USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 569 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 33 THR OG1 : rot 27:sc= 1.18 USER MOD Set 1.2: A 59 TYR OH : rot -152:sc= 0.537 USER MOD Set 2.1: A 9 CYS SG : rot 112:sc= -2.96! USER MOD Set 2.2: A 62 HIS : no HD1:sc= 0.497 K(o=-2.5,f=-3.8) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl 156:sc= -0.0782 (180deg=-0.493) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -141:sc= -0.484 (180deg=-2.05!) USER MOD Single : A 31 LYS NZ :NH3+ -179:sc= 0.885 (180deg=0.884) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl -154:sc= -0.023 (180deg=-0.116) USER MOD Single : A 71 LYS NZ :NH3+ -168:sc= 0.0389 (180deg=0.0259) USER MOD Single : A 73 MET CE :methyl -138:sc= -2.22! (180deg=-3.06!) USER MOD Single : A 78 GLN : amide:sc= -4.49! C(o=-4.5!,f=-12!) USER MOD Single : A 82 HIS :FLIP no HD1:sc= -0.0616 F(o=-0.6,f=-0.062) USER MOD Single : A 83 GLN : amide:sc= -0.0434 K(o=-0.043,f=-1.2!) USER MOD ----------------------------------------------------------------- ATOM 80 N CYS A 9 0.062 7.137 5.077 1.00 0.00 N ATOM 81 CA CYS A 9 -0.922 6.435 4.261 1.00 0.00 C ATOM 82 C CYS A 9 -0.294 5.228 3.570 1.00 0.00 C ATOM 83 O CYS A 9 0.665 5.365 2.811 1.00 0.00 O ATOM 84 CB CYS A 9 -1.519 7.381 3.218 1.00 0.00 C ATOM 85 SG CYS A 9 -3.221 6.987 2.752 1.00 0.00 S ATOM 0 HA CYS A 9 -1.717 6.082 4.918 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.486 8.399 3.606 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -0.895 7.360 2.325 1.00 0.00 H new ATOM 0 HG CYS A 9 -4.015 7.926 3.175 1.00 0.00 H new ATOM 91 N ARG A 10 -0.840 4.048 3.840 1.00 0.00 N ATOM 92 CA ARG A 10 -0.332 2.817 3.247 1.00 0.00 C ATOM 93 C ARG A 10 -1.458 2.023 2.591 1.00 0.00 C ATOM 94 O ARG A 10 -2.502 1.786 3.201 1.00 0.00 O ATOM 95 CB ARG A 10 0.357 1.960 4.311 1.00 0.00 C ATOM 96 CG ARG A 10 1.834 2.276 4.485 1.00 0.00 C ATOM 97 CD ARG A 10 2.483 1.358 5.509 1.00 0.00 C ATOM 98 NE ARG A 10 3.825 1.805 5.872 1.00 0.00 N ATOM 99 CZ ARG A 10 4.461 1.408 6.968 1.00 0.00 C ATOM 100 NH1 ARG A 10 3.880 0.558 7.804 1.00 0.00 N ATOM 101 NH2 ARG A 10 5.681 1.859 7.230 1.00 0.00 N ATOM 0 H ARG A 10 -1.635 3.918 4.466 1.00 0.00 H new ATOM 0 HA ARG A 10 0.394 3.086 2.480 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -0.151 2.102 5.265 1.00 0.00 H new ATOM 0 HB3 ARG A 10 0.248 0.909 4.045 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.344 2.173 3.527 1.00 0.00 H new ATOM 0 HG3 ARG A 10 1.951 3.313 4.799 1.00 0.00 H new ATOM 0 HD2 ARG A 10 1.861 1.315 6.403 1.00 0.00 H new ATOM 0 HD3 ARG A 10 2.534 0.346 5.108 1.00 0.00 H new ATOM 0 HE ARG A 10 4.300 2.458 5.249 1.00 0.00 H new ATOM 0 HH11 ARG A 10 2.943 0.208 7.606 1.00 0.00 H new ATOM 0 HH12 ARG A 10 4.370 0.254 8.645 1.00 0.00 H new ATOM 0 HH21 ARG A 10 6.132 2.512 6.589 1.00 0.00 H new ATOM 0 HH22 ARG A 10 6.168 1.553 8.072 1.00 0.00 H new ATOM 115 N LEU A 11 -1.240 1.617 1.345 1.00 0.00 N ATOM 116 CA LEU A 11 -2.237 0.851 0.605 1.00 0.00 C ATOM 117 C LEU A 11 -1.990 -0.648 0.750 1.00 0.00 C ATOM 118 O LEU A 11 -0.853 -1.112 0.656 1.00 0.00 O ATOM 119 CB LEU A 11 -2.216 1.242 -0.873 1.00 0.00 C ATOM 120 CG LEU A 11 -2.662 2.669 -1.196 1.00 0.00 C ATOM 121 CD1 LEU A 11 -2.698 2.889 -2.700 1.00 0.00 C ATOM 122 CD2 LEU A 11 -4.024 2.954 -0.581 1.00 0.00 C ATOM 0 H LEU A 11 -0.382 1.805 0.826 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.218 1.081 1.021 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.202 1.105 -1.250 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.856 0.550 -1.420 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.939 3.362 -0.765 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.017 3.910 -2.911 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.703 2.727 -3.115 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.399 2.188 -3.154 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.325 3.974 -0.821 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.758 2.255 -0.982 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.966 2.838 0.501 1.00 0.00 H new ATOM 134 N PHE A 12 -3.061 -1.400 0.977 1.00 0.00 N ATOM 135 CA PHE A 12 -2.961 -2.846 1.133 1.00 0.00 C ATOM 136 C PHE A 12 -2.980 -3.543 -0.225 1.00 0.00 C ATOM 137 O PHE A 12 -4.036 -3.704 -0.836 1.00 0.00 O ATOM 138 CB PHE A 12 -4.107 -3.368 2.002 1.00 0.00 C ATOM 139 CG PHE A 12 -4.054 -4.850 2.238 1.00 0.00 C ATOM 140 CD1 PHE A 12 -4.519 -5.734 1.277 1.00 0.00 C ATOM 141 CD2 PHE A 12 -3.540 -5.360 3.419 1.00 0.00 C ATOM 142 CE1 PHE A 12 -4.472 -7.099 1.492 1.00 0.00 C ATOM 143 CE2 PHE A 12 -3.491 -6.723 3.639 1.00 0.00 C ATOM 144 CZ PHE A 12 -3.957 -7.594 2.673 1.00 0.00 C ATOM 0 H PHE A 12 -4.009 -1.032 1.057 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.013 -3.068 1.623 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -4.086 -2.854 2.963 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.056 -3.118 1.527 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -4.922 -5.353 0.351 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.173 -4.684 4.177 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -4.838 -7.778 0.736 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.089 -7.107 4.565 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.918 -8.660 2.842 1.00 0.00 H new ATOM 154 N ILE A 13 -1.804 -3.952 -0.689 1.00 0.00 N ATOM 155 CA ILE A 13 -1.685 -4.631 -1.974 1.00 0.00 C ATOM 156 C ILE A 13 -1.558 -6.139 -1.788 1.00 0.00 C ATOM 157 O ILE A 13 -0.492 -6.645 -1.442 1.00 0.00 O ATOM 158 CB ILE A 13 -0.472 -4.119 -2.771 1.00 0.00 C ATOM 159 CG1 ILE A 13 -0.411 -2.590 -2.724 1.00 0.00 C ATOM 160 CG2 ILE A 13 -0.539 -4.607 -4.210 1.00 0.00 C ATOM 161 CD1 ILE A 13 -1.678 -1.920 -3.208 1.00 0.00 C ATOM 0 H ILE A 13 -0.921 -3.825 -0.195 1.00 0.00 H new ATOM 0 HA ILE A 13 -2.595 -4.411 -2.533 1.00 0.00 H new ATOM 0 HB ILE A 13 0.436 -4.515 -2.315 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.210 -2.274 -1.700 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.426 -2.249 -3.333 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.326 -4.236 -4.760 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.539 -5.697 -4.225 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.452 -4.238 -4.677 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.563 -0.838 -3.147 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.869 -2.207 -4.242 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.516 -2.232 -2.584 1.00 0.00 H new ATOM 173 N GLY A 14 -2.654 -6.854 -2.024 1.00 0.00 N ATOM 174 CA GLY A 14 -2.644 -8.298 -1.880 1.00 0.00 C ATOM 175 C GLY A 14 -2.764 -9.014 -3.210 1.00 0.00 C ATOM 176 O GLY A 14 -3.407 -8.519 -4.135 1.00 0.00 O ATOM 0 H GLY A 14 -3.549 -6.459 -2.312 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -1.721 -8.605 -1.388 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.467 -8.601 -1.232 1.00 0.00 H new ATOM 180 N GLY A 15 -2.141 -10.185 -3.309 1.00 0.00 N ATOM 181 CA GLY A 15 -2.191 -10.950 -4.540 1.00 0.00 C ATOM 182 C GLY A 15 -0.991 -10.696 -5.431 1.00 0.00 C ATOM 183 O GLY A 15 -1.139 -10.455 -6.629 1.00 0.00 O ATOM 0 H GLY A 15 -1.603 -10.617 -2.558 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.244 -12.012 -4.302 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.102 -10.699 -5.083 1.00 0.00 H new ATOM 187 N ILE A 16 0.200 -10.749 -4.844 1.00 0.00 N ATOM 188 CA ILE A 16 1.430 -10.522 -5.593 1.00 0.00 C ATOM 189 C ILE A 16 2.410 -11.675 -5.404 1.00 0.00 C ATOM 190 O ILE A 16 2.403 -12.367 -4.386 1.00 0.00 O ATOM 191 CB ILE A 16 2.113 -9.208 -5.169 1.00 0.00 C ATOM 192 CG1 ILE A 16 2.283 -9.164 -3.649 1.00 0.00 C ATOM 193 CG2 ILE A 16 1.307 -8.012 -5.652 1.00 0.00 C ATOM 194 CD1 ILE A 16 3.336 -8.181 -3.187 1.00 0.00 C ATOM 0 H ILE A 16 0.339 -10.947 -3.853 1.00 0.00 H new ATOM 0 HA ILE A 16 1.151 -10.454 -6.644 1.00 0.00 H new ATOM 0 HB ILE A 16 3.101 -9.165 -5.628 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.328 -8.903 -3.192 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.546 -10.160 -3.292 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.803 -7.091 -5.345 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.233 -8.038 -6.739 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.307 -8.048 -5.219 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.402 -8.203 -2.099 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.301 -8.453 -3.615 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.065 -7.177 -3.514 1.00 0.00 H new ATOM 206 