USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=11 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+ 152:sc=-0.00929 (180deg=-1.21) USER MOD Single : A 15 GLN : amide:sc= -0.0478 K(o=-0.048,f=-1.5!) 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 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 CYS SG : rot 36:sc= -2.85! USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= -0.101 USER MOD Single : A 95 THR OG1 : rot -49:sc= 1.26 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 117 CYS SG : rot -23:sc= 0.029 USER MOD ----------------------------------------------------------------- ATOM 119 N VAL A 13 -6.913 4.012 12.384 1.00 0.00 N ATOM 120 CA VAL A 13 -8.365 3.919 12.302 1.00 0.00 C ATOM 121 C VAL A 13 -8.836 2.482 12.498 1.00 0.00 C ATOM 122 O VAL A 13 -9.721 2.212 13.310 1.00 0.00 O ATOM 123 CB VAL A 13 -8.886 4.438 10.949 1.00 0.00 C ATOM 124 CG1 VAL A 13 -10.404 4.353 10.892 1.00 0.00 C ATOM 125 CG2 VAL A 13 -8.415 5.864 10.708 1.00 0.00 C ATOM 0 HA VAL A 13 -8.767 4.542 13.101 1.00 0.00 H new ATOM 0 HB VAL A 13 -8.481 3.807 10.158 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -10.753 4.724 9.928 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -10.715 3.316 11.016 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -10.833 4.958 11.691 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.793 6.214 9.747 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.789 6.510 11.502 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.325 5.891 10.701 1.00 0.00 H new ATOM 135 N LYS A 14 -8.237 1.562 11.749 1.00 0.00 N ATOM 136 CA LYS A 14 -8.592 0.151 11.841 1.00 0.00 C ATOM 137 C LYS A 14 -7.348 -0.712 12.028 1.00 0.00 C ATOM 138 O LYS A 14 -6.409 -0.641 11.236 1.00 0.00 O ATOM 139 CB LYS A 14 -9.347 -0.289 10.584 1.00 0.00 C ATOM 140 CG LYS A 14 -9.766 -1.748 10.606 1.00 0.00 C ATOM 141 CD LYS A 14 -10.056 -2.266 9.207 1.00 0.00 C ATOM 142 CE LYS A 14 -10.478 -3.728 9.230 1.00 0.00 C ATOM 143 NZ LYS A 14 -11.951 -3.878 9.387 1.00 0.00 N ATOM 0 H LYS A 14 -7.503 1.769 11.071 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.237 0.020 12.710 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -10.234 0.333 10.467 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.717 -0.114 9.712 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -8.977 -2.347 11.061 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.653 -1.863 11.229 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -10.844 -1.666 8.752 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -9.169 -2.152 8.584 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -10.160 -4.212 8.307 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -9.972 -4.239 10.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -12.259 -4.767 8.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -12.192 -3.894 10.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -12.432 -3.078 8.929 1.00 0.00 H new ATOM 157 N GLN A 15 -7.351 -1.526 13.078 1.00 0.00 N ATOM 158 CA GLN A 15 -6.222 -2.403 13.368 1.00 0.00 C ATOM 159 C GLN A 15 -6.584 -3.861 13.103 1.00 0.00 C ATOM 160 O GLN A 15 -7.696 -4.298 13.395 1.00 0.00 O ATOM 161 CB GLN A 15 -5.775 -2.231 14.820 1.00 0.00 C ATOM 162 CG GLN A 15 -4.816 -1.071 15.029 1.00 0.00 C ATOM 163 CD GLN A 15 -4.128 -1.118 16.379 1.00 0.00 C ATOM 164 OE1 GLN A 15 -4.056 -2.169 17.016 1.00 0.00 O ATOM 165 NE2 GLN A 15 -3.618 0.025 16.824 1.00 0.00 N ATOM 0 H GLN A 15 -8.122 -1.597 13.742 1.00 0.00 H new ATOM 0 HA GLN A 15 -5.400 -2.126 12.708 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -6.654 -2.082 15.447 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -5.297 -3.151 15.156 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -4.063 -1.081 14.241 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -5.362 -0.132 14.936 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -3.700 0.873 16.263 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -3.144 0.055 17.727 1.00 0.00 H new ATOM 174 N GLY A 16 -5.636 -4.609 12.547 1.00 0.00 N ATOM 175 CA GLY A 16 -5.874 -6.010 12.252 1.00 0.00 C ATOM 176 C GLY A 16 -4.589 -6.783 12.031 1.00 0.00 C ATOM 177 O GLY A 16 -3.519 -6.361 12.471 1.00 0.00 O ATOM 0 H GLY A 16 -4.707 -4.270 12.296 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -6.429 -6.462 13.074 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.500 -6.090 11.363 1.00 0.00 H new ATOM 181 N PHE A 17 -4.693 -7.918 11.348 1.00 0.00 N ATOM 182 CA PHE A 17 -3.530 -8.753 11.072 1.00 0.00 C ATOM 183 C PHE A 17 -3.565 -9.277 9.639 1.00 0.00 C ATOM 184 O PHE A 17 -4.471 -10.021 9.260 1.00 0.00 O ATOM 185 CB PHE A 17 -3.472 -9.925 12.054 1.00 0.00 C ATOM 186 CG PHE A 17 -3.841 -9.547 13.461 1.00 0.00 C ATOM 187 CD1 PHE A 17 -3.044 -8.680 14.190 1.00 0.00 C ATOM 188 CD2 PHE A 17 -4.983 -10.060 14.053 1.00 0.00 C ATOM 189 CE1 PHE A 17 -3.380 -8.330 15.485 1.00 0.00 C ATOM 190 CE2 PHE A 17 -5.325 -9.713 15.347 1.00 0.00 C ATOM 191 CZ PHE A 17 -4.521 -8.848 16.064 1.00 0.00 C ATOM 0 H PHE A 17 -5.571 -8.281 10.976 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.637 -8.141 11.195 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.144 -10.711 11.709 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.465 -10.342 12.050 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.150 -8.273 13.742 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.613 -10.739 13.498 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.751 -7.652 16.043 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.220 -10.118 15.797 1.00 0.00 H new ATOM 0 HZ PHE A 17 -4.785 -8.578 17.076 1.00 0.00 H new ATOM 201 N LEU A 18 -2.573 -8.884 8.848 1.00 0.00 N ATOM 202 CA LEU A 18 -2.489 -9.312 7.456 1.00 0.00 C ATOM 203 C LEU A 18 -1.374 -10.336 7.268 1.00 0.00 C ATOM 204 O LEU A 18 -0.304 -10.221 7.867 1.00 0.00 O ATOM 205 CB LEU A 18 -2.250 -8.108 6.544 1.00 0.00 C ATOM 206 CG LEU A 18 -3.380 -7.079 6.481 1.00 0.00 C ATOM 207 CD1 LEU A 18 -2.871 -5.760 5.922 1.00 0.00 C ATOM 208 CD2 LEU A 18 -4.535 -7.606 5.641 1.00 0.00 C ATOM 0 H LEU A 18 -1.815 -8.270 9.147 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.436 -9.780 7.188 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.343 -7.602 6.874 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.062 -8.474 5.535 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.743 -6.905 7.494 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.689 -5.041 5.885 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.078 -5.375 6.563 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.480 -5.917 4.917 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.330 -6.861 5.607 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.185 -7.810 4.629 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.918 -8.525 6.085 1.00 0.00 H new ATOM 220 N TYR A 19 -1.630 -11.335 6.431 1.00 0.00 N ATOM 221 CA TYR A 19 -0.648 -12.379 6.164 1.00 0.00 C ATOM 222 C TYR A 19 0.053 -12.139 4.830 1.00 0.00 C ATOM 223 O TYR A 19 -0.578 -11.758 3.843 1.00 0.00 O ATOM 224 CB TYR A 19 -1.321 -13.752 6.159 1.00 0.00 C ATOM 225 CG TYR A 19 -2.310 -13.946 7.286 1.00 0.00 C ATOM 226 CD1 TYR A 19 -1.884 -14.025 8.606 1.00 0.00 C ATOM 227 CD2 TYR A 19 -3.672 -14.048 7.031 1.00 0.00 C ATOM 228 CE1 TYR A 19 -2.784 -14.202 9.638 1.00 0.00 C ATOM 229 CE2 TYR A 19 -4.580 -14.224 8.057 1.00 0.00 C ATOM 230 CZ TYR A 19 -4.131 -14.301 9.359 1.00 0.00 C ATOM 231 OH TYR A 19 -5.032 -14.476 10.385 1.00 0.00 O ATOM 0 H TYR A 19 -2.509 -11.444 5.926 1.00 0.00 H new ATOM 0 HA TYR A 19 0.099 -12.351 6.957 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.835 -13.892 5.208 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -0.554 -14.524 6.223 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -0.830 -13.947 8.829 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.027 -13.989 6.013 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.435 -14.263 10.658 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.635 -14.301 7.841 1.00 0.00 H new ATOM 0 HH TYR A 19 -5.940 -14.525 10.019 1.00 0.00 H new ATOM 241 N LEU A 20 1.362 -12.365 4.808 1.00 0.00 N ATOM 242 CA LEU A 20 2.151 -12.175 3.596 1.00 0.00 C ATOM 243 C LEU A 20 2.934 -13.438 3.252 1.00 0.00 C ATOM 244 O LEU A 20 3.594 -14.023 4.111 1.00 0.00 O ATOM 245 CB LEU A 20 3.111 -10.997 3.768 1.00 0.00 C ATOM 246 CG LEU A 20 4.140 -10.801 2.655 1.00 0.00 C ATOM 247 CD1 LEU A 20 3.450 -10.685 1.304 1.00 0.00 C ATOM 248 CD2 LEU A 20 4.993 -9.570 2.927 1.00 0.00 C ATOM 0 H LEU A 20 1.899 -12.680 5.616 1.00 0.00 H new ATOM 0 HA LEU A 20 1.466 -11.960 2.776 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.522 -10.084 3.855 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.644 -11.124 4.710 1.00 0.00 H new ATOM 0 HG LEU A 20 4.793 -11.673 2.633 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.198 -10.546 0.524 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.884 -11.595 1.105 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.773 -9.831 1.313 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.720 -9.446 2.124 