USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=10 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 -16:sc= -0.838 USER MOD Set 1.2: A 59 TYR OH : rot -150:sc= -0.106 USER MOD Set 2.1: A 9 CYS SG : rot 111:sc= -2.36 USER MOD Set 2.2: A 62 HIS : no HE2:sc= 0.565 K(o=-1.8,f=-5.5!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl 135:sc= -1.17 (180deg=-4.85!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 172:sc= 0.363 (180deg=0.332) USER MOD Single : A 61 SER OG : rot 180:sc= 0.0612 USER MOD Single : A 67 MET CE :methyl -172:sc= -1.45 (180deg=-1.61) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl -139:sc= -0.133 (180deg=-0.406) USER MOD Single : A 78 GLN : amide:sc= -0.395 X(o=-0.39,f=0) USER MOD Single : A 82 HIS :FLIP no HD1:sc= -0.495 F(o=-1.8,f=-0.5) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 80 N CYS A 9 0.066 6.984 5.392 1.00 0.00 N ATOM 81 CA CYS A 9 -0.836 6.473 4.366 1.00 0.00 C ATOM 82 C CYS A 9 -0.223 5.274 3.652 1.00 0.00 C ATOM 83 O CYS A 9 0.826 5.386 3.016 1.00 0.00 O ATOM 84 CB CYS A 9 -1.165 7.572 3.354 1.00 0.00 C ATOM 85 SG CYS A 9 -2.801 7.414 2.600 1.00 0.00 S ATOM 0 HA CYS A 9 -1.756 6.151 4.853 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.097 8.540 3.850 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -0.411 7.564 2.567 1.00 0.00 H new ATOM 0 HG CYS A 9 -3.571 8.369 3.029 1.00 0.00 H new ATOM 91 N ARG A 10 -0.883 4.125 3.761 1.00 0.00 N ATOM 92 CA ARG A 10 -0.401 2.904 3.128 1.00 0.00 C ATOM 93 C ARG A 10 -1.553 2.129 2.494 1.00 0.00 C ATOM 94 O ARG A 10 -2.679 2.151 2.993 1.00 0.00 O ATOM 95 CB ARG A 10 0.318 2.023 4.151 1.00 0.00 C ATOM 96 CG ARG A 10 1.710 2.518 4.510 1.00 0.00 C ATOM 97 CD ARG A 10 2.394 1.589 5.501 1.00 0.00 C ATOM 98 NE ARG A 10 2.077 1.934 6.884 1.00 0.00 N ATOM 99 CZ ARG A 10 2.592 2.984 7.515 1.00 0.00 C ATOM 100 NH1 ARG A 10 3.443 3.786 6.890 1.00 0.00 N ATOM 101 NH2 ARG A 10 2.255 3.233 8.774 1.00 0.00 N ATOM 0 H ARG A 10 -1.753 4.015 4.282 1.00 0.00 H new ATOM 0 HA ARG A 10 0.301 3.185 2.343 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -0.284 1.969 5.058 1.00 0.00 H new ATOM 0 HB3 ARG A 10 0.392 1.010 3.757 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.314 2.596 3.606 1.00 0.00 H new ATOM 0 HG3 ARG A 10 1.643 3.519 4.935 1.00 0.00 H new ATOM 0 HD2 ARG A 10 2.088 0.561 5.305 1.00 0.00 H new ATOM 0 HD3 ARG A 10 3.473 1.634 5.355 1.00 0.00 H new ATOM 0 HE ARG A 10 1.425 1.337 7.393 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.704 3.598 5.922 1.00 0.00 H new ATOM 0 HH12 ARG A 10 3.837 4.591 7.377 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.600 2.618 9.258 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.651 4.039 9.258 1.00 0.00 H new ATOM 115 N LEU A 11 -1.264 1.446 1.392 1.00 0.00 N ATOM 116 CA LEU A 11 -2.275 0.664 0.689 1.00 0.00 C ATOM 117 C LEU A 11 -2.040 -0.831 0.882 1.00 0.00 C ATOM 118 O LEU A 11 -0.907 -1.307 0.802 1.00 0.00 O ATOM 119 CB LEU A 11 -2.266 1.005 -0.802 1.00 0.00 C ATOM 120 CG LEU A 11 -2.848 2.367 -1.182 1.00 0.00 C ATOM 121 CD1 