N PRO A 17 3.275 -11.887 -6.407 1.00 0.00 N ATOM 207 CA PRO A 17 4.279 -12.955 -6.374 1.00 0.00 C ATOM 208 C PRO A 17 5.378 -12.685 -5.353 1.00 0.00 C ATOM 209 O PRO A 17 5.958 -11.599 -5.321 1.00 0.00 O ATOM 210 CB PRO A 17 4.853 -12.946 -7.793 1.00 0.00 C ATOM 211 CG PRO A 17 4.623 -11.559 -8.286 1.00 0.00 C ATOM 212 CD PRO A 17 3.339 -11.101 -7.651 1.00 0.00 C ATOM 0 HA PRO A 17 3.847 -13.912 -6.080 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.914 -13.195 -7.792 1.00 0.00 H new ATOM 0 HB3 PRO A 17 4.354 -13.679 -8.427 1.00 0.00 H new ATOM 0 HG2 PRO A 17 5.450 -10.905 -8.010 1.00 0.00 H new ATOM 0 HG3 PRO A 17 4.550 -11.539 -9.373 1.00 0.00 H new ATOM 0 HD2 PRO A 17 3.350 -10.030 -7.450 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.481 -11.296 -8.294 1.00 0.00 H new ATOM 220 N LYS A 18 5.661 -13.680 -4.519 1.00 0.00 N ATOM 221 CA LYS A 18 6.693 -13.551 -3.496 1.00 0.00 C ATOM 222 C LYS A 18 8.080 -13.491 -4.128 1.00 0.00 C ATOM 223 O LYS A 18 8.912 -12.669 -3.744 1.00 0.00 O ATOM 224 CB LYS A 18 6.618 -14.724 -2.516 1.00 0.00 C ATOM 225 CG LYS A 18 5.249 -14.899 -1.880 1.00 0.00 C ATOM 226 CD LYS A 18 4.989 -16.348 -1.505 1.00 0.00 C ATOM 227 CE LYS A 18 3.540 -16.567 -1.099 1.00 0.00 C ATOM 228 NZ LYS A 18 3.278 -17.983 -0.719 1.00 0.00 N ATOM 0 H LYS A 18 5.190 -14.585 -4.531 1.00 0.00 H new ATOM 0 HA LYS A 18 6.519 -12.621 -2.954 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.886 -15.642 -3.040 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.359 -14.578 -1.730 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.178 -14.274 -0.990 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.479 -14.558 -2.572 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.233 -16.993 -2.349 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.646 -16.636 -0.684 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.295 -15.915 -0.261 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.885 -16.285 -1.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.280 -18.091 -0.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.487 -18.604 -1.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.884 -18.245 0.084 1.00 0.00 H new ATOM 242 N MET A 19 8.322 -14.366 -5.098 1.00 0.00 N ATOM 243 CA MET A 19 9.608 -14.409 -5.785 1.00 0.00 C ATOM 244 C MET A 19 10.179 -13.005 -5.958 1.00 0.00 C ATOM 245 O MET A 19 11.385 -12.794 -5.826 1.00 0.00 O ATOM 246 CB MET A 19 9.460 -15.084 -7.149 1.00 0.00 C ATOM 247 CG MET A 19 8.537 -14.339 -8.099 1.00 0.00 C ATOM 248 SD MET A 19 7.722 -15.433 -9.278 1.00 0.00 S ATOM 249 CE MET A 19 6.605 -16.324 -8.198 1.00 0.00 C ATOM 0 H MET A 19 7.645 -15.055 -5.426 1.00 0.00 H new ATOM 0 HA MET A 19 10.299 -14.990 -5.174 1.00 0.00 H new ATOM 0 HB2 MET A 19 10.444 -15.175 -7.609 1.00 0.00 H new ATOM 0 HB3 MET A 19 9.080 -16.096 -7.005 1.00 0.00 H new ATOM 0 HG2 MET A 19 7.781 -13.806 -7.522 1.00 0.00 H new ATOM 0 HG3 MET A 19 9.111 -13.588 -8.643 1.00 0.00 H new ATOM 0 HE1 MET A 19 5.765 -16.705 -8.778 1.00 0.00 H new ATOM 0 HE2 MET A 19 7.134 -17.157 -7.735 1.00 0.00 H new ATOM 0 HE3 MET A 19 6.236 -15.653 -7.423 1.00 0.00 H new ATOM 259 N LYS A 20 9.306 -12.049 -6.255 1.00 0.00 N ATOM 260 CA LYS A 20 9.723 -10.665 -6.446 1.00 0.00 C ATOM 261 C LYS A 20 10.309 -10.090 -5.161 1.00 0.00 C ATOM 262 O LYS A 20 10.315 -10.749 -4.120 1.00 0.00 O ATOM 263 CB LYS A 20 8.537 -9.812 -6.903 1.00 0.00 C ATOM 264 CG LYS A 20 7.795 -10.392 -8.095 1.00 0.00 C ATOM 265 CD LYS A 20 8.715 -10.573 -9.290 1.00 0.00 C ATOM 266 CE LYS A 20 8.034 -11.353 -10.405 1.00 0.00 C ATOM 267 NZ LYS A 20 9.018 -12.076 -11.258 1.00 0.00 N ATOM 0 H LYS A 20 8.305 -12.207 -6.369 1.00 0.00 H new ATOM 0 HA LYS A 20 10.494 -10.648 -7.216 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.841 -9.698 -6.072 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.894 -8.814 -7.158 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.359 -11.353 -7.821 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.970 -9.734 -8.366 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.024 -9.597 -9.664 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.619 -11.096 -8.978 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.334 -12.068 -9.973 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.451 -10.670 -11.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.514 -12.595 -12.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.671 -11.392 -11.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.557 -12.747 -10.674 1.00 0.00 H new ATOM 281 N LYS A 21 10.801 -8.859 -5.239 1.00 0.00 N ATOM 282 CA LYS A 21 11.388 -8.194 -4.081 1.00 0.00 C ATOM 283 C LYS A 21 10.757 -6.822 -3.864 1.00 0.00 C ATOM 284 O LYS A 21 10.235 -6.214 -4.798 1.00 0.00 O ATOM 285 CB LYS A 21 12.901 -8.048 -4.264 1.00 0.00 C ATOM 286 CG LYS A 21 13.682 -9.292 -3.879 1.00 0.00 C ATOM 287 CD LYS A 21 13.647 -10.336 -4.982 1.00 0.00 C ATOM 288 CE LYS A 21 14.681 -10.044 -6.059 1.00 0.00 C ATOM 289 NZ LYS A 21 14.133 -9.163 -7.128 1.00 0.00 N ATOM 0 H LYS A 21 10.805 -8.301 -6.093 1.00 0.00 H new ATOM 0 HA LYS A 21 11.192 -8.808 -3.202 1.00 0.00 H new ATOM 0 HB2 LYS A 21 13.111 -7.805 -5.306 1.00 0.00 H new ATOM 0 HB3 LYS A 21 13.252 -7.208 -3.664 1.00 0.00 H new ATOM 0 HG2 LYS A 21 14.716 -9.022 -3.665 1.00 0.00 H new ATOM 0 HG3 LYS A 21 13.267 -9.714 -2.964 1.00 0.00 H new ATOM 0 HD2 LYS A 21 13.832 -11.322 -4.557 1.00 0.00 H new ATOM 0 HD3 LYS A 21 12.653 -10.362 -5.428 1.00 0.00 H new ATOM 0 HE2 LYS A 21 15.552 -9.569 -5.607 1.00 0.00 H new ATOM 0 HE3 LYS A 21 15.022 -10.981 -6.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 14.488 -9.478 -8.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 13.094 -9.213 -7.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 14.433 -8.182 -6.957 1.00 0.00 H new ATOM 303 N ARG A 22 10.810 -6.341 -2.626 1.00 0.00 N ATOM 304 CA ARG A 22 10.244 -5.041 -2.287 1.00 0.00 C ATOM 305 C ARG A 22 10.675 -3.980 -3.295 1.00 0.00 C ATOM 306 O ARG A 22 9.897 -3.096 -3.650 1.00 0.00 O ATOM 307 CB ARG A 22 10.673 -4.626 -0.878 1.00 0.00 C ATOM 308 CG ARG A 22 12.166 -4.371 -0.747 1.00 0.00 C ATOM 309 CD ARG A 22 12.588 -4.274 0.711 1.00 0.00 C ATOM 310 NE ARG A 22 11.910 -3.183 1.405 1.00 0.00 N ATOM 311 CZ ARG A 22 12.240 -2.771 2.625 1.00 0.00 C ATOM 312 NH1 ARG A 22 13.232 -3.357 3.280 1.00 0.00 N ATOM 313 NH2 ARG A 22 11.576 -1.771 3.190 1.00 0.00 N ATOM 0 H ARG A 22 11.239 -6.832 -1.842 1.00 0.00 H new ATOM 0 HA ARG A 22 9.158 -5.127 -2.318 1.00 0.00 H new ATOM 0 HB2 ARG A 22 10.132 -3.723 -0.594 1.00 0.00 H new ATOM 0 HB3 ARG A 22 10.383 -5.406 -0.174 1.00 0.00 H new ATOM 0 HG2 ARG A 22 12.718 -5.175 -1.234 1.00 0.00 H new ATOM 0 HG3 ARG A 22 12.425 -3.447 -1.264 1.00 0.00 H new ATOM 0 HD2 ARG A 22 12.370 -5.215 1.215 1.00 0.00 H new ATOM 0 HD3 ARG A 22 13.666 -4.125 0.767 1.00 0.00 H new ATOM 0 HE ARG A 22 11.142 -2.711 0.928 1.00 0.00 H new ATOM 0 HH11 ARG A 22 13.744 -4.126 2.848 1.00 0.00 H new ATOM 0 HH12 ARG A 22 13.483 -3.039 4.216 1.00 0.00 H new ATOM 0 HH21 ARG A 22 10.812 -1.318 2.688 1.00 0.00 H new ATOM 0 HH22 ARG A 22 11.829 -1.455 4.126 1.00 0.00 H new ATOM 327 N GLU A 23 11.920 -4.077 -3.752 1.00 0.00 N ATOM 328 CA GLU A 23 12.454 -3.124 -4.718 1.00 0.00 C ATOM 329 C GLU A 23 11.681 -3.189 -6.031 1.00 0.00 C ATOM 330 O GLU A 23 11.426 -2.165 -6.664 1.00 0.00 O ATOM 331 CB GLU A 23 13.938 -3.400 -4.972 1.00 0.00 C ATOM 332 CG GLU A 23 14.236 -4.848 -5.323 1.00 0.00 C ATOM 333 CD GLU A 23 15.706 -5.089 -5.604 1.00 0.00 C ATOM 334 OE1 GLU A 23 16.241 -4.462 -6.542 1.00 0.00 O ATOM 335 OE2 GLU A 23 16.322 -5.904 -4.886 1.00 0.00 O ATOM 0 H GLU A 23 12.576 -4.805 -3.469 1.00 0.00 H new ATOM 0 HA GLU A 23 12.344 -2.123 -4.302 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.284 -2.760 -5.783 1.00 0.00 H new ATOM 0 HB3 GLU A 23 14.507 -3.126 -4.084 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.917 -5.490 -4.502 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.651 -5.134 -6.197 1.00 0.00 H new ATOM 342 N GLU A 24 11.311 -4.401 -6.434 1.00 0.00 N ATOM 343 CA GLU A 24 10.568 -4.600 -7.673 1.00 0.00 C ATOM 344 C GLU A 24 9.125 -4.126 -7.524 1.00 0.00 C ATOM 345 O GLU A 24 8.583 -3.467 -8.411 1.00 0.00 O ATOM 346 CB GLU A 24 10.592 -6.076 -8.077 1.00 0.00 C ATOM 347 CG GLU A 24 11.952 -6.552 -8.559 1.00 0.00 C ATOM 348 CD GLU A 24 12.275 -6.070 -9.960 1.00 0.00 C ATOM 349 OE1 GLU A 24 12.822 -4.955 -10.092 1.00 0.00 O ATOM 350 OE2 GLU A 24 11.982 -6.807 -10.924 1.00 0.00 O ATOM 