7.079 1.00 0.00 H new ATOM 0 HE2 LYS A 96 4.767 4.640 -9.982 1.00 0.00 H new ATOM 0 HE3 LYS A 96 5.124 6.264 -9.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 7.261 5.758 -9.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 7.083 4.626 -8.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 6.913 4.137 -9.950 1.00 0.00 H new ATOM 1443 N GLU A 97 6.429 -0.393 -6.635 1.00 0.00 N ATOM 1444 CA GLU A 97 7.568 -1.273 -6.400 1.00 0.00 C ATOM 1445 C GLU A 97 7.360 -2.625 -7.075 1.00 0.00 C ATOM 1446 O GLU A 97 8.123 -3.014 -7.959 1.00 0.00 O ATOM 1447 CB GLU A 97 7.788 -1.468 -4.898 1.00 0.00 C ATOM 1448 CG GLU A 97 9.008 -2.310 -4.566 1.00 0.00 C ATOM 1449 CD GLU A 97 10.245 -1.869 -5.325 1.00 0.00 C ATOM 1450 OE1 GLU A 97 10.893 -0.896 -4.887 1.00 0.00 O ATOM 1451 OE2 GLU A 97 10.564 -2.496 -6.356 1.00 0.00 O ATOM 0 H GLU A 97 5.867 -0.199 -5.806 1.00 0.00 H new ATOM 0 HA GLU A 97 8.452 -0.804 -6.832 1.00 0.00 H new ATOM 0 HB2 GLU A 97 7.891 -0.492 -4.425 1.00 0.00 H new ATOM 0 HB3 GLU A 97 6.904 -1.939 -4.468 1.00 0.00 H new ATOM 0 HG2 GLU A 97 9.204 -2.253 -3.495 1.00 0.00 H new ATOM 0 HG3 GLU A 97 8.798 -3.354 -4.797 1.00 0.00 H new ATOM 1458 N ARG A 98 6.321 -3.338 -6.651 1.00 0.00 N ATOM 1459 CA ARG A 98 6.013 -4.648 -7.212 1.00 0.00 C ATOM 1460 C ARG A 98 4.649 -5.137 -6.734 1.00 0.00 C ATOM 1461 O ARG A 98 3.938 -4.428 -6.021 1.00 0.00 O ATOM 1462 CB ARG A 98 7.094 -5.659 -6.826 1.00 0.00 C ATOM 1463 CG ARG A 98 7.003 -6.125 -5.382 1.00 0.00 C ATOM 1464 CD ARG A 98 8.157 -7.047 -5.021 1.00 0.00 C ATOM 1465 NE ARG A 98 7.896 -8.430 -5.410 1.00 0.00 N ATOM 1466 CZ ARG A 98 8.805 -9.396 -5.347 1.00 0.00 C ATOM 1467 NH1 ARG A 98 10.029 -9.132 -4.911 1.00 0.00 N ATOM 1468 NH2 ARG A 98 8.491 -10.631 -5.719 1.00 0.00 N ATOM 0 H ARG A 98 5.679 -3.030 -5.921 1.00 0.00 H new ATOM 0 HA ARG A 98 5.986 -4.553 -8.298 1.00 0.00 H new ATOM 0 HB2 ARG A 98 7.021 -6.525 -7.484 1.00 0.00 H new ATOM 0 HB3 ARG A 98 8.074 -5.212 -6.994 1.00 0.00 H new ATOM 0 HG2 ARG A 98 7.005 -5.260 -4.719 1.00 0.00 H new ATOM 0 HG3 ARG A 98 6.058 -6.645 -5.225 1.00 0.00 H new ATOM 0 HD2 ARG A 98 9.066 -6.698 -5.511 1.00 0.00 H new ATOM 0 HD3 ARG A 98 8.336 -7.000 -3.947 1.00 0.00 H new ATOM 0 HE ARG A 98 6.964 -8.667 -5.749 1.00 0.00 H new ATOM 0 HH11 ARG A 98 10.275 -8.185 -4.623 1.00 0.00 H new ATOM 0 HH12 ARG A 98 10.725 -9.876 -4.864 1.00 0.00 H new ATOM 0 HH21 ARG A 98 7.550 -10.839 -6.054 1.00 0.00 H new ATOM 0 HH22 ARG A 98 9.190 -11.372 -5.670 1.00 0.00 H new ATOM 1482 N LEU A 99 4.290 -6.353 -7.131 1.00 0.00 N ATOM 1483 CA LEU A 99 3.011 -6.938 -6.744 1.00 0.00 C ATOM 1484 C LEU A 99 3.155 -7.770 -5.474 1.00 0.00 C ATOM 1485 O LEU A 99 4.094 -8.555 -5.337 1.00 0.00 O ATOM 1486 CB LEU A 99 2.461 -7.806 -7.877 1.00 0.00 C ATOM 1487 CG LEU A 99 1.072 -8.404 -7.650 1.00 0.00 C ATOM 1488 CD1 LEU A 99 0.017 -7.308 -7.624 1.00 0.00 C ATOM 1489 CD2 LEU A 99 0.751 -9.430 -8.727 1.00 0.00 C ATOM 0 H LEU A 99 4.867 -6.953 -7.721 1.00 0.00 H new ATOM 0 HA LEU A 99 2.313 -6.125 -6.546 