LEU A 11 -3.001 2.479 -2.691 1.00 0.00 C ATOM 122 CD2 LEU A 11 -4.185 2.589 -0.490 1.00 0.00 C ATOM 0 H LEU A 11 -0.338 1.418 0.966 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.249 0.916 1.107 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.237 0.960 -1.159 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.822 0.233 -1.334 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.157 3.141 -0.849 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.417 3.455 -2.943 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.026 2.366 -3.165 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.670 1.696 -3.048 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.584 3.563 -0.773 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.885 1.809 -0.791 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.046 2.553 0.590 1.00 0.00 H new ATOM 134 N PHE A 12 -3.117 -1.566 1.136 1.00 0.00 N ATOM 135 CA PHE A 12 -3.028 -3.008 1.339 1.00 0.00 C ATOM 136 C PHE A 12 -3.082 -3.749 0.006 1.00 0.00 C ATOM 137 O PHE A 12 -4.151 -3.908 -0.584 1.00 0.00 O ATOM 138 CB PHE A 12 -4.161 -3.487 2.248 1.00 0.00 C ATOM 139 CG PHE A 12 -4.080 -4.947 2.588 1.00 0.00 C ATOM 140 CD1 PHE A 12 -4.578 -5.904 1.718 1.00 0.00 C ATOM 141 CD2 PHE A 12 -3.506 -5.365 3.778 1.00 0.00 C ATOM 142 CE1 PHE A 12 -4.505 -7.248 2.028 1.00 0.00 C ATOM 143 CE2 PHE A 12 -3.430 -6.708 4.094 1.00 0.00 C ATOM 144 CZ PHE A 12 -3.930 -7.651 3.218 1.00 0.00 C ATOM 0 H PHE A 12 -4.062 -1.188 1.206 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.072 -3.224 1.817 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -4.146 -2.906 3.170 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.116 -3.288 1.761 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -5.029 -5.595 0.786 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.113 -4.632 4.467 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -4.897 -7.983 1.341 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.980 -7.020 5.025 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.872 -8.701 3.462 1.00 0.00 H new ATOM 154 N ILE A 13 -1.923 -4.199 -0.461 1.00 0.00 N ATOM 155 CA ILE A 13 -1.837 -4.923 -1.723 1.00 0.00 C ATOM 156 C ILE A 13 -1.722 -6.425 -1.488 1.00 0.00 C ATOM 157 O ILE A 13 -0.760 -6.897 -0.882 1.00 0.00 O ATOM 158 CB ILE A 13 -0.635 -4.452 -2.563 1.00 0.00 C ATOM 159 CG1 ILE A 13 -0.492 -2.931 -2.479 1.00 0.00 C ATOM 160 CG2 ILE A 13 -0.793 -4.896 -4.009 1.00 0.00 C ATOM 161 CD1 ILE A 13 -1.678 -2.180 -3.042 1.00 0.00 C ATOM 0 H ILE A 13 -1.030 -4.075 0.016 1.00 0.00 H new ATOM 0 HA ILE A 13 -2.756 -4.712 -2.270 1.00 0.00 H new ATOM 0 HB ILE A 13 0.271 -4.906 -2.161 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.352 -2.644 -1.437 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.407 -2.629 -3.016 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.064 -4.556 -4.590 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.851 -5.984 -4.051 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.705 -4.467 -4.424 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.507 -1.108 -2.949 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.806 -2.437 -4.093 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.577 -2.453 -2.490 1.00 0.00 H new ATOM 173 N GLY A 14 -2.708 -7.173 -1.973 1.00 0.00 N ATOM 174 CA GLY A 14 -2.697 -8.615 -1.807 1.00 0.00 C ATOM 175 C GLY A 14 -2.870 -9.351 -3.121 1.00 0.00 C ATOM 176 O GLY A 14 -3.537 -8.862 -4.031 1.00 0.00 O ATOM 0 H GLY A 14 -3.515 -6.806 -2.478 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -1.757 -8.917 -1.346 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.495 -8.905 -1.124 1.00 0.00 H new ATOM 180 N GLY A 15 -2.264 -10.531 -3.220 1.00 0.00 N ATOM 181 CA GLY A 15 -2.364 -11.316 -4.436 1.00 0.00 C ATOM 182 C GLY A 15 -1.102 -11.252 -5.273 1.00 0.00 C ATOM 183 O GLY A 15 -0.988 -11.937 -6.290 1.00 0.00 O ATOM 0 H GLY A 15 -1.706 -10.957 -2.480 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.573 -12.354 -4.178 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.207 -10.958 -5.027 1.00 0.00 H new ATOM 187 N ILE A 16 -0.153 -10.426 -4.847 1.00 0.00 N ATOM 188 CA ILE A 16 1.107 -10.275 -5.565 1.00 0.00 C ATOM 189 C ILE A 16 1.991 -11.505 -5.388 1.00 0.00 C ATOM 190 O ILE A 16 1.980 -12.164 -4.348 1.00 0.00 O ATOM 191 CB ILE A 16 1.879 -9.029 -5.092 1.00 0.00 C ATOM 192 CG1 ILE A 16 2.129 -9.099 -3.584 1.00 0.00 C ATOM 193 CG2 ILE A 16 1.113 -7.764 -5.449 1.00 0.00 C ATOM 194 CD1 ILE A 16 3.298 -8.256 -3.125 1.00 0.00 C ATOM 0 H ILE A 16 -0.232 -9.851 -4.008 1.00 0.00 H new ATOM 0 HA ILE A 16 0.857 -10.159 -6.620 1.00 0.00 H new ATOM 0 HB ILE A 16 2.843 -9.002 -5.600 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.230 -8.775 -3.060 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.307 -10.137 -3.301 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.671 -6.892 -5.108 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.982 -7.711 -6.530 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.136 -7.781 -4.965 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.416 -8.354 -2.046 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.207 -8.594 -3.622 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.114 -7.211 -3.376 1.00 0.00 H new ATOM 206 N PRO A 17 2.778 -11.822 -6.426 1.00 0.00 N ATOM 207 CA PRO A 17 3.686 -12.972 -6.409 1.00 0.00 C ATOM 208 C PRO A 17 4.859 -12.772 -5.455 1.00 0.00 C ATOM 209 O PRO A 17 5.630 -11.822 -5.594 1.00 0.00 O ATOM 210 CB PRO A 17 4.181 -13.055 -7.855 1.00 0.00 C ATOM 211 CG PRO A 17 4.046 -11.668 -8.382 1.00 0.00 C ATOM 212 CD PRO A 17 2.844 -11.081 -7.697 1.00 0.00 C ATOM 0 HA PRO A 17 3.189 -13.878 -6.061 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.215 -13.397 -7.900 1.00 0.00 H new ATOM 0 HB3 PRO A 17 3.587 -13.759 -8.437 1.00 0.00 H new ATOM 0 HG2 PRO A 17 4.940 -11.082 -8.171 1.00 0.00 H new ATOM 0 HG3 PRO A 17 3.915 -11.673 -9.464 1.00 0.00 H new ATOM 0 HD2 PRO A 17 2.959 -10.010 -7.532 1.00 0.00 H new ATOM 0 HD3 PRO A 17 1.939 -11.217 -8.288 1.00 0.00 H new ATOM 220 N LYS A 18 4.988 -13.672 -4.487 1.00 