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.354 -8.688 2.977 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.517 -9.693 3.875 1.00 0.00 H new ATOM 260 N GLN A 21 2.858 -13.851 1.991 1.00 0.00 N ATOM 261 CA GLN A 21 3.561 -15.044 1.535 1.00 0.00 C ATOM 262 C GLN A 21 5.027 -14.735 1.248 1.00 0.00 C ATOM 263 O GLN A 21 5.347 -13.723 0.626 1.00 0.00 O ATOM 264 CB GLN A 21 2.892 -15.607 0.280 1.00 0.00 C ATOM 265 CG GLN A 21 3.489 -16.923 -0.190 1.00 0.00 C ATOM 266 CD GLN A 21 2.848 -17.434 -1.465 1.00 0.00 C ATOM 267 OE1 GLN A 21 3.421 -17.322 -2.549 1.00 0.00 O ATOM 268 NE2 GLN A 21 1.652 -17.998 -1.342 1.00 0.00 N ATOM 0 H GLN A 21 2.317 -13.377 1.268 1.00 0.00 H new ATOM 0 HA GLN A 21 3.514 -15.789 2.329 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.830 -15.750 0.478 1.00 0.00 H new ATOM 0 HB3 GLN A 21 2.971 -14.874 -0.523 1.00 0.00 H new ATOM 0 HG2 GLN A 21 4.559 -16.794 -0.353 1.00 0.00 H new ATOM 0 HG3 GLN A 21 3.373 -17.671 0.595 1.00 0.00 H new ATOM 0 HE21 GLN A 21 1.214 -18.070 -0.424 1.00 0.00 H new ATOM 0 HE22 GLN A 21 1.171 -18.359 -2.166 1.00 0.00 H new ATOM 413 N TRP A 30 3.101 -19.119 4.628 1.00 0.00 N ATOM 414 CA TRP A 30 2.543 -17.834 5.035 1.00 0.00 C ATOM 415 C TRP A 30 3.100 -17.402 6.387 1.00 0.00 C ATOM 416 O TRP A 30 3.586 -18.227 7.160 1.00 0.00 O ATOM 417 CB TRP A 30 1.017 -17.915 5.100 1.00 0.00 C ATOM 418 CG TRP A 30 0.366 -17.953 3.751 1.00 0.00 C ATOM 419 CD1 TRP A 30 -0.148 -19.049 3.119 1.00 0.00 C ATOM 420 CD2 TRP A 30 0.160 -16.845 2.867 1.00 0.00 C ATOM 421 NE1 TRP A 30 -0.660 -18.690 1.895 1.00 0.00 N ATOM 422 CE2 TRP A 30 -0.484 -17.343 1.718 1.00 0.00 C ATOM 423 CE3 TRP A 30 0.455 -15.481 2.936 1.00 0.00 C ATOM 424 CZ2 TRP A 30 -0.836 -16.524 0.648 1.00 0.00 C ATOM 425 CZ3 TRP A 30 0.106 -14.669 1.874 1.00 0.00 C ATOM 426 CH2 TRP A 30 -0.534 -15.192 0.742 1.00 0.00 C ATOM 0 HA TRP A 30 2.829 -17.090 4.291 1.00 0.00 H new ATOM 0 HB2 TRP A 30 0.731 -18.806 5.659 1.00 0.00 H new ATOM 0 HB3 TRP A 30 0.638 -17.056 5.654 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -0.152 -20.051 3.522 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -1.099 -19.323 1.227 1.00 0.00 H new ATOM 0 HE3 TRP A 30 0.947 -15.069 3.804 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -1.330 -16.925 -0.225 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 0.330 -13.613 1.917 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -0.794 -14.531 -0.072 1.00 0.00 H new ATOM 437 N ARG A 31 3.025 -16.105 6.666 1.00 0.00 N ATOM 438 CA ARG A 31 3.523 -15.564 7.925 1.00 0.00 C ATOM 439 C ARG A 31 2.563 -14.519 8.485 1.00 0.00 C ATOM 440 O ARG A 31 1.787 -13.914 7.745 1.00 0.00 O ATOM 441 CB ARG A 31 4.908 -14.946 7.726 1.00 0.00 C ATOM 442 CG ARG A 31 6.040 -15.959 7.772 1.00 0.00 C ATOM 443 CD ARG A 31 7.386 -15.282 7.977 1.00 0.00 C ATOM 444 NE ARG A 31 8.454 -16.248 8.221 1.00 0.00 N ATOM 445 CZ ARG A 31 9.587 -15.949 8.845 1.00 0.00 C ATOM 446 NH1 ARG A 31 9.800 -14.717 9.287 1.00 0.00 N ATOM 447 NH2 ARG A 31 10.511 -16.883 9.029 1.00 0.00 N ATOM 0 H ARG A 31 2.624 -15.409 6.037 1.00 0.00 H new ATOM 0 HA ARG A 31 3.598 -16.383 8.640 1.00 0.00 H new ATOM 0 HB2 ARG A 31 4.932 -14.431 6.766 1.00 0.00 H new ATOM 0 HB3 ARG A 31 5.074 -14.193 8.496 1.00 0.00 H new ATOM 0 HG2 ARG A 31 5.862 -16.669 8.580 1.00 0.00 H new ATOM 0 HG3 ARG A 31 6.056 -16.530 6.844 1.00 0.00 H new ATOM 0 HD2 ARG A 31 7.630 -14.687 7.097 1.00 0.00 H new ATOM 0 HD3 ARG A 31 7.321 -14.594 8.820 1.00 0.00 H new ATOM 0 HE ARG A 31 8.322 -17.205 7.894 1.00 0.00 H new ATOM 0 HH11 ARG A 31 9.092 -13.996 9.148 1.00 0.00 H new ATOM 0 HH12 ARG A 31 10.672 -14.491 9.766 1.00 0.00 H new ATOM 0 HH21 ARG A 31 10.351 -17.832 8.691 1.00 0.00 H new ATOM 0 HH22 ARG A 31 11.381 -16.652 9.509 1.00 0.00 H new ATOM 461 N ARG A 32 2.621 -14.313 9.797 1.00 0.00 N ATOM 462 CA ARG A 32 1.756 -13.342 10.456 1.00 0.00 C ATOM 463 C ARG A 32 2.508 -12.044 10.733 1.00 0.00 C ATOM 464 O ARG A 32 3.717 -12.051 10.962 1.00 0.00 O ATOM 465 CB ARG A 32 1.212 -13.919 11.765 1.00 0.00 C ATOM 466 CG ARG A 32 0.131 -14.968 11.566 1.00 0.00 C ATOM 467 CD ARG A 32 0.722 -16.365 11.460 1.00 0.00 C ATOM 468 NE ARG A 32 1.663 -16.644 12.542 1.00 0.00 N ATOM 469 CZ ARG A 32 1.292 -17.046 13.752 1.00 0.00 C ATOM 470 NH1 ARG A 32 0.008 -17.215 14.034 1.00 0.00 N ATOM 471 NH2 ARG A 32 2.207 -17.280 14.684 1.00 0.00 N ATOM 0 H ARG A 32 3.257 -14.805 10.424 1.00 0.00 H new ATOM 0 HA ARG A 32 0.922 -13.123 9.789 1.00 0.00 H new ATOM 0 HB2 ARG A 32 2.035 -14.360 12.327 1.00 0.00 H new ATOM 0 HB3 ARG A 32 0.811 -13.107 12.371 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -0.571 -14.931 12.399 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -0.435 -14.742 10.662 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.082 -17.101 11.479 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.229 -16.472 10.501 1.00 0.00 H new ATOM 0 HE ARG A 32 2.659 -16.523 12.358 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -0.699 -17.036 13.321 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -0.273 -17.524 14.964 1.00 0.00 H new ATOM 0 HH21 ARG A 32 3.196 -17.151 14.471 1.00 0.00 H new ATOM 0 HH22 ARG A 32 1.921 -17.589 15.613 1.00 0.00 H new ATOM 485 N PHE A 33 1.783 -10.930 10.710 1.00 0.00 N ATOM 486 CA PHE A 33 2.381 -9.623 10.957 1.00 0.00 C ATOM 487 C PHE A 33 1.342 -8.642 11.493 1.00 0.00 C ATOM 488 O PHE A 33 0.144 -8.802 11.263 1.00 0.00 O ATOM 489 CB PHE A 33 3.003 -9.073 9.672 1.00 0.00 C ATOM 490 CG PHE A 33 3.909 -10.050 8.979 1.00 0.00 C ATOM 491 CD1 PHE A 33 5.217 -10.224 9.403 1.00 0.00 C ATOM 492 CD2 PHE A 33 3.454 -10.793 7.902 1.00 0.00 C ATOM 493 CE1 PHE A 33 6.053 -11.123 8.768 1.00 0.00 C ATOM 494 CE2 PHE A 33 4.285 -11.693 7.262 1.00 0.00 C ATOM 495 CZ PHE A 33 5.586 -11.857 7.695 1.00 0.00 C ATOM 0 H PHE A 33 0.781 -10.906 10.523 1.00 0.00 H new ATOM 0 HA PHE A 33 3.162 -9.744 11.708 1.00 0.00 H new ATOM 0 HB2 PHE A 33 2.206 -8.781 8.988 1.00 0.00 H new ATOM 0 HB3 PHE A 33 3.567 -8.171 9.908 1.00 0.00 H new ATOM 0 HD1 PHE A 33 5.587 -9.650 10.240 1.00 0.00 H new ATOM 0 HD2 PHE A 33 2.438 -10.667 7.558 1.00 0.00 H new ATOM 0 HE1 PHE A 33 7.069 -11.251 9.110 1.00 0.00 H new ATOM 0 HE2 PHE A 33 3.917 -12.267 6.424 1.00 0.00 H new ATOM 0 HZ PHE A 33 6.238 -12.558 7.195 1.00 0.00 H new ATOM 505 N GLY A 34 1.812 -7.626 12.211 1.00 0.00 N ATOM 506 CA GLY A 34 0.911 -6.634 12.769 1.00 0.00 C ATOM 507 C GLY A 34 0.618 -5.506 11.800 1.00 0.00 C ATOM 508 O GLY A 34 1.476 -4.662 11.543 1.00 0.00 O ATOM 0 H GLY A 34 2.799 -7.472 12.416 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.024 -7.116 13.054 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.347 -6.223 13.679 1.00 0.00 H new ATOM 512 N ALA A 35 -0.596 -5.492 11.260 1.00 0.00 N ATOM 513 CA ALA A 35 -0.999 -4.459 10.315 1.00 0.00 C ATOM 514 C ALA A 35 -1.829 -3.379 11.002 1.00 0.00 C ATOM 515 O ALA A 35 -2.633 -3.670 11.887 1.00 0.00 O ATOM 516 CB ALA A 35 -1.780 -5.074 9.163 1.00 0.00 C ATOM 0 H ALA A 35 -1.317 -6.185 11.461 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.097 -3.991 9.920 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.075 -4.291 8.464 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.155 -5.803 8.648 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.671 -5.569 9.550 1.00 0.00 H new ATOM 522 N SER A 36 -1.627 -2.132 10.589 1.00 0.00 N ATOM 523 CA SER A 36 -2.353 -1.008 11.168 1.00 0.00 C ATOM 524 C SER A 36 -2.755 -0.007 10.090 1.00 0.00 C ATOM 525 O SER A 36 -1.915 0.475 9.329 1.00 0.00 O ATOM 526 CB SER A 36 -1.498 -0.314 12.230 1.00 0.00 C ATOM 527 OG SER A 36 -1.149 -1.211 13.270 1.00 0.00 O ATOM 0 H SER A 36 -0.967 -1.875 9.856 1.00 0.00 H new ATOM 0 HA SER A 36 -3.258 -1.395 11.636 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.593 0.084 11.770 1.00 0.00 H new ATOM 0 HB3 SER A 36 -2.044 0.533 12.644 1.00 0.00 H new ATOM 0 HG SER A 36 -0.601 -0.744 13.935 1.00 0.00 H new ATOM 533 N LEU A 37 -4.046 0.302 10.030 1.00 0.00 N ATOM 534 CA LEU A 37 -4.562 1.246 9.044 1.00 0.00 C ATOM 535 C LEU A 37 -4.582 2.663 9.607 1.00 0.00 C ATOM 536 O LEU A 37 -5.217 2.928 10.628 1.00 0.00 O ATOM 537 CB LEU A 37 -5.970 0.838 8.607 1.00 0.00 C ATOM 538 CG LEU A 37 -6.431 1.367 7.249 1.00 0.00 C ATOM 539 CD1 LEU A 37 -5.484 0.910 6.150 1.00 0.00 C ATOM 540 CD2 LEU A 37 -7.853 0.912 6.954 1.00 0.00 C ATOM 0 H LEU A 37 -4.754 -0.087 10.652 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.900 1.228 8.178 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.021 -0.251 8.587 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.676 1.176 9.365 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.419 2.456 7.281 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.827 1.296 5.190 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.481 1.286 6.354 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.464 -0.179 6.117 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.165 1.298 5.983 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.891 -0.177 6.941 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -8.523 1.289 7.726 1.00 0.00 H new ATOM 552 N TYR A 