USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=12 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+ 143:sc= 2.21 (180deg=-0.498) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 1.2 K(o=1.2,f=-0.13) 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= -1.05 K(o=-1,f=-5.4!) USER MOD Single : A 65 LYS NZ :NH3+ -176:sc= 0.00547 (180deg=0.00216) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 CYS SG : rot -130:sc= -3.72! USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= -0.43 USER MOD Single : A 95 THR OG1 : rot -30:sc= 1.15 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 30:sc= 0 USER MOD Single : A 114 GLN : amide:sc= -0.144 K(o=-0.14,f=-1.8!) USER MOD Single : A 117 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 119 N VAL A 13 -7.141 4.042 11.709 1.00 0.00 N ATOM 120 CA VAL A 13 -8.511 3.943 11.222 1.00 0.00 C ATOM 121 C VAL A 13 -9.073 2.543 11.443 1.00 0.00 C ATOM 122 O VAL A 13 -10.192 2.380 11.929 1.00 0.00 O ATOM 123 CB VAL A 13 -8.600 4.289 9.723 1.00 0.00 C ATOM 124 CG1 VAL A 13 -10.031 4.147 9.227 1.00 0.00 C ATOM 125 CG2 VAL A 13 -8.076 5.694 9.470 1.00 0.00 C ATOM 0 HA VAL A 13 -9.102 4.662 11.789 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.977 3.588 9.167 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -10.075 4.395 8.167 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -10.367 3.120 9.373 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -10.678 4.823 9.785 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.146 5.922 8.406 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.671 6.411 10.035 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.035 5.757 9.787 1.00 0.00 H new ATOM 135 N LYS A 14 -8.288 1.533 11.083 1.00 0.00 N ATOM 136 CA LYS A 14 -8.705 0.145 11.243 1.00 0.00 C ATOM 137 C LYS A 14 -7.511 -0.748 11.567 1.00 0.00 C ATOM 138 O LYS A 14 -6.435 -0.593 10.990 1.00 0.00 O ATOM 139 CB LYS A 14 -9.396 -0.352 9.971 1.00 0.00 C ATOM 140 CG LYS A 14 -10.445 -1.420 10.227 1.00 0.00 C ATOM 141 CD LYS A 14 -10.805 -2.164 8.952 1.00 0.00 C ATOM 142 CE LYS A 14 -9.910 -3.376 8.742 1.00 0.00 C ATOM 143 NZ LYS A 14 -10.554 -4.398 7.871 1.00 0.00 N ATOM 0 H LYS A 14 -7.359 1.650 10.678 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.409 0.097 12.074 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -9.866 0.494 9.468 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.643 -0.750 9.290 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -10.073 -2.126 10.969 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -11.340 -0.960 10.646 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -11.846 -2.483 8.997 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -10.714 -1.491 8.099 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -8.968 -3.059 8.294 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -9.670 -3.821 9.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -9.835 -4.836 7.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -10.997 -5.129 8.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -11.280 -3.944 7.281 1.00 0.00 H new ATOM 157 N GLN A 15 -7.710 -1.682 12.492 1.00 0.00 N ATOM 158 CA GLN A 15 -6.649 -2.599 12.890 1.00 0.00 C ATOM 159 C GLN A 15 -6.996 -4.034 12.505 1.00 0.00 C ATOM 160 O GLN A 15 -8.169 -4.397 12.420 1.00 0.00 O ATOM 161 CB GLN A 15 -6.407 -2.508 14.398 1.00 0.00 C ATOM 162 CG GLN A 15 -5.488 -1.364 14.798 1.00 0.00 C ATOM 163 CD GLN A 15 -5.715 -0.906 16.226 1.00 0.00 C ATOM 164 OE1 GLN A 15 -5.251 -1.540 17.174 1.00 0.00 O ATOM 165 NE2 GLN A 15 -6.430 0.200 16.386 1.00 0.00 N ATOM 0 H GLN A 15 -8.595 -1.823 12.979 1.00 0.00 H new ATOM 0 HA GLN A 15 -5.739 -2.311 12.364 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.365 -2.388 14.905 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -5.977 -3.447 14.746 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -4.451 -1.678 14.682 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -5.644 -0.524 14.122 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -6.795 0.694 15.571 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -6.615 0.557 17.324 1.00 0.00 H new ATOM 174 N GLY A 16 -5.969 -4.845 12.273 1.00 0.00 N ATOM 175 CA GLY A 16 -6.186 -6.230 11.900 1.00 0.00 C ATOM 176 C GLY A 16 -4.904 -6.929 11.492 1.00 0.00 C ATOM 177 O GLY A 16 -3.989 -6.302 10.959 1.00 0.00 O ATOM 0 H GLY A 16 -4.990 -4.567 12.337 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -6.635 -6.762 12.738 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.898 -6.274 11.076 1.00 0.00 H new ATOM 181 N PHE A 17 -4.837 -8.232 11.745 1.00 0.00 N ATOM 182 CA PHE A 17 -3.656 -9.017 11.404 1.00 0.00 C ATOM 183 C PHE A 17 -3.737 -9.523 9.967 1.00 0.00 C ATOM 184 O PHE A 17 -4.697 -10.194 9.586 1.00 0.00 O ATOM 185 CB PHE A 17 -3.507 -10.197 12.365 1.00 0.00 C ATOM 186 CG PHE A 17 -3.319 -9.785 13.797 1.00 0.00 C ATOM 187 CD1 PHE A 17 -2.214 -9.041 14.178 1.00 0.00 C ATOM 188 CD2 PHE A 17 -4.247 -10.141 14.762 1.00 0.00 C ATOM 189 CE1 PHE A 17 -2.038 -8.659 15.495 1.00 0.00 C ATOM 190 CE2 PHE A 17 -4.077 -9.762 16.080 1.00 0.00 C ATOM 191 CZ PHE A 17 -2.970 -9.021 16.448 1.00 0.00 C ATOM 0 H PHE A 17 -5.586 -8.766 12.185 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.782 -8.372 11.495 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.392 -10.830 12.291 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.655 -10.802 12.055 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.481 -8.756 13.437 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.113 -10.721 14.481 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.173 -8.078 15.778 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.809 -10.045 16.822 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.834 -8.726 17.478 1.00 0.00 H new ATOM 201 N LEU A 18 -2.722 -9.197 9.174 1.00 0.00 N ATOM 202 CA LEU A 18 -2.677 -9.618 7.777 1.00 0.00 C ATOM 203 C LEU A 18 -1.656 -10.733 7.578 1.00 0.00 C ATOM 204 O LEU A 18 -0.921 -11.089 8.500 1.00 0.00 O ATOM 205 CB LEU A 18 -2.334 -8.430 6.877 1.00 0.00 C ATOM 206 CG LEU A 18 -3.471 -7.444 6.604 1.00 0.00 C ATOM 207 CD1 LEU A 18 -2.939 -6.190 5.928 1.00 0.00 C ATOM 208 CD2 LEU A 18 -4.549 -8.097 5.751 1.00 0.00 C ATOM 0 H LEU A 18 -1.920 -8.643 9.474 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.661 -9.999 7.505 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.507 -7.883 7.330 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.976 -8.815 5.922 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.915 -7.157 7.557 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.762 -5.500 5.742 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.204 -5.712 6.575 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.469 -6.458 4.982 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.350 -7.381 5.566 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.119 -8.413 4.801 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.951 -8.965 6.274 1.00 0.00 H new ATOM 220 N TYR A 19 -1.613 -11.280 6.368 1.00 0.00 N ATOM 221 CA TYR A 19 -0.682 -12.355 6.047 1.00 0.00 C ATOM 222 C TYR A 19 0.070 -12.056 4.754 1.00 0.00 C ATOM 223 O TYR A 19 -0.532 -11.929 3.687 1.00 0.00 O ATOM 224 CB TYR A 19 -1.429 -13.684 5.921 1.00 0.00 C ATOM 225 CG TYR A 19 -2.540 -13.852 6.932 1.00 0.00 C ATOM 226 CD1 TYR A 19 -2.292 -13.731 8.294 1.00 0.00 C ATOM 227 CD2 TYR A 19 -3.839 -14.132 6.526 1.00 0.00 C ATOM 228 CE1 TYR A 19 -3.304 -13.885 9.221 1.00 0.00 C ATOM 229 CE2 TYR A 19 -4.858 -14.286 7.446 1.00 0.00 C ATOM 230 CZ TYR A 19 -4.585 -14.162 8.793 1.00 0.00 C ATOM 231 OH TYR A 19 -5.596 -14.315 9.713 1.00 0.00 O ATOM 0 H TYR A 19 -2.212 -10.996 5.593 1.00 0.00 H new ATOM 0 HA TYR A 19 0.042 -12.429 6.858 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.847 -13.762 4.918 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -0.719 -14.503 6.035 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -1.290 -13.513 8.634 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.056 -14.231 5.473 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -3.093 -13.789 10.276 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.862 -14.502 7.113 1.00 0.00 H new ATOM 0 HH TYR A 19 -6.437 -14.505 9.247 1.00 0.00 H new ATOM 241 N LEU A 20 1.390 -11.946 4.856 1.00 0.00 N ATOM 242 CA LEU A 20 2.227 -11.663 3.695 1.00 0.00 C ATOM 243 C LEU A 20 3.130 -12.849 3.374 1.00 0.00 C ATOM 244 O LEU A 20 3.989 -13.221 4.173 1.00 0.00 O ATOM 245 CB LEU A 20 3.074 -10.415 3.945 1.00 0.00 C ATOM 246 CG LEU A 20 4.167 -10.128 2.914 1.00 0.00 C ATOM 247 CD1 LEU A 20 3.623 -10.282 1.503 1.00 0.00 C ATOM 248 CD2 LEU A 20 4.739 -8.733 3.118 1.00 0.00 C ATOM 0 H LEU A 20 1.904 -12.048 5.731 1.00 0.00 H new ATOM 0 HA LEU A 20 1.574 -11.486 2.841 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.409 -9.552 3.990 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.542 -10.508 4.925 1.00 0.00 H new ATOM 0 HG LEU A 20 4.970 -10.852 3.053 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.415 -10.074 0.783 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.262 -11.301 1.361 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.802 -9.582 1.351 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.515 -8.546 2.376 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.945 -7.994 3.007 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.167 -8.658 4.118 1.00 0.00 H new ATOM 260 N GLN A 21 2.931 -13.437 2.198 1.00 0.00 N ATOM 261 CA GLN A 21 3.730 -14.580 1.771 1.00 0.00 C ATOM 262 C GLN A 21 5.183 -14.175 1.549 1.00 0.00 C ATOM 263 O GLN A 21 5.468 -13.225 0.819 1.00 0.00 O ATOM 264 CB GLN A 21 3.153 -15.181 0.488 1.00 0.00 C ATOM 265 CG GLN A 21 3.496 -16.649 0.297 1.00 0.00 C ATOM 266 CD GLN A 21 2.825 -17.251 -0.922 1.00 0.00 C ATOM 267 OE1 GLN A 21 3.479 -17.543 -1.924 1.00 0.00 O ATOM 268 NE2 GLN A 21 1.513 -17.440 -0.844 1.00 0.00 N ATOM 0 H GLN A 21 2.224 -13.141 1.525 1.00 0.00 H new ATOM 0 HA GLN A 21 3.698 -15.330 2.561 1.00 0.00 H new ATOM 0 HB2 GLN A 21 2.069 -15.068 0.499 1.00 0.00 H new ATOM 0 HB3 GLN A 21 3.524 -14.616 -0.367 1.00 0.00 H new ATOM 0 HG2 GLN A 21 4.577 -16.756 0.202 1.00 0.00 H new ATOM 0 HG3 GLN A 21 3.197 -17.207 1.184 1.00 0.00 H new ATOM 0 HE21 GLN A 21 1.010 -17.184 0.006 1.00 0.00 H new ATOM 0 HE22 GLN A 21 1.008 -17.842 -1.634 1.00 0.00 H new ATOM 413 N TRP A 30 3.366 -18.566 4.468 1.00 0.00 N ATOM 414 CA TRP A 30 2.711 -17.354 4.946 1.00 0.00 C ATOM 415 C TRP A 30 3.296 -16.910 6.282 1.00 0.00 C ATOM 416 O TRP A 30 3.872 -17.714 7.015 1.00 0.00 O ATOM 417 CB TRP A 30 1.205 -17.585 5.086 1.00 0.00 C ATOM 418 CG TRP A 30 0.518 -17.831 3.777 1.00 0.00 C ATOM 419 CD1 TRP A 30 0.199 -19.043 3.234 1.00 0.00 C ATOM 420 CD2 TRP A 30 0.067 -16.842 2.846 1.00 0.00 C ATOM 421 NE1 TRP A 30 -0.423 -18.867 2.022 1.00 0.00 N ATOM 422 CE2 TRP A 30 -0.517 -17.525 1.762 1.00 0.00 C ATOM 423 CE3 TRP A 30 0.097 -15.445 2.824 1.00 0.00 C ATOM 424 CZ2 TRP A 30 -1.063 -16.858 0.669 1.00 0.00 C ATOM 425 CZ3 TRP A 30 -0.445 -14.784 1.738 1.00 0.00 C ATOM 426 CH2 TRP A 30 -1.020 -15.490 0.673 1.00 0.00 C ATOM 0 HA TRP A 30 2.884 -16.565 4.215 1.00 0.00 H new ATOM 0 HB2 TRP A 30 1.035 -18.438 5.743 1.00 0.00 H new ATOM 0 HB3 TRP A 30 0.755 -16.717 5.567 1.00 0.00 H new ATOM 0 HD1 TRP A 30 0.406 -20.000 3.691 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -0.760 -19.614 1.414 1.00 0.00 H new ATOM 0 HE3 TRP A 30 0.536 -14.892 3.641 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -1.505 -17.401 -0.153 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -0.425 -13.705 1.710 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -1.437 -14.944 -0.160 1.00 0.00 H new ATOM 437 N ARG A 31 3.144 -15.627 6.593 1.00 0.00 N ATOM 438 CA ARG A 31 3.659 -15.077 7.841 1.00 0.00 C ATOM 439 C ARG A 31 2.797 -13.912 8.319 1.00 0.00 C ATOM 440 O ARG A 31 2.585 -12.944 7.588 1.00 0.00 O ATOM 441 CB ARG A 31 5.106 -14.615 7.661 1.00 0.00 C ATOM 442 CG ARG A 31 6.109 -15.756 7.615 1.00 0.00 C ATOM 443 CD ARG A 31 7.532 -15.255 7.806 1.00 0.00 C ATOM 444 NE ARG A 31 8.517 -16.311 7.590 1.00 0.00 N ATOM 445 CZ ARG A 31 8.849 -17.207 8.513 1.00 0.00 C ATOM 446 NH1 ARG A 31 8.277 -17.175 9.709 1.00 0.00 N ATOM 447 NH2 ARG A 31 9.755 -18.138 8.241 1.00 0.00 N ATOM 0 H ARG A 31 2.668 -14.949 5.998 1.00 0.00 H new ATOM 0 HA ARG A 31 3.627 -15.863 8.595 1.00 0.00 H new ATOM 0 HB2 ARG A 31 5.182 -14.038 6.739 1.00 0.00 H new ATOM 0 HB3 ARG A 31 5.369 -13.944 8.479 1.00 0.00 H new ATOM 0 HG2 ARG A 31 5.871 -16.483 8.392 1.00 0.00 H new ATOM 0 HG3 ARG A 31 6.030 -16.273 6.659 1.00 0.00 H new ATOM 0 HD2 ARG A 31 7.723 -14.434 7.115 1.00 0.00 H new ATOM 0 HD3 ARG A 31 7.644 -14.856 8.814 1.00 0.00 H new ATOM 0 HE ARG A 31 8.975 -16.364 6.680 1.00 0.00 H new ATOM 0 HH11 ARG A 31 7.580 -16.461 9.922 1.00 0.00 H new ATOM 0 HH12 ARG A 31 8.534 -17.864 10.416 1.00 0.00 H new ATOM 0 HH21 ARG A 31 10.197 -18.166 7.322 1.00 0.00 H new ATOM 0 HH22 ARG A 31 10.009 -18.825 8.951 1.00 0.00 H new ATOM 461 N ARG A 32 2.302 -14.014 9.548 1.00 0.00 N ATOM 462 CA ARG A 32 1.461 -12.970 10.122 1.00 0.00 C ATOM 463 C ARG A 32 2.299 -11.761 10.530 1.00 0.00 C ATOM 464 O ARG A 32 3.370 -11.906 11.119 1.00 0.00 O ATOM 465 CB ARG A 32 0.698 -13.508 11.333 1.00 0.00 C ATOM 466 CG ARG A 32 -0.562 -12.723 11.658 1.00 0.00 C ATOM 467 CD ARG A 32 -1.354 -13.378 12.778 1.00 0.00 C ATOM 468 NE ARG A 32 -1.844 -14.701 12.401 1.00 0.00 N ATOM 469 CZ ARG A 32 -2.852 -15.313 13.012 1.00 0.00 C ATOM 470 NH1 ARG A 32 -3.473 -14.725 14.025 1.00 0.00 N ATOM 471 NH2 ARG A 32 -3.240 -16.517 12.611 1.00 0.00 N ATOM 0 H ARG A 32 2.469 -14.809 10.165 1.00 0.00 H new ATOM 0 HA ARG A 32 0.746 -12.655 9.362 1.00 0.00 H new ATOM 0 HB2 ARG A 32 0.430 -14.549 11.150 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.357 -13.496 12.201 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -0.294 -11.707 11.947 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -1.185 -12.648 10.767 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.725 -13.463 13.664 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -2.198 -12.742 13.045 1.00 0.00 H new ATOM 0 HE ARG A 32 -1.387 -15.181 11.626 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -3.177 -13.800 14.337 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -4.247 -15.197 14.492 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -2.764 -16.973 11.833 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -4.014 -16.986 13.081 1.00 0.00 H new ATOM 485 N PHE A 33 1.803 -10.570 10.213 1.00 0.00 N ATOM 486 CA PHE A 33 2.506 -9.336 10.545 1.00 0.00 C ATOM 487 C PHE A 33 1.525 -8.254 10.986 1.00 0.00 C ATOM 488 O PHE A 33 0.676 -7.816 10.211 1.00 0.00 O ATOM 489 CB PHE A 33 3.317 -8.847 9.343 1.00 0.00 C ATOM 490 CG PHE A 33 4.293 -9.864 8.825 1.00 0.00 C ATOM 491 CD1 PHE A 33 5.259 -10.404 9.658 1.00 0.00 C ATOM 492 CD2 PHE A 33 4.244 -10.278 7.503 1.00 0.00 C ATOM 493 CE1 PHE A 33 6.158 -11.340 9.183 1.00 0.00 C ATOM 494 CE2 PHE A 33 5.141 -11.215 7.024 1.00 0.00 C ATOM 495 CZ PHE A 33 6.100 -11.745 7.864 1.00 0.00 C ATOM 0 H PHE A 33 0.917 -10.433 9.727 1.00 0.00 H new ATOM 0 HA PHE A 33 3.185 -9.545 11.372 1.00 0.00 H new ATOM 0 HB2 PHE A 33 2.632 -8.571 8.541 1.00 0.00 H new ATOM 0 HB3 PHE A 33 3.860 -7.944 9.624 1.00 0.00 H new ATOM 0 HD1 PHE A 33 5.310 -10.090 10.690 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.498 -9.865 6.841 1.00 0.00 H new ATOM 0 HE1 PHE A 33 6.906 -11.755 9.843 1.00 0.00 H new ATOM 0 HE2 PHE A 33 5.091 -11.532 5.993 1.00 0.00 H new ATOM 0 HZ PHE A 33 6.803 -12.475 7.490 1.00 0.00 H new ATOM 505 N GLY A 34 1.649 -7.826 12.239 1.00 0.00 N ATOM 506 CA GLY A 34 0.767 -6.799 12.763 1.00 0.00 C ATOM 507 C GLY A 34 0.555 -5.662 11.783 1.00 0.00 C ATOM 508 O GLY A 34 1.470 -4.885 11.516 1.00 0.00 O ATOM 0 H GLY A 34 2.344 -8.172 12.900 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.196 -7.244 13.012 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.185 -6.404 13.689 1.00 0.00 H new ATOM 512 N ALA A 35 -0.657 -5.566 11.245 1.00 0.00 N ATOM 513 CA ALA A 35 -0.987 -4.516 10.289 1.00 0.00 C ATOM 514 C ALA A 35 -1.757 -3.384 10.961 1.00 0.00 C ATOM 515 O ALA A 35 -2.526 -3.613 11.894 1.00 0.00 O ATOM 516 CB ALA A 35 -1.790 -5.090 9.131 1.00 0.00 C ATOM 0 H ALA A 35 -1.426 -6.202 11.455 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.055 -4.105 9.901 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.030 -4.295 8.425 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.204 -5.858 8.627 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.713 -5.529 9.510 1.00 0.00 H new ATOM 522 N SER A 36 -1.544 -2.163 10.481 1.00 0.00 N ATOM 523 CA SER A 36 -2.215 -0.995 11.038 1.00 0.00 C ATOM 524 C SER A 36 -2.552 0.012 9.943 1.00 0.00 C ATOM 525 O SER A 36 -1.676 0.453 9.198 1.00 0.00 O ATOM 526 CB SER A 36 -1.336 -0.335 12.102 1.00 0.00 C ATOM 527 OG SER A 36 -0.960 -1.265 13.102 1.00 0.00 O ATOM 0 H SER A 36 -0.912 -1.957 9.707 1.00 0.00 H new ATOM 0 HA SER A 36 -3.145 -1.327 11.500 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.444 0.081 11.634 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.874 0.496 12.558 1.00 0.00 H new ATOM 0 HG SER A 36 -0.398 -0.819 13.769 1.00 0.00 H new ATOM 533 N LEU A 37 -3.827 0.373 9.851 1.00 0.00 N ATOM 534 CA LEU A 37 -4.282 1.328 8.847 1.00 0.00 C ATOM 535 C LEU A 37 -4.257 2.751 9.398 1.00 0.00 C ATOM 536 O LEU A 37 -4.930 3.058 10.382 1.00 0.00 O ATOM 537 CB LEU A 37 -5.696 0.975 8.382 1.00 0.00 C ATOM 538 CG LEU A 37 -6.083 1.461 6.985 1.00 0.00 C ATOM 539 CD1 LEU A 37 -5.257 0.751 5.924 1.00 0.00 C ATOM 540 CD2 LEU A 37 -7.569 1.246 6.738 1.00 0.00 C ATOM 0 H LEU A 37 -4.564 0.018 10.460 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.602 1.275 7.997 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.807 -0.109 8.412 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.406 1.388 9.098 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.875 2.529 6.923 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.547 1.110 4.937 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.199 0.956 6.089 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.432 -0.323 5.985 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.826 1.598 5.739 