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.432 -7.206 -8.786 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.161 -8.622 -8.056 1.00 0.00 H new ATOM 0 HG LEU A 99 1.067 -8.908 -6.683 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -0.965 -7.752 -7.462 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.238 -6.610 -6.817 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.022 -6.776 -8.575 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.241 -9.845 -8.550 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.774 -8.950 -9.705 1.00 0.00 H new ATOM 0 HD23 LEU A 99 1.490 -10.231 -8.698 1.00 0.00 H new ATOM 1501 N TYR A 100 2.219 -7.595 -4.548 1.00 0.00 N ATOM 1502 CA TYR A 100 2.241 -8.329 -3.289 1.00 0.00 C ATOM 1503 C TYR A 100 0.936 -9.092 -3.080 1.00 0.00 C ATOM 1504 O TYR A 100 -0.151 -8.557 -3.299 1.00 0.00 O ATOM 1505 CB TYR A 100 2.479 -7.372 -2.120 1.00 0.00 C ATOM 1506 CG TYR A 100 3.841 -6.716 -2.141 1.00 0.00 C ATOM 1507 CD1 TYR A 100 4.976 -7.415 -1.750 1.00 0.00 C ATOM 1508 CD2 TYR A 100 3.993 -5.398 -2.554 1.00 0.00 C ATOM 1509 CE1 TYR A 100 6.223 -6.819 -1.767 1.00 0.00 C ATOM 1510 CE2 TYR A 100 5.235 -4.795 -2.576 1.00 0.00 C ATOM 1511 CZ TYR A 100 6.347 -5.509 -2.181 1.00 0.00 C ATOM 1512 OH TYR A 100 7.587 -4.913 -2.201 1.00 0.00 O ATOM 0 H TYR A 100 1.435 -6.950 -4.646 1.00 0.00 H new ATOM 0 HA TYR A 100 3.058 -9.049 -3.332 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.712 -6.598 -2.134 1.00 0.00 H new ATOM 0 HB3 TYR A 100 2.363 -7.919 -1.184 1.00 0.00 H new ATOM 0 HD1 TYR A 100 4.882 -8.441 -1.427 1.00 0.00 H new ATOM 0 HD2 TYR A 100 3.125 -4.835 -2.863 1.00 0.00 H new ATOM 0 HE1 TYR A 100 7.095 -7.376 -1.458 1.00 0.00 H new ATOM 0 HE2 TYR A 100 5.335 -3.770 -2.901 1.00 0.00 H new ATOM 0 HH TYR A 100 7.501 -3.990 -2.519 1.00 0.00 H new ATOM 1522 N LEU A 101 1.053 -10.344 -2.653 1.00 0.00 N ATOM 1523 CA LEU A 101 -0.116 -11.183 -2.413 1.00 0.00 C ATOM 1524 C LEU A 101 -0.254 -11.513 -0.930 1.00 0.00 C ATOM 1525 O LEU A 101 0.451 -12.377 -0.407 1.00 0.00 O ATOM 1526 CB LEU A 101 -0.019 -12.473 -3.227 1.00 0.00 C ATOM 1527 CG LEU A 101 -1.201 -13.436 -3.103 1.00 0.00 C ATOM 1528 CD1 LEU A 101 -2.465 -12.805 -3.667 1.00 0.00 C ATOM 1529 CD2 LEU A 101 -0.897 -14.748 -3.811 1.00 0.00 C ATOM 0 H LEU A 101 1.945 -10.801 -2.466 1.00 0.00 H new ATOM 0 HA LEU A 101 -1.000 -10.629 -2.727 1.00 0.00 H new ATOM 0 HB2 LEU A 101 0.099 -12.208 -4.278 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.887 -13.001 -2.928 1.00 0.00 H new ATOM 0 HG LEU A 101 -1.364 -13.646 -2.046 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -3.295 -13.505 -3.570 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -2.693 -11.893 -3.116 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.314 -12.565 -4.719 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -1.749 -15.421 -3.712 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.707 -14.556 -4.867 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.017 -15.209 -3.362 1.00 0.00 H new ATOM 1541 N LEU A 102 -1.167 -10.821 -0.257 1.00 0.00 N ATOM 1542 CA LEU A 102 -1.399 -11.042 1.166 1.00 0.00 C ATOM 1543 C LEU A 102 -2.756 -11.697 1.401 1.00 0.00 C ATOM 1544 O LEU A 102 -3.635 -11.653 0.541 1.00 0.00 O ATOM 1545 CB LEU A 102 -1.320 -9.718 1.928 1.00 0.00 C ATOM 1546 CG LEU A 102 0.043 -9.026 1.931 1.00 0.00 C ATOM 1547 CD1 LEU A 102 0.165 -8.081 0.746 1.00 0.00 C ATOM 1548 CD2 LEU A 102 0.257 -8.275 3.238 1.00 0.00 C ATOM 0 H LEU A 102 -1.759 -10.102 -0.674 1.00 0.00 H new ATOM 0 HA LEU A 102 -0.623 -11.713 1.535 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -2.052 -9.032 1.502 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.616 -9.898 2.961 1.00 0.00 H new ATOM 0 HG LEU A 102 0.816 -9.789 1.842 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.142 -7.598 0.765 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.057 -8.644 -0.181 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.616 -7.323 0.803 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.232 -7.788 3.223 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -0.522 -7.522 3.357 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.214 -8.976 4.072 1.00 0.00 H new ATOM 1560 N ALA A 103 -2.920 -12.302 2.573 1.00 0.00 N ATOM 1561 CA ALA A 103 -4.172 -12.963 2.923 1.00 0.00 C ATOM 1562 C ALA A 103 -4.877 -12.234 4.062 1.00 0.00 C ATOM 1563 O ALA A 103 -4.231 -11.666 4.942 1.00 0.00 O ATOM 1564 CB ALA A 103 -3.915 -14.414 3.301 1.00 0.00 C ATOM 0 H ALA A 103 -2.202 -12.348 3.296 1.00 0.00 H new ATOM 0 HA ALA A 103 -4.825 -12.937 2.050 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -4.858 -14.895 3.560 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.461 -14.935 2.458 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -3.241 -14.453 4.157 1.00 0.00 H new ATOM 1570 N ALA A 104 -6.206 -12.254 4.038 1.00 0.00 N ATOM 1571 CA ALA A 104 -6.998 -11.597 5.069 1.00 0.00 C ATOM 1572 C ALA A 104 -8.257 -12.396 5.388 1.00 0.00 C ATOM 1573 O ALA A 104 -8.773 -13.144 4.557 1.00 0.00 O ATOM 1574 CB ALA A 104 -7.364 -10.185 4.634 1.00 0.00 C ATOM 0 H ALA A 104 -6.756 -12.718 3.315 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.395 -11.542 5.975 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -7.956 -9.706 5.414 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -6.454 -9.609 4.464 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -7.945 -10.227 3.712 1.00 0.00 H new ATOM 1580 N PRO A 105 -8.764 -12.238 6.620 1.00 0.00 N ATOM 1581 CA PRO A 105 -9.968 -12.938 7.076 1.00 0.00 C ATOM 1582 C PRO A 105 -11.230 -12.431 6.386 1.00 0.00 C ATOM 1583 O PRO A 105 -11.619 -11.276 6.554 1.00 0.00 O ATOM 1584 CB PRO A 105 -10.015 -12.623 8.574 1.00 0.00 C ATOM 1585 CG PRO A 105 -9.273 -11.339 8.714 1.00 0.00 C ATOM 1586 CD PRO A 105 -8.200 -11.363 7.661 1.00 0.00 C ATOM 0 HA PRO A 105 -9.930 -14.004 6.851 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -11.042 -12.527 8.926 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -9.549 -13.415 9.160 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -9.938 -10.487 8.574 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -8.840 -11.245 9.710 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -7.991 -10.364 7.277 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.262 -11.757 8.052 1.00 0.00 H new ATOM 1594 N ALA A 106 -11.865 -13.303 5.609 1.00 0.00 N ATOM 1595 CA ALA A 106 -13.084 -12.944 4.896 1.00 0.00 C ATOM 1596 C ALA A 106 -13.958 -12.017 5.734 1.00 0.00 C ATOM 1597 O ALA A 106 -14.707 -11.202 5.197 1.00 0.00 O ATOM 1598 CB ALA A 106 -13.857 -14.196 4.510 1.00 0.00 C ATOM 0 H ALA A 106 -11.555 -14.263 5.458 1.00 0.00 H new ATOM 0 HA ALA A 106 -12.801 -12.411 3.989 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -14.765 -13.913 3.978 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -13.239 -14.821 3.866 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -14.121 -14.752 5.409 1.00 0.00 H new ATOM 1604 N ALA A 107 -13.857 -12.148 7.052 1.00 0.00 N ATOM 1605 CA ALA A 107 -14.637 -11.321 7.964 1.00 0.00 C ATOM 1606 C ALA A 107 -14.284 -9.846 7.807 1.00 0.00 C ATOM 1607 O ALA A 107 -15.166 -8.996 7.695 1.00 0.00 O ATOM 1608 CB ALA A 107 -14.417 -11.768 9.402 1.00 0.00 C ATOM 0 H ALA A 107 -13.242 -12.819 7.512 1.00 0.00 H new ATOM 0 HA ALA A 107 -15.691 -11.444 7.714 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -15.006 -11.141 10.072 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -14.727 -12.807 9.511 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -13.361 -11.676 9.654 1.00 0.00 H new ATOM 1614 N GLU A 108 -12.988 -9.551 7.799 1.00 0.00 N ATOM 1615 CA GLU A 108 -12.519 -8.177 7.656 1.00 0.00 C ATOM 1616 C GLU A 108 -12.353 -7.808 6.185 1.00 0.00 C ATOM 1617 O GLU A 108 -12.478 -6.643 5.808 1.00 0.00 O ATOM 1618 CB GLU A 108 -11.191 -7.989 8.393 1.00 0.00 C ATOM 1619 CG GLU A 108 -11.211 -8.500 9.824 1.00 0.00 C ATOM 1620 CD GLU A 108 -9.842 -8.468 10.474 1.00 0.00 C ATOM 1621 OE1 GLU A 108 -8.863 -8.875 9.814 1.00 0.00 O ATOM 1622 OE2 GLU A 108 -9.749 -8.037 11.642 1.00 0.00 O ATOM 0 H GLU A 108 -12.245 -10.244 7.890 1.00 0.00 H new ATOM 0 HA GLU A 108 -13.267 -7.518 8.095 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -10.404 -8.505 7.843 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -10.935 -6.930 8.398 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -11.902 -7.896 10.412 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -11.591 -9.522 9.836 1.00 0.00 H new ATOM 1629 N ARG A 109 -12.071 -8.810 5.358 1.00 0.00 N ATOM 1630 CA ARG A 109 -11.886 -8.592 3.929 1.00 0.00 C ATOM 1631 C ARG A 109 -12.819 -7.496 3.421 1.00 0.00 C ATOM 1632 O ARG A 109 -12.373 -6.411 3.048 1.00 0.00 O ATOM 1633 CB ARG A 109 -12.138 -9.888 3.156 1.00 0.00 C ATOM 1634 CG ARG A 109 -11.626 -9.854 1.726 1.00 0.00 C ATOM 1635 CD ARG A 109 -12.428 -10.780 0.825 1.00 0.00 C ATOM 1636 NE ARG A 109 -13.679 -10.168 0.385 1.00 0.00 N ATOM 1637 CZ ARG A 109 -14.588 -10.800 -0.348 1.00 0.00 C ATOM 1638 NH1 ARG A 109 -14.387 -12.057 -0.721 1.00 0.00 N ATOM 1639 NH2 ARG A 109 -15.702 -10.176 -0.709 1.00 0.00 N