38 -3.885 3.571 8.933 1.00 0.00 N ATOM 553 CA TYR A 38 -3.823 4.962 9.365 1.00 0.00 C ATOM 554 C TYR A 38 -4.471 5.883 8.335 1.00 0.00 C ATOM 555 O TYR A 38 -4.539 5.558 7.151 1.00 0.00 O ATOM 556 CB TYR A 38 -2.370 5.382 9.597 1.00 0.00 C ATOM 557 CG TYR A 38 -1.696 4.632 10.724 1.00 0.00 C ATOM 558 CD1 TYR A 38 -2.036 4.878 12.048 1.00 0.00 C ATOM 559 CD2 TYR A 38 -0.719 3.679 10.464 1.00 0.00 C ATOM 560 CE1 TYR A 38 -1.423 4.196 13.082 1.00 0.00 C ATOM 561 CE2 TYR A 38 -0.101 2.992 11.491 1.00 0.00 C ATOM 562 CZ TYR A 38 -0.456 3.254 12.798 1.00 0.00 C ATOM 563 OH TYR A 38 0.158 2.572 13.823 1.00 0.00 O ATOM 0 H TYR A 38 -3.355 3.369 8.085 1.00 0.00 H new ATOM 0 HA TYR A 38 -4.374 5.049 10.301 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -1.804 5.226 8.678 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -2.339 6.450 9.813 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.793 5.615 12.273 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -0.438 3.472 9.442 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.699 4.399 14.106 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.656 2.254 11.272 1.00 0.00 H new ATOM 0 HH TYR A 38 0.813 1.945 13.452 1.00 0.00 H new ATOM 573 N GLY A 39 -4.947 7.035 8.798 1.00 0.00 N ATOM 574 CA GLY A 39 -5.584 7.986 7.905 1.00 0.00 C ATOM 575 C GLY A 39 -7.058 8.167 8.207 1.00 0.00 C ATOM 576 O GLY A 39 -7.441 8.395 9.353 1.00 0.00 O ATOM 0 H GLY A 39 -4.903 7.327 9.774 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.079 8.949 7.984 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.466 7.648 6.875 1.00 0.00 H new ATOM 650 N ALA A 46 -2.450 8.350 4.185 1.00 0.00 N ATOM 651 CA ALA A 46 -2.726 6.961 4.532 1.00 0.00 C ATOM 652 C ALA A 46 -1.535 6.066 4.205 1.00 0.00 C ATOM 653 O ALA A 46 -0.830 6.290 3.221 1.00 0.00 O ATOM 654 CB ALA A 46 -3.971 6.473 3.806 1.00 0.00 C ATOM 0 HA ALA A 46 -2.902 6.909 5.606 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.165 5.435 4.074 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.824 7.088 4.093 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.817 6.547 2.729 1.00 0.00 H new ATOM 660 N ARG A 47 -1.317 5.053 5.037 1.00 0.00 N ATOM 661 CA ARG A 47 -0.210 4.125 4.837 1.00 0.00 C ATOM 662 C ARG A 47 -0.393 2.870 5.685 1.00 0.00 C ATOM 663 O ARG A 47 -0.971 2.920 6.771 1.00 0.00 O ATOM 664 CB ARG A 47 1.118 4.800 5.185 1.00 0.00 C ATOM 665 CG ARG A 47 1.311 5.033 6.675 1.00 0.00 C ATOM 666 CD ARG A 47 2.780 5.209 7.026 1.00 0.00 C ATOM 667 NE ARG A 47 2.965 6.072 8.190 1.00 0.00 N ATOM 668 CZ ARG A 47 2.848 7.394 8.150 1.00 0.00 C ATOM 669 NH1 ARG A 47 2.547 8.003 7.011 1.00 0.00 N ATOM 670 NH2 ARG A 47 3.031 8.111 9.252 1.00 0.00 N ATOM 0 H ARG A 47 -1.892 4.854 5.856 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.197 3.834 3.787 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.937 4.185 4.813 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.177 5.757 4.666 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.754 5.919 6.981 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.901 4.191 7.232 1.00 0.00 H new ATOM 0 HD2 ARG A 47 3.225 4.234 7.223 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.308 5.633 6.172 1.00 0.00 H new ATOM 0 HE ARG A 47 3.197 5.635 9.082 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.405 7.456 6.162 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.458 9.019 6.984 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.262 7.646 10.130 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.941 9.127 9.221 1.00 0.00 H new ATOM 684 N LEU A 48 0.103 1.745 5.181 1.00 0.00 N ATOM 685 CA LEU A 48 -0.006 0.475 5.891 1.00 0.00 C ATOM 686 C LEU A 48 1.309 0.122 6.580 1.00 0.00 C ATOM 687 O LEU A 48 2.335 -0.054 5.924 1.00 0.00 O ATOM 688 CB LEU A 48 -0.404 -0.641 4.924 1.00 0.00 C ATOM 689 CG LEU A 48 -1.222 -1.786 5.521 1.00 0.00 C ATOM 690 CD1 LEU A 48 -2.558 -1.276 6.038 1.00 0.00 C ATOM 691 CD2 LEU A 48 -1.431 -2.886 4.490 1.00 0.00 C ATOM 0 H LEU A 48 0.584 1.686 4.284 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.778 0.579 6.653 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.976 -0.200 4.107 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.504 -1.058 4.489 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.667 -2.204 6.361 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.126 -2.106 6.459 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.387 -0.525 6.809 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.120 -0.831 5.217 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.015 -3.693 4.932 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.964 -2.482 3.629 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.464 -3.272 4.169 1.00 0.00 H new ATOM 703 N GLU A 49 1.268 0.019 7.904 1.00 0.00 N ATOM 704 CA GLU A 49 2.457 -0.314 8.680 1.00 0.00 C ATOM 705 C GLU A 49 2.490 -1.804 9.011 1.00 0.00 C ATOM 706 O GLU A 49 1.483 -2.383 9.421 1.00 0.00 O ATOM 707 CB GLU A 49 2.498 0.507 9.971 1.00 0.00 C ATOM 708 CG GLU A 49 2.935 1.947 9.762 1.00 0.00 C ATOM 709 CD GLU A 49 4.429 2.077 9.535 1.00 0.00 C ATOM 710 OE1 GLU A 49 5.184 1.238 10.070 1.00 0.00 O ATOM 711 OE2 GLU A 49 4.842 3.016 8.823 1.00 0.00 O ATOM 0 H GLU A 49 0.426 0.161 8.462 1.00 0.00 H new ATOM 0 HA GLU A 49 3.332 -0.073 8.077 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.509 0.499 10.428 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.179 0.028 10.675 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.404 2.363 8.906 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.651 2.539 10.632 1.00 0.00 H new ATOM 718 N LEU A 50 3.654 -2.418 8.831 1.00 0.00 N ATOM 719 CA LEU A 50 3.820 -3.840 9.109 1.00 0.00 C ATOM 720 C LEU A 50 4.900 -4.066 10.163 1.00 0.00 C ATOM 721 O LEU A 50 5.955 -3.434 10.129 1.00 0.00 O ATOM 722 CB LEU A 50 4.177 -4.593 7.827 1.00 0.00 C ATOM 723 CG LEU A 50 3.108 -4.601 6.733 1.00 0.00 C ATOM 724 CD1 LEU A 50 3.646 -5.249 5.466 1.00 0.00 C ATOM 725 CD2 LEU A 50 1.859 -5.324 7.215 1.00 0.00 C ATOM 0 H LEU A 50 4.497 -1.953 8.494 1.00 0.00 H new ATOM 0 HA LEU A 50 2.875 -4.222 9.495 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.087 -4.157 7.415 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.408 -5.626 8.088 1.00 0.00 H new ATOM 0 HG LEU A 50 2.841 -3.569 6.504 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.872 -5.246 4.699 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.511 -4.690 5.111 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.941 -6.276 5.680 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.109 -5.320 6.424 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.111 -6.353 7.472 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.462 -4.817 8.095 1.00 0.00 H new ATOM 737 N GLN A 51 4.629 -4.974 11.095 1.00 0.00 N ATOM 738 CA GLN A 51 5.578 -5.284 12.157 1.00 0.00 C ATOM 739 C GLN A 51 5.716 -6.792 12.341 1.00 0.00 C ATOM 740 O GLN A 51 4.819 -7.554 11.982 1.00 0.00 O ATOM 741 CB GLN A 51 5.136 -4.637 13.471 1.00 0.00 C ATOM 742 CG GLN A 51 3.863 -5.235 14.046 1.00 0.00 C ATOM 743 CD GLN A 51 3.377 -4.499 15.278 1.00 0.00 C ATOM 744 OE1 GLN A 51 2.343 -3.830 15.249 1.00 0.00 O ATOM 745 NE2 GLN A 51 4.122 -4.617 16.371 1.00 0.00 N ATOM 0 H GLN A 51 3.761 -5.507 11.136 1.00 0.00 H new ATOM 0 HA GLN A 51 6.549 -4.881 11.870 1.00 0.00 H new ATOM 0 HB2 GLN A 51 5.937 -4.737 14.203 1.00 0.00 H new ATOM 0 HB3 GLN A 51 4.985 -3.570 13.308 1.00 0.00 H new ATOM 0 HG2 GLN A 51 3.082 -5.218 13.286 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.039 -6.281 14.298 1.00 0.00 H new ATOM 0 HE21 GLN A 51 4.971 -5.181 16.351 1.00 0.00 H new ATOM 0 HE22 GLN A 51 3.845 -4.143 17.231 1.00 0.00 H new ATOM 959 N LYS A 65 8.448 -2.242 8.237 1.00 0.00 N ATOM 960 CA LYS A 65 8.061 -2.293 6.832 1.00 0.00 C ATOM 961 C LYS A 65 6.722 -1.598 6.611 1.00 0.00 C ATOM 962 O LYS A 65 5.707 -1.984 7.191 1.00 0.00 O ATOM 963 CB LYS A 65 7.979 -3.746 6.357 1.00 0.00 C ATOM 964 CG LYS A 65 9.294 -4.287 5.825 1.00 0.00 C ATOM 965 CD LYS A 65 9.071 -5.372 4.785 1.00 0.00 C ATOM 966 CE LYS A 65 8.777 -6.715 5.436 1.00 0.00 C ATOM 967 NZ LYS A 65 10.024 -7.407 5.867 1.00 0.00 N ATOM 0 HA LYS A 65 8.821 -1.770 6.252 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.647 -4.372 7.185 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.222 -3.822 5.576 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.872 -3.474 5.386 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.884 -4.688 6.649 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.241 -5.091 4.137 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.954 -5.459 4.152 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.127 -6.566 6.299 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.234 -7.348 4.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.781 -8.318 6.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.633 -7.572 5.