0.00 N ATOM 221 CA LYS A 18 6.068 -13.595 -3.510 1.00 0.00 C ATOM 222 C LYS A 18 7.428 -13.598 -4.201 1.00 0.00 C ATOM 223 O LYS A 18 8.370 -12.954 -3.740 1.00 0.00 O ATOM 224 CB LYS A 18 5.980 -14.767 -2.529 1.00 0.00 C ATOM 225 CG LYS A 18 4.608 -14.930 -1.899 1.00 0.00 C ATOM 226 CD LYS A 18 4.333 -16.378 -1.530 1.00 0.00 C ATOM 227 CE LYS A 18 4.803 -16.693 -0.118 1.00 0.00 C ATOM 228 NZ LYS A 18 5.132 -18.136 0.048 1.00 0.00 N ATOM 0 H LYS A 18 4.358 -14.464 -4.358 1.00 0.00 H new ATOM 0 HA LYS A 18 5.961 -12.660 -2.960 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.243 -15.687 -3.051 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.719 -14.626 -1.740 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.540 -14.307 -1.007 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.844 -14.579 -2.593 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.265 -16.579 -1.612 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.837 -17.037 -2.238 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.681 -16.091 0.115 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.027 -16.413 0.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.448 -18.310 1.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 4.287 -18.710 -0.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.891 -18.397 -0.614 1.00 0.00 H new ATOM 242 N MET A 19 7.522 -14.326 -5.309 1.00 0.00 N ATOM 243 CA MET A 19 8.767 -14.410 -6.065 1.00 0.00 C ATOM 244 C MET A 19 9.414 -13.036 -6.199 1.00 0.00 C ATOM 245 O MET A 19 10.627 -12.924 -6.381 1.00 0.00 O ATOM 246 CB MET A 19 8.508 -15.003 -7.451 1.00 0.00 C ATOM 247 CG MET A 19 7.896 -14.015 -8.430 1.00 0.00 C ATOM 248 SD MET A 19 6.983 -14.826 -9.757 1.00 0.00 S ATOM 249 CE MET A 19 5.865 -15.861 -8.815 1.00 0.00 C ATOM 0 H MET A 19 6.752 -14.866 -5.703 1.00 0.00 H new ATOM 0 HA MET A 19 9.450 -15.062 -5.521 1.00 0.00 H new ATOM 0 HB2 MET A 19 9.448 -15.373 -7.860 1.00 0.00 H new ATOM 0 HB3 MET A 19 7.844 -15.862 -7.351 1.00 0.00 H new ATOM 0 HG2 MET A 19 7.227 -13.343 -7.892 1.00 0.00 H new ATOM 0 HG3 MET A 19 8.686 -13.400 -8.861 1.00 0.00 H new ATOM 0 HE1 MET A 19 4.861 -15.786 -9.233 1.00 0.00 H new ATOM 0 HE2 MET A 19 6.202 -16.897 -8.862 1.00 0.00 H new ATOM 0 HE3 MET A 19 5.851 -15.531 -7.776 1.00 0.00 H new ATOM 259 N LYS A 20 8.598 -11.991 -6.110 1.00 0.00 N ATOM 260 CA LYS A 20 9.091 -10.623 -6.221 1.00 0.00 C ATOM 261 C LYS A 20 9.605 -10.119 -4.876 1.00 0.00 C ATOM 262 O LYS A 20 9.545 -10.828 -3.872 1.00 0.00 O ATOM 263 CB LYS A 20 7.983 -9.700 -6.734 1.00 0.00 C ATOM 264 CG LYS A 20 7.192 -10.285 -7.891 1.00 0.00 C ATOM 265 CD LYS A 20 8.025 -10.349 -9.161 1.00 0.00 C ATOM 266 CE LYS A 20 7.391 -11.263 -10.198 1.00 0.00 C ATOM 267 NZ LYS A 20 8.387 -11.748 -11.193 1.00 0.00 N ATOM 0 H LYS A 20 7.592 -12.065 -5.961 1.00 0.00 H new ATOM 0 HA LYS A 20 9.918 -10.618 -6.931 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.300 -9.475 -5.915 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.425 -8.755 -7.048 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.849 -11.286 -7.629 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.303 -9.680 -8.068 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.135 -9.347 -9.576 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.027 -10.707 -8.923 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.932 -12.116 -9.698 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.593 -10.729 -10.