ATOM 0 H ARG A 109 -11.966 -9.781 5.654 1.00 0.00 H new ATOM 0 HA ARG A 109 -10.856 -8.274 3.766 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -11.662 -10.714 3.684 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -13.209 -10.092 3.145 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -11.680 -8.835 1.343 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -10.576 -10.146 1.707 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -11.829 -11.047 -0.046 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -12.645 -11.706 1.358 1.00 0.00 H new ATOM 0 HE ARG A 109 -13.865 -9.202 0.656 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -13.532 -12.541 -0.445 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -15.087 -12.540 -1.284 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -15.861 -9.210 -0.423 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -16.400 -10.663 -1.272 1.00 0.00 H new ATOM 1653 N GLY A 110 -14.116 -7.788 3.409 1.00 0.00 N ATOM 1654 CA GLY A 110 -15.090 -6.817 2.945 1.00 0.00 C ATOM 1655 C GLY A 110 -14.732 -5.399 3.343 1.00 0.00 C ATOM 1656 O GLY A 110 -14.933 -4.461 2.572 1.00 0.00 O ATOM 0 H GLY A 110 -14.509 -8.679 3.712 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -15.169 -6.877 1.860 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -16.070 -7.068 3.351 1.00 0.00 H new ATOM 1660 N ASP A 111 -14.201 -5.242 4.551 1.00 0.00 N ATOM 1661 CA ASP A 111 -13.814 -3.928 5.050 1.00 0.00 C ATOM 1662 C ASP A 111 -12.441 -3.527 4.519 1.00 0.00 C ATOM 1663 O ASP A 111 -12.301 -2.511 3.838 1.00 0.00 O ATOM 1664 CB ASP A 111 -13.804 -3.922 6.580 1.00 0.00 C ATOM 1665 CG ASP A 111 -15.165 -3.603 7.166 1.00 0.00 C ATOM 1666 OD1 ASP A 111 -16.151 -4.260 6.771 1.00 0.00 O ATOM 1667 OD2 ASP A 111 -15.244 -2.696 8.021 1.00 0.00 O ATOM 0 H ASP A 111 -14.029 -6.008 5.202 1.00 0.00 H new ATOM 0 HA ASP A 111 -14.547 -3.203 4.696 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -13.475 -4.896 6.942 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -13.079 -3.189 6.933 1.00 0.00 H new ATOM 1672 N TRP A 112 -11.433 -4.330 4.836 1.00 0.00 N ATOM 1673 CA TRP A 112 -10.070 -4.059 4.391 1.00 0.00 C ATOM 1674 C TRP A 112 -10.060 -3.525 2.963 1.00 0.00 C ATOM 1675 O TRP A 112 -9.780 -2.349 2.731 1.00 0.00 O ATOM 1676 CB TRP A 112 -9.220 -5.327 4.480 1.00 0.00 C ATOM 1677 CG TRP A 112 -8.576 -5.517 5.820 1.00 0.00 C ATOM 1678 CD1 TRP A 112 -8.789 -6.546 6.693 1.00 0.00 C ATOM 1679 CD2 TRP A 112 -7.617 -4.654 6.440 1.00 0.00 C ATOM 1680 NE1 TRP A 112 -8.020 -6.375 7.818 1.00 0.00 N ATOM 1681 CE2 TRP A 112 -7.291 -5.222 7.688 1.00 0.00 C ATOM 1682 CE3 TRP A 112 -7.000 -3.459 6.063 1.00 0.00 C ATOM 1683 CZ2 TRP A 112 -6.377 -4.633 8.557 1.00 0.00 C ATOM 1684 CZ3 TRP A 112 -6.094 -2.875 6.927 1.00 0.00 C ATOM 1685 CH2 TRP A 112 -5.788 -3.463 8.162 1.00 0.00 C ATOM 0 H TRP A 112 -11.533 -5.174 5.399 1.00 0.00 H new ATOM 0 HA TRP A 112 -9.645 -3.299 5.047 1.00 0.00 H new ATOM 0 HB2 TRP A 112 -9.846 -6.192 4.260 1.00 0.00 H new ATOM 0 HB3 TRP A 112 -8.445 -5.291 3.714 1.00 0.00 H new ATOM 0 HD1 TRP A 112 -9.463 -7.373 6.523 1.00 0.00 H new ATOM 0 HE1 TRP A 112 -7.995 -7.004 8.620 1.00 0.00 H new ATOM 0 HE3 TRP A 112 -7.227 -2.999 5.112 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 -6.141 -5.084 9.510 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 -5.613 -1.950 6.646 1.00 0.00 H new ATOM 0 HH2 TRP A 112 -5.073 -2.983 8.814 1.00 0.00 H new ATOM 1696 N VAL A 113 -10.368 -4.396 2.007 1.00 0.00 N ATOM 1697 CA VAL A 113 -10.396 -4.011 0.601 1.00 0.00 C ATOM 1698 C VAL A 113 -11.111 -2.679 0.410 1.00 0.00 C ATOM 1699 O VAL A 113 -10.620 -1.794 -0.290 1.00 0.00 O ATOM 1700 CB VAL A 113 -11.090 -5.083 -0.260 1.00 0.00 C ATOM 1701 CG1 VAL A 113 -11.222 -4.608 -1.700 1.00 0.00 C ATOM 1702 CG2 VAL A 113 -10.329 -6.397 -0.191 1.00 0.00 C ATOM 0 H VAL A 113 -10.602 -5.373 2.181 1.00 0.00 H new ATOM 0 HA VAL A 113 -9.359 -3.912 0.279 1.00 0.00 H new ATOM 0 HB VAL A 113 -12.092 -5.249 0.136 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -11.715 -5.378 -2.293 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -11.814 -3.694 -1.729 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -10.232 -4.412 -2.111 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -10.834 -7.143 -0.805 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -9.314 -6.250 -0.560 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -10.293 -6.743 0.842 1.00 0.00 H new ATOM 1712 N GLN A 114 -12.275 -2.543 1.039 1.00 0.00 N ATOM 1713 CA GLN A 114 -13.058 -1.317 0.937 1.00 0.00 C ATOM 1714 C GLN A 114 -12.249 -0.113 1.409 1.00 0.00 C ATOM 1715 O GLN A 114 -11.896 0.759 0.616 1.00 0.00 O ATOM 1716 CB GLN A 114 -14.342 -1.438 1.760 1.00 0.00 C ATOM 1717 CG GLN A 114 -15.105 -0.130 1.894 1.00 0.00 C ATOM 1718 CD GLN A 114 -16.235 -0.213 2.901 1.00 0.00 C ATOM 1719 OE1 GLN A 114 -16.845 -1.268 3.081 1.00 0.00 O ATOM 1720 NE2 GLN A 114 -16.520 0.901 3.565 1.00 0.00 N ATOM 0 H GLN A 114 -12.696 -3.265 1.623 1.00 0.00 H new ATOM 0 HA GLN A 114 -13.318 -1.168 -0.111 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -14.991 -2.182 1.298 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -14.092 -1.807 2.755 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -14.415 0.659 2.192 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -15.510 0.151 0.922 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -15.989 1.753 3.384 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -17.270 0.905 4.256 1.00 0.00 H new ATOM 1729 N ALA A 115 -11.960 -0.073 2.706 1.00 0.00 N ATOM 1730 CA ALA A 115 -11.191 1.023 3.283 1.00 0.00 C ATOM 1731 C ALA A 115 -9.982 1.361 2.417 1.00 0.00 C ATOM 1732 O ALA A 115 -9.845 2.487 1.938 1.00 0.00 O ATOM 1733 CB ALA A 115 -10.750 0.672 4.696 1.00 0.00 C ATOM 0 H ALA A 115 -12.247 -0.786 3.376 1.00 0.00 H new ATOM 0 HA ALA A 115 -11.833 1.903 3.323 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -10.177 1.499 5.114 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -11.628 0.488 5.316 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -10.129 -0.224 4.671 1.00 0.00 H new ATOM 1739 N ILE A 116 -9.107 0.380 2.223 1.00 0.00 N ATOM 1740 CA ILE A 116 -7.910 0.574 1.415 1.00 0.00 C ATOM 1741 C ILE A 116 -8.249 1.217 0.074 1.00 0.00 C ATOM 1742 O ILE A 116 -7.530 2.095 -0.405 1.00 0.00 O ATOM 1743 CB ILE A 116 -7.179 -0.758 1.162 1.00 0.00 C ATOM 1744 CG1 ILE A 116 -6.675 -1.346 2.481 1.00 0.00 C ATOM 1745 CG2 ILE A 116 -6.026 -0.553 0.191 1.00 0.00 C ATOM 1746 CD1 ILE A 116 -6.369 -2.826 2.405 1.00 0.00 C ATOM 0 H ILE A 116 -9.205 -0.557 2.614 1.00 0.00 H new ATOM 0 HA ILE A 116 -7.254 1.238 1.978 1.00 0.00 H new ATOM 0 HB ILE A 116 -7.881 -1.463 0.717 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -5.775 -0.812 2.787 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -7.424 -1.177 3.255 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -5.519 -1.503 0.022 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -6.411 -0.174 -0.756 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -5.321 0.165 0.610 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -6.017 -3.175 3.376 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -7.272 -3.371 2.130 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -5.597 -3.000 1.655 1.00 0.00 H new ATOM 1758 N CYS A 117 -9.350 0.777 -0.525 1.00 0.00 N ATOM 1759 CA CYS A 117 -9.786 1.310 -1.811 1.00 0.00 C ATOM 1760 C CYS A 117 -10.172 2.781 -1.686 1.00 0.00 C ATOM 1761 O CYS A 117 -10.000 3.560 -2.624 1.00 0.00 O ATOM 1762 CB CYS A 117 -10.970 0.503 -2.346 1.00 0.00 C ATOM 1763 SG CYS A 117 -11.665 1.146 -3.886 1.00 0.00 S ATOM 0 H CYS A 117 -9.957 0.053 -0.141 1.00 0.00 H new ATOM 0 HA CYS A 117 -8.955 1.229 -2.511 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -10.651 -0.527 -2.506 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -11.753 0.481 -1.588 1.00 0.00 H new ATOM 0 HG CYS A 117 -11.216 2.348 -4.096 1.00 0.00 H new ATOM 1769 N LEU A 118 -10.696 3.153 -0.524 1.00 0.00 N ATOM 1770 CA LEU A 118 -11.108 4.530 -0.277 1.00 0.00 C ATOM 1771 C LEU A 118 -9.896 5.436 -0.084 1.00 0.00 C ATOM 1772 O LEU A 118 -9.837 6.537 -0.632 1.00 0.00 O ATOM 1773 CB LEU A 118 -12.011 4.600 0.956 1.00 0.00 C ATOM 1774 CG LEU A 118 -13.507 4.402 0.704 1.00 0.00 C ATOM 1775 CD1 LEU A 118 -13.830 2.925 0.543 1.00 0.00 C ATOM 1776 CD2 LEU A 118 -14.323 5.007 1.837 1.00 0.00 C ATOM 0 H LEU A 118 -10.846 2.521 0.262 1.00 0.00 H new ATOM 0 HA LEU A 118 -11.664 4.878 -1.148 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -11.680 3.844 1.668 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -11.868 5.570 1.432 1.00 0.00 H new ATOM 0 HG LEU A 118 -13.771 4.914 -0.221 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -14.898 2.804 0.365 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -13.273 2.521 -0.302 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -13.551 2.390 1.451 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -15.385 4.857 1.641 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -14.055 4.523 2.777 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -14.114 