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.529 -6.814 6.556 1.00 0.00 H new ATOM 981 N VAL A 66 6.725 -0.572 5.766 1.00 0.00 N ATOM 982 CA VAL A 66 5.509 0.175 5.466 1.00 0.00 C ATOM 983 C VAL A 66 5.244 0.214 3.965 1.00 0.00 C ATOM 984 O VAL A 66 6.172 0.318 3.163 1.00 0.00 O ATOM 985 CB VAL A 66 5.591 1.618 5.999 1.00 0.00 C ATOM 986 CG1 VAL A 66 6.644 2.409 5.238 1.00 0.00 C ATOM 987 CG2 VAL A 66 4.233 2.297 5.908 1.00 0.00 C ATOM 0 H VAL A 66 7.556 -0.239 5.277 1.00 0.00 H new ATOM 0 HA VAL A 66 4.689 -0.343 5.964 1.00 0.00 H new ATOM 0 HB VAL A 66 5.885 1.584 7.048 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.688 3.426 5.628 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.616 1.931 5.360 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.384 2.437 4.180 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.309 3.316 6.289 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.908 2.322 4.868 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.508 1.741 6.502 1.00 0.00 H new ATOM 997 N ILE A 67 3.971 0.129 3.593 1.00 0.00 N ATOM 998 CA ILE A 67 3.584 0.156 2.188 1.00 0.00 C ATOM 999 C ILE A 67 2.543 1.239 1.925 1.00 0.00 C ATOM 1000 O ILE A 67 1.353 1.043 2.174 1.00 0.00 O ATOM 1001 CB ILE A 67 3.021 -1.203 1.733 1.00 0.00 C ATOM 1002 CG1 ILE A 67 4.066 -2.304 1.927 1.00 0.00 C ATOM 1003 CG2 ILE A 67 2.580 -1.134 0.278 1.00 0.00 C ATOM 1004 CD1 ILE A 67 3.473 -3.693 2.007 1.00 0.00 C ATOM 0 H ILE A 67 3.191 0.041 4.244 1.00 0.00 H new ATOM 0 HA ILE A 67 4.486 0.376 1.617 1.00 0.00 H new ATOM 0 HB ILE A 67 2.151 -1.442 2.345 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.777 -2.268 1.102 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.627 -2.104 2.840 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.184 -2.102 -0.029 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.806 -0.375 0.168 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.433 -0.876 -0.349 1.00 0.00 H new ATOM 0 HD11 ILE A 67 4.271 -4.422 2.145 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.784 -3.746 2.850 1.00 0.00 H new ATOM 0 HD13 ILE A 67 2.936 -3.913 1.084 1.00 0.00 H new ATOM 1016 N ARG A 68 2.998 2.380 1.419 1.00 0.00 N ATOM 1017 CA ARG A 68 2.106 3.494 1.122 1.00 0.00 C ATOM 1018 C ARG A 68 0.890 3.020 0.330 1.00 0.00 C ATOM 1019 O ARG A 68 1.004 2.172 -0.555 1.00 0.00 O ATOM 1020 CB ARG A 68 2.850 4.575 0.336 1.00 0.00 C ATOM 1021 CG ARG A 68 4.061 5.134 1.066 1.00 0.00 C ATOM 1022 CD ARG A 68 5.127 5.611 0.092 1.00 0.00 C ATOM 1023 NE ARG A 68 4.938 7.009 -0.285 1.00 0.00 N ATOM 1024 CZ ARG A 68 5.876 7.746 -0.869 1.00 0.00 C ATOM 1025 NH1 ARG A 68 7.063 7.220 -1.141 1.00 0.00 N ATOM 1026 NH2 ARG A 68 5.629 9.011 -1.182 1.00 0.00 N ATOM 0 H ARG A 68 3.980 2.557 1.206 1.00 0.00 H new ATOM 0 HA ARG A 68 1.762 3.914 2.067 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.172 4.161 -0.620 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.161 5.390 0.115 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.752 5.962 1.704 1.00 0.00 H new ATOM 0 HG3 ARG A 68 4.479 4.368 1.719 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.112 5.487 0.543 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.106 4.988 -0.802 1.00 0.00 H new ATOM 0 HE ARG A 68 4.036 7.443 -0.089 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.257 6.248 -0.902 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.782 7.788 -1.590 1.00 0.00 H new ATOM 0 HH21 ARG A 68 4.718 9.419 -0.974 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.350 9.576 -1.630 1.00 0.00 H new ATOM 1040 N LEU A 69 -0.273 3.574 0.655 1.00 0.00 N ATOM 1041 CA LEU A 69 -1.511 3.208 -0.025 1.00 0.00 C ATOM 1042 C LEU A 69 -1.711 4.050 -1.281 1.00 0.00 C ATOM 1043 O LEU A 69 -2.421 3.648 -2.203 1.00 0.00 O ATOM 1044 CB LEU A 69 -2.704 3.384 0.916 1.00 0.00 C ATOM 1045 CG LEU A 69 -2.874 2.310 1.992 1.00 0.00 C ATOM 1046 CD1 LEU A 69 -4.061 2.634 2.886 1.00 0.00 C ATOM 1047 CD2 LEU A 69 -3.043 0.939 1.354 1.00 0.00 C ATOM 0 H LEU A 69 -0.385 4.278 1.385 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.440 2.161 -0.319 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.613 4.352 1.408 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.613 3.416 0.316 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.975 2.294 2.608 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.167 1.859 3.645 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.900 3.597 3.370 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.969 2.678 2.284 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.163 0.187 2.134 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.925 0.942 0.714 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.162 0.705 0.756 1.00 0.00 H new ATOM 1059 N SER A 70 -1.079 5.219 -1.311 1.00 0.00 N ATOM 1060 CA SER A 70 -1.188 6.118 -2.454 1.00 0.00 C ATOM 1061 C SER A 70 -0.284 5.660 -3.594 1.00 0.00 C ATOM 1062 O SER A 70 -0.307 6.230 -4.686 1.00 0.00 O ATOM 1063 CB SER A 70 -0.826 7.546 -2.042 1.00 0.00 C ATOM 1064 OG SER A 70 0.465 7.597 -1.459 1.00 0.00 O ATOM 0 H SER A 70 -0.486 5.566 -0.557 1.00 0.00 H new ATOM 0 HA SER A 70 -2.220 6.099 -2.803 1.00 0.00 H new ATOM 0 HB2 SER A 70 -0.861 8.199 -2.914 1.00 0.00 H new ATOM 0 HB3 SER A 70 -1.564 7.921 -1.333 1.00 0.00 H new ATOM 0 HG SER A 70 0.673 8.521 -1.206 1.00 0.00 H new ATOM 1070 N ASP A 71 0.511 4.629 -3.333 1.00 0.00 N ATOM 1071 CA ASP A 71 1.422 4.092 -4.337 1.00 0.00 C ATOM 1072 C ASP A 71 0.844 2.836 -4.980 1.00 0.00 C ATOM 1073 O ASP A 71 1.240 2.453 -6.082 1.00 0.00 O ATOM 1074 CB ASP A 71 2.781 3.779 -3.707 1.00 0.00 C ATOM 1075 CG ASP A 71 2.829 2.393 -3.095 1.00 0.00 C ATOM 1076 OD1 ASP A 71 2.632 1.409 -3.839 1.00 0.00 O ATOM 1077 OD2 ASP A 71 3.063 2.291 -1.873 1.00 0.00 O ATOM 0 H ASP A 71 0.543 4.148 -2.434 1.00 0.00 H new ATOM 0 HA ASP A 71 1.554 4.846 -5.113 1.00 0.00 H new ATOM 0 HB2 ASP A 71 3.559 3.865 -4.466 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.002 4.520 -2.939 1.00 0.00 H new ATOM 1082 N CYS A 72 -0.092 2.200 -4.286 1.00 0.00 N ATOM 1083 CA CYS A 72 -0.724 0.985 -4.789 1.00 0.00 C ATOM 1084 C CYS A 72 -1.312 1.213 -6.178 1.00 0.00 C ATOM 1085 O CYS A 72 -2.382 1.806 -6.321 1.00 0.00 O ATOM 1086 CB CYS A 72 -1.819 0.519 -3.828 1.00 0.00 C ATOM 1087 SG CYS A 72 -1.244 0.227 -2.139 1.00 0.00 S ATOM 0 H CYS A 72 -0.431 2.505 -3.373 1.00 0.00 H new ATOM 0 HA CYS A 72 0.040 0.211 -4.860 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -2.611 1.268 -3.806 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -2.259 -0.400 -4.214 1.00 0.00 H new ATOM 0 HG CYS A 72 -0.334 1.104 -1.833 1.00 0.00 H new ATOM 1093 N LEU A 73 -0.606 0.739 -7.198 1.00 0.00 N ATOM 1094 CA LEU A 73 -1.057 0.892 -8.577 1.00 0.00 C ATOM 1095 C LEU A 73 -2.520 0.485 -8.720 1.00 0.00 C ATOM 1096 O LEU A 73 -3.319 1.205 -9.320 1.00 0.00 O ATOM 1097 CB LEU A 73 -0.188 0.052 -9.515 1.00 0.00 C ATOM 1098 CG LEU A 73 1.248 0.538 -9.715 1.00 0.00 C ATOM 1099 CD1 LEU A 73 2.039 -0.461 -10.545 1.00 0.00 C ATOM 1100 CD2 LEU A 73 1.260 1.910 -10.373 1.00 0.00 C ATOM 0 H LEU A 73 0.281 0.246 -7.097 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.963 1.943 -8.849 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.155 -0.968 -9.131 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.675 0.010 -10.489 1.00 0.00 H new ATOM 0 HG LEU A 73 1.722 0.622 -8.737 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.058 -0.098 -10.677 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.060 -1.423 -10.034 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.567 -0.578 -11.520 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.290 2.240 -10.508 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.768 1.852 -11.344 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.731 2.622 -9.740 1.00 0.00 H new ATOM 1112 N ARG A 74 -2.864 -0.672 -8.164 1.00 0.00 N ATOM 1113 CA ARG A 74 -4.231 -1.174 -8.228 1.00 0.00 C ATOM 1114 C ARG A 74 -4.415 -2.370 -7.299 1.00 0.00 C ATOM 1115 O ARG A 74 -3.459 -3.079 -6.985 1.00 0.00 O ATOM 1116 CB ARG A 74 -4.584 -1.570 -9.663 1.00 0.00 C ATOM 1117 CG ARG A 74 -6.079 -1.694 -9.911 1.00 0.00 C ATOM 1118 CD ARG A 74 -6.371 -2.198 -11.315 1.00 0.00 C ATOM 1119 NE ARG A 74 -6.462 -1.107 -12.281 1.00 0.00 N ATOM 1120 CZ ARG A 74 -7.105 -1.202 -13.439 1.00 0.00 C ATOM 1121 NH1 ARG A 74 -7.711 -2.332 -13.774 1.00 0.00 N ATOM 1122 NH2 ARG A 74 -7.144 -0.164 -14.265 1.00 0.00 N ATOM 0 H ARG A 74 -2.215 -1.279 -7.664 1.00 0.00 H new ATOM 0 HA ARG A 74 -4.900 -0.377 -7.903 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -4.171 -0.829 -10.347 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -4.105 -2.521 -9.897 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -6.515 -2.376 -9.181 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -6.555 -0.724 -9.765 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -5.586 -2.889 -11.622 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -7.306 -2.758 -11.312 1.00 0.00 H new ATOM 0 HE ARG A 74 -6.007 -0.223 -12.054 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -7.684 -3.132 -13.142 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -8.204 -2.402 -14.664 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -6.680 0.708 -14.011 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -7.638 -0.238 -15.154 1.00 0.00 H new ATOM 1136 N VAL A 75 -5.652 -2.589 -6.863 1.00 0.00 N ATOM 1137 CA VAL A 75 -5.962 -3.700 -5.970 1.00 0.00 C ATOM 1138 C VAL A 75 -7.195 -4.459 -6.446 1.00 0.00 C ATOM 1139 O VAL A 75 -7.922 -3.995 -7.325 1.00 0.00 O ATOM 1140 CB VAL A 75 -6.198 -3.212 -4.529 1.00 0.00 C ATOM 1141 CG1 VAL A 75 -5.049 -2.327 -4.070 1.00 0.00 C ATOM 1142 CG2 VAL A 75 -7.524 -2.474 -4.427 1.00 0.00 C ATOM 0 H VAL A 75 -6.455 -2.012 -7.113 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.100 -4.367 -5.983 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.241 -4.081 -3.872 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.233 -1.992 -3.049 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.118 -2.893 -4.103 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.971 -1.461 -4.728 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.674 -2.136 -3.402 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.513 -1.613 -5.095 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.336 -3.144 -4.711 1.00 0.00 H new ATOM 1152 N ALA A 76 -7.426 -5.629 -5.860 1.00 0.00 N ATOM 1153 CA ALA A 76 -8.573 -6.452 -6.222 1.00 0.00 C ATOM 1154 C ALA A 76 -8.879 -7.477 -5.135 1.00 0.00 C ATOM 1155 O ALA A 76 -8.119 -7.624 -4.178 1.00 0.00 O ATOM 1156 CB ALA A 76 -8.323 -7.150 -7.551 1.00 0.00 C ATOM 0 H ALA A 76 -6.834 -6.028 -5.132 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.440 -5.799 -6.323 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -9.188 -7.761 -7.809 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.161 -6.404 -8.329 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.441 -7.785 -7.468 1.00 0.00 H new ATOM 1162 N GLU A 77 -9.996 -8.181 -5.288 1.00 0.00 N ATOM 1163 CA GLU A 77 -10.402 -9.190 -4.317 1.00 0.00 C ATOM 1164 C GLU A 77 -10.075 -10.593 -4.822 1.00 0.00 C ATOM 1165 O GLU A 77 -10.303 -10.914 -5.988 1.00 0.00 O ATOM 1166 CB GLU A 77 -11.900 -9.077 -4.027 1.00 0.00 C ATOM 1167 CG GLU A 77 -12.254 -7.929 -3.097 1.00 0.00 C ATOM 1168 CD GLU A 77 -13.717 -7.540 -3.182 1.00 0.00 C ATOM 1169 OE1 GLU A 77 -14.165 -7.155 -4.283 1.00 0.00 O ATOM 1170 OE2 GLU A 77 -14.414 -7.620 -2.149 1.00 0.00 O ATOM 0 H GLU A 77 -10.636 -8.071 -6.075 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.847 -9.015 -3.395 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -12.435 -8.950 -4.968 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.248 -10.011 -3.586 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -12.016 -8.210 -2.071 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -11.637 -7.064 -3.342 1.00 0.00 H new ATOM 1177 N ALA A 78 -9.538 -11.424 -3.935 1.00 0.00 N ATOM 1178 CA ALA A 78 -9.181 -12.792 -4.288 1.00 0.00 C ATOM 1179 C ALA A 78 -10.095 -13.795 -3.593 1.00 0.00 C ATOM 1180 O ALA A 78 -10.770 -13.464 -2.620 1.00 0.00 O ATOM 1181 CB ALA A 78 -7.727 -13.067 -3.934 1.00 0.00 C ATOM 0 H ALA A 78 -9.341 -11.173 -2.966 1.00 0.00 H new ATOM 0 HA ALA A 78 -9.309 -12.908 -5.364 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.475 -14.093 -4.203 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.083 -12.379 -4.482 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.580 -12.927 -2.863 1.00 0.00 H new ATOM 1286 N ASP A 87 -11.872 -20.547 5.236 1.00 0.00 N ATOM 1287 CA ASP A 87 -12.600 -19.538 5.996 1.00 0.00 C ATOM 1288 C ASP A 87 -11.882 -18.193 5.943 1.00 0.00 C ATOM 1289 O ASP A 87 -11.955 -17.399 6.881 1.00 0.00 O ATOM 1290 CB ASP A 87 -12.765 -19.985 7.450 1.00 0.00 C ATOM 1291 CG ASP A 87 -13.493 -21.309 7.570 1.00 0.00 C ATOM 1292 OD1 ASP A 87 -14.372 -21.582 6.725 1.00 0.00 O ATOM 1293 OD2 ASP A 87 -13.184 -22.072 8.508 1.00 0.00 O ATOM 0 HA ASP A 87 -13.586 -19.421 5.545 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -11.783 -20.071 7.914 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -13.313 -19.221 8.002 1.00 0.00 H new ATOM 1298 N THR A 88 -11.185 -17.944 4.838 1.00 0.00 N ATOM 1299 CA THR A 88 -10.451 -16.697 4.662 1.00 0.00 C ATOM 1300 C THR A 88 -10.612 -16.159 3.245 1.00 0.00 C ATOM 1301 O THR A 88 -11.113 -16.853 2.361 1.00 0.00 O ATOM 1302 CB THR A 88 -8.951 -16.881 4.962 1.00 0.00 C ATOM 1303 OG1 THR A 88 -8.441 -18.006 4.238 1.00 0.00 O ATOM 1304 CG2 THR A 88 -8.718 -17.081 6.452 1.00 0.00 C ATOM 0 H THR A 88 -11.114 -18.590 4.052 1.00 0.00 H new ATOM 0 HA THR A 88 -10.870 -15.981 5.369 1.00 0.00 H new ATOM 0 HB THR A 88 -8.426 -15.979 4.647 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.487 -18.115 4.433 1.00 0.00 H new ATOM 0 HG21 THR A 88 -7.652 -17.209 6.640 1.00 0.00 H new ATOM 0 HG22 THR A 88 -9.081 -16.210 6.997 1.00 0.00 H new ATOM 0 HG23 THR A 88 -9.254 -17.968 6.788 1.00 0.00 H new ATOM 1312 N SER A 89 -10.183 -14.918 3.036 1.00 0.00 N ATOM 1313 CA SER A 89 -10.283 -14.286 1.726 1.00 0.00 C ATOM 1314 C SER A 89 -9.064 -13.412 1.450 1.00 0.00 C ATOM 1315 O SER A 89 -8.879 -12.370 2.079 1.00 0.00 O ATOM 1316 CB SER A 89 -11.558 -13.445 1.637 1.00 0.00 C ATOM 1317 OG SER A 89 -12.714 -14.262 1.714 1.00 0.00 O ATOM 0 H SER A 89 -9.763 -14.331 3.757 1.00 0.00 H new ATOM 0 HA SER A 89 -10.322 -15.073 0.973 1.00 0.00 H new ATOM 0 HB2 SER A 89 -11.572 -12.713 2.444 1.00 0.00 H new ATOM 0 HB3 SER A 89 -11.565 -12.887 0.701 1.00 0.00 H new ATOM 0 HG SER A 89 -13.515 -13.701 1.656 1.00 0.00 H new ATOM 1323 N ALA A 90 -8.234 -13.844 0.506 1.00 0.00 N ATOM 1324 CA ALA A 90 -7.034 -13.101 0.145 1.00 0.00 C ATOM 1325 C ALA A 90 -7.355 -11.985 -0.843 1.00 0.00 C ATOM 1326 O ALA A 90 -8.334 -12.063 -1.586 1.00 0.00 O ATOM 1327 CB ALA A 90 -5.987 -14.039 -0.437 1.00 0.00 C ATOM 0 H ALA A 90 -8.371 -14.705 -0.023 1.00 0.00 H new ATOM 0 HA ALA A 90 -6.634 -12.645 1.050 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -5.096 -13.470 -0.702 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -5.727 -14.797 0.302 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.387 -14.523 -1.328 1.00 0.00 H new ATOM 1333 N PHE A 91 -6.526 -10.946 -0.847 1.00 0.00 N ATOM 1334 CA PHE A 91 -6.723 -9.813 -1.743 1.00 0.00 C ATOM 1335 C PHE A 91 -5.467 -9.547 -2.568 1.00 0.00 C ATOM 1336 O PHE A 91 -4.408 -10.119 -2.309 1.00 0.00 O ATOM 1337 CB PHE A 91 -7.097 -8.563 -0.944 1.00 0.00 C ATOM 1338 CG PHE A 91 -6.012 -8.099 -0.014 1.00 0.00 C ATOM 1339 CD1 PHE A 91 -5.790 -8.749 1.190 1.00 0.00 C ATOM 1340 CD2 PHE A 91 -5.215 -7.015 -0.343 1.00 0.00 C ATOM 1341 CE1 PHE A 91 -4.793 -8.324 2.048 1.00 0.00 C ATOM 1342 CE2 PHE A 91 -4.217 -6.586 0.511 1.00 0.00 C ATOM 1343 CZ PHE A 91 -4.005 -7.242 1.707 1.00 0.00 C ATOM 0 H PHE A 91 -5.711 -10.866 -0.239 1.00 0.00 H new ATOM 0 HA PHE A 91 -7.538 -10.058 -2.424 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -7.339 -7.757 -1.637 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -7.998 -8.767 -0.365 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -6.402 -9.596 1.461 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -5.375 -6.499 -1.278 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -4.630 -8.837 2.984 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -3.604 -5.738 0.243 1.00 0.00 H new ATOM 0 HZ PHE A 91 -3.224 -6.910 2.375 1.00 0.00 H new ATOM 1353 N PHE A 92 -5.594 -8.675 -3.562 1.00 0.00 N ATOM 1354 CA PHE A 92 -4.470 -8.333 -4.427 1.00 0.00 C ATOM 1355 C PHE A 92 -3.916 -6.955 -4.079 1.00 0.00 C ATOM 1356 O PHE A 92 -4.641 -6.085 -3.595 1.00 0.00 O ATOM 1357 CB PHE A 92 -4.901 -8.367 -5.895 1.00 0.00 C ATOM 1358 CG PHE A 92 -4.868 -9.742 -6.498 1.00 0.00 C ATOM 1359 CD1 PHE A 92 -3.663 -10.342 -6.824 1.00 0.00 C ATOM 1360 CD2 PHE A 92 -6.044 -10.435 -6.739 1.00 0.00 C ATOM 1361 CE1 PHE A 92 -3.631 -11.607 -7.379 1.00 0.00 C ATOM 1362 CE2 PHE A 92 -6.018 -11.700 -7.294 1.00 0.00 C ATOM 1363 CZ PHE A 92 -4.810 -12.287 -7.614 1.00 0.00 C ATOM 0 H PHE A 92 -6.463 -8.192 -3.789 1.00 0.00 H new ATOM 0 HA PHE A 92 -3.684 -9.071 -4.269 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.911 -7.967 -5.978 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -4.250 -7.710 -6.472 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.738 -9.815 -6.642 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -6.992 -9.981 -6.490 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -2.685 -12.064 -7.629 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -6.942 -12.229 -7.477 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.787 -13.276 -8.047 1.00 0.00 H new ATOM 1373 N LEU A 93 -2.625 -6.764 -4.327 1.00 0.00 N ATOM 1374 CA LEU A 93 -1.971 -5.491 -4.040 1.00 0.00 C ATOM 1375 C LEU A 93 -0.800 -5.255 -4.989 1.00 0.00 C ATOM 1376 O LEU A 93 0.252 -5.880 -4.860 1.00 0.00 O ATOM 1377 CB LEU A 93 -1.482 -5.463 -2.591 1.00 0.00 C ATOM 1378 CG LEU A 93 -1.428 -4.086 -1.929 1.00 0.00 C ATOM 1379 CD1 LEU A 93 -0.885 -4.196 -0.512 1.00 0.00 C ATOM 1380 CD2 LEU A 93 -0.578 -3.130 -2.754 1.00 0.00 C ATOM 0 H LEU A 93 -2.010 -7.474 -4.726 1.00 0.00 H new ATOM 0 HA LEU A 93 -2.700 -4.694 -4.187 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.132 -6.105 -1.996 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.484 -5.900 -2.557 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.442 -3.689 -1.879 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.854 -3.206 -0.056 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.533 -4.846 0.076 1.00 0.00 H new ATOM 0 HD13 LEU A 93 0.121 -4.615 -0.539 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.551 -2.155 -2.268 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.435 -3.523 -2.836 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.009 -3.027 -3.750 1.00 0.00 H new ATOM 1392 N GLU A 94 -0.991 -4.346 -5.941 1.00 0.00 N ATOM 1393 CA GLU A 94 0.051 -4.027 -6.910 1.00 0.00 C ATOM 1394 C GLU A 94 0.692 -2.678 -6.595 1.00 0.00 C ATOM 1395 O GLU A 94 0.001 -1.675 -6.417 1.00 0.00 O ATOM 1396 CB GLU A 94 -0.528 -4.009 -8.327 1.00 0.00 C ATOM 1397 CG GLU A 94 0.528 -3.903 -9.414 1.00 0.00 C ATOM 1398 CD GLU A 94 -0.051 -4.060 -10.807 1.00 0.00 C ATOM 1399 OE1 GLU A 94 -0.211 -5.213 -11.257 1.00 0.00 O ATOM 1400 OE2 GLU A 94 -0.345 -3.028 -11.446 1.00 0.00 O ATOM 0 H GLU A 94 -1.856 -3.819 -6.061 1.00 0.00 H new ATOM 0 HA GLU A 94 0.818 -4.799 -6.848 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -1.110 -4.917 -8.484 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.217 -3.169 -8.418 1.00 0.00 H new ATOM 0 HG2 GLU A 94 1.026 -2.936 -9.338 1.00 0.00 H new ATOM 0 HG3 GLU A 94 1.288 -4.667 -9.252 1.00 0.00 H new ATOM 1407 N THR A 95 2.020 -2.663 -6.526 1.00 0.00 N ATOM 1408 CA THR A 95 2.755 -1.440 -6.230 1.00 0.00 C ATOM 1409 C THR A 95 3.889 -1.226 -7.227 1.00 0.00 C ATOM 1410 O THR A 95 4.564 -2.174 -7.628 1.00 0.00 O ATOM 1411 CB THR A 95 3.338 -1.466 -4.805 1.00 0.00 C ATOM 1412 OG1 THR A 95 4.313 -2.509 -4.693 1.00 0.00 O ATOM 1413 CG2 THR A 95 2.239 -1.679 -3.775 1.00 0.00 C ATOM 0 H THR A 95 2.608 -3.484 -6.671 1.00 0.00 H new ATOM 0 HA THR A 95 2.045 -0.617 -6.309 1.00 0.00 H new ATOM 0 HB THR A 95 3.813 -0.504 -4.613 1.00 0.00 H new ATOM 0 HG1 THR A 95 3.942 -3.343 -5.049 1.00 0.00 H new ATOM 0 HG21 THR A 95 2.675 -1.694 -2.776 1.00 0.00 H new ATOM 0 HG22 THR A 95 1.514 -0.868 -3.843 1.00 0.00 H new ATOM 0 HG23 THR A 95 1.739 -2.629 -3.967 1.00 0.00 H new ATOM 1421 N LYS A 96 4.094 0.026 -7.622 1.00 0.00 N ATOM 1422 CA LYS A 96 5.148 0.366 -8.571 1.00 0.00 C ATOM 1423 C LYS A 96 6.366 -0.531 -8.376 1.00 0.00 C ATOM 1424 O LYS A 96 7.022 -0.920 -9.342 1.00 0.00 O ATOM 1425 CB LYS A 96 5.552 1.834 -8.411 1.00 0.00 C ATOM 1426 CG LYS A 96 4.685 2.793 -9.208 1.00 0.00 C ATOM 1427 CD LYS A 96 4.729 4.197 -8.628 1.00 0.00 C ATOM 1428 CE LYS A 96 4.446 5.248 -9.690 1.00 0.00 C ATOM 1429 NZ LYS A 96 2.995 5.332 -10.015 1.00 0.00 N ATOM 0 H LYS A 96 3.544 0.822 -7.300 1.00 0.00 H new ATOM 0 HA LYS A 96 4.761 0.209 -9.578 1.00 0.00 H new ATOM 0 HB2 LYS A 96 5.502 2.103 -7.356 1.00 0.00 H new ATOM 0 HB3 LYS A 96 6.590 1.952 -8.721 1.00 0.00 H new ATOM 0 HG2 LYS A 96 5.023 2.815 -10.244 1.00 0.00 H new ATOM 0 HG3 LYS A 96 3.656 2.434 -9.216 1.00 0.00 H new ATOM 0 HD2 LYS A 96 3.997 4.283 -7.825 1.00 0.00 H new ATOM 0 HD3 LYS A 96 5.709 4.379 -8.187 1.00 0.00 H new ATOM 0 HE2 LYS A 96 4.797 6.220 -9.342 1.00 0.00 H new ATOM 0 HE3 LYS A 96 5.007 5.011 -10.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 2.844 6.060 -10.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 2.665 4.412 -10.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 2.461 5.583 -9.158 1.00 0.00 H new ATOM 1443 N GLU A 97 6.661 -0.857 -7.121 1.00 0.00 N ATOM 1444 CA GLU A 97 7.800 -1.709 -6.802 1.00 0.00 C ATOM 1445 C GLU A 97 7.575 -3.131 -7.311 1.00 0.00 C ATOM 1446 O GLU A 97 8.383 -3.663 -8.072 1.00 0.00 O ATOM 1447 CB GLU A 97 8.043 -1.729 -5.291 1.00 0.00 C ATOM 1448 CG GLU A 97 9.278 -2.515 -4.884 1.00 0.00 C ATOM 1449 CD GLU A 97 10.504 -2.135 -5.691 1.00 0.00 C ATOM 1450 OE1 GLU A 97 10.599 -2.558 -6.862 1.00 0.00 O ATOM 1451 OE2 GLU A 97 11.368 -1.413 -5.151 1.00 0.00 O ATOM 0 H GLU A 97 6.127 -0.544 -6.310 1.00 0.00 H new ATOM 0 HA GLU A 97 8.679 -1.298 -7.299 1.00 0.00 H new ATOM 0 HB2 GLU A 97 8.141 -0.704 -4.934 1.00 0.00 H new ATOM 0 HB3 GLU A 97 7.171 -2.157 -4.797 1.00 0.00 H new ATOM 0 HG2 GLU A 97 9.478 -2.348 -3.826 1.00 0.00 H new ATOM 0 HG3 GLU A 97 9.083 -3.580 -5.007 1.00 0.00 H new ATOM 1458 N ARG A 98 6.474 -3.738 -6.883 1.00 0.00 N ATOM 1459 CA ARG A 98 6.143 -5.098 -7.294 1.00 0.00 C ATOM 1460 C ARG A 98 4.753 -5.491 -6.802 1.00 0.00 C ATOM 1461 O ARG A 98 4.109 -4.745 -6.064 1.00 0.00 O ATOM 1462 CB ARG A 98 7.183 -6.083 -6.756 1.00 0.00 C ATOM 1463 CG ARG A 98 6.958 -6.475 -5.305 1.00 0.00 C ATOM 1464 CD ARG A 98 8.106 -7.317 -4.771 1.00 0.00 C ATOM 1465 NE ARG A 98 7.912 -8.740 -5.041 1.00 0.00 N ATOM 1466 CZ ARG A 98 8.246 -9.322 -6.187 1.00 0.00 C ATOM 1467 NH1 ARG A 98 8.787 -8.608 -7.165 1.00 0.00 N ATOM 1468 NH2 ARG A 98 8.038 -10.622 -6.357 1.00 0.00 N ATOM 0 H ARG A 98 5.796 -3.311 -6.252 1.00 0.00 H new ATOM 0 HA ARG A 98 6.148 -5.133 -8.383 1.00 0.00 H new ATOM 0 HB2 ARG A 98 7.172 -6.982 -7.372 1.00 0.00 H new ATOM 0 HB3 ARG A 98 8.175 -5.641 -6.854 1.00 0.00 H new ATOM 0 HG2 ARG A 98 6.851 -5.577 -4.697 1.00 0.00 H new ATOM 0 HG3 ARG A 98 6.025 -7.032 -5.218 1.00 0.00 H new ATOM 0 HD2 ARG A 98 9.040 -6.986 -5.225 1.00 0.00 H new ATOM 0 HD3 ARG A 98 8.201 -7.161 -3.696 1.00 0.00 H new ATOM 0 HE ARG A 98 7.498 -9.318 -4.310 1.00 0.00 H new ATOM 0 HH11 ARG A 98 8.948 -7.609 -7.038 1.00 0.00 H new ATOM 0 HH12 ARG A 98 9.042 -9.058 -8.044 1.00 0.00 H new ATOM 0 HH21 ARG A 98 7.622 -11.174 -5.607 1.00 0.00 H new ATOM 0 HH22 ARG A 98 8.295 -11.069 -7.237 1.00 0.00 H new ATOM 1482 N LEU A 99 4.296 -6.668 -7.217 1.00 0.00 N ATOM 1483 CA LEU A 99 2.982 -7.161 -6.819 1.00 0.00 C ATOM 1484 C LEU A 99 3.081 -8.026 -5.567 1.00 0.00 C ATOM 1485 O LEU A 99 3.818 -9.012 -5.538 1.00 0.00 O ATOM 1486 CB LEU A 99 2.350 -7.963 -7.959 1.00 0.00 C ATOM 1487 CG LEU A 99 1.028 -8.659 -7.637 1.00 0.00 C ATOM 1488 CD1 LEU A 99 -0.061 -7.635 -7.357 1.00 0.00 C ATOM 1489 CD2 LEU A 99 0.617 -9.578 -8.778 1.00 0.00 C ATOM 0 H LEU A 99 4.816 -7.298 -7.828 1.00 0.00 H new ATOM 0 HA LEU A 99 2.351 -6.301 -6.594 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.188 -7.292 -8.802 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.065 -8.718 -8.285 1.00 0.00 H new ATOM 0 HG LEU A 99 1.168 -9.264 -6.741 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -0.995 -8.150 -7.130 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.230 -7.018 -6.507 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -0.200 -7.002 -8.234 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.326 -10.065 -8.531 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.496 -8.994 -9.690 1.00 0.00 H new ATOM 0 HD23 LEU A 99 1.387 -10.334 -8.931 1.00 0.00 H new ATOM 1501 N TYR A 100 2.332 -7.653 -4.536 1.00 0.00 N ATOM 1502 CA TYR A 100 2.335 -8.394 -3.280 1.00 0.00 C ATOM 1503 C TYR A 100 1.009 -9.120 -3.073 1.00 0.00 C ATOM 1504 O TYR A 100 -0.063 -8.529 -3.206 1.00 0.00 O ATOM 1505 CB TYR A 100 2.602 -7.450 -2.107 1.00 0.00 C ATOM 1506 CG TYR A 100 3.958 -6.784 -2.162 1.00 0.00 C ATOM 1507 CD1 TYR A 100 5.111 -7.480 -1.820 1.00 0.00 C ATOM 1508 CD2 TYR A 100 4.086 -5.458 -2.557 1.00 0.00 C ATOM 1509 CE1 TYR A 100 6.351 -6.874 -1.869 1.00 0.00 C ATOM 1510 CE2 TYR A 100 5.323 -4.844 -2.610 1.00 0.00 C ATOM 1511 CZ TYR A 100 6.452 -5.557 -2.264 1.00 0.00 C ATOM 1512 OH TYR A 100 7.687 -4.950 -2.315 1.00 0.00 O ATOM 0 H TYR A 100 1.714 -6.841 -4.545 1.00 0.00 H new ATOM 0 HA TYR A 100 3.131 -9.137 -3.327 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.830 -6.681 -2.087 1.00 0.00 H new ATOM 0 HB3 TYR A 100 2.519 -8.009 -1.175 1.00 0.00 H new ATOM 0 HD1 TYR A 100 5.036 -8.512 -1.511 1.00 0.00 H new ATOM 0 HD2 TYR A 100 3.203 -4.897 -2.827 1.00 0.00 H new ATOM 0 HE1 TYR A 100 7.237 -7.429 -1.599 1.00 0.00 H new ATOM 0 HE2 TYR A 100 5.405 -3.813 -2.920 1.00 0.00 H new ATOM 0 HH TYR A 100 7.584 -4.022 -2.614 1.00 0.00 H new ATOM 1522 N LEU A 101 1.090 -10.405 -2.745 1.00 0.00 N ATOM 1523 CA LEU A 101 -0.102 -11.213 -2.518 1.00 0.00 C ATOM 1524 C LEU A 101 -0.251 -11.560 -1.040 1.00 0.00 C ATOM 1525 O LEU A 101 0.427 -12.453 -0.530 1.00 0.00 O ATOM 1526 CB LEU A 101 -0.040 -12.495 -3.351 1.00 0.00 C ATOM 1527 CG LEU A 101 -1.207 -13.467 -3.174 1.00 0.00 C ATOM 1528 CD1 LEU A 101 -2.509 -12.827 -3.627 1.00 0.00 C ATOM 1529 CD2 LEU A 101 -0.948 -14.755 -3.942 1.00 0.00 C ATOM 0 H LEU A 101 1.969 -10.909 -2.630 1.00 0.00 H new ATOM 0 HA LEU A 101 -0.970 -10.630 -2.825 1.00 0.00 H new ATOM 0 HB2 LEU A 101 0.020 -12.218 -4.404 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.884 -13.019 -3.106 1.00 0.00 H new ATOM 0 HG LEU A 101 -1.296 -13.710 -2.115 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -3.328 -13.534 -3.493 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -2.701 -11.933 -3.033 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.433 -12.554 -4.680 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -1.788 -15.436 -3.805 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.833 -14.530 -5.002 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.037 -15.224 -3.570 1.00 0.00 H new ATOM 1541 N LEU A 102 -1.144 -10.851 -0.358 1.00 0.00 N ATOM 1542 