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.802 0.184 6.820 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -8.145 1.802 7.478 1.00 0.00 H new ATOM 552 N TYR A 38 -3.477 3.614 8.757 1.00 0.00 N ATOM 553 CA TYR A 38 -3.363 5.004 9.183 1.00 0.00 C ATOM 554 C TYR A 38 -3.764 5.953 8.058 1.00 0.00 C ATOM 555 O TYR A 38 -3.708 5.598 6.881 1.00 0.00 O ATOM 556 CB TYR A 38 -1.934 5.305 9.635 1.00 0.00 C ATOM 557 CG TYR A 38 -1.479 4.466 10.807 1.00 0.00 C ATOM 558 CD1 TYR A 38 -1.977 4.694 12.084 1.00 0.00 C ATOM 559 CD2 TYR A 38 -0.552 3.445 10.638 1.00 0.00 C ATOM 560 CE1 TYR A 38 -1.564 3.930 13.159 1.00 0.00 C ATOM 561 CE2 TYR A 38 -0.134 2.675 11.706 1.00 0.00 C ATOM 562 CZ TYR A 38 -0.643 2.921 12.964 1.00 0.00 C ATOM 563 OH TYR A 38 -0.229 2.157 14.031 1.00 0.00 O ATOM 0 H TYR A 38 -2.914 3.376 7.940 1.00 0.00 H new ATOM 0 HA TYR A 38 -4.042 5.157 10.022 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -1.255 5.142 8.798 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -1.862 6.359 9.904 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.699 5.482 12.239 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -0.151 3.250 9.654 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.960 4.121 14.146 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.587 1.885 11.557 1.00 0.00 H new ATOM 0 HH TYR A 38 0.420 1.490 13.724 1.00 0.00 H new ATOM 573 N GLY A 39 -4.169 7.164 8.429 1.00 0.00 N ATOM 574 CA GLY A 39 -4.573 8.147 7.441 1.00 0.00 C ATOM 575 C GLY A 39 -5.672 9.059 7.947 1.00 0.00 C ATOM 576 O GLY A 39 -5.829 9.244 9.153 1.00 0.00 O ATOM 0 H GLY A 39 -4.224 7.482 9.397 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.709 8.748 7.156 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.915 7.635 6.542 1.00 0.00 H new ATOM 650 N ALA A 46 -2.095 8.390 4.098 1.00 0.00 N ATOM 651 CA ALA A 46 -2.403 7.033 4.533 1.00 0.00 C ATOM 652 C ALA A 46 -1.270 6.074 4.184 1.00 0.00 C ATOM 653 O ALA A 46 -0.698 6.143 3.096 1.00 0.00 O ATOM 654 CB ALA A 46 -3.707 6.562 3.907 1.00 0.00 C ATOM 0 HA ALA A 46 -2.515 7.042 5.617 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.925 5.547 4.240 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.517 7.225 4.211 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.615 6.575 2.821 1.00 0.00 H new ATOM 660 N ARG A 47 -0.949 5.181 5.115 1.00 0.00 N ATOM 661 CA ARG A 47 0.117 4.209 4.906 1.00 0.00 C ATOM 662 C ARG A 47 -0.103 2.967 5.765 1.00 0.00 C ATOM 663 O ARG A 47 -0.618 3.054 6.880 1.00 0.00 O ATOM 664 CB ARG A 47 1.475 4.834 5.232 1.00 0.00 C ATOM 665 CG ARG A 47 1.646 5.189 6.700 1.00 0.00 C ATOM 666 CD ARG A 47 3.103 5.454 7.044 1.00 0.00 C ATOM 667 NE ARG A 47 3.545 6.766 6.578 1.00 0.00 N ATOM 668 CZ ARG A 47 3.134 7.912 7.110 1.00 0.00 C ATOM 669 NH1 ARG A 47 2.277 7.907 8.122 1.00 0.00 N ATOM 670 NH2 ARG A 47 3.582 9.065 6.632 1.00 0.00 N ATOM 0 H ARG A 47 -1.412 5.111 6.021 1.00 0.00 H new ATOM 0 HA ARG A 47 0.103 3.911 3.858 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.264 4.141 4.940 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.604 5.735 4.632 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.050 6.071 6.934 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.267 4.375 7.319 1.00 0.00 H new ATOM 0 HD2 ARG A 47 3.238 5.388 8.124 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.728 4.681 6.597 1.00 0.00 H new ATOM 0 HE ARG A 47 4.205 6.804 5.802 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.932 7.022 8.494 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.963 8.788 8.529 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.243 9.073 5.855 1.00 0.00 H new ATOM 0 HH22 ARG A 47 3.266 9.944 7.041 1.00 0.00 H new ATOM 684 N LEU A 48 0.289 1.813 5.237 1.00 0.00 N ATOM 685 CA LEU A 48 0.135 0.552 5.955 1.00 0.00 C ATOM 686 C LEU A 48 1.452 0.124 6.593 1.00 0.00 C ATOM 687 O LEU A 48 2.455 -0.060 5.905 1.00 0.00 O ATOM 688 CB LEU A 48 -0.364 -0.539 5.006 1.00 0.00 C ATOM 689 CG LEU A 48 -1.223 -1.636 5.637 1.00 0.00 C ATOM 690 CD1 LEU A 48 -2.542 -1.063 6.131 1.00 0.00 C ATOM 691 CD2 LEU A 48 -1.468 -2.760 4.642 1.00 0.00 C ATOM 0 H LEU A 48 0.716 1.724 4.315 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.599 0.700 6.747 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.941 -0.066 4.211 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.501 -1.008 4.536 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.685 -2.045 6.492 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.140 -1.858 6.577 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.347 -0.293 6.878 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.086 -0.627 5.293 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.081 -3.532 5.108 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.985 -2.365 3.767 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.514 -3.190 4.336 1.00 0.00 H new ATOM 703 N GLU A 49 1.440 -0.036 7.913 1.00 0.00 N ATOM 704 CA GLU A 49 2.634 -0.444 8.643 1.00 0.00 C ATOM 705 C GLU A 49 2.598 -1.938 8.953 1.00 0.00 C ATOM 706 O GLU A 49 1.527 -2.523 9.122 1.00 0.00 O ATOM 707 CB GLU A 49 2.763 0.354 9.942 1.00 0.00 C ATOM 708 CG GLU A 49 3.239 1.782 9.734 1.00 0.00 C ATOM 709 CD GLU A 49 4.733 1.869 9.491 1.00 0.00 C ATOM 710 OE1 GLU A 49 5.472 1.020 10.032 1.00 0.00 O ATOM 711 OE2 GLU A 49 5.163 2.787 8.762 1.00 0.00 O ATOM 0 H GLU A 49 0.617 0.111 8.498 1.00 0.00 H new ATOM 0 HA GLU A 49 3.500 -0.241 8.013 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.796 0.372 10.445 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.459 -0.159 10.606 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.711 2.217 8.886 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.982 2.378 10.610 1.00 0.00 H new ATOM 718 N LEU A 50 3.775 -2.550 9.025 1.00 0.00 N ATOM 719 CA LEU A 50 3.880 -3.976 9.314 1.00 0.00 C ATOM 720 C LEU A 50 5.000 -4.248 10.313 1.00 0.00 C ATOM 721 O LEU A 50 5.949 -3.473 10.421 1.00 0.00 O ATOM 722 CB LEU A 50 4.129 -4.760 8.024 1.00 0.00 C ATOM 723 CG LEU A 50 3.048 -4.644 6.949 1.00 0.00 C ATOM 724 CD1 LEU A 50 3.447 -5.424 5.705 1.00 0.00 C ATOM 725 CD2 LEU A 50 1.710 -5.134 7.482 1.00 0.00 C ATOM 0 H LEU A 50 4.670 -2.081 8.887 1.00 0.00 H new ATOM 0 HA LEU A 50 2.938 -4.303 9.755 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.075 -4.427 7.597 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.248 -5.813 8.280 1.00 0.00 H new ATOM 0 HG LEU A 50 2.944 -3.594 6.677 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.666 -5.330 4.951 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.382 -5.026 5.311 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.579 -6.475 5.961 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.953 -5.044 6.703 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.798 -6.178 7.783 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.419 -4.532 8.343 1.00 0.00 H new ATOM 737 N GLN A 51 4.882 -5.356 11.038 1.00 0.00 N ATOM 738 CA GLN A 51 5.886 -5.731 12.026 1.00 0.00 C ATOM 739 C GLN A 51 6.370 -7.159 11.796 1.00 0.00 C ATOM 740 O GLN A 51 5.591 -8.108 11.878 1.00 0.00 O ATOM 741 CB GLN A 51 5.317 -5.594 13.440 1.00 0.00 C ATOM 742 CG GLN A 51 5.071 -4.154 13.859 1.00 0.00 C ATOM 743 CD GLN A 51 6.355 -3.401 14.142 1.00 0.00 C ATOM 744 OE1 GLN A 51 7.368 -3.603 13.471 1.00 0.00 O ATOM 745 NE2 GLN A 51 6.321 -2.525 15.140 1.00 0.00 N ATOM 0 H GLN A 51 4.102 -6.009 10.960 1.00 0.00 H new ATOM 0 HA GLN A 51 6.736 -5.057 11.917 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.379 -6.147 13.501 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.006 -6.057 14.147 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.519 -3.640 13.072 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.443 -4.141 14.750 1.00 0.00 H new ATOM 0 HE21 GLN A 51 5.460 -2.389 15.670 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.156 -1.988 15.376 1.00 0.00 H new ATOM 959 N LYS A 65 8.676 -2.707 7.721 1.00 0.00 N ATOM 960 CA LYS A 65 8.092 -2.884 6.397 1.00 0.00 C ATOM 961 C LYS A 65 6.790 -2.100 6.267 1.00 0.00 C ATOM 962 O LYS A 65 5.771 -2.469 6.851 1.00 0.00 O ATOM 963 CB LYS A 65 7.835 -4.368 6.124 1.00 0.00 C ATOM 964 CG LYS A 65 7.030 -4.624 4.862 1.00 0.00 C ATOM 965 CD LYS A 65 7.877 -4.445 3.614 1.00 0.00 C ATOM 966 CE LYS A 65 7.127 -4.878 2.364 1.00 0.00 C ATOM 967 NZ LYS A 65 7.182 -6.352 2.167 1.00 0.00 N ATOM 0 HA LYS A 65 8.800 -2.503 5.662 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.791 -4.885 6.046 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.308 -4.799 6.975 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.626 -5.636 4.886 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.180 -3.942 4.827 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.171 -3.400 3.519 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.794 -5.026 3.709 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.087 -4.560 2.436 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.553 -4.379 1.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.718 -6.600 1.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.174 -6.662 2.