6.075 1.906 1.00 0.00 H new ATOM 1788 N LEU A 119 -8.929 4.964 0.695 1.00 0.00 N ATOM 1789 CA LEU A 119 -7.716 5.729 0.958 1.00 0.00 C ATOM 1790 C LEU A 119 -6.764 5.668 -0.233 1.00 0.00 C ATOM 1791 O LEU A 119 -6.498 6.680 -0.880 1.00 0.00 O ATOM 1792 CB LEU A 119 -7.017 5.201 2.212 1.00 0.00 C ATOM 1793 CG LEU A 119 -7.566 5.702 3.548 1.00 0.00 C ATOM 1794 CD1 LEU A 119 -6.982 4.899 4.700 1.00 0.00 C ATOM 1795 CD2 LEU A 119 -7.270 7.184 3.724 1.00 0.00 C ATOM 0 H LEU A 119 -8.962 4.055 1.156 1.00 0.00 H new ATOM 0 HA LEU A 119 -8.000 6.769 1.119 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -7.074 4.113 2.204 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -5.961 5.466 2.154 1.00 0.00 H new ATOM 0 HG LEU A 119 -8.647 5.566 3.549 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -7.384 5.270 5.643 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -7.246 3.848 4.581 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -5.897 5.003 4.703 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -7.668 7.523 4.680 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -6.192 7.345 3.702 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -7.738 7.747 2.916 1.00 0.00 H new ATOM 1807 N ALA A 120 -6.257 4.473 -0.516 1.00 0.00 N ATOM 1808 CA ALA A 120 -5.338 4.278 -1.632 1.00 0.00 C ATOM 1809 C ALA A 120 -5.791 5.063 -2.858 1.00 0.00 C ATOM 1810 O ALA A 120 -4.982 5.701 -3.533 1.00 0.00 O ATOM 1811 CB ALA A 120 -5.218 2.798 -1.964 1.00 0.00 C ATOM 0 H ALA A 120 -6.466 3.625 0.011 1.00 0.00 H new ATOM 0 HA ALA A 120 -4.358 4.652 -1.335 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -4.529 2.667 -2.799 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -4.841 2.259 -1.094 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -6.198 2.406 -2.237 1.00 0.00 H new ATOM 1817 N PHE A 121 -7.088 5.012 -3.143 1.00 0.00 N ATOM 1818 CA PHE A 121 -7.647 5.717 -4.290 1.00 0.00 C ATOM 1819 C PHE A 121 -8.521 6.883 -3.838 1.00 0.00 C ATOM 1820 O PHE A 121 -9.593 7.121 -4.395 1.00 0.00 O ATOM 1821 CB PHE A 121 -8.466 4.757 -5.156 1.00 0.00 C ATOM 1822 CG PHE A 121 -7.793 3.434 -5.385 1.00 0.00 C ATOM 1823 CD1 PHE A 121 -7.644 2.528 -4.348 1.00 0.00 C ATOM 1824 CD2 PHE A 121 -7.308 3.097 -6.639 1.00 0.00 C ATOM 1825 CE1 PHE A 121 -7.025 1.310 -4.556 1.00 0.00 C ATOM 1826 CE2 PHE A 121 -6.689 1.880 -6.853 1.00 0.00 C ATOM 1827 CZ PHE A 121 -6.546 0.986 -5.810 1.00 0.00 C ATOM 0 H PHE A 121 -7.772 4.490 -2.595 1.00 0.00 H new ATOM 0 HA PHE A 121 -6.820 6.113 -4.880 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -9.432 4.587 -4.681 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -8.663 5.227 -6.120 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -8.016 2.776 -3.365 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -7.415 3.793 -7.458 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -6.916 0.612 -3.739 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -6.317 1.628 -7.835 1.00 0.00 H new ATOM 0 HZ PHE A 121 -6.061 0.035 -5.975 1.00 0.00 H new