0 H GLU A 24 11.514 -5.259 -5.921 1.00 0.00 H new ATOM 0 HA GLU A 24 11.048 -4.009 -8.453 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.285 -6.682 -7.225 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.858 -6.240 -8.866 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.721 -6.200 -7.871 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.980 -7.641 -8.538 1.00 0.00 H new ATOM 357 N ILE A 25 8.510 -4.466 -6.396 1.00 0.00 N ATOM 358 CA ILE A 25 7.131 -4.075 -6.131 1.00 0.00 C ATOM 359 C ILE A 25 6.959 -2.563 -6.232 1.00 0.00 C ATOM 360 O ILE A 25 6.163 -2.070 -7.033 1.00 0.00 O ATOM 361 CB ILE A 25 6.673 -4.540 -4.736 1.00 0.00 C ATOM 362 CG1 ILE A 25 6.787 -6.062 -4.619 1.00 0.00 C ATOM 363 CG2 ILE A 25 5.244 -4.089 -4.470 1.00 0.00 C ATOM 364 CD1 ILE A 25 6.996 -6.544 -3.200 1.00 0.00 C ATOM 0 H ILE A 25 8.945 -5.011 -5.651 1.00 0.00 H new ATOM 0 HA ILE A 25 6.514 -4.560 -6.888 1.00 0.00 H new ATOM 0 HB ILE A 25 7.322 -4.087 -3.987 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.882 -6.518 -5.020 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.617 -6.405 -5.237 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.935 -4.425 -3.480 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.191 -3.001 -4.517 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.581 -4.517 -5.222 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.068 -7.632 -3.192 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.916 -6.116 -2.802 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.154 -6.232 -2.582 1.00 0.00 H new ATOM 376 N LEU A 26 7.712 -1.832 -5.417 1.00 0.00 N ATOM 377 CA LEU A 26 7.645 -0.375 -5.416 1.00 0.00 C ATOM 378 C LEU A 26 7.541 0.167 -6.838 1.00 0.00 C ATOM 379 O LEU A 26 6.628 0.928 -7.157 1.00 0.00 O ATOM 380 CB LEU A 26 8.876 0.211 -4.723 1.00 0.00 C ATOM 381 CG LEU A 26 9.143 1.696 -4.972 1.00 0.00 C ATOM 382 CD1 LEU A 26 8.391 2.550 -3.962 1.00 0.00 C ATOM 383 CD2 LEU A 26 10.635 1.987 -4.912 1.00 0.00 C ATOM 0 H LEU A 26 8.375 -2.224 -4.749 1.00 0.00 H new ATOM 0 HA LEU A 26 6.751 -0.077 -4.868 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.772 0.056 -3.649 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.752 -0.354 -5.043 1.00 0.00 H new ATOM 0 HG LEU A 26 8.784 1.948 -5.970 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.593 3.604 -4.155 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.321 2.363 -4.053 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.720 2.296 -2.954 1.00 0.00 H new ATOM 0 HD21 LEU A 26 10.806 3.048 -5.091 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.019 1.719 -3.928 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.151 1.402 -5.674 1.00 0.00 H new ATOM 395 N GLU A 27 8.482 -0.233 -7.688 1.00 0.00 N ATOM 396 CA GLU A 27 8.495 0.212 -9.077 1.00 0.00 C ATOM 397 C GLU A 27 7.174 -0.120 -9.766 1.00 0.00 C ATOM 398 O GLU A 27 6.460 0.772 -10.223 1.00 0.00 O ATOM 399 CB GLU A 27 9.655 -0.438 -9.833 1.00 0.00 C ATOM 400 CG GLU A 27 10.156 0.388 -11.005 1.00 0.00 C ATOM 401 CD GLU A 27 10.715 -0.467 -12.126 1.00 0.00 C ATOM 402 OE1 GLU A 27 11.592 -1.311 -11.846 1.00 0.00 O ATOM 403 OE2 GLU A 27 10.276 -0.293 -13.281 1.00 0.00 O ATOM 0 H GLU A 27 9.244 -0.864 -7.440 1.00 0.00 H new ATOM 0 HA GLU A 27 8.627 1.294 -9.085 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.479 -0.608 -9.140 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.338 -1.415 -10.197 1.00 0.00 H new ATOM 0 HG2 GLU A 27 9.339 0.997 -11.391 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.928 1.074 -10.657 1.00 0.00 H new ATOM 410 N GLU A 28 6.858 -1.409 -9.838 1.00 0.00 N ATOM 411 CA GLU A 28 5.625 -1.858 -10.473 1.00 0.00 C ATOM 412 C GLU A 28 4.431 -1.046 -9.979 1.00 0.00 C ATOM 413 O GLU A 28 3.386 -1.002 -10.628 1.00 0.00 O ATOM 414 CB GLU A 28 5.394 -3.345 -10.196 1.00 0.00 C ATOM 415 CG GLU A 28 6.034 -4.263 -11.224 1.00 0.00 C ATOM 416 CD GLU A 28 5.585 -3.954 -12.640 1.00 0.00 C ATOM 417 OE1 GLU A 28 4.384 -4.127 -12.933 1.00 0.00 O ATOM 418 OE2 GLU A 28 6.436 -3.540 -13.454 1.00 0.00 O ATOM 0 H GLU A 28 7.438 -2.160 -9.465 1.00 0.00 H new ATOM 0 HA GLU A 28 5.725 -1.707 -11.548 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.789 -3.588 -9.209 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.322 -3.538 -10.167 1.00 0.00 H new ATOM 0 HG2 GLU A 28 7.118 -4.172 -11.162 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.787 -5.298 -10.986 1.00 0.00 H new ATOM 425 N ILE A 29 4.595 -0.406 -8.827 1.00 0.00 N ATOM 426 CA ILE A 29 3.533 0.405 -8.246 1.00 0.00 C ATOM 427 C ILE A 29 3.669 1.867 -8.657 1.00 0.00 C ATOM 428 O ILE A 29 2.676 2.541 -8.929 1.00 0.00 O ATOM 429 CB ILE A 29 3.531 0.314 -6.708 1.00 0.00 C ATOM 430 CG1 ILE A 29 2.915 -1.012 -6.255 1.00 0.00 C ATOM 431 CG2 ILE A 29 2.773 1.489 -6.109 1.00 0.00 C ATOM 432 CD1 ILE A 29 1.577 -1.307 -6.896 1.00 0.00 C ATOM 0 H ILE A 29 5.454 -0.433 -8.277 1.00 0.00 H new ATOM 0 HA ILE A 29 2.591 0.009 -8.626 1.00 0.00 H new ATOM 0 HB ILE A 29 4.561 0.354 -6.355 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.606 -1.822 -6.487 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.794 -0.996 -5.172 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.780 1.411 -5.022 1.00 0.00 H new ATOM 0 HG22 ILE A 29 3.251 2.421 -6.409 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.743 1.478 -6.467 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.200 -2.262 -6.529 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.870 -0.516 -6.643 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.695 -1.356 -7.978 1.00 0.00 H new ATOM 444 N ALA A 30 4.906 2.351 -8.701 1.00 0.00 N ATOM 445 CA ALA A 30 5.174 3.732 -9.083 1.00 0.00 C ATOM 446 C ALA A 30 4.576 4.049 -10.449 1.00 0.00 C ATOM 447 O ALA A 30 4.495 5.211 -10.849 1.00 0.00 O ATOM 448 CB ALA A 30 6.671 3.998 -9.084 1.00 0.00 C ATOM 0 H ALA A 30 5.739 1.807 -8.477 1.00 0.00 H new ATOM 0 HA ALA A 30 4.702 4.385 -8.349 1.00 0.00 H new ATOM 0 HB1 ALA A 30 6.856 5.033 -9.371 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.073 3.821 -8.086 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.159 3.331 -9.795 1.00 0.00 H new ATOM 454 N LYS A 31 4.160 3.009 -11.164 1.00 0.00 N ATOM 455 CA LYS A 31 3.570 3.175 -12.486 1.00 0.00 C ATOM 456 C LYS A 31 2.048 3.092 -12.417 1.00 0.00 C ATOM 457 O LYS A 31 1.345 3.975 -12.909 1.00 0.00 O ATOM 458 CB LYS A 31 4.107 2.110 -13.445 1.00 0.00 C ATOM 459 CG LYS A 31 4.438 0.793 -12.767 1.00 0.00 C ATOM 460 CD LYS A 31 4.996 -0.218 -13.754 1.00 0.00 C ATOM 461 CE LYS A 31 6.492 -0.034 -13.955 1.00 0.00 C ATOM 462 NZ LYS A 31 7.062 -1.073 -14.857 1.00 0.00 N ATOM 0 H LYS A 31 4.221 2.041 -10.849 1.00 0.00 H new ATOM 0 HA LYS A 31 3.846 4.162 -12.858 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.368 1.931 -14.226 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.003 2.492 -13.934 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.163 0.965 -11.972 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.541 0.388 -12.299 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.798 -1.227 -13.394 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.484 -0.115 -14.711 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.684 0.954 -14.373 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.996 -0.075 -12.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.086 -0.923 -14.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.887 -2.016 -14.