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 Set 1.1: A 36 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= 1.09 K(o=1.1,f=-0.007) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0.00067) USER MOD Single : A 65 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0689) USER MOD Single : A 70 SER OG : rot -25:sc= 0.316 USER MOD Single : A 72 CYS SG : rot 180:sc= -2.77! USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= -0.163 USER MOD Single : A 95 THR OG1 : rot -29:sc= 1.14 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 180:sc= -0.228 USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 119 N VAL A 13 -7.350 4.068 12.135 1.00 0.00 N ATOM 120 CA VAL A 13 -8.773 3.910 11.862 1.00 0.00 C ATOM 121 C VAL A 13 -9.198 2.451 11.985 1.00 0.00 C ATOM 122 O VAL A 13 -10.238 2.142 12.567 1.00 0.00 O ATOM 123 CB VAL A 13 -9.136 4.422 10.456 1.00 0.00 C ATOM 124 CG1 VAL A 13 -10.614 4.205 10.173 1.00 0.00 C ATOM 125 CG2 VAL A 13 -8.767 5.891 10.313 1.00 0.00 C ATOM 0 HA VAL A 13 -9.305 4.504 12.605 1.00 0.00 H new ATOM 0 HB VAL A 13 -8.564 3.854 9.723 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -10.851 4.573 9.175 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -10.843 3.141 10.231 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -11.209 4.745 10.910 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.030 6.237 9.313 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.311 6.477 11.054 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.695 6.014 10.469 1.00 0.00 H new ATOM 135 N LYS A 14 -8.386 1.556 11.434 1.00 0.00 N ATOM 136 CA LYS A 14 -8.674 0.127 11.482 1.00 0.00 C ATOM 137 C LYS A 14 -7.403 -0.677 11.733 1.00 0.00 C ATOM 138 O LYS A 14 -6.343 -0.362 11.193 1.00 0.00 O ATOM 139 CB LYS A 14 -9.328 -0.326 10.175 1.00 0.00 C ATOM 140 CG LYS A 14 -9.767 -1.780 10.187 1.00 0.00 C ATOM 141 CD LYS A 14 -10.193 -2.246 8.804 1.00 0.00 C ATOM 142 CE LYS A 14 -10.277 -3.762 8.728 1.00 0.00 C ATOM 143 NZ LYS A 14 -11.515 -4.282 9.372 1.00 0.00 N ATOM 0 H LYS A 14 -7.522 1.795 10.948 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.363 -0.052 12.307 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -10.194 0.305 9.974 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.626 -0.174 9.355 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -8.949 -2.405 10.547 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.595 -1.905 10.885 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -11.163 -1.814 8.556 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -9.483 -1.882 8.062 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -10.252 -4.075 7.684 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -9.404 -4.199 9.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -11.535 -5.319 9.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.528 -4.005 10.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -12.348 -3.885 8.893 1.00 0.00 H new ATOM 157 N GLN A 15 -7.518 -1.716 12.554 1.00 0.00 N ATOM 158 CA GLN A 15 -6.376 -2.565 12.874 1.00 0.00 C ATOM 159 C GLN A 15 -6.713 -4.036 12.652 1.00 0.00 C ATOM 160 O GLN A 15 -7.868 -4.443 12.767 1.00 0.00 O ATOM 161 CB GLN A 15 -5.940 -2.343 14.323 1.00 0.00 C ATOM 162 CG GLN A 15 -5.496 -0.918 14.614 1.00 0.00 C ATOM 163 CD GLN A 15 -5.459 -0.609 16.097 1.00 0.00 C ATOM 164 OE1 GLN A 15 -4.389 -0.531 16.700 1.00 0.00 O ATOM 165 NE2 GLN A 15 -6.632 -0.432 16.695 1.00 0.00 N ATOM 0 H GLN A 15 -8.389 -1.990 13.009 1.00 0.00 H new ATOM 0 HA GLN A 15 -5.556 -2.294 12.209 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -6.767 -2.600 14.986 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -5.122 -3.024 14.556 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -4.506 -0.756 14.188 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -6.173 -0.222 14.119 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -7.495 -0.506 16.157 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -6.669 -0.222 17.693 1.00 0.00 H new ATOM 174 N GLY A 16 -5.694 -4.829 12.332 1.00 0.00 N ATOM 175 CA GLY A 16 -5.903 -6.246 12.098 1.00 0.00 C ATOM 176 C GLY A 16 -4.633 -6.957 11.674 1.00 0.00 C ATOM 177 O GLY A 16 -3.682 -6.323 11.216 1.00 0.00 O ATOM 0 H GLY A 16 -4.729 -4.515 12.231 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -6.288 -6.708 13.007 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.663 -6.376 11.327 1.00 0.00 H new ATOM 181 N PHE A 17 -4.616 -8.277 11.827 1.00 0.00 N ATOM 182 CA PHE A 17 -3.452 -9.074 11.459 1.00 0.00 C ATOM 183 C PHE A 17 -3.529 -9.506 9.997 1.00 0.00 C ATOM 184 O PHE A 17 -4.564 -9.984 9.533 1.00 0.00 O ATOM 185 CB PHE A 17 -3.345 -10.305 12.361 1.00 0.00 C ATOM 186 CG PHE A 17 -3.167 -9.970 13.814 1.00 0.00 C ATOM 187 CD1 PHE A 17 -2.061 -9.254 14.243 1.00 0.00 C ATOM 188 CD2 PHE A 17 -4.105 -10.372 14.751 1.00 0.00 C ATOM 189 CE1 PHE A 17 -1.894 -8.943 15.580 1.00 0.00 C ATOM 190 CE2 PHE A 17 -3.944 -10.064 16.089 1.00 0.00 C ATOM 191 CZ PHE A 17 -2.837 -9.350 16.504 1.00 0.00 C ATOM 0 H PHE A 17 -5.395 -8.817 12.203 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.563 -8.457 11.591 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.244 -10.911 12.244 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.504 -10.915 12.031 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.320 -8.935 13.525 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.972 -10.932 14.433 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.028 -8.383 15.901 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.683 -10.382 16.809 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.709 -9.110 17.549 1.00 0.00 H new ATOM 201 N LEU A 18 -2.426 -9.333 9.277 1.00 0.00 N ATOM 202 CA LEU A 18 -2.367 -9.703 7.867 1.00 0.00 C ATOM 203 C LEU A 18 -1.281 -10.747 7.624 1.00 0.00 C ATOM 204 O LEU A 18 -0.246 -10.748 8.290 1.00 0.00 O ATOM 205 CB LEU A 18 -2.104 -8.467 7.005 1.00 0.00 C ATOM 206 CG LEU A 18 -3.284 -7.511 6.826 1.00 0.00 C ATOM 207 CD1 LEU A 18 -2.839 -6.240 6.120 1.00 0.00 C ATOM 208 CD2 LEU A 18 -4.406 -8.188 6.051 1.00 0.00 C ATOM 0 H LEU A 18 -1.561 -8.939 9.646 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.329 -10.134 7.589 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.276 -7.912 7.445 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.778 -8.799 6.019 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.661 -7.241 7.813 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.692 -5.572 6.001 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.070 -5.745 6.713 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.436 -6.491 5.139 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.237 -7.493 5.933 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.041 -8.487 5.069 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.744 -9.069 6.596 1.00 0.00 H new ATOM 220 N TYR A 19 -1.524 -11.632 6.664 1.00 0.00 N ATOM 221 CA TYR A 19 -0.568 -12.682 6.332 1.00 0.00 C ATOM 222 C TYR A 19 0.107 -12.400 4.993 1.00 0.00 C ATOM 223 O TYR A 19 -0.559 -12.144 3.990 1.00 0.00 O ATOM 224 CB TYR A 19 -1.266 -14.042 6.288 1.00 0.00 C ATOM 225 CG TYR A 19 -2.354 -14.198 7.326 1.00 0.00 C ATOM 226 CD1 TYR A 19 -2.041 -14.398 8.664 1.00 0.00 C ATOM 227 CD2 TYR A 19 -3.696 -14.145 6.968 1.00 0.00 C ATOM 228 CE1 TYR A 19 -3.032 -14.542 9.616 1.00 0.00 C ATOM 229 CE2 TYR A 19 -4.693 -14.287 7.913 1.00 0.00 C ATOM 230 CZ TYR A 19 -4.357 -14.486 9.235 1.00 0.00 C ATOM 231 OH TYR A 19 -5.347 -14.627 10.180 1.00 0.00 O ATOM 0 H TYR A 19 -2.375 -11.643 6.102 1.00 0.00 H new ATOM 0 HA TYR A 19 0.197 -12.700 7.108 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.697 -14.188 5.297 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -0.523 -14.827 6.431 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -1.005 -14.442 8.966 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.964 -13.990 5.933 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.771 -14.697 10.652 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.731 -14.242 7.618 1.00 0.00 H new ATOM 0 HH TYR A 19 -6.224 -14.562 9.747 1.00 0.00 H new ATOM 241 N LEU A 20 1.435 -12.449 4.986 1.00 0.00 N ATOM 242 CA LEU A 20 2.203 -12.200 3.771 1.00 0.00 C ATOM 243 C LEU A 20 2.984 -13.443 3.357 1.00 0.00 C ATOM 244 O LEU A 20 3.746 -14.000 4.146 1.00 0.00 O ATOM 245 CB LEU A 20 3.162 -11.028 3.982 1.00 0.00 C ATOM 246 CG LEU A 20 4.101 -10.711 2.817 1.00 0.00 C ATOM 247 CD1 LEU A 20 3.312 -10.528 1.530 1.00 0.00 C ATOM 248 CD2 LEU A 20 4.926 -9.468 3.120 1.00 0.00 C ATOM 0 H LEU A 20 2.002 -12.659 5.808 1.00 0.00 H new ATOM 0 HA LEU A 20 1.504 -11.950 2.973 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.573 -10.137 4.200 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.767 -11.234 4.865 1.00 0.00 H new ATOM 0 HG LEU A 20 4.782 -11.552 2.685 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.997 -10.303 0.712 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.766 -11.444 1.305 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.607 -9.705 1.649 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.588 -9.257 2.280 