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.692 -6.826 2.953 1.00 0.00 H new ATOM 981 N VAL A 66 6.831 -1.017 5.497 1.00 0.00 N ATOM 982 CA VAL A 66 5.654 -0.183 5.288 1.00 0.00 C ATOM 983 C VAL A 66 5.336 -0.042 3.804 1.00 0.00 C ATOM 984 O VAL A 66 6.232 0.160 2.983 1.00 0.00 O ATOM 985 CB VAL A 66 5.845 1.219 5.896 1.00 0.00 C ATOM 986 CG1 VAL A 66 6.892 2.001 5.117 1.00 0.00 C ATOM 987 CG2 VAL A 66 4.522 1.970 5.929 1.00 0.00 C ATOM 0 H VAL A 66 7.667 -0.697 5.008 1.00 0.00 H new ATOM 0 HA VAL A 66 4.822 -0.678 5.789 1.00 0.00 H new ATOM 0 HB VAL A 66 6.198 1.106 6.921 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.013 2.989 5.561 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.843 1.469 5.150 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.571 2.106 4.081 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.676 2.959 6.362 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.137 2.074 4.915 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.804 1.416 6.535 1.00 0.00 H new ATOM 997 N ILE A 67 4.055 -0.150 3.466 1.00 0.00 N ATOM 998 CA ILE A 67 3.619 -0.033 2.080 1.00 0.00 C ATOM 999 C ILE A 67 2.658 1.138 1.903 1.00 0.00 C ATOM 1000 O ILE A 67 1.460 1.015 2.157 1.00 0.00 O ATOM 1001 CB ILE A 67 2.933 -1.324 1.595 1.00 0.00 C ATOM 1002 CG1 ILE A 67 3.886 -2.514 1.724 1.00 0.00 C ATOM 1003 CG2 ILE A 67 2.465 -1.166 0.156 1.00 0.00 C ATOM 1004 CD1 ILE A 67 3.178 -3.845 1.838 1.00 0.00 C ATOM 0 H ILE A 67 3.302 -0.318 4.133 1.00 0.00 H new ATOM 0 HA ILE A 67 4.513 0.140 1.481 1.00 0.00 H new ATOM 0 HB ILE A 67 2.061 -1.512 2.222 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.546 -2.536 0.857 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.517 -2.371 2.601 1.00 0.00 H new ATOM 0 HG21 ILE A 67 1.982 -2.086 -0.173 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.755 -0.341 0.093 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.322 -0.957 -0.484 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.915 -4.643 1.926 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.539 -3.843 2.721 1.00 0.00 H new ATOM 0 HD13 ILE A 67 2.569 -4.010 0.949 1.00 0.00 H new ATOM 1016 N ARG A 68 3.192 2.273 1.464 1.00 0.00 N ATOM 1017 CA ARG A 68 2.382 3.466 1.252 1.00 0.00 C ATOM 1018 C ARG A 68 1.144 3.142 0.420 1.00 0.00 C ATOM 1019 O ARG A 68 1.242 2.867 -0.777 1.00 0.00 O ATOM 1020 CB ARG A 68 3.206 4.552 0.557 1.00 0.00 C ATOM 1021 CG ARG A 68 4.403 5.020 1.369 1.00 0.00 C ATOM 1022 CD ARG A 68 3.974 5.879 2.548 1.00 0.00 C ATOM 1023 NE ARG A 68 5.011 5.958 3.574 1.00 0.00 N ATOM 1024 CZ ARG A 68 6.095 6.719 3.466 1.00 0.00 C ATOM 1025 NH1 ARG A 68 6.282 7.462 2.384 1.00 0.00 N ATOM 1026 NH2 ARG A 68 6.993 6.737 4.442 1.00 0.00 N ATOM 0 H ARG A 68 4.182 2.391 1.248 1.00 0.00 H new ATOM 0 HA ARG A 68 2.059 3.832 2.226 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.555 4.173 -0.404 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.563 5.407 0.348 1.00 0.00 H new ATOM 0 HG2 ARG A 68 4.959 4.155 1.731 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.078 5.589 0.730 1.00 0.00 H new ATOM 0 HD2 ARG A 68 3.734 6.883 2.197 1.00 0.00 H new ATOM 0 HD3 ARG A 68 3.063 5.468 2.984 1.00 0.00 H new ATOM 0 HE ARG A 68 4.897 5.399 4.419 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.593 7.450 1.632 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.115 8.045 2.304 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.852 6.167 5.276 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.825 7.321 4.359 1.00 0.00 H new ATOM 1040 N LEU A 69 -0.019 3.177 1.061 1.00 0.00 N ATOM 1041 CA LEU A 69 -1.276 2.887 0.381 1.00 0.00 C ATOM 1042 C LEU A 69 -1.382 3.668 -0.925 1.00 0.00 C ATOM 1043 O LEU A 69 -1.749 3.115 -1.962 1.00 0.00 O ATOM 1044 CB LEU A 69 -2.460 3.227 1.289 1.00 0.00 C ATOM 1045 CG LEU A 69 -2.788 2.202 2.375 1.00 0.00 C ATOM 1046 CD1 LEU A 69 -4.038 2.614 3.138 1.00 0.00 C ATOM 1047 CD2 LEU A 69 -2.965 0.818 1.767 1.00 0.00 C ATOM 0 H LEU A 69 -0.117 3.403 2.051 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.297 1.822 0.149 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.260 4.185 1.770 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.344 3.361 0.665 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.954 2.165 3.076 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.256 1.873 3.907 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.875 3.585 3.606 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.880 2.680 2.449 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.198 0.102 2.555 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.780 0.840 1.044 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.044 0.520 1.266 1.00 0.00 H new ATOM 1059 N SER A 70 -1.056 4.955 -0.867 1.00 0.00 N ATOM 1060 CA SER A 70 -1.116 5.812 -2.045 1.00 0.00 C ATOM 1061 C SER A 70 -0.333 5.200 -3.203 1.00 0.00 C ATOM 1062 O SER A 70 -0.625 5.461 -4.370 1.00 0.00 O ATOM 1063 CB SER A 70 -0.564 7.201 -1.719 1.00 0.00 C ATOM 1064 OG SER A 70 -1.014 8.162 -2.658 1.00 0.00 O ATOM 0 H SER A 70 -0.748 5.427 -0.017 1.00 0.00 H new ATOM 0 HA SER A 70 -2.160 5.904 -2.344 1.00 0.00 H new ATOM 0 HB2 SER A 70 -0.876 7.494 -0.716 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.526 7.172 -1.718 1.00 0.00 H new ATOM 0 HG SER A 70 -0.649 9.041 -2.427 1.00 0.00 H new ATOM 1070 N ASP A 71 0.662 4.386 -2.870 1.00 0.00 N ATOM 1071 CA ASP A 71 1.487 3.734 -3.881 1.00 0.00 C ATOM 1072 C ASP A 71 0.703 2.643 -4.602 1.00 0.00 C ATOM 1073 O ASP A 71 0.930 2.379 -5.783 1.00 0.00 O ATOM 1074 CB ASP A 71 2.742 3.139 -3.240 1.00 0.00 C ATOM 1075 CG ASP A 71 3.852 2.907 -4.246 1.00 0.00 C ATOM 1076 OD1 ASP A 71 3.695 2.018 -5.109 1.00 0.00 O ATOM 1077 OD2 ASP A 71 4.878 3.615 -4.171 1.00 0.00 O ATOM 0 H ASP A 71 0.917 4.162 -1.908 1.00 0.00 H new ATOM 0 HA ASP A 71 1.784 4.486 -4.612 1.00 0.00 H new ATOM 0 HB2 ASP A 71 3.099 3.809 -2.458 1.00 0.00 H new ATOM 0 HB3 ASP A 71 2.488 2.194 -2.760 1.00 0.00 H new ATOM 1082 N CYS A 72 -0.219 2.011 -3.884 1.00 0.00 N ATOM 1083 CA CYS A 72 -1.036 0.947 -4.455 1.00 0.00 C ATOM 1084 C CYS A 72 -1.572 1.348 -5.825 1.00 0.00 C ATOM 1085 O CYS A 72 -2.520 2.128 -5.929 1.00 0.00 O ATOM 1086 CB CYS A 72 -2.197 0.608 -3.519 1.00 0.00 C ATOM 1087 SG CYS A 72 -1.683 0.007 -1.893 1.00 0.00 S ATOM 0 H CYS A 72 -0.419 2.217 -2.905 1.00 0.00 H new ATOM 0 HA CYS A 72 -0.407 0.065 -4.575 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -2.815 1.496 -3.387 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -2.823 -0.148 -3.993 1.00 0.00 H new ATOM 0 HG CYS A 72 -2.321 -1.091 -1.615 1.00 0.00 H new ATOM 1093 N LEU A 73 -0.959 0.811 -6.875 1.00 0.00 N ATOM 1094 CA LEU A 73 -1.374 1.114 -8.240 1.00 0.00 C ATOM 1095 C LEU A 73 -2.747 0.520 -8.537 1.00 0.00 C ATOM 1096 O LEU A 73 -3.527 1.088 -9.301 1.00 0.00 O ATOM 1097 CB LEU A 73 -0.346 0.576 -9.237 1.00 0.00 C ATOM 1098 CG LEU A 73 1.012 1.280 -9.248 1.00 0.00 C ATOM 1099 CD1 LEU A 73 2.059 0.408 -9.923 1.00 0.00 C ATOM 1100 CD2 LEU A 73 0.907 2.628 -9.945 1.00 0.00 C ATOM 0 H LEU A 73 -0.173 0.164 -6.807 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.438 2.197 -8.342 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.183 -0.481 -9.025 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.773 0.639 -10.238 1.00 0.00 H new ATOM 0 HG LEU A 73 1.321 1.450 -8.217 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.019 0.925 -9.922 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.153 -0.533 -9.381 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.757 0.206 -10.951 1.00 0.00 H new ATOM 0 HD21 LEU A 73 1.882 3.115 -9.944 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.576 2.481 -10.973 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.188 3.255 -9.418 1.00 0.00 H new ATOM 1112 N ARG A 74 -3.035 -0.624 -7.926 1.00 0.00 N ATOM 1113 CA ARG A 74 -4.315 -1.295 -8.125 1.00 0.00 C ATOM 1114 C ARG A 74 -4.502 -2.419 -7.110 1.00 0.00 C ATOM 1115 O ARG A 74 -3.542 -3.080 -6.715 1.00 0.00 O ATOM 1116 CB ARG A 74 -4.407 -1.854 -9.545 1.00 0.00 C ATOM 1117 CG ARG A 74 -5.719 -2.563 -9.837 1.00 0.00 C ATOM 1118 CD ARG A 74 -5.653 -4.035 -9.459 1.00 0.00 C ATOM 1119 NE ARG A 74 -6.856 -4.758 -9.863 1.00 0.00 N ATOM 1120 CZ ARG A 74 -7.174 -5.005 -11.129 1.00 0.00 C ATOM 1121 NH1 ARG A 74 -6.382 -4.590 -12.108 1.00 0.00 N ATOM 1122 NH2 ARG A 74 -8.286 -5.670 -11.418 1.00 0.00 N ATOM 0 H ARG A 74 -2.400 -1.106 -7.289 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.108 -0.562 -7.980 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -4.279 -1.038 -10.256 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.584 -2.550 -9.706 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -6.525 -2.080 -9.285 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -5.957 -2.469 -10.897 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -4.781 -4.491 -9.928 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -5.520 -4.127 -8.381 1.00 0.00 H new ATOM 0 HE ARG A 74 -7.486 -5.091 -9.134 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -5.526 -4.080 -11.890 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -6.629 -4.781 -13.079 