CA LEU A 102 -1.384 -11.085 1.061 1.00 0.00 C ATOM 1543 C LEU A 102 -2.750 -11.728 1.284 1.00 0.00 C ATOM 1544 O LEU A 102 -3.613 -11.692 0.408 1.00 0.00 O ATOM 1545 CB LEU A 102 -1.295 -9.770 1.837 1.00 0.00 C ATOM 1546 CG LEU A 102 0.078 -9.096 1.860 1.00 0.00 C ATOM 1547 CD1 LEU A 102 0.230 -8.155 0.675 1.00 0.00 C ATOM 1548 CD2 LEU A 102 0.283 -8.346 3.169 1.00 0.00 C ATOM 0 H LEU A 102 -1.714 -10.109 -0.765 1.00 0.00 H new ATOM 0 HA LEU A 102 -0.617 -11.768 1.426 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -2.014 -9.070 1.411 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.603 -9.957 2.866 1.00 0.00 H new ATOM 0 HG LEU A 102 0.842 -9.869 1.784 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.213 -7.684 0.708 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.128 -8.719 -0.252 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.542 -7.387 0.719 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.265 -7.873 3.167 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -0.487 -7.582 3.275 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.218 -9.045 4.003 1.00 0.00 H new ATOM 1560 N ALA A 103 -2.938 -12.313 2.462 1.00 0.00 N ATOM 1561 CA ALA A 103 -4.199 -12.959 2.801 1.00 0.00 C ATOM 1562 C ALA A 103 -4.881 -12.254 3.969 1.00 0.00 C ATOM 1563 O ALA A 103 -4.219 -11.772 4.887 1.00 0.00 O ATOM 1564 CB ALA A 103 -3.968 -14.427 3.130 1.00 0.00 C ATOM 0 H ALA A 103 -2.233 -12.353 3.198 1.00 0.00 H new ATOM 0 HA ALA A 103 -4.858 -12.891 1.935 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -4.919 -14.897 3.381 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.532 -14.929 2.266 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -3.288 -14.507 3.978 1.00 0.00 H new ATOM 1570 N ALA A 104 -6.208 -12.197 3.926 1.00 0.00 N ATOM 1571 CA ALA A 104 -6.979 -11.552 4.982 1.00 0.00 C ATOM 1572 C ALA A 104 -8.235 -12.352 5.311 1.00 0.00 C ATOM 1573 O ALA A 104 -8.781 -13.070 4.473 1.00 0.00 O ATOM 1574 CB ALA A 104 -7.347 -10.133 4.575 1.00 0.00 C ATOM 0 H ALA A 104 -6.771 -12.589 3.172 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.359 -11.512 5.878 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -7.922 -9.663 5.373 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -6.438 -9.558 4.396 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -7.944 -10.159 3.664 1.00 0.00 H new ATOM 1580 N PRO A 105 -8.706 -12.228 6.561 1.00 0.00 N ATOM 1581 CA PRO A 105 -9.903 -12.932 7.030 1.00 0.00 C ATOM 1582 C PRO A 105 -11.179 -12.395 6.391 1.00 0.00 C ATOM 1583 O PRO A 105 -11.531 -11.230 6.572 1.00 0.00 O ATOM 1584 CB PRO A 105 -9.905 -12.664 8.537 1.00 0.00 C ATOM 1585 CG PRO A 105 -9.149 -11.390 8.696 1.00 0.00 C ATOM 1586 CD PRO A 105 -8.106 -11.390 7.613 1.00 0.00 C ATOM 0 HA PRO A 105 -9.880 -13.991 6.772 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -10.921 -12.572 8.921 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -9.429 -13.478 9.084 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -9.811 -10.529 8.601 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -8.688 -11.330 9.682 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -7.899 -10.382 7.254 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.161 -11.803 7.965 1.00 0.00 H new ATOM 1594 N ALA A 106 -11.868 -13.252 5.645 1.00 0.00 N ATOM 1595 CA ALA A 106 -13.106 -12.864 4.982 1.00 0.00 C ATOM 1596 C ALA A 106 -13.894 -11.871 5.829 1.00 0.00 C ATOM 1597 O ALA A 106 -14.586 -11.001 5.300 1.00 0.00 O ATOM 1598 CB ALA A 106 -13.952 -14.093 4.682 1.00 0.00 C ATOM 0 H ALA A 106 -11.589 -14.220 5.485 1.00 0.00 H new ATOM 0 HA ALA A 106 -12.848 -12.376 4.042 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -14.874 -13.788 4.187 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -13.396 -14.767 4.031 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -14.193 -14.605 5.614 1.00 0.00 H new ATOM 1604 N ALA A 107 -13.786 -12.008 7.147 1.00 0.00 N ATOM 1605 CA ALA A 107 -14.488 -11.121 8.067 1.00 0.00 C ATOM 1606 C ALA A 107 -14.070 -9.670 7.858 1.00 0.00 C ATOM 1607 O ALA A 107 -14.913 -8.791 7.681 1.00 0.00 O ATOM 1608 CB ALA A 107 -14.232 -11.545 9.506 1.00 0.00 C ATOM 0 H ALA A 107 -13.219 -12.724 7.601 1.00 0.00 H new ATOM 0 HA ALA A 107 -15.556 -11.196 7.862 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -14.762 -10.874 10.183 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -14.588 -12.565 9.654 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -13.163 -11.500 9.714 1.00 0.00 H new ATOM 1614 N GLU A 108 -12.763 -9.427 7.880 1.00 0.00 N ATOM 1615 CA GLU A 108 -12.234 -8.080 7.694 1.00 0.00 C ATOM 1616 C GLU A 108 -12.150 -7.729 6.211 1.00 0.00 C ATOM 1617 O GLU A 108 -12.307 -6.570 5.828 1.00 0.00 O ATOM 1618 CB GLU A 108 -10.852 -7.958 8.338 1.00 0.00 C ATOM 1619 CG GLU A 108 -10.781 -8.533 9.742 1.00 0.00 C ATOM 1620 CD GLU A 108 -11.339 -7.588 10.788 1.00 0.00 C ATOM 1621 OE1 GLU A 108 -12.570 -7.377 10.803 1.00 0.00 O ATOM 1622 OE2 GLU A 108 -10.544 -7.059 11.593 1.00 0.00 O ATOM 0 H GLU A 108 -12.052 -10.144 8.024 1.00 0.00 H new ATOM 0 HA GLU A 108 -12.915 -7.379 8.177 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -10.121 -8.467 7.709 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -10.567 -6.906 8.371 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -11.333 -9.472 9.774 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -9.744 -8.765 9.984 1.00 0.00 H new ATOM 1629 N ARG A 109 -11.901 -8.738 5.383 1.00 0.00 N ATOM 1630 CA ARG A 109 -11.794 -8.536 3.943 1.00 0.00 C ATOM 1631 C ARG A 109 -12.793 -7.486 3.466 1.00 0.00 C ATOM 1632 O ARG A 109 -12.407 -6.427 2.971 1.00 0.00 O ATOM 1633 CB ARG A 109 -12.031 -9.854 3.203 1.00 0.00 C ATOM 1634 CG ARG A 109 -11.358 -9.916 1.841 1.00 0.00 C ATOM 1635 CD ARG A 109 -12.245 -9.330 0.754 1.00 0.00 C ATOM 1636 NE ARG A 109 -13.274 -10.271 0.320 1.00 0.00 N ATOM 1637 CZ ARG A 109 -13.059 -11.239 -0.564 1.00 0.00 C ATOM 1638 NH1 ARG A 109 -11.858 -11.393 -1.105 1.00 0.00 N ATOM 1639 NH2 ARG A 109 -14.046 -12.056 -0.908 1.00 0.00 N ATOM 0 H ARG A 109 -11.770 -9.704 5.684 1.00 0.00 H new ATOM 0 HA ARG A 109 -10.787 -8.180 3.725 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -11.666 -10.677 3.817 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -13.103 -10.002 3.076 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -10.414 -9.371 1.875 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -11.120 -10.952 1.599 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -12.718 -8.420 1.124 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -11.631 -9.045 -0.100 1.00 0.00 H new ATOM 0 HE ARG A 109 -14.209 -10.180 0.717 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -11.096 -10.767 -0.843 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -11.696 -12.137 -1.783 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -14.971 -11.941 -0.494 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -13.880 -12.799 -1.587 1.00 0.00 H new ATOM 1653 N GLY A 110 -14.079 -7.787 3.617 1.00 0.00 N ATOM 1654 CA GLY A 110 -15.113 -6.860 3.196 1.00 0.00 C ATOM 1655 C GLY A 110 -14.758 -5.418 3.502 1.00 0.00 C ATOM 1656 O GLY A 110 -15.013 -4.524 2.695 1.00 0.00 O ATOM 0 H GLY A 110 -14.423 -8.657 4.024 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -15.281 -6.970 2.125 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -16.049 -7.114 3.693 1.00 0.00 H new ATOM 1660 N ASP A 111 -14.170 -5.190 4.672 1.00 0.00 N ATOM 1661 CA ASP A 111 -13.780 -3.847 5.083 1.00 0.00 C ATOM 1662 C ASP A 111 -12.438 -3.459 4.471 1.00 0.00 C ATOM 1663 O ASP A 111 -12.342 -2.483 3.728 1.00 0.00 O ATOM 1664 CB ASP A 111 -13.704 -3.759 6.608 1.00 0.00 C ATOM 1665 CG ASP A 111 -15.071 -3.626 7.250 1.00 0.00 C ATOM 1666 OD1 ASP A 111 -15.917 -2.895 6.695 1.00 0.00 O ATOM 1667 OD2 ASP A 111 -15.294 -4.253 8.307 1.00 0.00 O ATOM 0 H ASP A 111 -13.953 -5.919 5.352 1.00 0.00 H new ATOM 0 HA ASP A 111 -14.537 -3.150 4.724 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -13.209 -4.649 6.996 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -13.089 -2.904 6.889 1.00 0.00 H new ATOM 1672 N TRP A 112 -11.404 -4.230 4.789 1.00 0.00 N ATOM 1673 CA TRP A 112 -10.066 -3.966 4.271 1.00 0.00 C ATOM 1674 C TRP A 112 -10.130 -3.434 2.844 1.00 0.00 C ATOM 1675 O TRP A 112 -9.919 -2.245 2.604 1.00 0.00 O ATOM 1676 CB TRP A 112 -9.219 -5.239 4.317 1.00 0.00 C ATOM 1677 CG TRP A 112 -8.602 -5.494 5.658 1.00 0.00 C ATOM 1678 CD1 TRP A 112 -8.767 -6.603 6.439 1.00 0.00 C ATOM 1679 CD2 TRP A 112 -7.724 -4.622 6.378 1.00 0.00 C ATOM 1680 NE1 TRP A 112 -8.044 -6.472 7.600 1.00 0.00 N ATOM 1681 CE2 TRP A 112 -7.395 -5.266 7.586 1.00 0.00 C ATOM 1682 CE3 TRP A 112 -7.182 -3.361 6.118 1.00 0.00 C ATOM 1683 CZ2 TRP A 112 -6.550 -4.690 8.531 1.00 0.00 C ATOM 1684 CZ3 TRP A 112 -6.343 -2.790 7.056 1.00 0.00 C ATOM 1685 CH2 TRP A 112 -6.033 -3.454 8.250 1.00 0.00 C ATOM 0 H TRP A 112 -11.466 -5.042 5.403 1.00 0.00 H new ATOM 0 HA TRP A 112 -9.602 -3.207 4.901 1.00 0.00 H new ATOM 0 HB2 TRP A 112 -9.842 -6.091 4.044 1.00 0.00 H new ATOM 0 HB3 TRP A 112 -8.429 -5.168 3.569 1.00 