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.261 -8.619 3.279 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.521 -9.636 4.018 1.00 0.00 H new ATOM 260 N GLN A 21 2.791 -13.870 2.113 1.00 0.00 N ATOM 261 CA GLN A 21 3.479 -15.046 1.594 1.00 0.00 C ATOM 262 C GLN A 21 4.868 -14.682 1.081 1.00 0.00 C ATOM 263 O GLN A 21 5.005 -13.991 0.071 1.00 0.00 O ATOM 264 CB GLN A 21 2.661 -15.688 0.472 1.00 0.00 C ATOM 265 CG GLN A 21 2.853 -17.192 0.363 1.00 0.00 C ATOM 266 CD GLN A 21 2.049 -17.803 -0.768 1.00 0.00 C ATOM 267 OE1 GLN A 21 2.598 -18.176 -1.805 1.00 0.00 O ATOM 268 NE2 GLN A 21 0.739 -17.908 -0.574 1.00 0.00 N ATOM 0 H GLN A 21 2.164 -13.419 1.446 1.00 0.00 H new ATOM 0 HA GLN A 21 3.588 -15.761 2.410 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.605 -15.476 0.637 1.00 0.00 H new ATOM 0 HB3 GLN A 21 2.935 -15.225 -0.476 1.00 0.00 H new ATOM 0 HG2 GLN A 21 3.910 -17.409 0.211 1.00 0.00 H new ATOM 0 HG3 GLN A 21 2.564 -17.660 1.304 1.00 0.00 H new ATOM 0 HE21 GLN A 21 0.326 -17.586 0.301 1.00 0.00 H new ATOM 0 HE22 GLN A 21 0.147 -18.311 -1.300 1.00 0.00 H new ATOM 413 N TRP A 30 2.941 -18.206 4.356 1.00 0.00 N ATOM 414 CA TRP A 30 2.246 -17.112 5.025 1.00 0.00 C ATOM 415 C TRP A 30 2.945 -16.738 6.327 1.00 0.00 C ATOM 416 O TRP A 30 3.640 -17.558 6.927 1.00 0.00 O ATOM 417 CB TRP A 30 0.793 -17.499 5.304 1.00 0.00 C ATOM 418 CG TRP A 30 -0.033 -17.646 4.062 1.00 0.00 C ATOM 419 CD1 TRP A 30 -0.673 -18.772 3.632 1.00 0.00 C ATOM 420 CD2 TRP A 30 -0.304 -16.631 3.089 1.00 0.00 C ATOM 421 NE1 TRP A 30 -1.327 -18.519 2.450 1.00 0.00 N ATOM 422 CE2 TRP A 30 -1.116 -17.213 2.096 1.00 0.00 C ATOM 423 CE3 TRP A 30 0.059 -15.288 2.961 1.00 0.00 C ATOM 424 CZ2 TRP A 30 -1.569 -16.496 0.991 1.00 0.00 C ATOM 425 CZ3 TRP A 30 -0.391 -14.578 1.864 1.00 0.00 C ATOM 426 CH2 TRP A 30 -1.199 -15.183 0.891 1.00 0.00 C ATOM 0 HA TRP A 30 2.263 -16.245 4.364 1.00 0.00 H new ATOM 0 HB2 TRP A 30 0.775 -18.438 5.857 1.00 0.00 H new ATOM 0 HB3 TRP A 30 0.340 -16.743 5.945 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -0.667 -19.722 4.145 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -1.880 -19.194 1.922 1.00 0.00 H new ATOM 0 HE3 TRP A 30 0.680 -14.813 3.706 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -2.190 -16.960 0.240 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -0.116 -13.539 1.754 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -1.536 -14.601 0.046 1.00 0.00 H new ATOM 437 N ARG A 31 2.756 -15.495 6.759 1.00 0.00 N ATOM 438 CA ARG A 31 3.370 -15.013 7.990 1.00 0.00 C ATOM 439 C ARG A 31 2.545 -13.885 8.604 1.00 0.00 C ATOM 440 O ARG A 31 2.243 -12.893 7.941 1.00 0.00 O ATOM 441 CB ARG A 31 4.795 -14.528 7.719 1.00 0.00 C ATOM 442 CG ARG A 31 5.842 -15.624 7.825 1.00 0.00 C ATOM 443 CD ARG A 31 7.230 -15.048 8.062 1.00 0.00 C ATOM 444 NE ARG A 31 8.281 -16.024 7.790 1.00 0.00 N ATOM 445 CZ ARG A 31 8.687 -16.932 8.670 1.00 0.00 C ATOM 446 NH1 ARG A 31 8.132 -16.988 9.873 1.00 0.00 N ATOM 447 NH2 ARG A 31 9.650 -17.786 8.348 1.00 0.00 N ATOM 0 H ARG A 31 2.183 -14.804 6.275 1.00 0.00 H new ATOM 0 HA ARG A 31 3.404 -15.841 8.697 1.00 0.00 H new ATOM 0 HB2 ARG A 31 4.838 -14.092 6.721 1.00 0.00 H new ATOM 0 HB3 ARG A 31 5.040 -13.734 8.424 1.00 0.00 H new ATOM 0 HG2 ARG A 31 5.583 -16.299 8.641 1.00 0.00 H new ATOM 0 HG3 ARG A 31 5.844 -16.216 6.910 1.00 0.00 H new ATOM 0 HD2 ARG A 31 7.373 -14.174 7.426 1.00 0.00 H new ATOM 0 HD3 ARG A 31 7.310 -14.708 9.094 1.00 0.00 H new ATOM 0 HE ARG A 31 8.728 -16.008 6.873 1.00 0.00 H new ATOM 0 HH11 ARG A 31 7.392 -16.333 10.124 1.00 0.00 H new ATOM 0 HH12 ARG A 31 8.445 -17.686 10.547 1.00 0.00 H new ATOM 0 HH21 ARG A 31 10.079 -17.746 7.424 1.00 0.00 H new ATOM 0 HH22 ARG A 31 9.961 -18.483 9.025 1.00 0.00 H new ATOM 461 N ARG A 32 2.183 -14.046 9.872 1.00 0.00 N ATOM 462 CA ARG A 32 1.392 -13.043 10.574 1.00 0.00 C ATOM 463 C ARG A 32 2.235 -11.812 10.895 1.00 0.00 C ATOM 464 O ARG A 32 3.357 -11.927 11.390 1.00 0.00 O ATOM 465 CB ARG A 32 0.813 -13.629 11.864 1.00 0.00 C ATOM 466 CG ARG A 32 -0.401 -12.878 12.383 1.00 0.00 C ATOM 467 CD ARG A 32 -0.877 -13.439 13.714 1.00 0.00 C ATOM 468 NE ARG A 32 -0.014 -13.031 14.819 1.00 0.00 N ATOM 469 CZ ARG A 32 0.058 -13.682 15.975 1.00 0.00 C ATOM 470 NH1 ARG A 32 -0.678 -14.767 16.175 1.00 0.00 N ATOM 471 NH2 ARG A 32 0.867 -13.249 16.933 1.00 0.00 N ATOM 0 H ARG A 32 2.425 -14.862 10.434 1.00 0.00 H new ATOM 0 HA ARG A 32 0.573 -12.741 9.921 1.00 0.00 H new ATOM 0 HB2 ARG A 32 0.539 -14.669 11.689 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.586 -13.628 12.632 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -0.155 -11.823 12.499 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -1.207 -12.939 11.652 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.896 -13.102 13.906 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.906 -14.527 13.659 1.00 0.00 H new ATOM 0 HE ARG A 32 0.565 -12.201 14.697 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -1.301 -15.103 15.441 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -0.621 -15.265 17.063 1.00 0.00 H new ATOM 0 HH21 ARG A 32 1.435 -12.415 16.783 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.921 -13.750 17.820 1.00 0.00 H new ATOM 485 N PHE A 33 1.688 -10.635 10.610 1.00 0.00 N ATOM 486 CA PHE A 33 2.390 -9.384 10.867 1.00 0.00 C ATOM 487 C PHE A 33 1.410 -8.281 11.257 1.00 0.00 C ATOM 488 O PHE A 33 0.532 -7.911 10.478 1.00 0.00 O ATOM 489 CB PHE A 33 3.188 -8.959 9.632 1.00 0.00 C ATOM 490 CG PHE A 33 4.320 -9.889 9.302 1.00 0.00 C ATOM 491 CD1 PHE A 33 5.298 -10.173 10.242 1.00 0.00 C ATOM 492 CD2 PHE A 33 4.407 -10.479 8.051 1.00 0.00 C ATOM 493 CE1 PHE A 33 6.341 -11.029 9.941 1.00 0.00 C ATOM 494 CE2 PHE A 33 5.447 -11.336 7.745 1.00 0.00 C ATOM 495 CZ PHE A 33 6.416 -11.611 8.690 1.00 0.00 C ATOM 0 H PHE A 33 0.761 -10.522 10.201 1.00 0.00 H new ATOM 0 HA PHE A 33 3.077 -9.546 11.697 1.00 0.00 H new ATOM 0 HB2 PHE A 33 2.515 -8.900 8.777 1.00 0.00 H new ATOM 0 HB3 PHE A 33 3.586 -7.957 9.793 1.00 0.00 H new ATOM 0 HD1 PHE A 33 5.245 -9.720 11.221 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.654 -10.267 7.307 1.00 0.00 H new ATOM 0 HE1 PHE A 33 7.096 -11.243 10.683 1.00 0.00 H new ATOM 0 HE2 PHE A 33 5.502 -11.791 6.767 1.00 0.00 H new ATOM 0 HZ PHE A 33 7.230 -12.279 8.452 1.00 0.00 H new ATOM 505 N GLY A 34 1.568 -7.758 12.470 1.00 0.00 N ATOM 506 CA GLY A 34 0.691 -6.704 12.943 1.00 0.00 C ATOM 507 C GLY A 34 0.519 -5.592 11.926 1.00 0.00 C ATOM 508 O GLY A 34 1.382 -4.725 11.794 1.00 0.00 O ATOM 0 H GLY A 34 2.288 -8.046 13.133 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.285 -7.127 13.182 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.093 -6.288 13.867 1.00 0.00 H new ATOM 512 N ALA A 35 -0.596 -5.618 11.205 1.00 0.00 N ATOM 513 CA ALA A 35 -0.878 -4.605 10.196 1.00 0.00 C ATOM 514 C ALA A 35 -1.846 -3.554 10.728 1.00 0.00 C ATOM 515 O ALA A 35 -2.912 -3.884 11.247 1.00 0.00 O ATOM 516 CB ALA A 35 -1.439 -5.254 8.939 1.00 0.00 C ATOM 0 H ALA A 35 -1.320 -6.330 11.301 1.00 0.00 H new ATOM 0 HA ALA A 35 0.058 -4.105 9.947 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.645 -4.486 8.194 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.712 -5.961 8.539 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.362 -5.780 9.182 1.00 0.00 H new ATOM 522 N SER A 36 -1.466 -2.287 10.597 1.00 0.00 N ATOM 523 CA SER A 36 -2.299 -1.187 11.069 1.00 0.00 C ATOM 524 C SER A 36 -2.711 -0.282 9.912 1.00 0.00 C ATOM 525 O SER A 36 -1.882 0.114 9.092 1.00 0.00 O ATOM 526 CB SER A 36 -1.553 -0.372 12.128 1.00 0.00 C ATOM 527 OG SER A 36 -1.286 -1.155 13.279 1.00 0.00 O ATOM 0 H SER A 36 -0.587 -1.997 10.168 1.00 0.00 H new ATOM 0 HA SER A 36 -3.199 -1.611 11.514 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.617 0.000 11.712 1.00 0.00 H new ATOM 0 HB3 SER A 36 -2.147 0.499 12.406 1.00 0.00 H new ATOM 0 HG SER A 36 -0.807 -0.612 13.940 1.00 0.00 H new ATOM 533 N LEU A 37 -3.998 0.042 9.852 1.00 0.00 N ATOM 534 CA LEU A 37 -4.523 0.901 8.796 1.00 0.00 C ATOM 535 C LEU A 37 -4.539 2.360 9.239 1.00 0.00 C ATOM 536 O LEU A 37 -5.326 2.748 10.103 1.00 0.00 O ATOM 537 CB LEU A 37 -5.934 0.458 8.406 1.00 0.00 C ATOM 538 CG LEU A 37 -6.423 0.911 7.029 1.00 0.00 C ATOM 539 CD1 LEU A 37 -5.548 0.325 5.933 1.00 0.00 C ATOM 540 CD2 LEU A 37 -7.877 0.514 6.823 1.00 0.00 C ATOM 0 H LEU A 37 -4.697 -0.277 10.522 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.869 0.811 7.929 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.975 -0.631 8.444 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.631 0.830 9.157 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.353 1.998 6.979 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.911 0.658 4.961 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.520 0.659 6.071 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.585 -0.763 5.981 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.208 0.844 5.838 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.972 -0.570 6.893 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -8.494 0.983 7.589 1.00 