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -8.897 -5.992 -10.668 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -8.529 -5.859 -12.390 1.00 0.00 H new ATOM 1136 N VAL A 75 -5.746 -2.630 -6.692 1.00 0.00 N ATOM 1137 CA VAL A 75 -6.060 -3.675 -5.724 1.00 0.00 C ATOM 1138 C VAL A 75 -7.321 -4.433 -6.124 1.00 0.00 C ATOM 1139 O VAL A 75 -8.207 -3.884 -6.777 1.00 0.00 O ATOM 1140 CB VAL A 75 -6.252 -3.092 -4.312 1.00 0.00 C ATOM 1141 CG1 VAL A 75 -5.058 -2.234 -3.922 1.00 0.00 C ATOM 1142 CG2 VAL A 75 -7.542 -2.290 -4.237 1.00 0.00 C ATOM 0 H VAL A 75 -6.553 -2.092 -7.008 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.214 -4.362 -5.714 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.323 -3.918 -3.604 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.211 -1.830 -2.921 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.154 -2.842 -3.933 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.952 -1.414 -4.632 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.661 -1.886 -3.232 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.504 -1.471 -4.955 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.387 -2.938 -4.470 1.00 0.00 H new ATOM 1152 N ALA A 76 -7.394 -5.700 -5.727 1.00 0.00 N ATOM 1153 CA ALA A 76 -8.548 -6.533 -6.042 1.00 0.00 C ATOM 1154 C ALA A 76 -8.899 -7.448 -4.873 1.00 0.00 C ATOM 1155 O ALA A 76 -8.168 -7.516 -3.886 1.00 0.00 O ATOM 1156 CB ALA A 76 -8.280 -7.354 -7.295 1.00 0.00 C ATOM 0 H ALA A 76 -6.668 -6.171 -5.187 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.399 -5.878 -6.226 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -9.150 -7.971 -7.518 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.085 -6.685 -8.133 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.413 -7.994 -7.132 1.00 0.00 H new ATOM 1162 N GLU A 77 -10.022 -8.149 -4.993 1.00 0.00 N ATOM 1163 CA GLU A 77 -10.469 -9.059 -3.945 1.00 0.00 C ATOM 1164 C GLU A 77 -10.486 -10.500 -4.446 1.00 0.00 C ATOM 1165 O GLU A 77 -11.271 -10.854 -5.325 1.00 0.00 O ATOM 1166 CB GLU A 77 -11.863 -8.661 -3.455 1.00 0.00 C ATOM 1167 CG GLU A 77 -12.010 -7.175 -3.177 1.00 0.00 C ATOM 1168 CD GLU A 77 -12.472 -6.396 -4.394 1.00 0.00 C ATOM 1169 OE1 GLU A 77 -11.626 -6.097 -5.262 1.00 0.00 O ATOM 1170 OE2 GLU A 77 -13.679 -6.087 -4.477 1.00 0.00 O ATOM 0 H GLU A 77 -10.638 -8.104 -5.805 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.766 -8.990 -3.115 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -12.599 -8.957 -4.202 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.091 -9.216 -2.545 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -12.723 -7.030 -2.365 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -11.054 -6.777 -2.837 1.00 0.00 H new ATOM 1177 N ALA A 78 -9.614 -11.327 -3.879 1.00 0.00 N ATOM 1178 CA ALA A 78 -9.528 -12.730 -4.266 1.00 0.00 C ATOM 1179 C ALA A 78 -10.430 -13.596 -3.393 1.00 0.00 C ATOM 1180 O ALA A 78 -10.944 -13.142 -2.372 1.00 0.00 O ATOM 1181 CB ALA A 78 -8.088 -13.214 -4.184 1.00 0.00 C ATOM 0 H ALA A 78 -8.957 -11.050 -3.150 1.00 0.00 H new ATOM 0 HA ALA A 78 -9.870 -12.818 -5.297 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -8.040 -14.263 -4.476 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.466 -12.622 -4.855 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.725 -13.105 -3.162 1.00 0.00 H new ATOM 1286 N ASP A 87 -11.536 -20.870 4.111 1.00 0.00 N ATOM 1287 CA ASP A 87 -12.311 -20.132 5.101 1.00 0.00 C ATOM 1288 C ASP A 87 -11.794 -18.704 5.242 1.00 0.00 C ATOM 1289 O ASP A 87 -11.947 -18.077 6.291 1.00 0.00 O ATOM 1290 CB ASP A 87 -12.258 -20.843 6.454 1.00 0.00 C ATOM 1291 CG ASP A 87 -13.361 -20.390 7.390 1.00 0.00 C ATOM 1292 OD1 ASP A 87 -14.535 -20.729 7.132 1.00 0.00 O ATOM 1293 OD2 ASP A 87 -13.051 -19.695 8.381 1.00 0.00 O ATOM 0 HA ASP A 87 -13.346 -20.092 4.760 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -12.336 -21.919 6.299 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -11.291 -20.658 6.921 1.00 0.00 H new ATOM 1298 N THR A 88 -11.179 -18.195 4.179 1.00 0.00 N ATOM 1299 CA THR A 88 -10.637 -16.842 4.185 1.00 0.00 C ATOM 1300 C THR A 88 -10.789 -16.183 2.819 1.00 0.00 C ATOM 1301 O THR A 88 -11.246 -16.810 1.864 1.00 0.00 O ATOM 1302 CB THR A 88 -9.149 -16.835 4.583 1.00 0.00 C ATOM 1303 OG1 THR A 88 -8.397 -17.654 3.681 1.00 0.00 O ATOM 1304 CG2 THR A 88 -8.967 -17.339 6.007 1.00 0.00 C ATOM 0 H THR A 88 -11.044 -18.700 3.303 1.00 0.00 H new ATOM 0 HA THR A 88 -11.206 -16.277 4.923 1.00 0.00 H new ATOM 0 HB THR A 88 -8.786 -15.809 4.529 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.452 -17.643 3.940 1.00 0.00 H new ATOM 0 HG21 THR A 88 -7.908 -17.325 6.265 1.00 0.00 H new ATOM 0 HG22 THR A 88 -9.517 -16.695 6.694 1.00 0.00 H new ATOM 0 HG23 THR A 88 -9.346 -18.358 6.083 1.00 0.00 H new ATOM 1312 N SER A 89 -10.403 -14.914 2.733 1.00 0.00 N ATOM 1313 CA SER A 89 -10.499 -14.168 1.484 1.00 0.00 C ATOM 1314 C SER A 89 -9.261 -13.304 1.270 1.00 0.00 C ATOM 1315 O SER A 89 -9.066 -12.299 1.953 1.00 0.00 O ATOM 1316 CB SER A 89 -11.753 -13.291 1.484 1.00 0.00 C ATOM 1317 OG SER A 89 -12.913 -14.061 1.751 1.00 0.00 O ATOM 0 H SER A 89 -10.021 -14.381 3.514 1.00 0.00 H new ATOM 0 HA SER A 89 -10.566 -14.885 0.666 1.00 0.00 H new ATOM 0 HB2 SER A 89 -11.652 -12.507 2.234 1.00 0.00 H new ATOM 0 HB3 SER A 89 -11.855 -12.797 0.518 1.00 0.00 H new ATOM 0 HG SER A 89 -13.701 -13.478 1.747 1.00 0.00 H new ATOM 1323 N ALA A 90 -8.426 -13.702 0.315 1.00 0.00 N ATOM 1324 CA ALA A 90 -7.207 -12.964 0.009 1.00 0.00 C ATOM 1325 C ALA A 90 -7.501 -11.771 -0.895 1.00 0.00 C ATOM 1326 O ALA A 90 -8.513 -11.744 -1.594 1.00 0.00 O ATOM 1327 CB ALA A 90 -6.184 -13.882 -0.642 1.00 0.00 C ATOM 0 H ALA A 90 -8.572 -14.532 -0.260 1.00 0.00 H new ATOM 0 HA ALA A 90 -6.796 -12.586 0.945 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -5.279 -13.318 -0.865 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -5.944 -14.699 0.038 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.595 -14.288 -1.566 1.00 0.00 H new ATOM 1333 N PHE A 91 -6.609 -10.786 -0.875 1.00 0.00 N ATOM 1334 CA PHE A 91 -6.773 -9.589 -1.691 1.00 0.00 C ATOM 1335 C PHE A 91 -5.498 -9.284 -2.472 1.00 0.00 C ATOM 1336 O PHE A 91 -4.401 -9.667 -2.065 1.00 0.00 O ATOM 1337 CB PHE A 91 -7.144 -8.394 -0.812 1.00 0.00 C ATOM 1338 CG PHE A 91 -6.073 -8.016 0.171 1.00 0.00 C ATOM 1339 CD1 PHE A 91 -5.901 -8.740 1.340 1.00 0.00 C ATOM 1340 CD2 PHE A 91 -5.237 -6.939 -0.075 1.00 0.00 C ATOM 1341 CE1 PHE A 91 -4.917 -8.394 2.246 1.00 0.00 C ATOM 1342 CE2 PHE A 91 -4.251 -6.589 0.827 1.00 0.00 C ATOM 1343 CZ PHE A 91 -4.090 -7.318 1.989 1.00 0.00 C ATOM 0 H PHE A 91 -5.765 -10.793 -0.302 1.00 0.00 H new ATOM 0 HA PHE A 91 -7.579 -9.772 -2.402 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -7.359 -7.537 -1.450 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -8.060 -8.624 -0.268 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -6.543 -9.584 1.545 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -5.358 -6.366 -0.983 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -4.795 -8.965 3.155 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -3.607 -5.746 0.624 1.00 0.00 H new ATOM 0 HZ PHE A 91 -3.319 -7.047 2.695 1.00 0.00 H new ATOM 1353 N PHE A 92 -5.651 -8.593 -3.597 1.00 0.00 N ATOM 1354 CA PHE A 92 -4.513 -8.238 -4.437 1.00 0.00 C ATOM 1355 C PHE A 92 -3.977 -6.857 -4.070 1.00 0.00 C ATOM 1356 O PHE A 92 -4.742 -5.949 -3.742 1.00 0.00 O ATOM 1357 CB PHE A 92 -4.913 -8.267 -5.913 1.00 0.00 C ATOM 1358 CG PHE A 92 -4.778 -9.624 -6.544 1.00 0.00 C ATOM 1359 CD1 PHE A 92 -3.531 -10.123 -6.885 1.00 0.00 C ATOM 1360 CD2 PHE A 92 -5.898 -10.400 -6.795 1.00 0.00 C ATOM 1361 CE1 PHE A 92 -3.405 -11.370 -7.467 1.00 0.00 C ATOM 1362 CE2 PHE A 92 -5.778 -11.648 -7.376 1.00 0.00 C ATOM 1363 CZ PHE A 92 -4.529 -12.134 -7.711 1.00 0.00 C ATOM 0 H PHE A 92 -6.552 -8.268 -3.948 1.00 0.00 H new ATOM 0 HA PHE A 92 -3.725 -8.971 -4.267 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.946 -7.932 -6.008 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -4.296 -7.556 -6.463 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.648 -9.531 -6.694 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -6.876 -10.025 -6.533 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -2.428 -11.747 -7.731 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -6.659 -12.242 -7.568 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.432 -13.110 -8.163 1.00 0.00 H new ATOM 1373 N LEU A 93 -2.659 -6.706 -4.128 1.00 0.00 N ATOM 1374 CA LEU A 93 -2.019 -5.436 -3.802 1.00 0.00 C ATOM 1375 C LEU A 93 -0.842 -5.165 -4.734 1.00 0.00 C ATOM 1376 O LEU A 93 0.215 -5.782 -4.609 1.00 0.00 O ATOM 1377 CB LEU A 93 -1.543 -5.441 -2.349 1.00 0.00 C ATOM 1378 CG LEU A 93 -1.502 -4.080 -1.651 1.00 0.00 C ATOM 1379 CD1 LEU A 93 -0.945 -4.219 -0.243 1.00 0.00 C ATOM 1380 CD2 LEU A 93 -0.675 -3.091 -2.460 1.00 0.00 C ATOM 0 H LEU A 93 -2.012 -7.447 -4.398 1.00 0.00 H new ATOM 0 HA LEU A 93 -2.754 -4.642 -3.934 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.195 -6.101 -1.776 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.543 -5.874 -2.317 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.520 -3.698 -1.580 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.923 -3.241 0.238 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.578 -4.893 0.334 1.00 0.00 H new ATOM 0 HD13 LEU A 93 0.066 -4.623 -0.290 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.657 -2.128 -1.949 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.343 -3.467 -2.563 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.118 -2.969 -3.448 1.00 0.00 H new ATOM 1392 N GLU A 94 -1.033 -4.235 -5.665 1.00 0.00 N ATOM 1393 CA GLU A 94 0.014 -3.882 -6.616 1.00 0.00 C ATOM 1394 C GLU A 94 0.657 -2.548 -6.247 1.00 0.00 C ATOM 1395 O GLU A 94 -0.035 -1.561 -5.994 1.00 0.00 O ATOM 1396 CB GLU A 94 -0.557 -3.810 -8.034 1.00 0.00 C ATOM 1397 CG GLU A 94 0.504 -3.859 -9.121 1.00 0.00 C ATOM 1398 CD GLU A 94 -0.091 -3.936 -10.514 1.00 0.00 C ATOM 1399 OE1 GLU A 94 -1.226 -4.441 -10.648 1.00 0.00 O ATOM 1400 OE2 GLU A 94 0.578 -3.492 -11.469 1.00 0.00 O ATOM 0 H GLU A 94 -1.902 -3.713 -5.780 1.00 0.00 H new ATOM 0 HA GLU A 94 0.779 -4.657 -6.579 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -1.252 -4.637 -8.179 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.131 -2.889 -8.139 1.00 0.00 H new ATOM 0 HG2 GLU A 94 1.135 -2.973 -9.048 1.00 0.00 H new ATOM 0 HG3 GLU A 94 1.148 -4.723 -8.957 1.00 0.00 H new ATOM 1407 N THR A 95 1.986 -2.526 -6.217 1.00 0.00 N ATOM 1408 CA THR A 95 2.723 -1.315 -5.877 1.00 0.00 C ATOM 1409 C THR A 95 3.854 -1.064 -6.868 1.00 0.00 C ATOM 1410 O THR A 95 4.490 -2.001 -7.352 1.00 0.00 O ATOM 1411 CB THR A 95 3.309 -1.395 -4.456 1.00 0.00 C ATOM 1412 OG1 THR A 95 4.217 -2.499 -4.361 1.00 0.00 O ATOM 1413 CG2 THR A 95 2.204 -1.551 -3.422 1.00 0.00 C ATOM 0 H THR A 95 2.574 -3.333 -6.424 1.00 0.00 H new ATOM 0 HA THR A 95 2.013 -0.489 -5.923 1.00 0.00 H new ATOM 0 HB THR A 95 3.844 -0.467 -4.256 1.00 0.00 H new ATOM 0 HG1 THR A 95 3.934 -3.209 -4.974 1.00 0.00 H new ATOM 0 HG21 THR A 95 2.643 -1.605 -2.426 1.00 0.00 H new ATOM 0 HG22 THR A 95 1.532 -0.695 -3.476 1.00 0.00 H new ATOM 0 HG23 THR A 95 1.645 -2.465 -3.622 1.00 0.00 H new ATOM 1421 N LYS A 96 4.101 0.207 -7.167 1.00 0.00 N ATOM 1422 CA LYS A 96 5.157 0.584 -8.099 1.00 0.00 C ATOM 1423 C LYS A 96 6.347 -0.363 -7.983 1.00 0.00 C ATOM 1424 O LYS A 96 6.979 -0.704 -8.982 1.00 0.00 O ATOM 1425 CB LYS A 96 5.608 2.022 -7.837 1.00 0.00 C ATOM 1426 CG LYS A 96 4.571 3.064 -8.219 1.00 0.00 C ATOM 1427 CD LYS A 96 5.048 4.470 -7.895 1.00 0.00 C ATOM 1428 CE LYS A 96 4.052 5.519 -8.367 1.00 0.00 C ATOM 1429 NZ LYS A 96 4.695 6.849 -8.554 1.00 0.00 N ATOM 0 H LYS A 96 3.583 0.994 -6.777 1.00 0.00 H new ATOM 0 HA LYS A 96 4.757 0.515 -9.111 1.00 0.00 H new ATOM 0 HB2 LYS A 96 5.848 2.132 -6.779 1.00 0.00 H new ATOM 0 HB3 LYS A 96 6.525 2.213 -8.394 1.00 0.00 H new ATOM 0 HG2 LYS A 96 4.354 2.989 -9.284 1.00 0.00 H new ATOM 0 HG3 LYS A 96 3.640 2.863 -7.689 1.00 0.00 H new ATOM 0 HD2 LYS A 96 5.197 4.566 -6.820 1.00 0.00 H new ATOM 0 HD3 LYS A 96 6.014 4.646 -8.368 1.00 0.00 H new ATOM 0 HE2 LYS A 96 3.603 5.197 -9.307 1.00 0.00 H new ATOM 0 HE3 LYS A 96 3.244 5.605 -7.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 3.984 7.536 -8.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 5.101 7.168 -7.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 5.450 6.773 -9.266 1.00 0.00 H new ATOM 1443 N GLU A 97 6.646 -0.784 -6.758 1.00 0.00 N ATOM 1444 CA GLU A 97 7.760 -1.692 -6.513 1.00 0.00 C ATOM 1445 C GLU A 97 7.482 -3.068 -7.111 1.00 0.00 C ATOM 1446 O GLU A 97 8.150 -3.493 -8.054 1.00 0.00 O ATOM 1447 CB GLU A 97 8.023 -1.820 -5.011 1.00 0.00 C ATOM 1448 CG GLU A 97 9.418 -2.321 -4.678 1.00 0.00 C ATOM 1449 CD GLU A 97 9.572 -2.687 -3.214 1.00 0.00 C ATOM 1450 OE1 GLU A 97 8.976 -1.995 -2.363 1.00 0.00 O ATOM 1451 OE2 GLU A 97 10.289 -3.667 -2.921 1.00 0.00 O ATOM 0 H GLU A 97 6.132 -0.511 -5.920 1.00 0.00 H new ATOM 0 HA GLU A 97 8.645 -1.277 -6.995 1.00 0.00 H new ATOM 0 HB2 GLU A 97 7.873 -0.848 -4.540 1.00 0.00 H new ATOM 0 HB3 GLU A 97 7.289 -2.500 -4.579 1.00 0.00 H new ATOM 0 HG2 GLU A 97 9.643 -3.193 -5.292 1.00 0.00 H new ATOM 0 HG3 GLU A 97 10.147 -1.553 -4.935 1.00 0.00 H new ATOM 1458 N ARG A 98 6.493 -3.760 -6.555 1.00 0.00 N ATOM 1459 CA ARG A 98 6.127 -5.088 -7.031 1.00 0.00 C ATOM 1460 C ARG A 98 4.712 -5.452 -6.592 1.00 0.00 C ATOM 1461 O ARG A 98 4.010 -4.642 -5.986 1.00 0.00 O ATOM 1462 CB ARG A 98 7.118 -6.130 -6.511 1.00 0.00 C ATOM 1463 CG ARG A 98 7.177 -6.210 -4.994 1.00 0.00 C ATOM 1464 CD ARG A 98 8.112 -7.317 -4.530 1.00 0.00 C ATOM 1465 NE ARG A 98 9.488 -6.849 -4.391 1.00 0.00 N ATOM 1466 CZ ARG A 98 10.460 -7.574 -3.848 1.00 0.00 C ATOM 1467 NH1 ARG A 98 10.207 -8.794 -3.396 1.00 0.00 N ATOM 1468 NH2 ARG A 98 11.687 -7.078 -3.757 1.00 0.00 N ATOM 0 H ARG A 98 5.931 -3.422 -5.774 1.00 0.00 H new ATOM 0 HA ARG A 98 6.159 -5.078 -8.120 1.00 0.00 H new ATOM 0 HB2 ARG A 98 6.846 -7.108 -6.908 1.00 0.00 H new ATOM 0 HB3 ARG A 98 8.112 -5.897 -6.893 1.00 0.00 H new ATOM 0 HG2 ARG A 98 7.514 -5.255 -4.591 1.00 0.00 H new ATOM 0 HG3 ARG A 98 6.177 -6.388 -4.599 1.00 0.00 H new ATOM 0 HD2 ARG A 98 7.764 -7.708 -3.574 1.00 0.00 H new ATOM 0 HD3 ARG A 98 8.080 -8.141 -5.243 1.00 0.00 H new ATOM 0 HE ARG A 98 9.716 -5.914 -4.729 1.00 0.00 H new ATOM 0 HH11 ARG A 98 9.265 -9.178 -3.465 1.00 0.00 H new ATOM 0 HH12 ARG A 98 10.955 -9.349 -2.980 1.00 0.00 H new ATOM 0 HH21 ARG A 98 11.885 -6.139 -4.104 1.00 0.00 H new ATOM 0 HH22 ARG A 98 12.433 -7.635 -3.340 1.00 0.00 H new ATOM 1482 N LEU A 99 4.298 -6.676 -6.903 1.00 0.00 N ATOM 1483 CA LEU A 99 2.966 -7.148 -6.542 1.00 0.00 C ATOM 1484 C LEU A 99 3.024 -8.052 -5.315 1.00 0.00 C ATOM 1485 O LEU A 99 3.726 -9.064 -5.309 1.00 0.00 O ATOM 1486 CB LEU A 99 2.335 -7.900 -7.714 1.00 0.00 C ATOM 1487 CG LEU A 99 0.946 -8.489 -7.464 1.00 0.00 C ATOM 1488 CD1 LEU A 99 -0.122 -7.414 -7.596 1.00 0.00 C ATOM 1489 CD2 LEU A 99 0.671 -9.636 -8.426 1.00 0.00 C ATOM 0 H LEU A 99 4.866 -7.359 -7.404 1.00 0.00 H new ATOM 0 HA LEU A 99 2.352 -6.280 -6.303 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.272 -7.220 -8.564 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.005 -8.710 -8.003 1.00 0.00 H new ATOM 0 HG LEU A 99 0.917 -8.879 -6.447 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -1.104 -7.852 -7.415 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.064 -6.625 -6.867 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -0.092 -6.993 -8.601 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.322 -10.043 -8.233 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.720 -9.270 -9.452 1.00 0.00 H new ATOM 0 HD23 LEU A 99 1.417 -10.418 -8.283 1.00 0.00 H new ATOM 1501 N TYR A 100 2.280 -7.682 -4.278 1.00 0.00 N ATOM 1502 CA TYR A 100 2.246 -8.460 -3.045 1.00 0.00 C ATOM 1503 C TYR A 100 0.899 -9.156 -2.877 1.00 0.00 C ATOM 1504 O TYR A 100 -0.152 -8.514 -2.895 1.00 0.00 O ATOM 1505 CB TYR A 100 2.520 -7.557 -1.841 1.00 0.00 C ATOM 1506 CG TYR A 100 3.888 -6.914 -1.865 1.00 0.00 C ATOM 1507 CD1 TYR A 100 4.997 -7.573 -1.349 1.00 0.00 C ATOM 1508 CD2 TYR A 100 4.071 -5.646 -2.405 1.00 0.00 C ATOM 1509 CE1 TYR A 100 6.248 -6.988 -1.368 1.00 0.00 C ATOM 1510 CE2 TYR A 100 5.319 -5.055 -2.430 1.00 0.00 C ATOM 1511 CZ TYR A 100 6.404 -5.729 -1.910 1.00 0.00 C ATOM 1512 OH TYR A 100 7.650 -5.144 -1.932 1.00 0.00 O ATOM 0 H TYR A 100 1.692 -6.848 -4.267 1.00 0.00 H new ATOM 0 HA TYR A 100 3.023 -9.222 -3.104 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.761 -6.775 -1.804 1.00 0.00 H new ATOM 0 HB3 TYR A 100 2.419 -8.143 -0.928 1.00 0.00 H new ATOM 0 HD1 TYR A 100 4.879 -8.560 -0.926 1.00 0.00 H new ATOM 0 HD2 TYR A 100 3.223 -5.114 -2.812 1.00 0.00 H new ATOM 0 HE1 TYR A 100 7.099 -7.513 -0.961 1.00 0.00 H new ATOM 0 HE2 TYR A 100 5.445 -4.070 -2.855 1.00 0.00 H new ATOM 0 HH TYR A 100 8.337 -5.840 -1.995 1.00 0.00 H new ATOM 1522 N LEU A 101 0.939 -10.474 -2.714 1.00 0.00 N ATOM 1523 CA LEU A 101 -0.278 -11.261 -2.541 1.00 0.00 C ATOM 1524 C LEU A 101 -0.477 -11.641 -1.078 1.00 0.00 C ATOM 1525 O LEU A 101 0.078 -12.631 -0.601 1.00 0.00 O ATOM 1526 CB LEU A 101 -0.220 -12.522 -3.404 1.00 0.00 C ATOM 1527 CG LEU A 101 -1.463 -13.411 -3.378 1.00 0.00 C ATOM 1528 CD1 LEU A 101 -2.686 -12.633 -3.841 1.00 0.00 C ATOM 1529 CD2 LEU A 101 -1.255 -14.645 -4.244 1.00 0.00 C ATOM 0 H LEU A 101 1.800 -11.020 -2.698 1.00 0.00 H new ATOM 0 HA LEU A 101 -1.124 -10.651 -2.857 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -0.033 -12.224 -4.436 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.635 -13.118 -3.084 1.00 0.00 H new ATOM 0 HG LEU A 101 -1.632 -13.736 -2.351 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -3.561 -13.282 -3.816 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -2.847 -11.781 -3.180 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.527 -12.278 -4.859 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -2.150 -15.266 -4.213 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -1.060 -14.339 -5.272 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.405 -15.215 -3.868 1.00 0.00 H