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.611 -1.006 -15.792 1.00 0.00 H new ATOM 476 N VAL A 32 1.546 2.025 -11.803 1.00 0.00 N ATOM 477 CA VAL A 32 0.108 1.828 -11.667 1.00 0.00 C ATOM 478 C VAL A 32 -0.514 2.905 -10.786 1.00 0.00 C ATOM 479 O VAL A 32 -1.708 3.192 -10.884 1.00 0.00 O ATOM 480 CB VAL A 32 -0.215 0.444 -11.073 1.00 0.00 C ATOM 481 CG1 VAL A 32 0.549 -0.645 -11.810 1.00 0.00 C ATOM 482 CG2 VAL A 32 0.102 0.417 -9.585 1.00 0.00 C ATOM 0 H VAL A 32 2.114 1.284 -11.392 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.316 1.893 -12.669 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.281 0.253 -11.198 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.308 -1.616 -11.376 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.267 -0.638 -12.863 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.620 -0.463 -11.720 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.132 -0.568 -9.181 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.161 0.629 -9.435 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.495 1.171 -9.072 1.00 0.00 H new ATOM 492 N THR A 33 0.303 3.502 -9.923 1.00 0.00 N ATOM 493 CA THR A 33 -0.166 4.548 -9.023 1.00 0.00 C ATOM 494 C THR A 33 0.916 5.595 -8.786 1.00 0.00 C ATOM 495 O THR A 33 2.000 5.280 -8.297 1.00 0.00 O ATOM 496 CB THR A 33 -0.607 3.965 -7.667 1.00 0.00 C ATOM 497 OG1 THR A 33 0.521 3.410 -6.982 1.00 0.00 O ATOM 498 CG2 THR A 33 -1.669 2.893 -7.858 1.00 0.00 C ATOM 0 H THR A 33 1.294 3.278 -9.829 1.00 0.00 H new ATOM 0 HA THR A 33 -1.023 5.019 -9.504 1.00 0.00 H new ATOM 0 HB THR A 33 -1.032 4.772 -7.071 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.337 3.872 -7.267 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.964 2.496 -6.887 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.538 3.326 -8.353 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.266 2.087 -8.472 1.00 0.00 H new ATOM 506 N GLU A 34 0.613 6.841 -9.136 1.00 0.00 N ATOM 507 CA GLU A 34 1.562 7.935 -8.960 1.00 0.00 C ATOM 508 C GLU A 34 1.345 8.634 -7.621 1.00 0.00 C ATOM 509 O GLU A 34 0.227 9.019 -7.283 1.00 0.00 O ATOM 510 CB GLU A 34 1.428 8.944 -10.102 1.00 0.00 C ATOM 511 CG GLU A 34 2.154 8.529 -11.370 1.00 0.00 C ATOM 512 CD GLU A 34 2.275 9.662 -12.371 1.00 0.00 C ATOM 513 OE1 GLU A 34 2.878 10.699 -12.024 1.00 0.00 O ATOM 514 OE2 GLU A 34 1.767 9.510 -13.502 1.00 0.00 O ATOM 0 H GLU A 34 -0.281 7.118 -9.542 1.00 0.00 H new ATOM 0 HA GLU A 34 2.568 7.515 -8.972 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.371 9.085 -10.328 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.815 9.908 -9.771 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.150 8.169 -11.112 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.624 7.696 -11.832 1.00 0.00 H new ATOM 521 N GLY A 35 2.425 8.793 -6.861 1.00 0.00 N ATOM 522 CA GLY A 35 2.332 9.444 -5.567 1.00 0.00 C ATOM 523 C GLY A 35 2.820 8.559 -4.437 1.00 0.00 C ATOM 524 O GLY A 35 2.549 8.829 -3.267 1.00 0.00 O ATOM 0 H GLY A 35 3.362 8.483 -7.118 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.917 10.363 -5.583 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.297 9.729 -5.380 1.00 0.00 H new ATOM 528 N VAL A 36 3.540 7.498 -4.787 1.00 0.00 N ATOM 529 CA VAL A 36 4.066 6.571 -3.792 1.00 0.00 C ATOM 530 C VAL A 36 5.376 7.081 -3.203 1.00 0.00 C ATOM 531 O VAL A 36 6.086 7.869 -3.830 1.00 0.00 O ATOM 532 CB VAL A 36 4.299 5.173 -4.397 1.00 0.00 C ATOM 533 CG1 VAL A 36 3.193 4.827 -5.383 1.00 0.00 C ATOM 534 CG2 VAL A 36 5.663 5.102 -5.066 1.00 0.00 C ATOM 0 H VAL A 36 3.772 7.259 -5.751 1.00 0.00 H new ATOM 0 HA VAL A 36 3.319 6.498 -3.001 1.00 0.00 H new ATOM 0 HB VAL A 36 4.277 4.439 -3.591 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.374 3.836 -5.800 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.232 4.834 -4.869 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.179 5.562 -6.187 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.810 4.108 -5.488 1.00 0.00 H new ATOM 0 HG22 VAL A 36 5.717 5.845 -5.862 1.00 0.00 H new ATOM 0 HG23 VAL A 36 6.441 5.302 -4.329 1.00 0.00 H new ATOM 544 N LEU A 37 5.692 6.628 -1.995 1.00 0.00 N ATOM 545 CA LEU A 37 6.918 7.038 -1.320 1.00 0.00 C ATOM 546 C LEU A 37 7.868 5.857 -1.150 1.00 0.00 C ATOM 547 O LEU A 37 9.050 5.946 -1.481 1.00 0.00 O ATOM 548 CB LEU A 37 6.593 7.646 0.046 1.00 0.00 C ATOM 549 CG LEU A 37 7.564 8.711 0.555 1.00 0.00 C ATOM 550 CD1 LEU A 37 7.744 9.809 -0.482 1.00 0.00 C ATOM 551 CD2 LEU A 37 7.073 9.294 1.872 1.00 0.00 C ATOM 0 H LEU A 37 5.116 5.976 -1.463 1.00 0.00 H new ATOM 0 HA LEU A 37 7.409 7.789 -1.938 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.596 8.085 -0.002 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.552 6.841 0.779 1.00 0.00 H new ATOM 0 HG LEU A 37 8.532 8.240 0.727 1.00 0.00 H new ATOM 0 HD11 LEU A 37 8.439 10.558 -0.102 1.00 0.00 H new ATOM 0 HD12 LEU A 37 8.141 9.379 -1.402 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.781 10.278 -0.687 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.776 10.051 2.220 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.093 9.749 1.726 1.00 0.00 H new ATOM 0 HD23 LEU A 37 6.997 8.500 2.615 1.00 0.00 H new ATOM 563 N ASP A 38 7.342 4.751 -0.635 1.00 0.00 N ATOM 564 CA ASP A 38 8.142 3.550 -0.425 1.00 0.00 C ATOM 565 C ASP A 38 7.249 2.327 -0.240 1.00 0.00 C ATOM 566 O ASP A 38 6.051 2.454 0.015 1.00 0.00 O ATOM 567 CB ASP A 38 9.050 3.723 0.794 1.00 0.00 C ATOM 568 CG ASP A 38 10.307 2.881 0.703 1.00 0.00 C ATOM 569 OD1 ASP A 38 11.221 3.258 -0.060 1.00 0.00 O ATOM 570 OD2 ASP A 38 10.378 1.845 1.396 1.00 0.00 O ATOM 0 H ASP A 38 6.365 4.661 -0.355 1.00 0.00 H new ATOM 0 HA ASP A 38 8.760 3.396 -1.310 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.326 4.773 0.892 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.499 3.453 1.695 1.00 0.00 H new ATOM 575 N VAL A 39 7.840 1.144 -0.370 1.00 0.00 N ATOM 576 CA VAL A 39 7.098 -0.102 -0.217 1.00 0.00 C ATOM 577 C VAL A 39 7.683 -0.956 0.902 1.00 0.00 C ATOM 578 O VAL A 39 8.901 -1.071 1.036 1.00 0.00 O ATOM 579 CB VAL A 39 7.096 -0.918 -1.523 1.00 0.00 C ATOM 580 CG1 VAL A 39 6.742 -2.371 -1.245 1.00 0.00 C ATOM 581 CG2 VAL A 39 6.131 -0.310 -2.530 1.00 0.00 C ATOM 0 H VAL A 39 8.830 1.022 -0.581 1.00 0.00 H new ATOM 0 HA VAL A 39 6.073 0.169 0.035 1.00 0.00 H new ATOM 0 HB VAL A 39 8.098 -0.888 -1.950 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.746 -2.932 -2.180 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.475 -2.800 -0.562 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.751 -2.424 -0.794 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.143 -0.899 -3.447 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.124 -0.307 -2.113 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.434 0.713 -2.753 1.00 0.00 H new ATOM 591 N ILE A 40 6.806 -1.553 1.703 1.00 0.00 N ATOM 592 CA ILE A 40 7.236 -2.398 2.810 1.00 0.00 C ATOM 593 C ILE A 40 6.883 -3.860 2.555 1.00 0.00 C ATOM 594 O ILE A 40 5.865 -4.165 1.934 1.00 0.00 O ATOM 595 CB ILE A 40 6.599 -1.952 4.139 1.00 0.00 C ATOM 596 CG1 ILE A 40 6.887 -0.472 4.396 1.00 0.00 C ATOM 597 CG2 ILE A 40 7.116 -2.806 5.287 1.00 0.00 C ATOM 598 CD1 ILE A 40 5.873 0.459 3.768 1.00 0.00 C ATOM 0 H ILE A 40 5.794 -1.467 1.606 1.00 0.00 H new ATOM 0 HA ILE A 40 8.319 -2.296 2.883 1.00 0.00 H new ATOM 0 HB ILE A 40 5.519 -2.086 4.071 1.00 0.00 H new ATOM 0 HG12 ILE A 40 6.912 -0.297 5.471 1.00 0.00 H new ATOM 0 HG13 ILE A 40 7.878 -0.231 4.010 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.657 -2.479 6.220 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.864 -3.851 5.105 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.199 -2.701 5.360 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.140 1.492 3.991 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.864 0.312 2.688 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.883 0.245 4.172 1.00 0.00 H new ATOM 806 N PHE A 54 1.926 -10.569 -0.440 1.00 0.00 N ATOM 807 CA PHE A 54 1.372 -9.226 -0.316 1.00 0.00 C ATOM 808 C PHE A 54 2.477 -8.204 -0.060 1.00 0.00 C ATOM 809 O PHE A 54 3.622 -8.566 0.207 1.00 0.00 O ATOM 810 CB PHE A 54 0.345 -9.177 0.817 1.00 0.00 C ATOM 811 CG PHE A 54 0.178 -7.810 1.417 1.00 0.00 C ATOM 812 CD1 PHE A 54 1.084 -7.333 2.351 1.00 0.00 C ATOM 813 CD2 PHE A 54 -0.884 -7.001 1.046 1.00 0.00 C ATOM 814 CE1 PHE A 54 0.933 -6.076 2.904 1.00 0.00 C ATOM 815 CE2 PHE A 54 -1.040 -5.742 1.596 1.00 0.00 C ATOM 816 CZ PHE A 54 -0.130 -5.279 2.526 1.00 0.00 C ATOM 0 HA PHE A 54 0.879 -8.975 -1.255 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -0.618 -9.519 0.438 1.00 0.00 H new ATOM 0 HB3 PHE A 54 0.646 -9.874 1.599 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.918 -7.951 2.650 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.598 -7.358 0.319 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.646 -5.717 3.632 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.872 -5.121 1.299 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.249 -4.296 2.957 1.00 0.00 H new ATOM 826 N ALA A 55 2.123 -6.926 -0.145 1.00 0.00 N ATOM 827 CA ALA A 55 3.083 -5.851 0.078 1.00 0.00 C ATOM 828 C ALA A 55 2.379 -4.565 0.495 1.00 0.00 C ATOM 829 O ALA A 55 1.177 -4.404 0.278 1.00 0.00 O ATOM 830 CB ALA A 55 3.915 -5.618 -1.175 1.00 0.00 C ATOM 0 H ALA A 55 1.179 -6.609 -0.367 1.00 0.00 H new ATOM 0 HA ALA A 55 3.746 -6.151 0.890 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.627 -4.813 -0.994 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.455 -6.530 -1.428 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.259 -5.344 -2.001 1.00 0.00 H new ATOM 836 N PHE A 56 3.134 -3.650 1.095 1.00 0.00 N ATOM 837 CA PHE A 56 2.582 -2.378 1.544 1.00 0.00 C ATOM 838 C PHE A 56 3.205 -1.214 0.779 1.00 0.00 C ATOM 839 O PHE A 56 4.403 -1.213 0.495 1.00 0.00 O ATOM 840 CB PHE A 56 2.814 -2.198 3.046 1.00 0.00 C ATOM 841 CG PHE A 56 1.677 -2.695 3.892 1.00 0.00 C ATOM 842 CD1 PHE A 56 0.409 -2.153 3.759 1.00 0.00 C ATOM 843 CD2 PHE A 56 1.876 -3.703 4.821 1.00 0.00 C ATOM 844 CE1 PHE A 56 -0.640 -2.608 4.535 1.00 0.00 C ATOM 845 CE2 PHE A 56 0.831 -4.162 5.600 1.00 0.00 C ATOM 846 CZ PHE A 56 -0.428 -3.613 5.458 1.00 0.00 C ATOM 0 H PHE A 56 4.130 -3.766 1.281 1.00 0.00 H new ATOM 0 HA PHE A 56 1.510 -2.387 1.348 1.00 0.00 H new ATOM 0 HB2 PHE A 56 3.725 -2.724 3.330 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.978 -1.141 3.256 1.00 0.00 H new ATOM 0 HD1 PHE A 56 0.238 -1.365 3.040 1.00 0.00 H new ATOM 0 HD2 PHE A 56 2.859 -4.135 4.938 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.624 -2.178 4.420 1.00 0.00 H new ATOM 0 HE2 PHE A 56 0.999 -4.950 6.320 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.245 -3.969 6.068 1.00 0.00 H new ATOM 856 N VAL A 57 2.382 -0.224 0.447 1.00 0.00 N ATOM 857 CA VAL A 57 2.851 0.947 -0.285 1.00 0.00 C ATOM 858 C VAL A 57 2.524 2.232 0.466 1.00 0.00 C ATOM 859 O VAL A 57 1.361 2.620 0.574 1.00 0.00 O ATOM 860 CB VAL A 57 2.230 1.015 -1.693 1.00 0.00 C ATOM 861 CG1 VAL A 57 3.061 1.909 -2.601 1.00 0.00 C ATOM 862 CG2 VAL A 57 2.095 -0.381 -2.283 1.00 0.00 C ATOM 0 H VAL A 57 1.388 -0.210 0.673 1.00 0.00 H new ATOM 0 HA VAL A 57 3.933 0.850 -0.378 1.00 0.00 H new ATOM 0 HB VAL A 57 1.233 1.448 -1.611 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.607 1.945 -3.591 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.101 2.915 -2.184 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.072 1.509 -2.680 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.655 -0.315 -3.278 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.080 -0.844 -2.352 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.454 -0.986 -1.642 1.00 0.00 H new ATOM 872 N GLU A 58 3.557 2.889 0.983 1.00 0.00 N ATOM 873 CA GLU A 58 3.378 4.132 1.724 1.00 0.00 C ATOM 874 C GLU A 58 3.416 5.335 0.787 1.00 0.00 C ATOM 875 O GLU A 58 4.443 5.627 0.173 1.00 0.00 O ATOM 876 CB GLU A 58 4.461 4.273 2.796 1.00 0.00 C ATOM 877 CG GLU A 58 4.062 5.176 3.950 1.00 0.00 C ATOM 878 CD GLU A 58 5.255 5.830 4.620 1.00 0.00 C ATOM 879 OE1 GLU A 58 5.788 6.809 4.057 1.00 0.00 O ATOM 880 OE2 GLU A 58 5.656 5.363 5.706 1.00 0.00 O ATOM 0 H GLU A 58 4.526 2.582 0.903 1.00 0.00 H new ATOM 0 HA GLU A 58 2.401 4.100 2.206 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.704 3.285 3.187 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.367 4.666 2.335 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.387 5.949 3.584 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.510 4.594 4.688 1.00 0.00 H new ATOM 887 N TYR A 59 2.288 6.030 0.681 1.00 0.00 N ATOM 888 CA TYR A 59 2.190 7.200 -0.184 1.00 0.00 C ATOM 889 C TYR A 59 2.443 8.482 0.604 1.00 0.00 C ATOM 890 O TYR A 59 2.040 8.602 1.760 1.00 0.00 O ATOM 891 CB TYR A 59 0.812 7.258 -0.844 1.00 0.00 C ATOM 892 CG TYR A 59 0.571 6.147 -1.842 1.00 0.00 C ATOM 893 CD1 TYR A 59 0.272 4.858 -1.419 1.00 0.00 C ATOM 894 CD2 TYR A 59 0.643 6.388 -3.209 1.00 0.00 C ATOM 895 CE1 TYR A 59 0.053 3.841 -2.327 1.00 0.00 C ATOM 896 CE2 TYR A 59 0.423 5.377 -4.125 1.00 0.00 C ATOM 897 CZ TYR A 59 0.130 4.105 -3.679 1.00 0.00 C ATOM 898 OH TYR A 59 -0.090 3.095 -4.587 1.00 0.00 O ATOM 0 H TYR A 59 1.430 5.803 1.183 1.00 0.00 H new ATOM 0 HA TYR A 59 2.953 7.113 -0.958 1.00 0.00 H new ATOM 0 HB2 TYR A 59 0.046 7.212 -0.070 1.00 0.00 H new ATOM 0 HB3 TYR A 59 0.700 8.218 -1.348 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.210 4.648 -0.362 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.875 7.382 -3.561 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.177 2.844 -1.981 1.00 0.00 H new ATOM 0 HE2 TYR A 59 0.480 5.582 -5.184 1.00 0.00 H new ATOM 0 HH TYR A 59 0.407 3.282 -5.411 1.00 0.00 H new ATOM 908 N GLU A 60 3.113 9.437 -0.033 1.00 0.00 N ATOM 909 CA GLU A 60 3.420 10.711 0.607 1.00 0.00 C ATOM 910 C GLU A 60 2.141 11.440 1.010 1.00 0.00 C ATOM 911 O GLU A 60 2.000 11.883 2.150 1.00 0.00 O ATOM 912 CB GLU A 60 4.248 11.592 -0.331 1.00 0.00 C ATOM 913 CG GLU A 60 3.583 11.845 -1.673 1.00 0.00 C ATOM 914 CD GLU A 60 4.466 12.632 -2.622 1.00 0.00 C ATOM 915 OE1 GLU A 60 5.075 13.628 -2.177 1.00 0.00 O ATOM 916 OE2 GLU A 60 4.548 12.254 -3.809 1.00 0.00 O ATOM 0 H GLU A 60 3.453 9.353 -0.991 1.00 0.00 H new ATOM 0 HA GLU A 60 4.000 10.506 1.507 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.439 12.548 0.156 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.216 11.120 -0.498 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.323 10.891 -2.131 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.651 12.387 -1.516 1.00 0.00 H new ATOM 923 N SER A 61 1.213 11.560 0.066 1.00 0.00 N ATOM 924 CA SER A 61 -0.052 12.238 0.321 1.00 0.00 C ATOM 925 C SER A 61 -1.169 11.230 0.573 1.00 0.00 C ATOM 926 O SER A 61 -1.394 10.322 -0.228 1.00 0.00 O ATOM 927 CB SER A 61 -0.420 13.138 -0.861 1.00 0.00 C ATOM 928 OG SER A 61 -1.717 13.686 -0.701 1.00 0.00 O ATOM 0 H SER A 61 1.314 11.197 -0.882 1.00 0.00 H new ATOM 0 HA SER A 61 0.068 12.852 1.214 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.310 13.943 -0.950 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.376 12.564 -1.787 1.00 0.00 H new ATOM 0 HG SER A 61 -1.927 14.258 -1.468 1.00 0.00 H new ATOM 934 N HIS A 62 -1.865 11.395 1.693 1.00 0.00 N ATOM 935 CA HIS A 62 -2.959 10.500 2.053 1.00 0.00 C ATOM 936 C HIS A 62 -3.909 10.302 0.875 1.00 0.00 C ATOM 937 O HIS A 62 -4.555 9.262 0.754 1.00 0.00 O ATOM 938 CB HIS A 62 -3.725 11.053 3.254 1.00 0.00 C ATOM 939 CG HIS A 62 -5.149 10.594 3.320 1.00 0.00 C ATOM 940 ND1 HIS A 62 -5.516 9.341 3.762 1.00 0.00 N ATOM 941 CD2 HIS A 62 -6.300 11.229 2.997 1.00 0.00 C ATOM 942 CE1 HIS A 62 -6.831 9.224 3.707 1.00 0.00 C ATOM 943 NE2 HIS A 62 -7.331 10.357 3.246 1.00 0.00 N ATOM 0 H HIS A 62 -1.691 12.140 2.367 1.00 0.00 H new ATOM 0 HA HIS A 62 -2.532 9.533 2.319 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -3.213 10.755 4.169 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -3.704 12.142 3.217 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -6.391 12.235 2.614 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -7.400 8.351 3.991 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -8.321 10.552 3.099 1.00 0.00 H new ATOM 951 N ARG A 63 -3.989 11.309 0.011 1.00 0.00 N ATOM 952 CA ARG A 63 -4.861 11.247 -1.156 1.00 0.00 C ATOM 953 C ARG A 63 -4.279 10.322 -2.221 1.00 0.00 C ATOM 954 O ARG A 63 -4.956 9.416 -2.707 1.00 0.00 O ATOM 955 CB ARG A 63 -5.070 12.646 -1.738 1.00 0.00 C ATOM 956 CG ARG A 63 -5.912 12.659 -3.004 1.00 0.00 C ATOM 957 CD ARG A 63 -5.061 12.421 -4.241 1.00 0.00 C ATOM 958 NE ARG A 63 -4.684 13.671 -4.896 1.00 0.00 N ATOM 959 CZ ARG A 63 -3.656 13.784 -5.729 1.00 0.00 C ATOM 960 NH1 ARG A 63 -2.905 12.727 -6.007 1.00 0.00 N ATOM 961 NH2 ARG A 63 -3.376 14.956 -6.285 1.00 0.00 N ATOM 0 H ARG A 63 -3.461 12.177 0.097 1.00 0.00 H new ATOM 0 HA ARG A 63 -5.824 10.846 -0.838 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.548 13.275 -0.987 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -4.098 13.090 -1.954 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.682 11.891 -2.938 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -6.424 13.617 -3.092 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -4.161 11.873 -3.962 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -5.611 11.795 -4.944 1.00 0.00 H new ATOM 0 HE ARG A 63 -5.241 14.503 -4.703 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.116 11.825 -5.581 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.116 12.816 -6.647 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -3.951 15.771 -6.073 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -2.586 15.041 -6.925 1.00 0.00 H new ATOM 975 N ALA A 64 -3.021 10.558 -2.579 1.00 0.00 N ATOM 976 CA ALA A 64 -2.349 9.745 -3.585 1.00 0.00 C ATOM 977 C ALA A 64 -2.623 8.261 -3.366 1.00 0.00 C ATOM 978 O ALA A 64 -2.520 7.458 -4.292 1.00 0.00 O ATOM 979 CB ALA A 64 -0.851 10.015 -3.566 1.00 0.00 C ATOM 0 H ALA A 64 -2.447 11.305 -2.188 