0.00 H new ATOM 552 N TYR A 38 -3.668 3.165 8.640 1.00 0.00 N ATOM 553 CA TYR A 38 -3.583 4.582 8.972 1.00 0.00 C ATOM 554 C TYR A 38 -4.054 5.444 7.806 1.00 0.00 C ATOM 555 O TYR A 38 -3.662 5.228 6.660 1.00 0.00 O ATOM 556 CB TYR A 38 -2.147 4.953 9.348 1.00 0.00 C ATOM 557 CG TYR A 38 -1.608 4.170 10.525 1.00 0.00 C ATOM 558 CD1 TYR A 38 -2.034 4.442 11.819 1.00 0.00 C ATOM 559 CD2 TYR A 38 -0.672 3.160 10.342 1.00 0.00 C ATOM 560 CE1 TYR A 38 -1.544 3.730 12.897 1.00 0.00 C ATOM 561 CE2 TYR A 38 -0.177 2.443 11.413 1.00 0.00 C ATOM 562 CZ TYR A 38 -0.616 2.731 12.689 1.00 0.00 C ATOM 563 OH TYR A 38 -0.124 2.020 13.759 1.00 0.00 O ATOM 0 H TYR A 38 -3.011 2.860 7.922 1.00 0.00 H new ATOM 0 HA TYR A 38 -4.235 4.769 9.825 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -1.500 4.788 8.486 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -2.104 6.017 9.580 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.761 5.223 11.985 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -0.326 2.932 9.345 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.886 3.954 13.897 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.550 1.661 11.253 1.00 0.00 H new ATOM 0 HH TYR A 38 0.519 1.353 13.440 1.00 0.00 H new ATOM 573 N GLY A 39 -4.899 6.426 8.107 1.00 0.00 N ATOM 574 CA GLY A 39 -5.411 7.308 7.075 1.00 0.00 C ATOM 575 C GLY A 39 -6.347 8.365 7.626 1.00 0.00 C ATOM 576 O GLY A 39 -6.390 8.596 8.834 1.00 0.00 O ATOM 0 H GLY A 39 -5.238 6.626 9.048 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.576 7.794 6.570 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.937 6.717 6.325 1.00 0.00 H new ATOM 650 N ALA A 46 -1.946 8.603 4.632 1.00 0.00 N ATOM 651 CA ALA A 46 -2.286 7.186 4.613 1.00 0.00 C ATOM 652 C ALA A 46 -1.049 6.328 4.370 1.00 0.00 C ATOM 653 O ALA A 46 -0.208 6.659 3.534 1.00 0.00 O ATOM 654 CB ALA A 46 -3.340 6.909 3.552 1.00 0.00 C ATOM 0 HA ALA A 46 -2.693 6.923 5.589 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.584 5.847 3.550 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.238 7.487 3.772 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.955 7.195 2.573 1.00 0.00 H new ATOM 660 N ARG A 47 -0.945 5.226 5.105 1.00 0.00 N ATOM 661 CA ARG A 47 0.191 4.321 4.969 1.00 0.00 C ATOM 662 C ARG A 47 -0.027 3.049 5.783 1.00 0.00 C ATOM 663 O ARG A 47 -0.527 3.097 6.907 1.00 0.00 O ATOM 664 CB ARG A 47 1.478 5.014 5.420 1.00 0.00 C ATOM 665 CG ARG A 47 1.446 5.476 6.868 1.00 0.00 C ATOM 666 CD ARG A 47 2.805 5.986 7.321 1.00 0.00 C ATOM 667 NE ARG A 47 3.294 7.068 6.472 1.00 0.00 N ATOM 668 CZ ARG A 47 4.468 7.666 6.646 1.00 0.00 C ATOM 669 NH1 ARG A 47 5.268 7.288 7.633 1.00 0.00 N ATOM 670 NH2 ARG A 47 4.843 8.644 5.832 1.00 0.00 N ATOM 0 H ARG A 47 -1.633 4.938 5.801 1.00 0.00 H new ATOM 0 HA ARG A 47 0.283 4.048 3.918 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.316 4.330 5.284 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.662 5.875 4.777 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.703 6.266 6.983 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.135 4.650 7.508 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.736 6.336 8.351 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.522 5.165 7.311 1.00 0.00 H new ATOM 0 HE ARG A 47 2.702 7.382 5.703 1.00 0.00 H new ATOM 0 HH11 ARG A 47 4.983 6.537 8.261 1.00 0.00 H new ATOM 0 HH12 ARG A 47 6.169 7.749 7.764 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.230 8.938 5.072 1.00 0.00 H new ATOM 0 HH22 ARG A 47 5.744 9.102 5.967 1.00 0.00 H new ATOM 684 N LEU A 48 0.351 1.913 5.207 1.00 0.00 N ATOM 685 CA LEU A 48 0.196 0.627 5.878 1.00 0.00 C ATOM 686 C LEU A 48 1.510 0.184 6.514 1.00 0.00 C ATOM 687 O LEU A 48 2.464 -0.158 5.816 1.00 0.00 O ATOM 688 CB LEU A 48 -0.286 -0.433 4.886 1.00 0.00 C ATOM 689 CG LEU A 48 -1.130 -1.566 5.473 1.00 0.00 C ATOM 690 CD1 LEU A 48 -2.418 -1.019 6.069 1.00 0.00 C ATOM 691 CD2 LEU A 48 -1.434 -2.610 4.409 1.00 0.00 C ATOM 0 H LEU A 48 0.767 1.856 4.277 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.548 0.743 6.666 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.869 0.063 4.110 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.586 -0.870 4.400 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.559 -2.043 6.270 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.005 -1.839 6.482 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.180 -0.309 6.861 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.994 -0.516 5.292 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.035 -3.408 4.844 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.985 -2.146 3.591 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.500 -3.025 4.029 1.00 0.00 H new ATOM 703 N GLU A 49 1.550 0.191 7.843 1.00 0.00 N ATOM 704 CA GLU A 49 2.746 -0.212 8.573 1.00 0.00 C ATOM 705 C GLU A 49 2.692 -1.694 8.930 1.00 0.00 C ATOM 706 O GLU A 49 1.615 -2.288 9.005 1.00 0.00 O ATOM 707 CB GLU A 49 2.901 0.625 9.844 1.00 0.00 C ATOM 708 CG GLU A 49 3.097 2.108 9.576 1.00 0.00 C ATOM 709 CD GLU A 49 3.905 2.795 10.660 1.00 0.00 C ATOM 710 OE1 GLU A 49 4.834 2.159 11.200 1.00 0.00 O ATOM 711 OE2 GLU A 49 3.608 3.968 10.969 1.00 0.00 O ATOM 0 H GLU A 49 0.768 0.471 8.435 1.00 0.00 H new ATOM 0 HA GLU A 49 3.608 -0.043 7.928 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.017 0.491 10.467 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.752 0.252 10.413 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.599 2.237 8.617 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.123 2.590 9.493 1.00 0.00 H new ATOM 718 N LEU A 50 3.861 -2.287 9.150 1.00 0.00 N ATOM 719 CA LEU A 50 3.948 -3.701 9.499 1.00 0.00 C ATOM 720 C LEU A 50 4.907 -3.915 10.667 1.00 0.00 C ATOM 721 O LEU A 50 5.825 -3.124 10.880 1.00 0.00 O ATOM 722 CB LEU A 50 4.408 -4.518 8.291 1.00 0.00 C ATOM 723 CG LEU A 50 3.520 -4.436 7.048 1.00 0.00 C ATOM 724 CD1 LEU A 50 4.217 -5.065 5.852 1.00 0.00 C ATOM 725 CD2 LEU A 50 2.181 -5.112 7.304 1.00 0.00 C ATOM 0 H LEU A 50 4.761 -1.811 9.093 1.00 0.00 H new ATOM 0 HA LEU A 50 2.956 -4.037 9.800 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.412 -4.192 8.018 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.483 -5.563 8.591 1.00 0.00 H new ATOM 0 HG LEU A 50 3.337 -3.385 6.824 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.570 -4.997 4.977 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.150 -4.537 5.655 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.431 -6.112 6.065 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.562 -5.044 6.409 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.345 -6.160 7.553 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.676 -4.616 8.133 1.00 0.00 H new ATOM 737 N GLN A 51 4.687 -4.990 11.416 1.00 0.00 N ATOM 738 CA GLN A 51 5.533 -5.308 12.561 1.00 0.00 C ATOM 739 C GLN A 51 6.004 -6.758 12.503 1.00 0.00 C ATOM 740 O GLN A 51 5.194 -7.679 12.404 1.00 0.00 O ATOM 741 CB GLN A 51 4.776 -5.057 13.866 1.00 0.00 C ATOM 742 CG GLN A 51 4.297 -3.623 14.025 1.00 0.00 C ATOM 743 CD GLN A 51 3.250 -3.475 15.111 1.00 0.00 C ATOM 744 OE1 GLN A 51 2.049 -3.495 14.838 1.00 0.00 O ATOM 745 NE2 GLN A 51 3.699 -3.324 16.351 1.00 0.00 N ATOM 0 H GLN A 51 3.931 -5.655 11.251 1.00 0.00 H new ATOM 0 HA GLN A 51 6.408 -4.659 12.526 1.00 0.00 H new ATOM 0 HB2 GLN A 51 3.916 -5.726 13.912 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.423 -5.311 14.706 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.148 -2.983 14.257 1.00 0.00 H new ATOM 0 HG3 GLN A 51 3.885 -3.274 13.078 1.00 0.00 H new ATOM 0 HE21 GLN A 51 4.703 -3.313 16.532 1.00 0.00 H new ATOM 0 HE22 GLN A 51 3.040 -3.219 17.123 1.00 0.00 H new ATOM 959 N LYS A 65 8.424 -2.198 7.802 1.00 0.00 N ATOM 960 CA LYS A 65 7.974 -2.307 6.419 1.00 0.00 C ATOM 961 C LYS A 65 6.648 -1.580 6.219 1.00 0.00 C ATOM 962 O LYS A 65 5.602 -2.039 6.678 1.00 0.00 O ATOM 963 CB LYS A 65 7.826 -3.778 6.024 1.00 0.00 C ATOM 964 CG LYS A 65 9.147 -4.458 5.704 1.00 0.00 C ATOM 965 CD LYS A 65 9.045 -5.968 5.845 1.00 0.00 C ATOM 966 CE LYS A 65 8.217 -6.577 4.723 1.00 0.00 C ATOM 967 NZ LYS A 65 7.589 -7.863 5.134 1.00 0.00 N ATOM 0 HA LYS A 65 8.724 -1.839 5.781 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.337 -4.316 6.836 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.171 -3.848 5.156 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.450 -4.206 4.688 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.922 -4.081 6.371 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.044 -6.404 5.839 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.595 -6.215 6.806 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.441 -5.874 4.421 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.852 -6.744 3.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.252 -8.370 4.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.290 -8.448 5.