new ATOM 1541 N LEU A 102 -1.275 -10.849 -0.370 1.00 0.00 N ATOM 1542 CA LEU A 102 -1.551 -11.104 1.040 1.00 0.00 C ATOM 1543 C LEU A 102 -2.902 -11.790 1.215 1.00 0.00 C ATOM 1544 O LEU A 102 -3.726 -11.802 0.302 1.00 0.00 O ATOM 1545 CB LEU A 102 -1.526 -9.794 1.829 1.00 0.00 C ATOM 1546 CG LEU A 102 -0.156 -9.135 1.994 1.00 0.00 C ATOM 1547 CD1 LEU A 102 0.145 -8.227 0.811 1.00 0.00 C ATOM 1548 CD2 LEU A 102 -0.093 -8.354 3.298 1.00 0.00 C ATOM 0 H LEU A 102 -1.742 -10.025 -0.749 1.00 0.00 H new ATOM 0 HA LEU A 102 -0.775 -11.767 1.423 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -2.191 -9.084 1.337 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.938 -9.983 2.820 1.00 0.00 H new ATOM 0 HG LEU A 102 0.601 -9.918 2.027 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.124 -7.767 0.946 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.143 -8.814 -0.108 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.616 -7.449 0.746 1.00 0.00 H new ATOM 0 HD21 LEU A 102 0.889 -7.892 3.398 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -0.860 -7.579 3.296 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -0.263 -9.030 4.136 1.00 0.00 H new ATOM 1560 N ALA A 103 -3.121 -12.360 2.396 1.00 0.00 N ATOM 1561 CA ALA A 103 -4.373 -13.045 2.692 1.00 0.00 C ATOM 1562 C ALA A 103 -5.067 -12.423 3.899 1.00 0.00 C ATOM 1563 O ALA A 103 -4.417 -12.030 4.867 1.00 0.00 O ATOM 1564 CB ALA A 103 -4.120 -14.526 2.933 1.00 0.00 C ATOM 0 H ALA A 103 -2.448 -12.361 3.162 1.00 0.00 H new ATOM 0 HA ALA A 103 -5.031 -12.935 1.830 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -5.064 -15.025 3.153 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.674 -14.969 2.042 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -3.441 -14.646 3.777 1.00 0.00 H new ATOM 1570 N ALA A 104 -6.392 -12.335 3.833 1.00 0.00 N ATOM 1571 CA ALA A 104 -7.174 -11.760 4.921 1.00 0.00 C ATOM 1572 C ALA A 104 -8.451 -12.559 5.160 1.00 0.00 C ATOM 1573 O ALA A 104 -8.979 -13.214 4.261 1.00 0.00 O ATOM 1574 CB ALA A 104 -7.506 -10.306 4.622 1.00 0.00 C ATOM 0 H ALA A 104 -6.946 -12.654 3.038 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.574 -11.804 5.830 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -8.090 -9.890 5.443 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -6.583 -9.738 4.509 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -8.084 -10.247 3.699 1.00 0.00 H new ATOM 1580 N PRO A 105 -8.960 -12.505 6.399 1.00 0.00 N ATOM 1581 CA PRO A 105 -10.182 -13.218 6.785 1.00 0.00 C ATOM 1582 C PRO A 105 -11.429 -12.621 6.141 1.00 0.00 C ATOM 1583 O PRO A 105 -11.688 -11.424 6.260 1.00 0.00 O ATOM 1584 CB PRO A 105 -10.230 -13.044 8.305 1.00 0.00 C ATOM 1585 CG PRO A 105 -9.461 -11.795 8.567 1.00 0.00 C ATOM 1586 CD PRO A 105 -8.383 -11.744 7.520 1.00 0.00 C ATOM 0 HA PRO A 105 -10.166 -14.259 6.462 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -11.256 -12.959 8.662 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -9.785 -13.898 8.816 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -10.107 -10.919 8.505 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -9.032 -11.804 9.569 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -8.151 -10.719 7.232 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.456 -12.193 7.876 1.00 0.00 H new ATOM 1594 N ALA A 106 -12.198 -13.463 5.459 1.00 0.00 N ATOM 1595 CA ALA A 106 -13.419 -13.019 4.799 1.00 0.00 C ATOM 1596 C ALA A 106 -14.185 -12.029 5.670 1.00 0.00 C ATOM 1597 O ALA A 106 -14.957 -11.212 5.166 1.00 0.00 O ATOM 1598 CB ALA A 106 -14.298 -14.212 4.455 1.00 0.00 C ATOM 0 H ALA A 106 -11.997 -14.457 5.349 1.00 0.00 H new ATOM 0 HA ALA A 106 -13.139 -12.511 3.876 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -15.206 -13.865 3.963 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -13.757 -14.882 3.787 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -14.562 -14.745 5.368 1.00 0.00 H new ATOM 1604 N ALA A 107 -13.967 -12.107 6.978 1.00 0.00 N ATOM 1605 CA ALA A 107 -14.636 -11.217 7.919 1.00 0.00 C ATOM 1606 C ALA A 107 -14.088 -9.798 7.816 1.00 0.00 C ATOM 1607 O ALA A 107 -14.848 -8.837 7.701 1.00 0.00 O ATOM 1608 CB ALA A 107 -14.487 -11.741 9.339 1.00 0.00 C ATOM 0 H ALA A 107 -13.332 -12.778 7.411 1.00 0.00 H new ATOM 0 HA ALA A 107 -15.695 -11.189 7.664 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -14.991 -11.066 10.031 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -14.933 -12.733 9.409 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -13.429 -11.800 9.596 1.00 0.00 H new ATOM 1614 N GLU A 108 -12.765 -9.674 7.859 1.00 0.00 N ATOM 1615 CA GLU A 108 -12.117 -8.371 7.772 1.00 0.00 C ATOM 1616 C GLU A 108 -12.006 -7.914 6.320 1.00 0.00 C ATOM 1617 O GLU A 108 -12.300 -6.764 5.997 1.00 0.00 O ATOM 1618 CB GLU A 108 -10.727 -8.425 8.409 1.00 0.00 C ATOM 1619 CG GLU A 108 -10.719 -9.031 9.803 1.00 0.00 C ATOM 1620 CD GLU A 108 -10.962 -8.000 10.888 1.00 0.00 C ATOM 1621 OE1 GLU A 108 -10.048 -7.190 11.152 1.00 0.00 O ATOM 1622 OE2 GLU A 108 -12.064 -8.004 11.474 1.00 0.00 O ATOM 0 H GLU A 108 -12.122 -10.460 7.954 1.00 0.00 H new ATOM 0 HA GLU A 108 -12.730 -7.652 8.315 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -10.064 -9.005 7.766 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -10.320 -7.415 8.459 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -11.485 -9.804 9.863 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -9.760 -9.518 9.978 1.00 0.00 H new ATOM 1629 N ARG A 109 -11.578 -8.824 5.451 1.00 0.00 N ATOM 1630 CA ARG A 109 -11.426 -8.515 4.034 1.00 0.00 C ATOM 1631 C ARG A 109 -12.500 -7.534 3.574 1.00 0.00 C ATOM 1632 O ARG A 109 -12.194 -6.444 3.091 1.00 0.00 O ATOM 1633 CB ARG A 109 -11.499 -9.796 3.201 1.00 0.00 C ATOM 1634 CG ARG A 109 -10.809 -9.684 1.851 1.00 0.00 C ATOM 1635 CD ARG A 109 -11.684 -8.966 0.836 1.00 0.00 C ATOM 1636 NE ARG A 109 -12.982 -9.617 0.674 1.00 0.00 N ATOM 1637 CZ ARG A 109 -14.043 -9.019 0.144 1.00 0.00 C ATOM 1638 NH1 ARG A 109 -13.961 -7.764 -0.275 1.00 0.00 N ATOM 1639 NH2 ARG A 109 -15.189 -9.678 0.030 1.00 0.00 N ATOM 0 H ARG A 109 -11.330 -9.781 5.703 1.00 0.00 H new ATOM 0 HA ARG A 109 -10.450 -8.052 3.891 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -11.047 -10.612 3.764 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -12.545 -10.058 3.044 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -9.868 -9.147 1.966 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -10.565 -10.680 1.482 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -11.833 -7.934 1.152 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -11.172 -8.934 -0.126 1.00 0.00 H new ATOM 0 HE ARG A 109 -13.079 -10.584 0.985 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -13.081 -7.255 -0.191 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -14.778 -7.308 -0.682 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -15.256 -10.644 0.349 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -16.003 -9.218 -0.377 1.00 0.00 H new ATOM 1653 N GLY A 110 -13.761 -7.929 3.726 1.00 0.00 N ATOM 1654 CA GLY A 110 -14.860 -7.073 3.320 1.00 0.00 C ATOM 1655 C GLY A 110 -14.587 -5.608 3.595 1.00 0.00 C ATOM 1656 O GLY A 110 -14.679 -4.773 2.695 1.00 0.00 O ATOM 0 H GLY A 110 -14.040 -8.826 4.123 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -15.049 -7.210 2.255 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -15.765 -7.376 3.846 1.00 0.00 H new ATOM 1660 N ASP A 111 -14.250 -5.294 4.841 1.00 0.00 N ATOM 1661 CA ASP A 111 -13.963 -3.919 5.232 1.00 0.00 C ATOM 1662 C ASP A 111 -12.603 -3.476 4.701 1.00 0.00 C ATOM 1663 O ASP A 111 -12.470 -2.389 4.138 1.00 0.00 O ATOM 1664 CB ASP A 111 -13.999 -3.781 6.755 1.00 0.00 C ATOM 1665 CG ASP A 111 -15.392 -3.488 7.277 1.00 0.00 C ATOM 1666 OD1 ASP A 111 -16.251 -4.392 7.217 1.00 0.00 O ATOM 1667 OD2 ASP A 111 -15.622 -2.354 7.746 1.00 0.00 O ATOM 0 H ASP A 111 -14.169 -5.973 5.598 1.00 0.00 H new ATOM 0 HA ASP A 111 -14.729 -3.277 4.799 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -13.630 -4.701 7.209 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -13.324 -2.982 7.061 1.00 0.00 H new ATOM 1672 N TRP A 112 -11.597 -4.323 4.885 1.00 0.00 N ATOM 1673 CA TRP A 112 -10.247 -4.018 4.425 1.00 0.00 C ATOM 1674 C TRP A 112 -10.272 -3.412 3.027 1.00 0.00 C ATOM 1675 O TRP A 112 -10.046 -2.214 2.855 1.00 0.00 O ATOM 1676 CB TRP A 112 -9.386 -5.283 4.431 1.00 0.00 C ATOM 1677 CG TRP A 112 -8.695 -5.525 5.738 1.00 0.00 C ATOM 1678 CD1 TRP A 112 -8.726 -6.670 6.482 1.00 0.00 C ATOM 1679 CD2 TRP A 112 -7.872 -4.600 6.457 1.00 0.00 C ATOM 1680 NE1 TRP A 112 -7.972 -6.512 7.620 1.00 0.00 N ATOM 1681 CE2 TRP A 112 -7.436 -5.252 7.627 1.00 0.00 C ATOM 1682 CE3 TRP A 112 -7.458 -3.285 6.225 1.00 0.00 C ATOM 1683 CZ2 TRP A 112 -6.610 -4.632 8.561 1.00 0.00 C ATOM 1684 CZ3 TRP A 112 -6.638 -2.671 7.152 1.00 0.00 C ATOM 1685 CH2 TRP A 112 -6.221 -3.344 8.308 1.00 0.00 C ATOM 0 H TRP A 112 -11.690 -5.226 5.349 1.00 0.00 H new ATOM 0 HA TRP A 112 -9.813 -3.288 5.109 1.00 0.00 H new ATOM 0 HB2 TRP A 112 -10.014 -6.142 4.196 1.00 0.00 H new ATOM 0 HB3 TRP A 112 -8.638 -5.209 3.641 1.00 0.00 H new ATOM 0 HD1 TRP A 112 -9.264 -7.568 6.215 1.00 0.00 H new ATOM 0 HE1 TRP A 112 -7.834 -7.219 8.342 1.00 0.00 H new ATOM 0 HE3 TRP A 112 -7.774 -2.758 5.337 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 -6.288 -5.149 9.453 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 -6.313 -1.655 6.983 1.00 0.00 H new ATOM 0 HH2 TRP A 112 -5.580 -2.837 9.014 1.00 0.00 H new ATOM 1696 N VAL A 113 -10.550 -4.246 2.030 1.00 0.00 N ATOM 1697 CA VAL A 113 -10.606 -3.790 0.646 1.00 0.00 C ATOM 1698 C VAL A 113 -11.319 -2.447 0.537 1.00 0.00 C ATOM 1699 O VAL A 113 -10.826 -1.523 -0.109 1.00 0.00 O ATOM 1700 CB VAL A 113 -11.324 -4.814 -0.253 1.00 0.00 C ATOM 1701 CG1 VAL A 113 -11.425 -4.295 -1.680 1.00 0.00 C ATOM 1702 CG2 VAL A 113 -10.605 -6.154 -0.214 1.00 0.00 C ATOM 0 H VAL A 113 -10.740 -5.240 2.155 1.00 0.00 H new ATOM 0 HA VAL A 113 -9.576 -3.679 0.308 1.00 0.00 H new ATOM 0 HB VAL A 113 -12.335 -4.959 0.128 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -11.935 -5.032 -2.300 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -11.988 -3.362 -1.689 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -10.424 -4.119 -2.075 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -11.126 -6.865 -0.855 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -9.582 -6.028 -0.568 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -10.591 -6.530 0.809 1.00 0.00 H new ATOM 1712 N GLN A 114 -12.481 -2.347 1.175 1.00 0.00 N ATOM 1713 CA GLN A 114 -13.262 -1.116 1.150 1.00 0.00 C ATOM 1714 C GLN A 114 -12.423 0.070 1.614 1.00 0.00 C ATOM 1715 O GLN A 114 -12.198 1.016 0.860 1.00 0.00 O ATOM 1716 CB GLN A 114 -14.502 -1.256 2.034 1.00 0.00 C ATOM 1717 CG GLN A 114 -15.601 -0.259 1.703 1.00 0.00 C ATOM 1718 CD GLN A 114 -16.983 -0.777 2.048 1.00 0.00 C ATOM 1719 OE1 GLN A 114 -17.220 -1.986 2.061 1.00 0.00 O ATOM 1720 NE2 GLN A 114 -17.904 0.136 2.332 1.00 0.00 N ATOM 0 H GLN A 114 -12.902 -3.103 1.715 1.00 0.00 H new ATOM 0 HA GLN A 114 -13.576 -0.935 0.122 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -14.897 -2.267 1.933 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -14.211 -1.130 3.077 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -15.419 0.669 2.245 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -15.562 -0.020 0.640 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -17.664 1.127 2.309 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -18.852 -0.154 2.573 1.00 0.00 H new ATOM 1729 N ALA A 115 -11.964 0.012 2.860 1.00 0.00 N ATOM 1730 CA ALA A 115 -11.149 1.081 3.424 1.00 0.00 C ATOM 1731 C ALA A 115 -9.917 1.344 2.564 1.00 0.00 C ATOM 1732 O ALA A 115 -9.705 2.463 2.094 1.00 0.00 O ATOM 1733 CB ALA A 115 -10.737 0.736 4.847 1.00 0.00 C ATOM 0 H ALA A 115 -12.143 -0.764 3.498 1.00 0.00 H new ATOM 0 HA ALA A 115 -11.749 1.991 3.442 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -10.129 1.543 5.256 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -11.627 0.605 5.462 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -10.159 -0.188 4.845 1.00 0.00 H new ATOM 1739 N ILE A 116 -9.109 0.309 2.363 1.00 0.00 N ATOM 1740 CA ILE A 116 -7.899 0.429 1.560 1.00 0.00 C ATOM 1741 C ILE A 116 -8.184 1.137 0.239 1.00 0.00 C ATOM 1742 O ILE A 116 -7.527 2.120 -0.105 1.00 0.00 O ATOM 1743 CB ILE A 116 -7.278 -0.949 1.267 1.00 0.00 C ATOM 1744 CG1 ILE A 116 -6.718 -1.563 2.552 1.00 0.00 C ATOM 1745 CG2 ILE A 116 -6.188 -0.826 0.213 1.00 0.00 C ATOM 1746 CD1 ILE A 116 -6.344 -3.022 2.411 1.00 0.00 C ATOM 0 H ILE A 116 -9.271 -0.623 2.745 1.00 0.00 H new ATOM 0 HA ILE A 116 -7.192 1.020 2.142 1.00 0.00 H new ATOM 0 HB ILE A 116 -8.056 -1.607 0.881 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -5.838 -0.999 2.861 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -7.457 -1.461 3.346 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -5.759 -1.809 0.017 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -6.615 -0.426 -0.707 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -5.408 -0.155 0.573 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -5.955 -3.391 3.360 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -7.226 -3.598 2.132 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -5.582 -3.129 1.639 1.00 0.00 H new ATOM 1758 N CYS A 117 -9.169 0.631 -0.495 1.00 0.00 N ATOM 1759 CA CYS A 117 -9.543 1.215 -1.779 1.00 0.00 C ATOM 1760 C CYS A 117 -10.047 2.644 -1.600 1.00 0.00 C ATOM 1761 O CYS A 117 -9.947 3.467 -2.510 1.00 0.00 O ATOM 1762 CB CYS A 117 -10.617 0.364 -2.456 1.00 0.00 C ATOM 1763 SG CYS A 117 -10.728 0.602 -4.245 1.00 0.00 S ATOM 0 H CYS A 117 -9.723 -0.182 -0.224 1.00 0.00 H new ATOM 0 HA CYS A 117 -8.656 1.238 -2.412 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -10.414 -0.687 -2.252 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -11.584 0.595 -2.009 1.00 0.00 H new ATOM 0 HG CYS A 117 -11.663 -0.162 -4.727 1.00 0.00 H new ATOM 1769 N LEU A 118 -10.590 2.931 -0.422 1.00 0.00 N ATOM 1770 CA LEU A 118 -11.112 4.260 -0.123 1.00 0.00 C ATOM 1771 C LEU A 118 -9.977 5.244 0.138 1.00 0.00 C ATOM 1772 O LEU A 118 -10.079 6.427 -0.190 1.00 0.00 O ATOM 1773 CB LEU A 118 -12.043 4.203 1.089 1.00 0.00 C ATOM 1774 CG LEU A 118 -13.510 3.887 0.795 1.00 0.00 C ATOM 1775 CD1 LEU A 118 -14.222 3.431 2.060 1.00 0.00 C ATOM 1776 CD2 LEU A 118 -14.207 5.100 0.197 1.00 0.00 C ATOM 0 H LEU A 118 -10.680 2.261 0.342 1.00 0.00 H new ATOM 0 HA LEU A 118 -11.676 4.606 -0.989 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -11.662 3.451 1.780 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -11.995 5.162 1.604 1.00 0.00 H new ATOM 0 HG LEU A 118 -13.548 3.075 0.068 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -15.265 3.211 1.831 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -13.738 2.534 2.447 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -14.174 4.221 2.809 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -15.250 4.857 -0.006 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -14.158 5.931 0.900 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -13.713 5.382 -0.733 1.00 0.00 H new ATOM 1788 N LEU A 119 -8.895 4.749 0.728 1.00 0.00 N ATOM 1789 CA LEU A 119 -7.738 5.584 1.031 1.00 0.00 C ATOM 1790 C LEU A 119 -6.712 5.524 -0.096 1.00 0.00 C ATOM 1791 O LEU A 119 -6.422 6.532 -0.739 1.00 0.00 O ATOM 1792 CB LEU A 119 -7.095 5.141 2.346 1.00 0.00 C ATOM 1793 CG LEU A 119 -7.707 5.721 3.622 1.00 0.00 C ATOM 1794 CD1 LEU A 119 -7.224 4.953 4.843 1.00 0.00 C ATOM 1795 CD2 LEU A 119 -7.368 7.199 3.751 1.00 0.00 C ATOM 0 H LEU A 119 -8.795 3.773 1.006 1.00 0.00 H new ATOM 0 HA LEU A 119 -8.081 6.614 1.130 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -7.146 4.054 2.404 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -6.039 5.409 2.319 1.00 0.00 H new ATOM 0 HG LEU A 119 -8.791 5.621 3.561 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -7.670 5.380 5.741 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -7.517 3.907 4.754 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -6.138 5.021 4.909 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -7.811 7.596 4.664 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -6.286 7.322 3.790 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -7.764 7.739 2.891 1.00 0.00 H new ATOM 1807 N ALA A 120 -6.168 4.335 -0.331 1.00 0.00 N ATOM 1808 CA ALA A 120 -5.178 4.142 -1.383 1.00 0.00 C ATOM 1809 C ALA A 120 -5.594 4.854 -2.666 1.00 0.00 C ATOM 1810 O ALA A 120 -4.765 5.446 -3.356 1.00 0.00 O ATOM 1811 CB ALA A 120 -4.968 2.658 -1.645 1.00 0.00 C ATOM 0 H ALA A 120 -6.396 3.490 0.193 1.00 0.00 H new ATOM 0 HA ALA A 120 -4.237 4.577 -1.046 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -4.226 2.529 -2.433 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -4.617 2.174 -0.734 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -5.910 2.207 -1.956 1.00 0.00 H new ATOM 1817 N PHE A 121 -6.884 4.791 -2.980 1.00 0.00 N ATOM 1818 CA PHE A 121 -7.410 5.428 -4.181 1.00 0.00 C ATOM 1819 C PHE A 121 -8.279 6.630 -3.823 1.00 0.00 C ATOM 1820 O PHE A 121 -9.339 6.841 -4.412 1.00 0.00 O ATOM 1821 CB PHE A 121 -8.222 4.425 -5.003 1.00 0.00 C ATOM 1822 CG PHE A 121 -7.475 3.158 -5.309 1.00 0.00 C ATOM 1823 CD1 PHE A 121 -7.128 2.281 -4.294 1.00 0.00 C ATOM 1824 CD2 PHE A 121 -7.121 2.844 -6.611 1.00 0.00 C ATOM 1825 CE1 PHE A 121 -6.441 1.114 -4.572 1.00 0.00 C ATOM 1826 CE2 PHE A 121 -6.435 1.678 -6.895 1.00 0.00 C ATOM 1827 CZ PHE A 121 -6.093 0.813 -5.874 1.00 0.00 C ATOM 0 H PHE A 121 -7.584 4.305 -2.419 1.00 0.00 H new ATOM 0 HA PHE A 121 -6.566 5.776 -4.776 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -9.135 4.178 -4.461 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -8.524 4.894 -5.939 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -7.397 2.512 -3.274 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -7.384 3.518 -7.413 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -6.177 0.439 -3.772 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -6.167 1.444 -7.915 1.00 0.00 H new ATOM 0 HZ PHE A 121 -5.554 -0.097 -6.093 1.00 0.00 H new