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.916 -12.368 -11.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.807 -10.936 -11.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.135 -12.280 -10.704 1.00 0.00 H new ATOM 281 N LYS A 21 10.109 -8.890 -4.864 1.00 0.00 N ATOM 282 CA LYS A 21 10.631 -8.289 -3.642 1.00 0.00 C ATOM 283 C LYS A 21 10.117 -6.862 -3.475 1.00 0.00 C ATOM 284 O LYS A 21 9.434 -6.332 -4.351 1.00 0.00 O ATOM 285 CB LYS A 21 12.161 -8.291 -3.662 1.00 0.00 C ATOM 286 CG LYS A 21 12.769 -9.677 -3.535 1.00 0.00 C ATOM 287 CD LYS A 21 12.892 -10.358 -4.888 1.00 0.00 C ATOM 288 CE LYS A 21 13.961 -9.702 -5.747 1.00 0.00 C ATOM 289 NZ LYS A 21 14.485 -10.631 -6.786 1.00 0.00 N ATOM 0 H LYS A 21 10.167 -8.290 -5.687 1.00 0.00 H new ATOM 0 HA LYS A 21 10.283 -8.883 -2.797 1.00 0.00 H new ATOM 0 HB2 LYS A 21 12.504 -7.836 -4.591 1.00 0.00 H new ATOM 0 HB3 LYS A 21 12.528 -7.667 -2.847 1.00 0.00 H new ATOM 0 HG2 LYS A 21 13.754 -9.602 -3.073 1.00 0.00 H new ATOM 0 HG3 LYS A 21 12.152 -10.287 -2.874 1.00 0.00 H new ATOM 0 HD2 LYS A 21 13.134 -11.411 -4.746 1.00 0.00 H new ATOM 0 HD3 LYS A 21 11.933 -10.318 -5.405 1.00 0.00 H new ATOM 0 HE2 LYS A 21 13.547 -8.816 -6.228 1.00 0.00 H new ATOM 0 HE3 LYS A 21 14.781 -9.367 -5.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 15.212 -10.146 -7.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 14.903 -11.465 -6.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 13.707 -10.931 -7.407 1.00 0.00 H new ATOM 303 N ARG A 22 10.450 -6.247 -2.345 1.00 0.00 N ATOM 304 CA ARG A 22 10.022 -4.882 -2.063 1.00 0.00 C ATOM 305 C ARG A 22 10.582 -3.912 -3.099 1.00 0.00 C ATOM 306 O ARG A 22 9.936 -2.926 -3.452 1.00 0.00 O ATOM 307 CB ARG A 22 10.469 -4.463 -0.662 1.00 0.00 C ATOM 308 CG ARG A 22 11.970 -4.255 -0.539 1.00 0.00 C ATOM 309 CD ARG A 22 12.460 -4.549 0.871 1.00 0.00 C ATOM 310 NE ARG A 22 13.628 -3.747 1.222 1.00 0.00 N ATOM 311 CZ ARG A 22 13.583 -2.437 1.440 1.00 0.00 C ATOM 312 NH1 ARG A 22 12.432 -1.785 1.343 1.00 0.00 N ATOM 313 NH2 ARG A 22 14.690 -1.777 1.756 1.00 0.00 N ATOM 0 H ARG A 22 11.015 -6.672 -1.610 1.00 0.00 H new ATOM 0 HA ARG A 22 8.934 -4.852 -2.113 1.00 0.00 H new ATOM 0 HB2 ARG A 22 9.959 -3.539 -0.388 1.00 0.00 H new ATOM 0 HB3 ARG A 22 10.156 -5.224 0.053 1.00 0.00 H new ATOM 0 HG2 ARG A 22 12.487 -4.902 -1.247 1.00 0.00 H new ATOM 0 HG3 ARG A 22 12.219 -3.228 -0.805 1.00 0.00 H new ATOM 0 HD2 ARG A 22 11.658 -4.352 1.582 1.00 0.00 H new ATOM 0 HD3 ARG A 22 12.708 -5.607 0.955 1.00 0.00 H new ATOM 0 HE ARG A 22 14.529 -4.218 1.305 1.00 0.00 H new ATOM 0 HH11 ARG A 22 11.579 -2.289 1.101 1.00 0.00 H new ATOM 0 