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.786 -7.671 5.766 1.00 0.00 H new ATOM 981 N VAL A 66 6.699 -0.445 5.530 1.00 0.00 N ATOM 982 CA VAL A 66 5.501 0.344 5.267 1.00 0.00 C ATOM 983 C VAL A 66 5.243 0.469 3.770 1.00 0.00 C ATOM 984 O VAL A 66 6.159 0.742 2.993 1.00 0.00 O ATOM 985 CB VAL A 66 5.612 1.754 5.878 1.00 0.00 C ATOM 986 CG1 VAL A 66 6.740 2.533 5.220 1.00 0.00 C ATOM 987 CG2 VAL A 66 4.291 2.497 5.745 1.00 0.00 C ATOM 0 H VAL A 66 7.557 -0.051 5.144 1.00 0.00 H new ATOM 0 HA VAL A 66 4.667 -0.181 5.733 1.00 0.00 H new ATOM 0 HB VAL A 66 5.842 1.655 6.939 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.804 3.526 5.664 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.682 2.007 5.372 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.544 2.625 4.152 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.387 3.491 6.182 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.029 2.588 4.691 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.509 1.945 6.267 1.00 0.00 H new ATOM 997 N ILE A 67 3.991 0.269 3.372 1.00 0.00 N ATOM 998 CA ILE A 67 3.613 0.361 1.967 1.00 0.00 C ATOM 999 C ILE A 67 2.580 1.461 1.748 1.00 0.00 C ATOM 1000 O ILE A 67 1.380 1.242 1.915 1.00 0.00 O ATOM 1001 CB ILE A 67 3.045 -0.973 1.449 1.00 0.00 C ATOM 1002 CG1 ILE A 67 4.047 -2.105 1.683 1.00 0.00 C ATOM 1003 CG2 ILE A 67 2.698 -0.862 -0.029 1.00 0.00 C ATOM 1004 CD1 ILE A 67 3.402 -3.468 1.802 1.00 0.00 C ATOM 0 H ILE A 67 3.222 0.042 4.002 1.00 0.00 H new ATOM 0 HA ILE A 67 4.519 0.601 1.410 1.00 0.00 H new ATOM 0 HB ILE A 67 2.133 -1.201 2.001 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.763 -2.121 0.861 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.611 -1.898 2.593 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.298 -1.813 -0.381 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.952 -0.080 -0.170 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.595 -0.614 -0.596 1.00 0.00 H new ATOM 0 HD11 ILE A 67 4.172 -4.222 1.967 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.707 -3.470 2.642 1.00 0.00 H new ATOM 0 HD13 ILE A 67 2.862 -3.696 0.883 1.00 0.00 H new ATOM 1016 N ARG A 68 3.054 2.644 1.370 1.00 0.00 N ATOM 1017 CA ARG A 68 2.171 3.778 1.127 1.00 0.00 C ATOM 1018 C ARG A 68 0.996 3.373 0.241 1.00 0.00 C ATOM 1019 O ARG A 68 1.185 2.833 -0.850 1.00 0.00 O ATOM 1020 CB ARG A 68 2.946 4.923 0.472 1.00 0.00 C ATOM 1021 CG ARG A 68 3.962 5.576 1.394 1.00 0.00 C ATOM 1022 CD ARG A 68 5.131 6.155 0.613 1.00 0.00 C ATOM 1023 NE ARG A 68 4.862 7.514 0.151 1.00 0.00 N ATOM 1024 CZ ARG A 68 5.697 8.210 -0.613 1.00 0.00 C ATOM 1025 NH1 ARG A 68 6.848 7.676 -0.999 1.00 0.00 N ATOM 1026 NH2 ARG A 68 5.382 9.442 -0.992 1.00 0.00 N ATOM 0 H ARG A 68 4.044 2.842 1.226 1.00 0.00 H new ATOM 0 HA ARG A 68 1.780 4.114 2.087 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.460 4.544 -0.411 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.240 5.679 0.130 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.479 6.367 1.968 1.00 0.00 H new ATOM 0 HG3 ARG A 68 4.330 4.842 2.111 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.022 6.156 1.241 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.346 5.517 -0.244 1.00 0.00 H new ATOM 0 HE ARG A 68 3.985 7.953 0.430 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.094 6.729 -0.709 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.488 8.212 -1.586 1.00 0.00 H new ATOM 0 HH21 ARG A 68 4.498 9.856 -0.697 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.024 9.975 -1.579 1.00 0.00 H new ATOM 1040 N LEU A 69 -0.216 3.635 0.718 1.00 0.00 N ATOM 1041 CA LEU A 69 -1.422 3.298 -0.030 1.00 0.00 C ATOM 1042 C LEU A 69 -1.513 4.116 -1.314 1.00 0.00 C ATOM 1043 O LEU A 69 -2.054 3.654 -2.319 1.00 0.00 O ATOM 1044 CB LEU A 69 -2.663 3.538 0.831 1.00 0.00 C ATOM 1045 CG LEU A 69 -2.880 2.557 1.984 1.00 0.00 C ATOM 1046 CD1 LEU A 69 -4.113 2.942 2.787 1.00 0.00 C ATOM 1047 CD2 LEU A 69 -3.007 1.135 1.458 1.00 0.00 C ATOM 0 H LEU A 69 -0.390 4.080 1.619 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.371 2.242 -0.297 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.605 4.545 1.243 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.540 3.508 0.185 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.013 2.603 2.643 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.252 2.233 3.603 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.983 3.944 3.195 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.989 2.925 2.139 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.161 0.451 2.292 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.856 1.073 0.777 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.095 0.861 0.927 1.00 0.00 H new ATOM 1059 N SER A 70 -0.979 5.332 -1.274 1.00 0.00 N ATOM 1060 CA SER A 70 -1.002 6.216 -2.434 1.00 0.00 C ATOM 1061 C SER A 70 -0.102 5.680 -3.543 1.00 0.00 C ATOM 1062 O SER A 70 -0.154 6.147 -4.681 1.00 0.00 O ATOM 1063 CB SER A 70 -0.558 7.625 -2.037 1.00 0.00 C ATOM 1064 OG SER A 70 -0.666 8.520 -3.130 1.00 0.00 O ATOM 0 H SER A 70 -0.525 5.728 -0.451 1.00 0.00 H new ATOM 0 HA SER A 70 -2.025 6.257 -2.808 1.00 0.00 H new ATOM 0 HB2 SER A 70 -1.169 7.982 -1.208 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.473 7.599 -1.685 1.00 0.00 H new ATOM 0 HG SER A 70 -0.612 8.018 -3.970 1.00 0.00 H new ATOM 1070 N ASP A 71 0.723 4.695 -3.203 1.00 0.00 N ATOM 1071 CA ASP A 71 1.635 4.094 -4.168 1.00 0.00 C ATOM 1072 C ASP A 71 1.003 2.869 -4.823 1.00 0.00 C ATOM 1073 O ASP A 71 1.369 2.490 -5.936 1.00 0.00 O ATOM 1074 CB ASP A 71 2.948 3.703 -3.488 1.00 0.00 C ATOM 1075 CG ASP A 71 3.875 4.887 -3.295 1.00 0.00 C ATOM 1076 OD1 ASP A 71 3.400 5.942 -2.828 1.00 0.00 O ATOM 1077 OD2 ASP A 71 5.076 4.757 -3.612 1.00 0.00 O ATOM 0 H ASP A 71 0.778 4.296 -2.266 1.00 0.00 H new ATOM 0 HA ASP A 71 1.842 4.832 -4.942 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.732 3.253 -2.519 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.452 2.944 -4.087 1.00 0.00 H new ATOM 1082 N CYS A 72 0.054 2.255 -4.125 1.00 0.00 N ATOM 1083 CA CYS A 72 -0.628 1.072 -4.637 1.00 0.00 C ATOM 1084 C CYS A 72 -1.215 1.339 -6.019 1.00 0.00 C ATOM 1085 O CYS A 72 -2.258 1.982 -6.149 1.00 0.00 O ATOM 1086 CB CYS A 72 -1.734 0.639 -3.675 1.00 0.00 C ATOM 1087 SG CYS A 72 -1.137 0.123 -2.048 1.00 0.00 S ATOM 0 H CYS A 72 -0.261 2.557 -3.203 1.00 0.00 H new ATOM 0 HA CYS A 72 0.104 0.269 -4.722 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -2.434 1.465 -3.548 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -2.290 -0.184 -4.124 1.00 0.00 H new ATOM 0 HG CYS A 72 -2.146 -0.223 -1.305 1.00 0.00 H new ATOM 1093 N LEU A 73 -0.538 0.843 -7.050 1.00 0.00 N ATOM 1094 CA LEU A 73 -0.991 1.029 -8.424 1.00 0.00 C ATOM 1095 C LEU A 73 -2.465 0.660 -8.566 1.00 0.00 C ATOM 1096 O LEU A 73 -3.261 1.436 -9.093 1.00 0.00 O ATOM 1097 CB LEU A 73 -0.147 0.184 -9.379 1.00 0.00 C ATOM 1098 CG LEU A 73 1.292 0.651 -9.595 1.00 0.00 C ATOM 1099 CD1 LEU A 73 2.130 -0.464 -10.202 1.00 0.00 C ATOM 1100 CD2 LEU A 73 1.324 1.888 -10.481 1.00 0.00 C ATOM 0 H LEU A 73 0.326 0.309 -6.960 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.873 2.082 -8.680 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.123 -0.839 -9.003 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.648 0.156 -10.347 1.00 0.00 H new ATOM 0 HG LEU A 73 1.718 0.911 -8.626 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.151 -0.113 -10.349 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.134 -1.323 -9.531 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.706 -0.756 -11.162 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.357 2.206 -10.624 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.879 1.654 -11.448 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.759 2.690 -10.006 1.00 0.00 H new ATOM 1112 N ARG A 74 -2.819 -0.529 -8.090 1.00 0.00 N ATOM 1113 CA ARG A 74 -4.197 -1.001 -8.163 1.00 0.00 C ATOM 1114 C ARG A 74 -4.385 -2.262 -7.324 1.00 0.00 C ATOM 1115 O ARG A 74 -3.490 -3.103 -7.240 1.00 0.00 O ATOM 1116 CB ARG A 74 -4.587 -1.280 -9.616 1.00 0.00 C ATOM 1117 CG ARG A 74 -6.069 -1.090 -9.896 1.00 0.00 C ATOM 1118 CD ARG A 74 -6.469 -1.715 -11.223 1.00 0.00 C ATOM 1119 NE ARG A 74 -5.934 -0.972 -12.362 1.00 0.00 N ATOM 1120 CZ ARG A 74 -6.108 -1.340 -13.626 1.00 0.00 C ATOM 1121 NH1 ARG A 74 -6.798 -2.435 -13.913 1.00 0.00 N ATOM 1122 NH2 ARG A 74 -5.591 -0.612 -14.607 1.00 0.00 N ATOM 0 H ARG A 74 -2.172 -1.183 -7.650 1.00 0.00 H new ATOM 0 HA ARG A 74 -4.844 -0.220 -7.764 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -4.015 -0.621 -10.270 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -4.306 -2.302 -9.869 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -6.653 -1.537 -9.091 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -6.305 -0.026 -9.908 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -6.112 -2.744 -11.261 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -7.556 -1.752 -11.293 1.00 0.00 H new ATOM 0 HE ARG A 74 -5.398 -0.125 -12.176 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -7.197 -2.998 -13.162 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -6.930 -2.715 -14.885 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -5.059 0.231 -14.391 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -5.725 -0.895 -15.578 1.00 0.00 H new ATOM 1136 N VAL A 75 -5.555 -2.385 -6.704 1.00 0.00 N ATOM 1137 CA VAL A 75 -5.861 -3.542 -5.872 1.00 0.00 C ATOM 1138 C VAL A 75 -7.086 -4.285 -6.393 1.00 0.00 C ATOM 1139 O VAL A 75 -7.782 -3.805 -7.288 1.00 0.00 O ATOM 1140 CB VAL A 75 -6.106 -3.132 -4.408 1.00 0.00 C ATOM 1141 CG1 VAL A 75 -4.954 -2.285 -3.890 1.00 0.00 C ATOM 1142 CG2 VAL A 75 -7.427 -2.388 -4.278 1.00 0.00 C ATOM 0 H VAL A 75 -6.306 -1.697 -6.763 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.994 -4.201 -5.916 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.162 -4.035 -3.800 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.145 -2.005 -2.854 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.028 -2.857 -3.946 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.862 -1.385 -4.498 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.585 -2.106 -3.237 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.402 -1.492 -4.897 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.242 -3.033 -4.606 1.00 0.00 H new ATOM 1152 N ALA A 76 -7.345 -5.459 -5.826 1.00 0.00 N ATOM 1153 CA ALA A 76 -8.489 -6.267 -6.231 1.00 0.00 C ATOM 1154 C ALA A 76 -8.849 -7.287 -5.156 1.00 0.00 C ATOM 1155 O ALA A 76 -8.168 -7.392 -4.136 1.00 0.00 O ATOM 1156 CB ALA A 76 -8.199 -6.968 -7.550 1.00 0.00 C ATOM 0 H ALA A 76 -6.778 -5.872 -5.085 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.343 -5.603 -6.365 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -9.061 -7.568 -7.841 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -7.998 -6.224 -8.321 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.329 -7.615 -7.435 1.00 0.00 H new ATOM 1162 N GLU A 77 -9.923 -8.034 -5.391 1.00 0.00 N ATOM 1163 CA GLU A 77 -10.373 -9.044 -4.441 1.00 0.00 C ATOM 1164 C GLU A 77 -10.086 -10.449 -4.963 1.00 0.00 C ATOM 1165 O GLU A 77 -10.477 -10.801 -6.076 1.00 0.00 O ATOM 1166 CB GLU A 77 -11.869 -8.886 -4.166 1.00 0.00 C ATOM 1167 CG GLU A 77 -12.224 -7.593 -3.450 1.00 0.00 C ATOM 1168 CD GLU A 77 -13.634 -7.127 -3.754 1.00 0.00 C ATOM 1169 OE1 GLU A 77 -14.029 -7.162 -4.938 1.00 0.00 O ATOM 1170 OE2 GLU A 77 -14.343 -6.725 -2.807 1.00 0.00 O ATOM 0 H GLU A 77 -10.497 -7.959 -6.231 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.823 -8.902 -3.511 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -12.410 -8.928 -5.111 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.210 -9.729 -3.566 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -12.116 -7.736 -2.375 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -11.518 -6.815 -3.740 1.00 0.00 H new ATOM 1177 N ALA A 78 -9.400 -11.247 -4.152 1.00 0.00 N ATOM 1178 CA ALA A 78 -9.061 -12.613 -4.530 1.00 0.00 C ATOM 1179 C ALA A 78 -9.918 -13.621 -3.772 1.00 0.00 C ATOM 1180 O ALA A 78 -10.781 -13.246 -2.980 1.00 0.00 O ATOM 1181 CB ALA A 78 -7.584 -12.880 -4.281 1.00 0.00 C ATOM 0 H ALA A 78 -9.068 -10.971 -3.228 1.00 0.00 H new ATOM 0 HA ALA A 78 -9.265 -12.730 -5.594 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.346 -13.904 -4.568 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -6.984 -12.189 -4.873 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.362 -12.739 -3.223 1.00 0.00 H new ATOM 1286 N ASP A 87 -11.787 -20.901 4.283 1.00 0.00 N ATOM 1287 CA ASP A 87 -12.438 -20.098 5.313 1.00 0.00 C ATOM 1288 C ASP A 87 -11.799 -18.717 5.408 1.00 0.00 C ATOM 1289 O ASP A 87 -11.827 -18.079 6.462 1.00 0.00 O ATOM 1290 CB ASP A 87 -12.358 -20.806 6.666 1.00 0.00 C ATOM 1291 CG ASP A 87 -13.027 -22.166 6.649 1.00 0.00 C ATOM 1292 OD1 ASP A 87 -12.343 -23.159 6.324 1.00 0.00 O ATOM 1293 OD2 ASP A 87 -14.235 -22.238 6.959 1.00 0.00 O ATOM 0 HA ASP A 87 -13.485 -19.975 5.038 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -11.312 -20.922 6.950 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -12.828 -20.183 7.427 1.00 0.00 H new ATOM 1298 N THR A 88 -11.221 -18.259 4.302 1.00 0.00 N ATOM 1299 CA THR A 88 -10.573 -16.954 4.261 1.00 0.00 C ATOM 1300 C THR A 88 -10.786 -16.276 2.913 1.00 0.00 C ATOM 1301 O THR A 88 -11.461 -16.815 2.036 1.00 0.00 O ATOM 1302 CB THR A 88 -9.061 -17.069 4.532 1.00 0.00 C ATOM 1303 OG1 THR A 88 -8.515 -18.171 3.800 1.00 0.00 O ATOM 1304 CG2 THR A 88 -8.791 -17.256 6.018 1.00 0.00 C ATOM 0 H THR A 88 -11.188 -18.773 3.422 1.00 0.00 H new ATOM 0 HA THR A 88 -11.030 -16.350 5.044 1.00 0.00 H new ATOM 0 HB THR A 88 -8.584 -16.145 4.206 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.553 -18.236 3.976 1.00 0.00 H new ATOM 0 HG21 THR A 88 -7.717 -17.335 6.186 1.00 0.00 H new ATOM 0 HG22 THR A 88 -9.182 -16.401 6.569 1.00 0.00 H new ATOM 0 HG23 THR A 88 -9.280 -18.166 6.365 1.00 0.00 H new ATOM 1312 N SER A 89 -10.206 -15.091 2.753 1.00 0.00 N ATOM 1313 CA SER A 89 -10.335 -14.337 1.512 1.00 0.00 C ATOM 1314 C SER A 89 -9.114 -13.451 1.285 1.00 0.00 C ATOM 1315 O SER A 89 -8.946 -12.426 1.945 1.00 0.00 O ATOM 1316 CB SER A 89 -11.603 -13.481 1.539 1.00 0.00 C ATOM 1317 OG SER A 89 -12.750 -14.276 1.785 1.00 0.00 O ATOM 0 H SER A 89 -9.642 -14.632 3.468 1.00 0.00 H new ATOM 0 HA SER A 89 -10.404 -15.049 0.689 1.00 0.00 H new ATOM 0 HB2 SER A 89 -11.514 -12.717 2.312 1.00 0.00 H new ATOM 0 HB3 SER A 89 -11.715 -12.961 0.588 1.00 0.00 H new ATOM 0 HG SER A 89 -13.547 -13.705 1.799 1.00 0.00 H new ATOM 1323 N ALA A 90 -8.265 -13.854 0.345 1.00 0.00 N ATOM 1324 CA ALA A 90 -7.061 -13.097 0.028 1.00 0.00 C ATOM 1325 C ALA A 90 -7.367 -11.955 -0.934 1.00 0.00 C ATOM 1326 O ALA A 90 -8.285 -12.047 -1.750 1.00 0.00 O ATOM 1327 CB ALA A 90 -5.999 -14.015 -0.560 1.00 0.00 C ATOM 0 H ALA A 90 -8.389 -14.701 -0.210 1.00 0.00 H new ATOM 0 HA ALA A 90 -6.680 -12.665 0.953 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -5.105 -13.436 -0.792 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -5.750 -14.793 0.162 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.380 -14.475 -1.472 1.00 0.00 H new ATOM 1333 N PHE A 91 -6.595 -10.878 -0.833 1.00 0.00 N ATOM 1334 CA PHE A 91 -6.786 -9.717 -1.694 1.00 0.00 C ATOM 1335 C PHE A 91 -5.537 -9.447 -2.528 1.00 0.00 C ATOM 1336 O PHE A 91 -4.461 -9.976 -2.245 1.00 0.00 O ATOM 1337 CB PHE A 91 -7.128 -8.484 -0.855 1.00 0.00 C ATOM 1338 CG PHE A 91 -6.005 -8.035 0.036 1.00 0.00 C ATOM 1339 CD1 PHE A 91 -5.817 -8.615 1.280 1.00 0.00 C ATOM 1340 CD2 PHE A 91 -5.139 -7.033 -0.370 1.00 0.00 C ATOM 1341 CE1 PHE A 91 -4.785 -8.203 2.102 1.00 0.00 C ATOM 1342 CE2 PHE A 91 -4.105 -6.617 0.448 1.00 0.00 C ATOM 1343 CZ PHE A 91 -3.927 -7.204 1.685 1.00 0.00 C ATOM 0 H PHE A 91 -5.831 -10.785 -0.163 1.00 0.00 H new ATOM 0 HA PHE A 91 -7.614 -9.930 -2.370 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -7.402 -7.666 -1.521 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -8.002 -8.703 -0.242 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -6.484 -9.397 1.611 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -5.273 -6.571 -1.337 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -4.649 -8.662 3.070 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -3.437 -5.834 0.120 1.00 0.00 H new ATOM 0 HZ PHE A 91 -3.119 -6.883 2.325 1.00 0.00 H new ATOM 1353 N PHE A 92 -5.688 -8.621 -3.559 1.00 0.00 N ATOM 1354 CA PHE A 92 -4.573 -8.282 -4.436 1.00 0.00 C ATOM 1355 C PHE A 92 -4.011 -6.905 -4.094 1.00 0.00 C ATOM 1356 O PHE A 92 -4.749 -6.002 -3.696 1.00 0.00 O ATOM 1357 CB PHE A 92 -5.020 -8.314 -5.899 1.00 0.00 C ATOM 1358 CG PHE A 92 -5.002 -9.689 -6.502 1.00 0.00 C ATOM 1359 CD1 PHE A 92 -3.802 -10.306 -6.818 1.00 0.00 C ATOM 1360 CD2 PHE A 92 -6.185 -10.366 -6.752 1.00 0.00 C ATOM 1361 CE1 PHE A 92 -3.783 -11.571 -7.373 1.00 0.00 C ATOM 1362 CE2 PHE A 92 -6.172 -11.632 -7.307 1.00 0.00 C ATOM 1363 CZ PHE A 92 -4.969 -12.236 -7.617 1.00 0.00 C ATOM 0 H PHE A 92 -6.571 -8.175 -3.807 1.00 0.00 H new ATOM 0 HA PHE A 92 -3.787 -9.023 -4.287 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -6.029 -7.908 -5.971 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -4.371 -7.661 -6.483 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.871 -9.792 -6.628 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -7.128 -9.899 -6.510 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -2.841 -12.040 -7.616 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -7.101 -12.148 -7.498 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.956 -13.226 -8.049 1.00 0.00 H new ATOM 1373 N LEU A 93 -2.701 -6.752 -4.250 1.00 0.00 N ATOM 1374 CA LEU A 93 -2.038 -5.486 -3.958 1.00 0.00 C ATOM 1375 C LEU A 93 -0.855 -5.262 -4.894 1.00 0.00 C ATOM 1376 O LEU A 93 0.184 -5.908 -4.762 1.00 0.00 O ATOM 1377 CB LEU A 93 -1.565 -5.459 -2.504 1.00 0.00 C ATOM 1378 CG LEU A 93 -1.486 -4.080 -1.849 1.00 0.00 C ATOM 1379 CD1 LEU A 93 -1.151 -4.209 -0.371 1.00 0.00 C ATOM 1380 CD2 LEU A 93 -0.457 -3.211 -2.557 1.00 0.00 C ATOM 0 H LEU A 93 -2.077 -7.489 -4.577 1.00 0.00 H new ATOM 0 HA LEU A 93 -2.758 -4.683 -4.114 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.236 -6.082 -1.913 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.578 -5.919 -2.455 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.461 -3.600 -1.939 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -1.099 -3.217 0.078 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.924 -4.793 0.128 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.189 -4.709 -0.258 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.415 -2.233 -2.077 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.522 -3.686 -2.499 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -0.741 -3.090 -3.603 1.00 0.00 H new ATOM 1392 N GLU A 94 -1.019 -4.340 -5.838 1.00 0.00 N ATOM 1393 CA GLU A 94 0.037 -4.031 -6.794 1.00 0.00 C ATOM 1394 C GLU A 94 0.695 -2.694 -6.465 1.00 0.00 C ATOM 1395 O GLU A 94 0.035 -1.654 -6.433 1.00 0.00 O ATOM 1396 CB GLU A 94 -0.527 -3.997 -8.217 1.00 0.00 C ATOM 1397 CG GLU A 94 0.535 -4.135 -9.295 1.00 0.00 C ATOM 1398 CD GLU A 94 -0.036 -4.008 -10.695 1.00 0.00 C ATOM 1399 OE1 GLU A 94 -0.764 -4.927 -11.124 1.00 0.00 O ATOM 1400 OE2 GLU A 94 0.246 -2.990 -11.360 1.00 0.00 O ATOM 0 H GLU A 94 -1.872 -3.795 -5.961 1.00 0.00 H new ATOM 0 HA GLU A 94 0.792 -4.814 -6.728 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -1.254 -4.801 -8.330 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.063 -3.059 -8.364 1.00 0.00 H new ATOM 0 HG2 GLU A 94 1.299 -3.372 -9.147 1.00 0.00 H new ATOM 0 HG3 GLU A 94 1.027 -5.102 -9.194 1.00 0.00 H new ATOM 1407 N THR A 95 2.001 -2.728 -6.219 1.00 0.00 N ATOM 1408 CA THR A 95 2.749 -1.522 -5.890 1.00 0.00 C ATOM 1409 C THR A 95 3.903 -1.308 -6.862 1.00 0.00 C ATOM 1410 O THR A 95 4.539 -2.263 -7.307 1.00 0.00 O ATOM 1411 CB THR A 95 3.306 -1.580 -4.455 1.00 0.00 C ATOM 1412 OG1 THR A 95 4.239 -2.659 -4.335 1.00 0.00 O ATOM 1413 CG2 THR A 95 2.182 -1.760 -3.445 1.00 0.00 C ATOM 0 H THR A 95 2.563 -3.579 -6.242 1.00 0.00 H new ATOM 0 HA THR A 95 2.052 -0.687 -5.968 1.00 0.00 H new ATOM 0 HB THR A 95 3.813 -0.637 -4.247 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.004 -3.367 -4.970 1.00 0.00 H new ATOM 0 HG21 THR A 95 2.600 -1.798 -2.439 1.00 0.00 H new ATOM 0 HG22 THR A 95 1.489 -0.922 -3.519 1.00 0.00 H new ATOM 0 HG23 THR A 95 1.651 -2.689 -3.653 1.00 0.00 H new ATOM 1421 N LYS A 96 4.169 -0.048 -7.189 1.00 0.00 N ATOM 1422 CA LYS A 96 5.248 0.293 -8.108 1.00 0.00 C ATOM 1423 C LYS A 96 6.427 -0.661 -7.941 1.00 0.00 C ATOM 1424 O LYS A 96 7.036 -1.086 -8.922 1.00 0.00 O ATOM 1425 CB LYS A 96 5.708 1.734 -7.876 1.00 0.00 C ATOM 1426 CG LYS A 96 4.661 2.773 -8.239 1.00 0.00 C ATOM 1427 CD LYS A 96 5.149 4.182 -7.948 1.00 0.00 C ATOM 1428 CE LYS A 96 4.403 5.213 -8.781 1.00 0.00 C ATOM 1429 NZ LYS A 96 5.009 5.380 -10.131 1.00 0.00 N ATOM 0 H LYS A 96 3.651 0.755 -6.831 1.00 0.00 H new ATOM 0 HA LYS A 96 4.868 0.199 -9.125 1.00 0.00 H new ATOM 0 HB2 LYS A 96 5.980 1.855 -6.827 1.00 0.00 H new ATOM 0 HB3 LYS A 96 6.609 1.918 -8.462 1.00 0.00 H new ATOM 0 HG2 LYS A 96 4.411 2.685 -9.296 1.00 0.00 H new ATOM 0 HG3 LYS A 96 3.746 2.581 -7.678 1.00 0.00 H new ATOM 0 HD2 LYS A 96 5.016 4.403 -6.889 1.00 0.00 H new ATOM 0 HD3 LYS A 96 6.217 4.249 -8.156 1.00 0.00 H new ATOM 0 HE2 LYS A 96 3.361 4.910 -8.886 1.00 0.00 H new ATOM 0 HE3 LYS A 96 4.406 6.171 -8.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 4.472 6.091 -10.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 5.996 5.694 -10.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 4.983 4.472 -10.638 1.00 0.00 H new ATOM 1443 N GLU A 97 6.741 -0.993 -6.693 1.00 0.00 N ATOM 1444 CA GLU A 97 7.846 -1.898 -6.399 1.00 0.00 C ATOM 1445 C GLU A 97 7.588 -3.282 -6.988 1.00 0.00 C ATOM 1446 O GLU A 97 8.385 -3.792 -7.775 1.00 0.00 O ATOM 1447 CB GLU A 97 8.058 -2.006 -4.888 1.00 0.00 C ATOM 1448 CG GLU A 97 8.963 -0.925 -4.321 1.00 0.00 C ATOM 1449 CD GLU A 97 8.492 0.473 -4.671 1.00 0.00 C ATOM 1450 OE1 GLU A 97 8.683 0.890 -5.833 1.00 0.00 O ATOM 1451 OE2 GLU A 97 7.932 1.150 -3.783 1.00 0.00 O ATOM 0 H GLU A 97 6.246 -0.649 -5.870 1.00 0.00 H new ATOM 0 HA GLU A 97 8.747 -1.490 -6.857 1.00 0.00 H new ATOM 0 HB2 GLU A 97 7.090 -1.956 -4.389 1.00 0.00 H new ATOM 0 HB3 GLU A 97 8.485 -2.982 -4.658 1.00 0.00 H new ATOM 0 HG2 GLU A 97 9.010 -1.028 -3.237 1.00 0.00 H new ATOM 0 HG3 GLU A 97 9.975 -1.069 -4.699 1.00 0.00 H new ATOM 1458 N ARG A 98 6.468 -3.884 -6.600 1.00 0.00 N ATOM 1459 CA ARG A 98 6.105 -5.209 -7.088 1.00 0.00 C ATOM 1460 C ARG A 98 4.702 -5.592 -6.626 1.00 0.00 C ATOM 1461 O ARG A 98 4.077 -4.876 -5.843 1.00 0.00 O ATOM 1462 CB ARG A 98 7.116 -6.249 -6.601 1.00 0.00 C ATOM 1463 CG ARG A 98 7.177 -6.378 -5.088 1.00 0.00 C ATOM 1464 CD ARG A 98 8.211 -7.406 -4.658 1.00 0.00 C ATOM 1465 NE ARG A 98 9.552 -6.832 -4.578 1.00 0.00 N ATOM 1466 CZ ARG A 98 10.658 -7.561 -4.474 1.00 0.00 C ATOM 1467 NH1 ARG A 98 10.583 -8.884 -4.438 1.00 0.00 N ATOM 1468 NH2 ARG A 98 11.842 -6.965 -4.407 1.00 0.00 N ATOM 0 H ARG A 98 5.797 -3.475 -5.950 1.00 0.00 H new ATOM 0 HA ARG A 98 6.116 -5.184 -8.178 1.00 0.00 H new ATOM 0 HB2 ARG A 98 6.862 -7.218 -7.030 1.00 0.00 H new ATOM 0 HB3 ARG A 98 8.105 -5.984 -6.975 1.00 0.00 H new ATOM 0 HG2 ARG A 98 7.420 -5.410 -4.649 1.00 0.00 H new ATOM 0 HG3 ARG A 98 6.197 -6.664 -4.706 1.00 0.00 H new ATOM 0 HD2 ARG A 98 7.933 -7.815 -3.687 1.00 0.00 H new ATOM 0 HD3 ARG A 98 8.213 -8.236 -5.365 1.00 0.00 H new ATOM 0 HE ARG A 98 9.644 -5.816 -4.603 1.00 0.00 H new ATOM 0 HH11 ARG A 98 9.675 -9.345 -4.490 1.00 0.00 H new ATOM 0 HH12 ARG A 98 11.434 -9.441 -4.358 1.00 0.00 H new ATOM 0 HH21 ARG A 98 11.903 -5.947 -4.435 1.00 0.00 H new ATOM 0 HH22 ARG A 98 12.691 -7.525 -4.327 1.00 0.00 H new ATOM 1482 N LEU A 99 4.213 -6.726 -7.117 1.00 0.00 N ATOM 1483 CA LEU A 99 2.883 -7.205 -6.755 1.00 0.00 C ATOM 1484 C LEU A 99 2.942 -8.091 -5.515 1.00 0.00 C ATOM 1485 O LEU A 99 3.613 -9.124 -5.509 1.00 0.00 O ATOM 1486 CB LEU A 99 2.264 -7.978 -7.920 1.00 0.00 C ATOM 1487 CG LEU A 99 0.922 -8.655 -7.639 1.00 0.00 C ATOM 1488 CD1 LEU A 99 -0.174 -7.616 -7.461 1.00 0.00 C ATOM 1489 CD2 LEU A 99 0.566 -9.621 -8.760 1.00 0.00 C ATOM 0 H LEU A 99 4.717 -7.330 -7.766 1.00 0.00 H new ATOM 0 HA LEU A 99 2.260 -6.339 -6.530 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.134 -7.292 -8.757 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.973 -8.741 -8.241 1.00 0.00 H new ATOM 0 HG LEU A 99 1.011 -9.222 -6.712 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -1.121 -8.117 -7.262 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.075 -6.964 -6.623 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -0.262 -7.021 -8.370 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.392 -10.093 -8.543 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.497 -9.076 -9.702 1.00 0.00 H new ATOM 0 HD23 LEU A 99 1.338 -10.386 -8.840 1.00 0.00 H new ATOM 1501 N TYR A 100 2.234 -7.683 -4.468 1.00 0.00 N ATOM 1502 CA TYR A 100 2.206 -8.440 -3.223 1.00 0.00 C ATOM 1503 C TYR A 100 0.849 -9.109 -3.022 1.00 0.00 C ATOM 1504 O TYR A 100 -0.196 -8.465 -3.129 1.00 0.00 O ATOM 1505 CB TYR A 100 2.516 -7.524 -2.037 1.00 0.00 C ATOM 1506 CG TYR A 100 3.887 -6.891 -2.104 1.00 0.00 C ATOM 1507 CD1 TYR A 100 5.030 -7.631 -1.829 1.00 0.00 C ATOM 1508 CD2 TYR A 100 4.039 -5.552 -2.443 1.00 0.00 C ATOM 1509 CE1 TYR A 100 6.285 -7.056 -1.888 1.00 0.00 C ATOM 1510 CE2 TYR A 100 5.290 -4.968 -2.506 1.00 0.00 C ATOM 1511 CZ TYR A 100 6.410 -5.724 -2.227 1.00 0.00 C ATOM 1512 OH TYR A 100 7.658 -5.148 -2.289 1.00 0.00 O ATOM 0 H TYR A 100 1.672 -6.832 -4.457 1.00 0.00 H new ATOM 0 HA TYR A 100 2.968 -9.217 -3.283 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.763 -6.737 -1.990 1.00 0.00 H new ATOM 0 HB3 TYR A 100 2.435 -8.098 -1.114 1.00 0.00 H new ATOM 0 HD1 TYR A 100 4.936 -8.674 -1.564 1.00 0.00 H new ATOM 0 HD2 TYR A 100 3.164 -4.957 -2.661 1.00 0.00 H new ATOM 0 HE1 TYR A 100 7.163 -7.646 -1.670 1.00 0.00 H new ATOM 0 HE2 TYR A 100 5.390 -3.926 -2.772 1.00 0.00 H new ATOM 0 HH TYR A 100 7.571 -4.205 -2.543 1.00 0.00 H new ATOM 1522 N LEU A 101 0.873 -10.404 -2.730 1.00 0.00 N ATOM 1523 CA LEU A 101 -0.354 -11.163 -2.513 1.00 0.00 C ATOM 1524 C LEU A 101 -0.511 -11.535 -1.042 1.00 0.00 C ATOM 1525 O LEU A 101 0.079 -12.508 -0.570 1.00 0.00 O ATOM 1526 CB LEU A 101 -0.354 -12.427 -3.374 1.00 0.00 C ATOM 1527 CG LEU A 101 -1.496 -13.412 -3.119 1.00 0.00 C ATOM 1528 CD1 LEU A 101 -2.806 -12.863 -3.665 1.00 0.00 C ATOM 1529 CD2 LEU A 101 -1.183 -14.764 -3.742 1.00 0.00 C ATOM 0 H LEU A 101 1.729 -10.951 -2.638 1.00 0.00 H new ATOM 0 HA LEU A 101 -1.197 -10.535 -2.801 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -0.385 -12.129 -4.422 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.591 -12.948 -3.219 1.00 0.00 H new ATOM 0 HG LEU A 101 -1.601 -13.546 -2.042 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -3.607 -13.577 -3.475 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -3.038 -11.918 -3.173 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.713 -12.700 -4.739 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -2.006 -15.452 -3.551 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -1.050 -14.647 -4.818 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.268 -15.163 -3.305 1.00 0.00 H new ATOM 1541 N LEU A 102 -1.311 -10.757 -0.322 1.00 0.00 N ATOM 1542 CA LEU A 102 -1.548 -11.006 1.096 1.00 0.00 C ATOM 1543 C LEU A 102 -2.901 -11.677 1.312 1.00 0.00 C ATOM 1544 O LEU A 102 -3.785 -11.603 0.459 1.00 0.00 O ATOM 1545 CB LEU A 102 -1.485 -9.695 1.882 1.00 0.00 C ATOM 1546 CG LEU A 102 -0.124 -9.000 1.920 1.00 0.00 C ATOM 1547 CD1 LEU A 102 0.015 -8.034 0.753 1.00 0.00 C ATOM 1548 CD2 LEU A 102 0.067 -8.273 3.243 1.00 0.00 C ATOM 0 H LEU A 102 -1.807 -9.948 -0.696 1.00 0.00 H new ATOM 0 HA LEU A 102 -0.768 -11.677 1.457 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -2.212 -9.004 1.455 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.798 -9.894 2.907 1.00 0.00 H new ATOM 0 HG LEU A 102 0.653 -9.759 1.831 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.990 -7.549 0.797 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -0.076 -8.581 -0.185 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.769 -7.279 0.810 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.041 -7.784 3.252 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -0.716 -7.524 3.363 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.013 -8.989 4.063 1.00 0.00 H new ATOM 1560 N ALA A 103 -3.054 -12.331 2.459 1.00 0.00 N ATOM 1561 CA ALA A 103 -4.300 -13.011 2.789 1.00 0.00 C ATOM 1562 C ALA A 103 -5.016 -12.317 3.943 1.00 0.00 C ATOM 1563 O ALA A 103 -4.379 -11.792 4.855 1.00 0.00 O ATOM 1564 CB ALA A 103 -4.030 -14.469 3.133 1.00 0.00 C ATOM 0 H ALA A 103 -2.331 -12.404 3.175 1.00 0.00 H new ATOM 0 HA ALA A 103 -4.950 -12.969 1.915 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -4.969 -14.965 3.378 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.569 -14.965 2.279 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -3.358 -14.522 3.989 1.00 0.00 H new ATOM 1570 N ALA A 104 -6.344 -12.318 3.895 1.00 0.00 N ATOM 1571 CA ALA A 104 -7.146 -11.689 4.937 1.00 0.00 C ATOM 1572 C ALA A 104 -8.406 -12.499 5.224 1.00 0.00 C ATOM 1573 O ALA A 104 -8.960 -13.163 4.347 1.00 0.00 O ATOM 1574 CB ALA A 104 -7.511 -10.267 4.537 1.00 0.00 C ATOM 0 H ALA A 104 -6.887 -12.747 3.146 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.550 -11.657 5.849 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -8.110 -9.810 5.325 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -6.601 -9.686 4.389 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -8.084 -10.286 3.610 1.00 0.00 H new ATOM 1580 N PRO A 105 -8.871 -12.446 6.481 1.00 0.00 N ATOM 1581 CA PRO A 105 -10.071 -13.169 6.912 1.00 0.00 C ATOM 1582 C PRO A 105 -11.346 -12.587 6.311 1.00 0.00 C ATOM 1583 O PRO A 105 -11.647 -11.408 6.492 1.00 0.00 O ATOM 1584 CB PRO A 105 -10.066 -12.990 8.432 1.00 0.00 C ATOM 1585 CG PRO A 105 -9.301 -11.732 8.663 1.00 0.00 C ATOM 1586 CD PRO A 105 -8.262 -11.675 7.578 1.00 0.00 C ATOM 0 HA PRO A 105 -10.056 -14.211 6.592 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -11.080 -12.915 8.825 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -9.594 -13.837 8.929 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -9.957 -10.863 8.621 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -8.836 -11.733 9.649 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -8.050 -10.649 7.278 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.318 -12.114 7.902 1.00 0.00 H new ATOM 1594 N ALA A 106 -12.093 -13.422 5.597 1.00 0.00 N ATOM 1595 CA ALA A 106 -13.337 -12.991 4.972 1.00 0.00 C ATOM 1596 C ALA A 106 -14.081 -11.999 5.858 1.00 0.00 C ATOM 1597 O ALA A 106 -14.809 -11.136 5.366 1.00 0.00 O ATOM 1598 CB ALA A 106 -14.218 -14.193 4.665 1.00 0.00 C ATOM 0 H ALA A 106 -11.858 -14.402 5.437 1.00 0.00 H new ATOM 0 HA ALA A 106 -13.090 -12.488 4.037 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -15.144 -13.856 4.198 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -13.693 -14.865 3.986 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -14.449 -14.720 5.590 1.00 0.00 H new ATOM 1604 N ALA A 107 -13.895 -12.127 7.168 1.00 0.00 N ATOM 1605 CA ALA A 107 -14.548 -11.240 8.123 1.00 0.00 C ATOM 1606 C ALA A 107 -14.089 -9.798 7.937 1.00 0.00 C ATOM 1607 O ALA A 107 -14.907 -8.887 7.819 1.00 0.00 O ATOM 1608 CB ALA A 107 -14.275 -11.704 9.546 1.00 0.00 C ATOM 0 H ALA A 107 -13.297 -12.837 7.592 1.00 0.00 H new ATOM 0 HA ALA A 107 -15.622 -11.277 7.940 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -14.769 -11.033 10.249 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -14.660 -12.715 9.679 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -13.201 -11.697 9.731 1.00 0.00 H new ATOM 1614 N GLU A 108 -12.774 -9.600 7.911 1.00 0.00 N ATOM 1615 CA GLU A 108 -12.207 -8.267 7.741 1.00 0.00 C ATOM 1616 C GLU A 108 -12.116 -7.900 6.263 1.00 0.00 C ATOM 1617 O GLU A 108 -12.409 -6.769 5.874 1.00 0.00 O ATOM 1618 CB GLU A 108 -10.820 -8.193 8.383 1.00 0.00 C ATOM 1619 CG GLU A 108 -10.802 -8.611 9.843 1.00 0.00 C ATOM 1620 CD GLU A 108 -9.439 -8.435 10.484 1.00 0.00 C ATOM 1621 OE1 GLU A 108 -8.427 -8.736 9.816 1.00 0.00 O ATOM 1622 OE2 GLU A 108 -9.384 -7.997 11.652 1.00 0.00 O ATOM 0 H GLU A 108 -12.083 -10.344 8.005 1.00 0.00 H new ATOM 0 HA GLU A 108 -12.866 -7.553 8.235 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -10.135 -8.830 7.823 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -10.445 -7.173 8.301 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -11.537 -8.024 10.394 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -11.104 -9.655 9.922 1.00 0.00 H new ATOM 1629 N ARG A 109 -11.707 -8.863 5.444 1.00 0.00 N ATOM 1630 CA ARG A 109 -11.575 -8.641 4.009 1.00 0.00 C ATOM 1631 C ARG A 109 -12.651 -7.683 3.506 1.00 0.00 C ATOM 1632 O ARG A 109 -12.355 -6.711 2.812 1.00 0.00 O ATOM 1633 CB ARG A 109 -11.667 -9.969 3.255 1.00 0.00 C ATOM 1634 CG ARG A 109 -11.098 -9.911 1.847 1.00 0.00 C ATOM 1635 CD ARG A 109 -12.161 -9.519 0.833 1.00 0.00 C ATOM 1636 NE ARG A 109 -13.234 -10.507 0.754 1.00 0.00 N ATOM 1637 CZ ARG A 109 -14.343 -10.333 0.045 1.00 0.00 C ATOM 1638 NH1 ARG A 109 -14.525 -9.215 -0.644 1.00 0.00 N ATOM 1639 NH2 ARG A 109 -15.274 -11.279 0.023 1.00 0.00 N ATOM 0 H ARG A 109 -11.461 -9.805 5.749 1.00 0.00 H new ATOM 0 HA ARG A 109 -10.599 -8.193 3.824 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -11.137 -10.736 3.821 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -12.712 -10.276 3.203 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -10.279 -9.192 1.814 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -10.681 -10.882 1.582 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -12.580 -8.550 1.104 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -11.701 -9.404 -0.148 1.00 0.00 H new ATOM 0 HE ARG A 109 -13.125 -11.379 1.272 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -13.812 -8.486 -0.630 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -15.378 -9.084 -1.188 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -15.138 -12.141 0.551 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -16.125 -11.144 -0.522 1.00 0.00 H new ATOM 1653 N GLY A 110 -13.901 -7.966 3.860 1.00 0.00 N ATOM 1654 CA GLY A 110 -15.001 -7.121 3.435 1.00 0.00 C ATOM 1655 C GLY A 110 -14.685 -5.644 3.573 1.00 0.00 C ATOM 1656 O GLY A 110 -14.928 -4.862 2.654 1.00 0.00 O ATOM 0 H GLY A 110 -14.171 -8.765 4.433 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -15.244 -7.342 2.396 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -15.886 -7.357 4.026 1.00 0.00 H new ATOM 1660 N ASP A 111 -14.144 -5.262 4.724 1.00 0.00 N ATOM 1661 CA ASP A 111 -13.795 -3.869 4.980 1.00 0.00 C ATOM 1662 C ASP A 111 -12.398 -3.554 4.455 1.00 0.00 C ATOM 1663 O ASP A 111 -12.199 -2.571 3.741 1.00 0.00 O ATOM 1664 CB ASP A 111 -13.871 -3.569 6.478 1.00 0.00 C ATOM 1665 CG ASP A 111 -15.248 -3.102 6.906 1.00 0.00 C ATOM 1666 OD1 ASP A 111 -16.246 -3.619 6.362 1.00 0.00 O ATOM 1667 OD2 ASP A 111 -15.327 -2.219 7.785 1.00 0.00 O ATOM 0 H ASP A 111 -13.937 -5.897 5.495 1.00 0.00 H new ATOM 0 HA ASP A 111 -14.512 -3.238 4.455 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -13.604 -4.465 7.039 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -13.137 -2.804 6.730 1.00 0.00 H new ATOM 1672 N TRP A 112 -11.433 -4.394 4.815 1.00 0.00 N ATOM 1673 CA TRP A 112 -10.054 -4.204 4.381 1.00 0.00 C ATOM 1674 C TRP A 112 -10.001 -3.614 2.976 1.00 0.00 C ATOM 1675 O TRP A 112 -9.618 -2.459 2.791 1.00 0.00 O ATOM 1676 CB TRP A 112 -9.298 -5.533 4.418 1.00 0.00 C ATOM 1677 CG TRP A 112 -8.630 -5.800 5.733 1.00 0.00 C ATOM 1678 CD1 TRP A 112 -8.785 -6.905 6.521 1.00 0.00 C ATOM 1679 CD2 TRP A 112 -7.704 -4.946 6.412 1.00 0.00 C ATOM 1680 NE1 TRP A 112 -8.010 -6.789 7.650 1.00 0.00 N ATOM 1681 CE2 TRP A 112 -7.337 -5.597 7.607 1.00 0.00 C ATOM 1682 CE3 TRP A 112 -7.147 -3.696 6.128 1.00 0.00 C ATOM 1683 CZ2 TRP A 112 -6.440 -5.037 8.513 1.00 0.00 C ATOM 1684 CZ3 TRP A 112 -6.258 -3.143 7.029 1.00 0.00 C ATOM 1685 CH2 TRP A 112 -5.911 -3.813 8.209 1.00 0.00 C ATOM 0 H TRP A 112 -11.581 -5.212 5.406 1.00 0.00 H new ATOM 0 HA TRP A 112 -9.577 -3.504 5.067 1.00 0.00 H new ATOM 0 HB2 TRP A 112 -9.993 -6.344 4.200 1.00 0.00 H new ATOM 0 HB3 TRP A 112 -8.546 -5.537 3.629 1.00 0.00 H new ATOM 0 HD1 TRP A 112 -9.423 -7.746 6.291 1.00 0.00 H new ATOM 0 HE1 TRP A 112 -7.946 -7.479 8.399 1.00 0.00 H new ATOM 0 HE3 TRP A 112 -7.407 -3.172 5.220 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 -6.171 -5.551 9.424 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 -5.823 -2.177 6.820 1.00 0.00 H new ATOM 0 HH2 TRP A 112 -5.212 -3.354 8.892 1.00 0.00 H new ATOM 1696 N VAL A 113 -10.389 -4.414 1.988 1.00 0.00 N ATOM 1697 CA VAL A 113 -10.387 -3.970 0.599 1.00 0.00 C ATOM 1698 C VAL A 113 -11.098 -2.629 0.450 1.00 0.00 C ATOM 1699 O VAL A 113 -10.613 -1.733 -0.240 1.00 0.00 O ATOM 1700 CB VAL A 113 -11.065 -5.002 -0.321 1.00 0.00 C ATOM 1701 CG1 VAL A 113 -11.152 -4.473 -1.745 1.00 0.00 C ATOM 1702 CG2 VAL A 113 -10.315 -6.325 -0.280 1.00 0.00 C ATOM 0 H VAL A 113 -10.709 -5.373 2.124 1.00 0.00 H new ATOM 0 HA VAL A 113 -9.344 -3.860 0.303 1.00 0.00 H new ATOM 0 HB VAL A 113 -12.079 -5.174 0.040 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -11.634 -5.216 -2.380 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -11.736 -3.553 -1.756 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -10.149 -4.271 -2.120 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -10.808 -7.043 -0.936 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -9.289 -6.172 -0.615 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -10.310 -6.709 0.740 1.00 0.00 H new ATOM 1712 N GLN A 114 -12.249 -2.500 1.102 1.00 0.00 N ATOM 1713 CA GLN A 114 -13.026 -1.268 1.041 1.00 0.00 C ATOM 1714 C GLN A 114 -12.195 -0.076 1.506 1.00 0.00 C ATOM 1715 O GLN A 114 -11.882 0.818 0.721 1.00 0.00 O ATOM 1716 CB GLN A 114 -14.286 -1.392 1.900 1.00 0.00 C ATOM 1717 CG GLN A 114 -15.151 -0.142 1.896 1.00 0.00 C ATOM 1718 CD GLN A 114 -16.555 -0.402 2.404 1.00 0.00 C ATOM 1719 OE1 GLN A 114 -17.340 -1.101 1.762 1.00 0.00 O ATOM 1720 NE2 GLN A 114 -16.880 0.160 3.562 1.00 0.00 N ATOM 0 H GLN A 114 -12.664 -3.233 1.678 1.00 0.00 H new ATOM 0 HA GLN A 114 -13.316 -1.103 0.003 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -14.878 -2.234 1.542 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -13.995 -1.619 2.926 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -14.681 0.622 2.515 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -15.203 0.256 0.882 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -16.198 0.732 4.061 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -17.812 0.020 3.953 1.00 0.00 H new ATOM 1729 N ALA A 115 -11.842 -0.072 2.787 1.00 0.00 N ATOM 1730 CA ALA A 115 -11.046 1.009 3.356 1.00 0.00 C ATOM 1731 C ALA A 115 -9.831 1.313 2.486 1.00 0.00 C ATOM 1732 O ALA A 115 -9.673 2.429 1.992 1.00 0.00 O ATOM 1733 CB ALA A 115 -10.610 0.655 4.770 1.00 0.00 C ATOM 0 H ALA A 115 -12.094 -0.805 3.450 1.00 0.00 H new ATOM 0 HA ALA A 115 -11.667 1.904 3.392 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -10.017 1.471 5.183 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -11.490 0.495 5.393 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -10.011 -0.255 4.749 1.00 0.00 H new ATOM 1739 N ILE A 116 -8.976 0.312 2.303 1.00 0.00 N ATOM 1740 CA ILE A 116 -7.775 0.474 1.492 1.00 0.00 C ATOM 1741 C ILE A 116 -8.093 1.164 0.170 1.00 0.00 C ATOM 1742 O ILE A 116 -7.317 1.990 -0.312 1.00 0.00 O ATOM 1743 CB ILE A 116 -7.106 -0.883 1.202 1.00 0.00 C ATOM 1744 CG1 ILE A 116 -6.697 -1.565 2.509 1.00 0.00 C ATOM 1745 CG2 ILE A 116 -5.898 -0.694 0.296 1.00 0.00 C ATOM 1746 CD1 ILE A 116 -6.251 -2.999 2.328 1.00 0.00 C ATOM 0 H ILE A 116 -9.092 -0.618 2.705 1.00 0.00 H new ATOM 0 HA ILE A 116 -7.087 1.095 2.066 1.00 0.00 H new ATOM 0 HB ILE A 116 -7.824 -1.524 0.690 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -5.888 -0.997 2.968 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -7.538 -1.539 3.202 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -5.435 -1.661 0.100 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -6.216 -0.246 -0.646 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -5.176 -0.039 0.784 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -5.976 -3.419 3.295 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -7.065 -3.582 1.897 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -5.390 -3.031 1.661 1.00 0.00 H new ATOM 1758 N CYS A 117 -9.238 0.822 -0.409 1.00 0.00 N ATOM 1759 CA CYS A 117 -9.660 1.411 -1.675 1.00 0.00 C ATOM 1760 C CYS A 117 -10.064 2.869 -1.489 1.00 0.00 C ATOM 1761 O CYS A 117 -9.867 3.698 -2.379 1.00 0.00 O ATOM 1762 CB CYS A 117 -10.826 0.617 -2.266 1.00 0.00 C ATOM 1763 SG CYS A 117 -11.327 1.160 -3.917 1.00 0.00 S ATOM 0 H CYS A 117 -9.891 0.140 -0.022 1.00 0.00 H new ATOM 0 HA CYS A 117 -8.817 1.373 -2.365 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -10.549 -0.436 -2.310 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -11.681 0.694 -1.595 1.00 0.00 H new ATOM 0 HG CYS A 117 -12.317 0.428 -4.333 1.00 0.00 H new ATOM 1769 N LEU A 118 -10.632 3.177 -0.328 1.00 0.00 N ATOM 1770 CA LEU A 118 -11.066 4.537 -0.025 1.00 0.00 C ATOM 1771 C LEU A 118 -9.868 5.456 0.186 1.00 0.00 C ATOM 1772 O LEU A 118 -9.933 6.654 -0.097 1.00 0.00 O ATOM 1773 CB LEU A 118 -11.955 4.544 1.220 1.00 0.00 C ATOM 1774 CG LEU A 118 -13.453 4.362 0.976 1.00 0.00 C ATOM 1775 CD1 LEU A 118 -13.752 2.940 0.526 1.00 0.00 C ATOM 1776 CD2 LEU A 118 -14.243 4.702 2.232 1.00 0.00 C ATOM 0 H LEU A 118 -10.803 2.504 0.419 1.00 0.00 H new ATOM 0 HA LEU A 118 -11.639 4.907 -0.875 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -11.617 3.751 1.888 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -11.805 5.488 1.744 1.00 0.00 H new ATOM 0 HG LEU A 118 -13.758 5.044 0.182 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -14.823 2.829 0.357 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -13.215 2.731 -0.399 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -13.432 2.239 1.297 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -15.307 4.567 2.040 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -13.935 4.045 3.045 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -14.053 5.738 2.512 1.00 0.00 H new ATOM 1788 N LEU A 119 -8.774 4.890 0.683 1.00 0.00 N ATOM 1789 CA LEU A 119 -7.559 5.658 0.930 1.00 0.00 C ATOM 1790 C LEU A 119 -6.605 5.565 -0.256 1.00 0.00 C ATOM 1791 O LEU A 119 -6.263 6.575 -0.871 1.00 0.00 O ATOM 1792 CB LEU A 119 -6.864 5.158 2.198 1.00 0.00 C ATOM 1793 CG LEU A 119 -7.541 5.518 3.521 1.00 0.00 C ATOM 1794 CD1 LEU A 119 -6.991 4.663 4.652 1.00 0.00 C ATOM 1795 CD2 LEU A 119 -7.357 6.997 3.829 1.00 0.00 C ATOM 0 H LEU A 119 -8.703 3.901 0.923 1.00 0.00 H new ATOM 0 HA LEU A 119 -7.841 6.702 1.065 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -6.781 4.073 2.139 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -5.849 5.555 2.213 1.00 0.00 H new ATOM 0 HG LEU A 119 -8.608 5.317 3.428 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -7.484 4.933 5.586 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -7.175 3.611 4.435 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -5.918 4.831 4.747 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -7.845 7.235 4.774 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -6.293 7.224 3.903 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -7.800 7.593 3.031 1.00 0.00 H new ATOM 1807 N ALA A 120 -6.180 4.346 -0.573 1.00 0.00 N ATOM 1808 CA ALA A 120 -5.269 4.121 -1.689 1.00 0.00 C ATOM 1809 C ALA A 120 -5.743 4.852 -2.941 1.00 0.00 C ATOM 1810 O ALA A 120 -4.934 5.310 -3.747 1.00 0.00 O ATOM 1811 CB ALA A 120 -5.132 2.631 -1.965 1.00 0.00 C ATOM 0 H ALA A 120 -6.452 3.500 -0.073 1.00 0.00 H new ATOM 0 HA ALA A 120 -4.292 4.520 -1.415 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -4.449 2.477 -2.801 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -4.740 2.131 -1.079 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -6.109 2.216 -2.213 1.00 0.00 H new ATOM 1817 N PHE A 121 -7.058 4.956 -3.097 1.00 0.00 N ATOM 1818 CA PHE A 121 -7.639 5.630 -4.252 1.00 0.00 C ATOM 1819 C PHE A 121 -8.534 6.787 -3.814 1.00 0.00 C ATOM 1820 O PHE A 121 -9.519 7.109 -4.478 1.00 0.00 O ATOM 1821 CB PHE A 121 -8.444 4.639 -5.096 1.00 0.00 C ATOM 1822 CG PHE A 121 -7.720 3.350 -5.360 1.00 0.00 C ATOM 1823 CD1 PHE A 121 -7.387 2.501 -4.317 1.00 0.00 C ATOM 1824 CD2 PHE A 121 -7.372 2.988 -6.651 1.00 0.00 C ATOM 1825 CE1 PHE A 121 -6.721 1.314 -4.556 1.00 0.00 C ATOM 1826 CE2 PHE A 121 -6.707 1.802 -6.897 1.00 0.00 C ATOM 1827 CZ PHE A 121 -6.380 0.964 -5.848 1.00 0.00 C ATOM 0 H PHE A 121 -7.742 4.582 -2.438 1.00 0.00 H new ATOM 0 HA PHE A 121 -6.824 6.032 -4.854 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -9.384 4.421 -4.588 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -8.697 5.106 -6.048 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -7.651 2.770 -3.305 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -7.623 3.640 -7.474 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -6.468 0.661 -3.734 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -6.443 1.530 -7.908 1.00 0.00 H new ATOM 0 HZ PHE A 121 -5.859 0.037 -6.038 1.00 0.00 H new