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.746 10.020 -4.562 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.361 9.401 -4.322 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.668 11.068 -3.779 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.449 9.769 -2.583 1.00 0.00 H new ATOM 985 N ALA A 65 -2.973 7.905 -2.134 1.00 0.00 N ATOM 986 CA ALA A 65 -3.263 6.517 -1.795 1.00 0.00 C ATOM 987 C ALA A 65 -4.744 6.204 -1.984 1.00 0.00 C ATOM 988 O ALA A 65 -5.103 5.152 -2.512 1.00 0.00 O ATOM 989 CB ALA A 65 -2.839 6.224 -0.363 1.00 0.00 C ATOM 0 H ALA A 65 -3.062 8.558 -1.355 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.694 5.877 -2.469 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.061 5.184 -0.123 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.768 6.400 -0.257 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.383 6.878 0.319 1.00 0.00 H new ATOM 995 N ALA A 66 -5.599 7.124 -1.549 1.00 0.00 N ATOM 996 CA ALA A 66 -7.040 6.946 -1.672 1.00 0.00 C ATOM 997 C ALA A 66 -7.454 6.816 -3.134 1.00 0.00 C ATOM 998 O ALA A 66 -8.288 5.980 -3.480 1.00 0.00 O ATOM 999 CB ALA A 66 -7.773 8.107 -1.016 1.00 0.00 C ATOM 0 H ALA A 66 -5.318 8.000 -1.108 1.00 0.00 H new ATOM 0 HA ALA A 66 -7.312 6.023 -1.160 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -8.849 7.961 -1.115 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.509 8.153 0.041 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.487 9.039 -1.503 1.00 0.00 H new ATOM 1005 N MET A 67 -6.866 7.648 -3.987 1.00 0.00 N ATOM 1006 CA MET A 67 -7.175 7.624 -5.413 1.00 0.00 C ATOM 1007 C MET A 67 -6.403 6.513 -6.117 1.00 0.00 C ATOM 1008 O MET A 67 -6.829 6.012 -7.157 1.00 0.00 O ATOM 1009 CB MET A 67 -6.844 8.975 -6.050 1.00 0.00 C ATOM 1010 CG MET A 67 -5.397 9.399 -5.860 1.00 0.00 C ATOM 1011 SD MET A 67 -4.854 10.592 -7.098 1.00 0.00 S ATOM 1012 CE MET A 67 -3.307 9.855 -7.622 1.00 0.00 C ATOM 0 H MET A 67 -6.174 8.347 -3.717 1.00 0.00 H new ATOM 0 HA MET A 67 -8.241 7.429 -5.526 1.00 0.00 H new ATOM 0 HB2 MET A 67 -7.063 8.928 -7.117 1.00 0.00 H new ATOM 0 HB3 MET A 67 -7.496 9.738 -5.624 1.00 0.00 H new ATOM 0 HG2 MET A 67 -5.277 9.832 -4.867 1.00 0.00 H new ATOM 0 HG3 MET A 67 -4.756 8.519 -5.904 1.00 0.00 H new ATOM 0 HE1 MET A 67 -2.645 10.632 -8.003 1.00 0.00 H new ATOM 0 HE2 MET A 67 -2.834 9.359 -6.774 1.00 0.00 H new ATOM 0 HE3 MET A 67 -3.500 9.125 -8.408 1.00 0.00 H new ATOM 1022 N ALA A 68 -5.265 6.134 -5.544 1.00 0.00 N ATOM 1023 CA ALA A 68 -4.435 5.081 -6.117 1.00 0.00 C ATOM 1024 C ALA A 68 -5.139 3.730 -6.050 1.00 0.00 C ATOM 1025 O ALA A 68 -4.919 2.863 -6.897 1.00 0.00 O ATOM 1026 CB ALA A 68 -3.095 5.017 -5.400 1.00 0.00 C ATOM 0 H ALA A 68 -4.897 6.540 -4.684 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.262 5.319 -7.167 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.485 4.227 -5.838 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.580 5.972 -5.505 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.258 4.806 -4.343 1.00 0.00 H new ATOM 1032 N ARG A 69 -5.984 3.557 -5.039 1.00 0.00 N ATOM 1033 CA ARG A 69 -6.718 2.310 -4.862 1.00 0.00 C ATOM 1034 C ARG A 69 -7.897 2.231 -5.826 1.00 0.00 C ATOM 1035 O ARG A 69 -8.145 1.191 -6.437 1.00 0.00 O ATOM 1036 CB ARG A 69 -7.214 2.187 -3.420 1.00 0.00 C ATOM 1037 CG ARG A 69 -7.859 3.456 -2.887 1.00 0.00 C ATOM 1038 CD ARG A 69 -8.520 3.221 -1.538 1.00 0.00 C ATOM 1039 NE ARG A 69 -7.538 3.049 -0.470 1.00 0.00 N ATOM 1040 CZ ARG A 69 -6.996 1.878 -0.153 1.00 0.00 C ATOM 1041 NH1 ARG A 69 -7.338 0.783 -0.818 1.00 0.00 N ATOM 1042 NH2 ARG A 69 -6.109 1.802 0.831 1.00 0.00 N ATOM 0 H ARG A 69 -6.177 4.265 -4.330 1.00 0.00 H new ATOM 0 HA ARG A 69 -6.040 1.484 -5.078 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -7.934 1.371 -3.361 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.375 1.919 -2.778 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -7.104 4.237 -2.792 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -8.602 3.815 -3.600 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -9.170 4.064 -1.301 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -9.154 2.336 -1.594 1.00 0.00 H new ATOM 0 HE ARG A 69 -7.253 3.872 0.061 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -8.019 0.838 -1.575 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -6.920 -0.114 -0.572 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -5.843 2.643 1.344 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -5.693 0.903 1.074 1.00 0.00 H new ATOM 1056 N ARG A 70 -8.623 3.337 -5.957 1.00 0.00 N ATOM 1057 CA ARG A 70 -9.777 3.393 -6.845 1.00 0.00 C ATOM 1058 C ARG A 70 -9.388 3.002 -8.268 1.00 0.00 C ATOM 1059 O ARG A 70 -10.249 2.743 -9.110 1.00 0.00 O ATOM 1060 CB ARG A 70 -10.385 4.797 -6.839 1.00 0.00 C ATOM 1061 CG ARG A 70 -11.505 4.980 -7.850 1.00 0.00 C ATOM 1062 CD ARG A 70 -12.428 6.124 -7.458 1.00 0.00 C ATOM 1063 NE ARG A 70 -13.585 6.222 -8.344 1.00 0.00 N ATOM 1064 CZ ARG A 70 -14.731 6.794 -7.995 1.00 0.00 C ATOM 1065 NH1 ARG A 70 -14.873 7.317 -6.785 1.00 0.00 N ATOM 1066 NH2 ARG A 70 -15.739 6.845 -8.857 1.00 0.00 N ATOM 0 H ARG A 70 -8.432 4.206 -5.459 1.00 0.00 H new ATOM 0 HA ARG A 70 -10.518 2.682 -6.481 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -10.768 5.014 -5.842 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -9.600 5.525 -7.044 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -11.080 5.175 -8.834 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -12.080 4.057 -7.928 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -12.768 5.980 -6.432 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -11.873 7.062 -7.481 1.00 0.00 H new ATOM 0 HE ARG A 70 -13.508 5.829 -9.282 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -14.101 7.280 -6.120 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -15.755 7.756 -6.519 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -15.634 6.444 -9.789 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -16.619 7.285 -8.587 1.00 0.00 H new ATOM 1080 N LYS A 71 -8.086 2.960 -8.529 1.00 0.00 N ATOM 1081 CA LYS A 71 -7.582 2.600 -9.849 1.00 0.00 C ATOM 1082 C LYS A 71 -7.322 1.100 -9.941 1.00 0.00 C ATOM 1083 O LYS A 71 -7.469 0.498 -11.006 1.00 0.00 O ATOM 1084 CB LYS A 71 -6.295 3.370 -10.153 1.00 0.00 C ATOM 1085 CG LYS A 71 -5.791 3.176 -11.573 1.00 0.00 C ATOM 1086 CD LYS A 71 -4.522 3.972 -11.828 1.00 0.00 C ATOM 1087 CE LYS A 71 -3.769 3.447 -13.041 1.00 0.00 C ATOM 1088 NZ LYS A 71 -2.719 4.399 -13.497 1.00 0.00 N ATOM 0 H LYS A 71 -7.360 3.171 -7.844 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.341 2.866 -10.585 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.467 4.432 -9.980 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.519 3.055 -9.455 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -5.600 2.118 -11.751 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.562 3.483 -12.279 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.774 5.021 -11.981 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.878 3.924 -10.950 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.309 2.489 -12.797 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.472 3.265 -13.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -2.369 4.108 -14.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -3.122 5.356 -13.