0.00 H new ATOM 0 HD1 TRP A 112 -9.376 -7.457 6.182 1.00 0.00 H new ATOM 0 HE1 TRP A 112 -7.998 -7.161 8.351 1.00 0.00 H new ATOM 0 HE3 TRP A 112 -7.415 -2.842 5.200 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 -6.311 -5.200 9.453 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 -5.919 -1.815 6.865 1.00 0.00 H new ATOM 0 HH2 TRP A 112 -5.373 -2.982 8.963 1.00 0.00 H new ATOM 1696 N VAL A 113 -10.423 -4.321 1.898 1.00 0.00 N ATOM 1697 CA VAL A 113 -10.516 -3.940 0.494 1.00 0.00 C ATOM 1698 C VAL A 113 -11.223 -2.599 0.335 1.00 0.00 C ATOM 1699 O VAL A 113 -10.768 -1.732 -0.411 1.00 0.00 O ATOM 1700 CB VAL A 113 -11.267 -5.004 -0.328 1.00 0.00 C ATOM 1701 CG1 VAL A 113 -11.566 -4.486 -1.726 1.00 0.00 C ATOM 1702 CG2 VAL A 113 -10.464 -6.295 -0.389 1.00 0.00 C ATOM 0 H VAL A 113 -10.600 -5.309 2.079 1.00 0.00 H new ATOM 0 HA VAL A 113 -9.495 -3.857 0.120 1.00 0.00 H new ATOM 0 HB VAL A 113 -12.216 -5.216 0.165 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -12.097 -5.252 -2.292 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -12.184 -3.591 -1.658 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -10.631 -4.244 -2.232 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -11.010 -7.036 -0.974 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -9.499 -6.102 -0.858 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -10.307 -6.674 0.621 1.00 0.00 H new ATOM 1712 N GLN A 114 -12.337 -2.435 1.040 1.00 0.00 N ATOM 1713 CA GLN A 114 -13.107 -1.199 0.977 1.00 0.00 C ATOM 1714 C GLN A 114 -12.265 -0.010 1.426 1.00 0.00 C ATOM 1715 O GLN A 114 -11.932 0.865 0.627 1.00 0.00 O ATOM 1716 CB GLN A 114 -14.361 -1.308 1.846 1.00 0.00 C ATOM 1717 CG GLN A 114 -15.357 -0.182 1.622 1.00 0.00 C ATOM 1718 CD GLN A 114 -16.549 -0.263 2.554 1.00 0.00 C ATOM 1719 OE1 GLN A 114 -16.512 -0.959 3.569 1.00 0.00 O ATOM 1720 NE2 GLN A 114 -17.616 0.450 2.215 1.00 0.00 N ATOM 0 H GLN A 114 -12.727 -3.143 1.662 1.00 0.00 H new ATOM 0 HA GLN A 114 -13.405 -1.040 -0.059 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -14.851 -2.261 1.644 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -14.066 -1.317 2.895 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -14.855 0.775 1.763 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -15.705 -0.210 0.590 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -17.604 1.013 1.365 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -18.448 0.435 2.805 1.00 0.00 H new ATOM 1729 N ALA A 115 -11.923 0.016 2.710 1.00 0.00 N ATOM 1730 CA ALA A 115 -11.118 1.097 3.266 1.00 0.00 C ATOM 1731 C ALA A 115 -9.888 1.363 2.405 1.00 0.00 C ATOM 1732 O ALA A 115 -9.681 2.480 1.930 1.00 0.00 O ATOM 1733 CB ALA A 115 -10.705 0.768 4.693 1.00 0.00 C ATOM 0 H ALA A 115 -12.191 -0.700 3.385 1.00 0.00 H new ATOM 0 HA ALA A 115 -11.726 2.002 3.275 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -10.105 1.584 5.095 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -11.595 0.635 5.308 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -10.119 -0.151 4.699 1.00 0.00 H new ATOM 1739 N ILE A 116 -9.074 0.331 2.209 1.00 0.00 N ATOM 1740 CA ILE A 116 -7.865 0.455 1.405 1.00 0.00 C ATOM 1741 C ILE A 116 -8.166 1.091 0.052 1.00 0.00 C ATOM 1742 O ILE A 116 -7.431 1.963 -0.413 1.00 0.00 O ATOM 1743 CB ILE A 116 -7.197 -0.914 1.178 1.00 0.00 C ATOM 1744 CG1 ILE A 116 -6.849 -1.565 2.518 1.00 0.00 C ATOM 1745 CG2 ILE A 116 -5.951 -0.760 0.318 1.00 0.00 C ATOM 1746 CD1 ILE A 116 -6.420 -3.010 2.395 1.00 0.00 C ATOM 0 H ILE A 116 -9.230 -0.600 2.596 1.00 0.00 H new ATOM 0 HA ILE A 116 -7.182 1.097 1.961 1.00 0.00 H new ATOM 0 HB ILE A 116 -7.899 -1.561 0.653 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -6.049 -0.996 2.992 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -7.715 -1.507 3.177 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -5.490 -1.736 0.167 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -6.225 -0.335 -0.647 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -5.243 -0.099 0.818 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -6.189 -3.406 3.384 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -7.227 -3.592 1.950 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -5.535 -3.074 1.762 1.00 0.00 H new ATOM 1758 N CYS A 117 -9.253 0.652 -0.573 1.00 0.00 N ATOM 1759 CA CYS A 117 -9.653 1.179 -1.873 1.00 0.00 C ATOM 1760 C CYS A 117 -10.112 2.629 -1.753 1.00 0.00 C ATOM 1761 O CYS A 117 -9.987 3.410 -2.697 1.00 0.00 O ATOM 1762 CB CYS A 117 -10.772 0.325 -2.470 1.00 0.00 C ATOM 1763 SG CYS A 117 -11.292 0.841 -4.123 1.00 0.00 S ATOM 0 H CYS A 117 -9.873 -0.067 -0.201 1.00 0.00 H new ATOM 0 HA CYS A 117 -8.787 1.144 -2.534 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -10.440 -0.712 -2.513 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -11.634 0.357 -1.803 1.00 0.00 H new ATOM 0 HG CYS A 117 -10.988 2.092 -4.303 1.00 0.00 H new ATOM 1769 N LEU A 118 -10.644 2.981 -0.588 1.00 0.00 N ATOM 1770 CA LEU A 118 -11.123 4.337 -0.345 1.00 0.00 C ATOM 1771 C LEU A 118 -9.957 5.304 -0.172 1.00 0.00 C ATOM 1772 O LEU A 118 -9.938 6.384 -0.764 1.00 0.00 O ATOM 1773 CB LEU A 118 -12.016 4.369 0.897 1.00 0.00 C ATOM 1774 CG LEU A 118 -13.507 4.134 0.658 1.00 0.00 C ATOM 1775 CD1 LEU A 118 -14.143 5.356 0.012 1.00 0.00 C ATOM 1776 CD2 LEU A 118 -13.721 2.900 -0.207 1.00 0.00 C ATOM 0 H LEU A 118 -10.755 2.347 0.203 1.00 0.00 H new ATOM 0 HA LEU A 118 -11.705 4.651 -1.212 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -11.657 3.614 1.597 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -11.895 5.337 1.382 1.00 0.00 H new ATOM 0 HG LEU A 118 -13.988 3.966 1.622 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -15.205 5.170 -0.151 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -14.022 6.219 0.667 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -13.659 5.556 -0.944 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -14.789 2.748 -0.367 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -13.227 3.039 -1.168 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -13.301 2.027 0.294 1.00 0.00 H new ATOM 1788 N LEU A 119 -8.983 4.909 0.641 1.00 0.00 N ATOM 1789 CA LEU A 119 -7.810 5.740 0.891 1.00 0.00 C ATOM 1790 C LEU A 119 -6.820 5.646 -0.265 1.00 0.00 C ATOM 1791 O LEU A 119 -6.516 6.644 -0.918 1.00 0.00 O ATOM 1792 CB LEU A 119 -7.131 5.319 2.195 1.00 0.00 C ATOM 1793 CG LEU A 119 -7.782 5.821 3.484 1.00 0.00 C ATOM 1794 CD1 LEU A 119 -7.125 5.183 4.698 1.00 0.00 C ATOM 1795 CD2 LEU A 119 -7.699 7.339 3.567 1.00 0.00 C ATOM 0 H LEU A 119 -8.982 4.018 1.138 1.00 0.00 H new ATOM 0 HA LEU A 119 -8.140 6.775 0.979 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -7.098 4.230 2.229 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -6.099 5.669 2.173 1.00 0.00 H new ATOM 0 HG LEU A 119 -8.833 5.534 3.473 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -7.602 5.553 5.606 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -7.236 4.100 4.645 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -6.066 5.439 4.715 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -8.167 7.679 4.491 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -6.654 7.647 3.555 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -8.217 7.779 2.715 1.00 0.00 H new ATOM 1807 N ALA A 120 -6.322 4.439 -0.514 1.00 0.00 N ATOM 1808 CA ALA A 120 -5.369 4.214 -1.594 1.00 0.00 C ATOM 1809 C ALA A 120 -5.766 4.988 -2.846 1.00 0.00 C ATOM 1810 O ALA A 120 -4.916 5.551 -3.536 1.00 0.00 O ATOM 1811 CB ALA A 120 -5.262 2.728 -1.902 1.00 0.00 C ATOM 0 H ALA A 120 -6.563 3.602 0.017 1.00 0.00 H new ATOM 0 HA ALA A 120 -4.395 4.577 -1.267 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -4.547 2.575 -2.710 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -4.924 2.196 -1.013 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -6.238 2.348 -2.204 1.00 0.00 H new ATOM 1817 N PHE A 121 -7.063 5.012 -3.136 1.00 0.00 N ATOM 1818 CA PHE A 121 -7.572 5.716 -4.307 1.00 0.00 C ATOM 1819 C PHE A 121 -8.444 6.899 -3.894 1.00 0.00 C ATOM 1820 O PHE A 121 -9.509 7.129 -4.466 1.00 0.00 O ATOM 1821 CB PHE A 121 -8.375 4.761 -5.193 1.00 0.00 C ATOM 1822 CG PHE A 121 -7.670 3.464 -5.469 1.00 0.00 C ATOM 1823 CD1 PHE A 121 -7.532 2.510 -4.475 1.00 0.00 C ATOM 1824 CD2 PHE A 121 -7.145 3.200 -6.724 1.00 0.00 C ATOM 1825 CE1 PHE A 121 -6.884 1.315 -4.726 1.00 0.00 C ATOM 1826 CE2 PHE A 121 -6.497 2.007 -6.982 1.00 0.00 C ATOM 1827 CZ PHE A 121 -6.365 1.064 -5.981 1.00 0.00 C ATOM 0 H PHE A 121 -7.781 4.552 -2.576 1.00 0.00 H new ATOM 0 HA PHE A 121 -6.720 6.095 -4.871 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -9.331 4.551 -4.714 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -8.595 5.255 -6.140 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -7.935 2.702 -3.492 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -7.243 3.935 -7.509 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -6.784 0.579 -3.942 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -6.094 1.812 -7.965 1.00 0.00 H new ATOM 0 HZ PHE A 121 -5.857 0.132 -6.180 1.00 0.00 H new