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -1.931 4.399 -12.818 1.00 0.00 H new ATOM 1102 N LEU A 72 -6.938 0.500 -8.820 1.00 0.00 N ATOM 1103 CA LEU A 72 -6.660 -0.931 -8.774 1.00 0.00 C ATOM 1104 C LEU A 72 -7.726 -1.667 -7.969 1.00 0.00 C ATOM 1105 O LEU A 72 -7.625 -2.873 -7.744 1.00 0.00 O ATOM 1106 CB LEU A 72 -5.279 -1.183 -8.164 1.00 0.00 C ATOM 1107 CG LEU A 72 -4.232 -0.094 -8.401 1.00 0.00 C ATOM 1108 CD1 LEU A 72 -3.210 -0.084 -7.275 1.00 0.00 C ATOM 1109 CD2 LEU A 72 -3.547 -0.296 -9.745 1.00 0.00 C ATOM 0 H LEU A 72 -6.812 0.983 -7.930 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.674 -1.312 -9.795 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.398 -1.317 -7.089 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -4.894 -2.122 -8.562 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.736 0.872 -8.415 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.472 0.697 -7.460 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.714 0.110 -6.328 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.710 -1.051 -7.229 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.805 0.488 -9.897 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.055 -1.269 -9.760 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.289 -0.252 -10.542 1.00 0.00 H new ATOM 1121 N MET A 73 -8.748 -0.934 -7.540 1.00 0.00 N ATOM 1122 CA MET A 73 -9.835 -1.518 -6.763 1.00 0.00 C ATOM 1123 C MET A 73 -10.628 -2.515 -7.603 1.00 0.00 C ATOM 1124 O MET A 73 -10.847 -3.660 -7.208 1.00 0.00 O ATOM 1125 CB MET A 73 -10.763 -0.421 -6.240 1.00 0.00 C ATOM 1126 CG MET A 73 -11.310 -0.701 -4.849 1.00 0.00 C ATOM 1127 SD MET A 73 -12.091 0.745 -4.107 1.00 0.00 S ATOM 1128 CE MET A 73 -10.785 1.315 -3.021 1.00 0.00 C ATOM 0 H MET A 73 -8.846 0.066 -7.717 1.00 0.00 H new ATOM 0 HA MET A 73 -9.400 -2.049 -5.916 1.00 0.00 H new ATOM 0 HB2 MET A 73 -10.222 0.525 -6.225 1.00 0.00 H new ATOM 0 HB3 MET A 73 -11.596 -0.301 -6.932 1.00 0.00 H new ATOM 0 HG2 MET A 73 -12.035 -1.513 -4.904 1.00 0.00 H new ATOM 0 HG3 MET A 73 -10.499 -1.042 -4.205 1.00 0.00 H new ATOM 0 HE1 MET A 73 -11.212 1.614 -2.064 1.00 0.00 H new ATOM 0 HE2 MET A 73 -10.067 0.511 -2.863 1.00 0.00 H new ATOM 0 HE3 MET A 73 -10.281 2.168 -3.475 1.00 0.00 H new ATOM 1138 N PRO A 74 -11.071 -2.071 -8.788 1.00 0.00 N ATOM 1139 CA PRO A 74 -11.847 -2.908 -9.708 1.00 0.00 C ATOM 1140 C PRO A 74 -11.008 -4.020 -10.327 1.00 0.00 C ATOM 1141 O PRO A 74 -11.494 -4.792 -11.153 1.00 0.00 O ATOM 1142 CB PRO A 74 -12.306 -1.922 -10.785 1.00 0.00 C ATOM 1143 CG PRO A 74 -11.293 -0.830 -10.755 1.00 0.00 C ATOM 1144 CD PRO A 74 -10.848 -0.717 -9.323 1.00 0.00 C ATOM 0 HA PRO A 74 -12.666 -3.418 -9.201 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -12.347 -2.397 -11.765 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.305 -1.541 -10.573 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -10.451 -1.060 -11.408 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -11.721 0.109 -11.106 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -9.801 -0.424 -9.250 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -11.427 0.030 -8.780 1.00 0.00 H new ATOM 1152 N GLY A 75 -9.743 -4.097 -9.923 1.00 0.00 N ATOM 1153 CA GLY A 75 -8.857 -5.119 -10.449 1.00 0.00 C ATOM 1154 C GLY A 75 -8.606 -4.959 -11.935 1.00 0.00 C ATOM 1155 O GLY A 75 -8.457 -5.946 -12.656 1.00 0.00 O ATOM 0 H GLY A 75 -9.316 -3.470 -9.241 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.907 -5.081 -9.917 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.289 -6.102 -10.260 1.00 0.00 H new ATOM 1159 N ARG A 76 -8.559 -3.713 -12.395 1.00 0.00 N ATOM 1160 CA ARG A 76 -8.327 -3.428 -13.806 1.00 0.00 C ATOM 1161 C ARG A 76 -6.863 -3.654 -14.173 1.00 0.00 C ATOM 1162 O ARG A 76 -6.551 -4.079 -15.285 1.00 0.00 O ATOM 1163 CB ARG A 76 -8.730 -1.988 -14.131 1.00 0.00 C ATOM 1164 CG ARG A 76 -10.216 -1.817 -14.400 1.00 0.00 C ATOM 1165 CD ARG A 76 -10.545 -2.038 -15.868 1.00 0.00 C ATOM 1166 NE ARG A 76 -10.825 -3.440 -16.162 1.00 0.00 N ATOM 1167 CZ ARG A 76 -11.364 -3.859 -17.301 1.00 0.00 C ATOM 1168 NH1 ARG A 76 -11.678 -2.988 -18.250 1.00 0.00 N ATOM 1169 NH2 ARG A 76 -11.588 -5.153 -17.494 1.00 0.00 N ATOM 0 H ARG A 76 -8.678 -2.885 -11.811 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.940 -4.111 -14.394 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -8.443 -1.343 -13.300 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -8.170 -1.651 -15.004 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -10.781 -2.521 -13.789 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -10.528 -0.816 -14.103 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -11.408 -1.431 -16.141 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -9.710 -1.699 -16.481 1.00 0.00 H new ATOM 0 HE ARG A 76 -10.594 -4.136 -15.453 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -11.506 -1.993 -18.106 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -12.092 -3.313 -19.124 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -11.346 -5.826 -16.767 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -12.002 -5.474 -18.369 1.00 0.00 H new ATOM 1183 N ILE A 77 -5.972 -3.365 -13.231 1.00 0.00 N ATOM 1184 CA ILE A 77 -4.542 -3.537 -13.455 1.00 0.00 C ATOM 1185 C ILE A 77 -3.986 -4.677 -12.608 1.00 0.00 C ATOM 1186 O ILE A 77 -4.417 -4.888 -11.475 1.00 0.00 O ATOM 1187 CB ILE A 77 -3.763 -2.247 -13.136 1.00 0.00 C ATOM 1188 CG1 ILE A 77 -4.193 -1.119 -14.076 1.00 0.00 C ATOM 1189 CG2 ILE A 77 -2.265 -2.492 -13.244 1.00 0.00 C ATOM 1190 CD1 ILE A 77 -5.354 -0.305 -13.550 1.00 0.00 C ATOM 0 H ILE A 77 -6.215 -3.011 -12.306 1.00 0.00 H new ATOM 0 HA ILE A 77 -4.414 -3.777 -14.511 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.990 -1.948 -12.113 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.344 -0.457 -14.249 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.466 -1.545 -15.041 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.728 -1.571 -13.016 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.971 -3.268 -12.537 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.021 -2.813 -14.257 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -5.605 0.476 -14.267 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -6.217 -0.954 -13.404 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -5.078 0.151 -12.599 1.00 0.00 H new ATOM 1202 N GLN A 78 -3.024 -5.406 -13.165 1.00 0.00 N ATOM 1203 CA GLN A 78 -2.408 -6.524 -12.460 1.00 0.00 C ATOM 1204 C GLN A 78 -0.900 -6.328 -12.343 1.00 0.00 C ATOM 1205 O GLN A 78 -0.334 -5.412 -12.941 1.00 0.00 O ATOM 1206 CB GLN A 78 -2.710 -7.838 -13.182 1.00 0.00 C ATOM 1207 CG GLN A 78 -4.178 -8.016 -13.534 1.00 0.00 C ATOM 1208 CD GLN A 78 -5.103 -7.585 -12.413 1.00 0.00 C ATOM 1209 OE1 GLN A 78 -4.729 -7.610 -11.240 1.00 0.00 O ATOM 1210 NE2 GLN A 78 -6.318 -7.186 -12.768 1.00 0.00 N ATOM 0 H GLN A 78 -2.655 -5.243 -14.102 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.830 -6.565 -11.456 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -2.118 -7.885 -14.096 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -2.392 -8.670 -12.553 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -4.406 -7.438 -14.430 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.366 -9.063 -13.773 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -6.586 -7.181 -13.752 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -6.984 -6.884 -12.057 1.00 0.00 H new ATOM 1219 N LEU A 79 -0.255 -7.194 -11.569 1.00 0.00 N ATOM 1220 CA LEU A 79 1.189 -7.117 -11.373 1.00 0.00 C ATOM 1221 C LEU A 79 1.868 -8.409 -11.815 1.00 0.00 C ATOM 1222 O LEU A 79 1.668 -9.464 -11.213 1.00 0.00 O ATOM 1223 CB LEU A 79 1.509 -6.836 -9.904 1.00 0.00 C ATOM 1224 CG LEU A 79 1.115 -5.453 -9.384 1.00 0.00 C ATOM 1225 CD1 LEU A 79 1.392 -5.344 -7.893 1.00 0.00 C ATOM 1226 CD2 LEU A 79 1.857 -4.365 -10.146 1.00 0.00 C ATOM 0 H LEU A 79 -0.709 -7.957 -11.067 1.00 0.00 H new ATOM 0 HA LEU A 79 1.571 -6.300 -11.985 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.009 -7.588 -9.294 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.581 -6.966 -9.755 1.00 0.00 H new ATOM 0 HG LEU A 79 0.046 -5.317 -9.545 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.105 -4.353 -7.541 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.815 -6.099 -7.360 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.455 -5.501 -7.708 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.564 -3.388 -9.762 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.931 -4.498 -10.017 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.608 -4.428 -11.205 1.00 0.00 H new ATOM 1238 N TRP A 80 2.673 -8.318 -12.867 1.00 0.00 N ATOM 1239 CA TRP A 80 3.384 -9.480 -13.389 1.00 0.00 C ATOM 1240 C TRP A 80 2.406 -10.553 -13.855 1.00 0.00 C ATOM 1241 O TRP A 80 2.695 -11.746 -13.776 1.00 0.00 O ATOM 1242 CB TRP A 80 4.318 -10.052 -12.322 1.00 0.00 C ATOM 1243 CG TRP A 80 5.200 -9.019 -11.687 1.00 0.00 C ATOM 1244 CD1 TRP A 80 6.297 -8.426 -12.243 1.00 0.00 C ATOM 1245 CD2 TRP A 80 5.059 -8.460 -10.377 1.00 0.00 C ATOM 1246 NE1 TRP A 80 6.847 -7.531 -11.357 1.00 0.00 N ATOM 1247 CE2 TRP A 80 6.105 -7.533 -10.205 1.00 0.00 C ATOM 1248 CE3 TRP A 80 4.150 -8.651 -9.333 1.00 0.00 C ATOM 1249 CZ2 TRP A 80 6.266 -6.802 -9.031 1.00 0.00 C ATOM 1250 CZ3 TRP A 80 4.311 -7.924 -8.169 1.00 0.00 C ATOM 1251 CH2 TRP A 80 5.362 -7.009 -8.025 1.00 0.00 C ATOM 0 H TRP A 80 2.850 -7.452 -13.376 1.00 0.00 H new ATOM 0 HA TRP A 80 3.976 -9.159 -14.246 1.00 0.00 H new ATOM 0 HB2 TRP A 80 3.721 -10.535 -11.548 1.00 0.00 H new ATOM 0 HB3 TRP A 80 4.942 -10.825 -12.772 1.00 0.00 H new ATOM 0 HD1 TRP A 80 6.677 -8.630 -13.233 1.00 0.00 H new ATOM 0 HE1 TRP A 80 7.673 -6.958 -11.529 1.00 0.00 H new ATOM 0 HE3 TRP A 80 3.336 -9.354 -9.434 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 7.076 -6.096 -8.918 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 3.614 -8.064 -7.356 1.00 0.00 H new ATOM 0 HH2 TRP A 80 5.461 -6.456 -7.102 1.00 0.00 H new ATOM 1262 N GLY A 81 1.246 -10.120 -14.340 1.00 0.00 N ATOM 1263 CA GLY A 81 0.243 -11.057 -14.812 1.00 0.00 C ATOM 1264 C GLY A 81 -0.550 -11.677 -13.678 1.00 0.00 C ATOM 1265 O GLY A 81 -1.438 -12.498 -13.909 1.00 0.00 O ATOM 0 H GLY A 81 0.983 -9.137 -14.414 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.439 -10.544 -15.490 1.00 0.00 H new ATOM 0 HA3 GLY A 81 0.729 -11.846 -15.386 1.00 0.00 H new ATOM 1269 N HIS A 82 -0.228 -11.284 -12.450 1.00 0.00 N ATOM 1270 CA HIS A 82 -0.917 -11.808 -11.275 1.00 0.00 C ATOM 1271 C HIS A 82 -1.969 -10.821 -10.777 1.00 0.00 C ATOM 1272 O HIS A 82 -1.702 -9.626 -10.652 1.00 0.00 O ATOM 1273 CB HIS A 82 0.086 -12.107 -10.161 1.00 0.00 C ATOM 1274 CG HIS A 82 1.051 -13.201 -10.501 1.00 0.00 C ATOM 1275 ND1 HIS A 82 1.483 -13.659 -11.700 1.00 0.00 N flip ATOM 1276 CD2 HIS A 82 1.689 -13.965 -9.548 1.00 0.00 C flip ATOM 1277 CE1 HIS A 82 2.367 -14.680 -11.451 1.00 0.00 C flip ATOM 1278 NE2 HIS A 82 2.474 -14.845 -10.144 1.00 0.00 N flip ATOM 0 H HIS A 82 0.505 -10.605 -12.242 1.00 0.00 H new ATOM 0 HA HIS A 82 -1.418 -12.733 -11.560 1.00 0.00 H new ATOM 0 HB2 HIS A 82 0.644 -11.199 -9.933 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -0.458 -12.382 -9.257 1.00 0.00 H new ATOM 0 HD2 HIS A 82 1.566 -13.861 -8.480 1.00 0.00 H new ATOM 0 HE1 HIS A 82 2.890 -15.255 -12.201 1.00 0.00 H new ATOM 0 HE2 HIS A 82 3.062 -15.534 -9.675 1.00 0.00 H new ATOM 1286 N GLN A 83 -3.164 -11.329 -10.496 1.00 0.00 N ATOM 1287 CA GLN A 83 -4.256 -10.492 -10.014 1.00 0.00 C ATOM 1288 C GLN A 83 -3.886 -9.822 -8.694 1.00 0.00 C ATOM 1289 O GLN A 83 -3.323 -10.457 -7.801 1.00 0.00 O ATOM 1290 CB GLN A 83 -5.527 -11.325 -9.838 1.00 0.00 C ATOM 1291 CG GLN A 83 -6.741 -10.504 -9.435 1.00 0.00 C ATOM 1292 CD GLN A 83 -8.047 -11.236 -9.678 1.00 0.00 C ATOM 1293 OE1 GLN A 83 -8.166 -12.020 -10.619 1.00 0.00 O ATOM 1294 NE2 GLN A 83 -9.034 -10.983 -8.827 1.00 0.00 N ATOM 0 H GLN A 83 -3.401 -12.316 -10.594 1.00 0.00 H new ATOM 0 HA GLN A 83 -4.440 -9.715 -10.756 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -5.743 -11.844 -10.772 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -5.349 -12.090 -9.082 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -6.665 -10.245 -8.379 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -6.744 -9.568 -9.994 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -8.891 -10.325 -8.061 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -9.936 -11.446 -8.939 1.00 0.00 H new ATOM 1303 N ILE A 84 -4.205 -8.537 -8.579 1.00 0.00 N ATOM 1304 CA ILE A 84 -3.906 -7.782 -7.368 1.00 0.00 C ATOM 1305 C ILE A 84 -5.127 -7.003 -6.891 1.00 0.00 C ATOM 1306 O ILE A 84 -5.998 -6.648 -7.684 1.00 0.00 O ATOM 1307 CB ILE A 84 -2.740 -6.802 -7.589 1.00 0.00 C ATOM 1308 CG1 ILE A 84 -2.964 -5.988 -8.866 1.00 0.00 C ATOM 1309 CG2 ILE A 84 -1.420 -7.555 -7.660 1.00 0.00 C ATOM 1310 CD1 ILE A 84 -3.759 -4.721 -8.642 1.00 0.00 C ATOM 0 H ILE A 84 -4.670 -7.997 -9.309 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.620 -8.507 -6.606 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.698 -6.114 -6.744 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.997 -5.729 -9.297 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.483 -6.609 -9.597 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.606 -6.848 -7.817 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.258 -8.094 -6.727 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.449 -8.264 -8.488 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.879 -4.195 -9.589 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.740 -4.973 -8.240 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -3.231 -4.080 -7.935 1.00 0.00 H new ATOM 1322 N ALA A 85 -5.182 -6.739 -5.590 1.00 0.00 N ATOM 1323 CA ALA A 85 -6.294 -5.999 -5.007 1.00 0.00 C ATOM 1324 C ALA A 85 -5.797 -4.956 -4.011 1.00 0.00 C ATOM 1325 O ALA A 85 -4.786 -5.157 -3.339 1.00 0.00 O ATOM 1326 CB ALA A 85 -7.268 -6.953 -4.332 1.00 0.00 C ATOM 0 H ALA A 85 -4.469 -7.027 -4.920 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.812 -5.478 -5.812 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -8.093 -6.386 -3.901 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.657 -7.657 -5.068 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.753 -7.501 -3.543 1.00 0.00 H new ATOM 1332 N VAL A 86 -6.515 -3.841 -3.922 1.00 0.00 N ATOM 1333 CA VAL A 86 -6.147 -2.766 -3.008 1.00 0.00 C ATOM 1334 C VAL A 86 -7.181 -2.611 -1.898 1.00 0.00 C ATOM 1335 O VAL A 86 -8.376 -2.485 -2.162 1.00 0.00 O ATOM 1336 CB VAL A 86 -6.001 -1.424 -3.750 1.00 0.00 C ATOM 1337 CG1 VAL A 86 -4.805 -1.459 -4.688 1.00 0.00 C ATOM 1338 CG2 VAL A 86 -7.277 -1.094 -4.511 1.00 0.00 C ATOM 0 H VAL A 86 -7.355 -3.658 -4.472 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.186 -3.037 -2.570 1.00 0.00 H new ATOM 0 HB VAL A 86 -5.831 -0.639 -3.013 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.718 -0.502 -5.203 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.898 -1.645 -4.114 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.940 -2.255 -5.421 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -7.156 -0.143 -5.029 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.481 -1.880 -5.238 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.110 -1.023 -3.811 1.00 0.00 H new ATOM 1348 N ASP A 87 -6.711 -2.620 -0.655 1.00 0.00 N ATOM 1349 CA ASP A 87 -7.594 -2.479 0.497 1.00 0.00 C ATOM 1350 C ASP A 87 -7.072 -1.412 1.454 1.00 0.00 C ATOM 1351 O ASP A 87 -5.887 -1.079 1.441 1.00 0.00 O ATOM 1352 CB ASP A 87 -7.731 -3.815 1.228 1.00 0.00 C ATOM 1353 CG ASP A 87 -8.857 -4.666 0.675 1.00 0.00 C ATOM 1354 OD1 ASP A 87 -8.763 -5.084 -0.497 1.00 0.00 O ATOM 1355 OD2 ASP A 87 -9.833 -4.912 1.415 1.00 0.00 O ATOM 0 H ASP A 87 -5.724 -2.723 -0.420 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.575 -2.169 0.136 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -6.793 -4.365 1.152 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -7.907 -3.629 2.288 1.00 0.00 H new ATOM 1360 N TRP A 88 -7.965 -0.879 2.280 1.00 0.00 N ATOM 1361 CA TRP A 88 -7.594 0.152 3.243 1.00 0.00 C ATOM 1362 C TRP A 88 -6.898 -0.459 4.454 1.00 0.00 C ATOM 1363 O TRP A 88 -7.548 -0.991 5.353 1.00 0.00 O ATOM 1364 CB TRP A 88 -8.833 0.930 3.691 1.00 0.00 C ATOM 1365 CG TRP A 88 -9.126 2.125 2.835 1.00 0.00 C ATOM 1366 CD1 TRP A 88 -10.259 2.355 2.109 1.00 0.00 C ATOM 1367 CD2 TRP A 88 -8.270 3.251 2.615 1.00 0.00 C ATOM 1368 NE1 TRP A 88 -10.160 3.557 1.451 1.00 0.00 N ATOM 1369 CE2 TRP A 88 -8.949 4.126 1.745 1.00 0.00 C ATOM 1370 CE3 TRP A 88 -6.997 3.606 3.069 1.00 0.00 C ATOM 1371 CZ2 TRP A 88 -8.396 5.332 1.321 1.00 0.00 C ATOM 1372 CZ3 TRP A 88 -6.449 4.803 2.647 1.00 0.00 C ATOM 1373 CH2 TRP A 88 -7.149 5.655 1.781 1.00 0.00 C ATOM 0 H TRP A 88 -8.950 -1.143 2.303 1.00 0.00 H new ATOM 0 HA TRP A 88 -6.900 0.836 2.755 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -9.695 0.264 3.679 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -8.696 1.256 4.722 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -11.108 1.690 2.059 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -10.872 3.960 0.842 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -6.451 2.957 3.738 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -8.933 5.989 0.653 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -5.465 5.087 2.990 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -6.695 6.584 1.471 1.00 0.00 H new ATOM 1384 N ALA A 89 -5.571 -0.380 4.471 1.00 0.00 N ATOM 1385 CA ALA A 89 -4.787 -0.924 5.573 1.00 0.00 C ATOM 1386 C ALA A 89 -5.400 -0.552 6.918 1.00 0.00 C ATOM 1387 O ALA A 89 -5.960 -1.402 7.611 1.00 0.00 O ATOM 1388 CB ALA A 89 -3.350 -0.431 5.492 1.00 0.00 C ATOM 0 H ALA A 89 -5.017 0.056 3.734 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.792 -2.011 5.488 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -2.776 -0.845 6.321 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -2.908 -0.752 4.549 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.335 0.657 5.548 1.00 0.00 H new