HH12 ARG A 22 12.400 -0.779 1.511 1.00 0.00 H new ATOM 0 HH21 ARG A 22 15.577 -2.275 1.832 1.00 0.00 H new ATOM 0 HH22 ARG A 22 14.654 -0.771 1.923 1.00 0.00 H new ATOM 327 N GLU A 23 11.787 -4.199 -3.581 1.00 0.00 N ATOM 328 CA GLU A 23 12.434 -3.351 -4.575 1.00 0.00 C ATOM 329 C GLU A 23 11.673 -3.386 -5.898 1.00 0.00 C ATOM 330 O GLU A 23 11.515 -2.362 -6.561 1.00 0.00 O ATOM 331 CB GLU A 23 13.881 -3.797 -4.795 1.00 0.00 C ATOM 332 CG GLU A 23 14.017 -5.268 -5.152 1.00 0.00 C ATOM 333 CD GLU A 23 15.463 -5.700 -5.301 1.00 0.00 C ATOM 334 OE1 GLU A 23 16.161 -5.142 -6.173 1.00 0.00 O ATOM 335 OE2 GLU A 23 15.895 -6.596 -4.547 1.00 0.00 O ATOM 0 H GLU A 23 12.335 -5.012 -3.299 1.00 0.00 H new ATOM 0 HA GLU A 23 12.430 -2.328 -4.200 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.320 -3.196 -5.591 1.00 0.00 H new ATOM 0 HB3 GLU A 23 14.456 -3.597 -3.891 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.539 -5.871 -4.380 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.486 -5.463 -6.083 1.00 0.00 H new ATOM 342 N GLU A 24 11.205 -4.572 -6.274 1.00 0.00 N ATOM 343 CA GLU A 24 10.462 -4.740 -7.517 1.00 0.00 C ATOM 344 C GLU A 24 9.053 -4.168 -7.391 1.00 0.00 C ATOM 345 O GLU A 24 8.633 -3.341 -8.201 1.00 0.00 O ATOM 346 CB GLU A 24 10.391 -6.220 -7.899 1.00 0.00 C ATOM 347 CG GLU A 24 11.752 -6.855 -8.131 1.00 0.00 C ATOM 348 CD GLU A 24 11.682 -8.074 -9.030 1.00 0.00 C ATOM 349 OE1 GLU A 24 11.465 -9.186 -8.504 1.00 0.00 O ATOM 350 OE2 GLU A 24 11.844 -7.917 -10.258 1.00 0.00 O ATOM 0 H GLU A 24 11.327 -5.430 -5.736 1.00 0.00 H new ATOM 0 HA GLU A 24 10.988 -4.195 -8.301 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.875 -6.766 -7.109 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.792 -6.325 -8.803 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.421 -6.118 -8.576 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.184 -7.140 -7.172 1.00 0.00 H new ATOM 357 N ILE A 25 8.328 -4.616 -6.371 1.00 0.00 N ATOM 358 CA ILE A 25 6.967 -4.149 -6.139 1.00 0.00 C ATOM 359 C ILE A 25 6.871 -2.635 -6.298 1.00 0.00 C ATOM 360 O ILE A 25 6.073 -2.133 -7.092 1.00 0.00 O ATOM 361 CB ILE A 25 6.471 -4.538 -4.734 1.00 0.00 C ATOM 362 CG1 ILE A 25 6.435 -6.060 -4.585 1.00 0.00 C ATOM 363 CG2 ILE A 25 5.095 -3.943 -4.474 1.00 0.00 C ATOM 364 CD1 ILE A 25 6.640 -6.534 -3.163 1.00 0.00 C ATOM 0 H ILE A 25 8.660 -5.301 -5.693 1.00 0.00 H new ATOM 0 HA ILE A 25 6.336 -4.631 -6.885 1.00 0.00 H new ATOM 0 HB ILE A 25 7.165 -4.136 -3.996 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.476 -6.430 -4.948 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.206 -6.497 -5.220 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.758 -4.227 -3.477 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.149 -2.857 -4.543 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.390 -4.319 -5.216 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.602 -7.623 -3.133 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.611 -6.195 -2.803 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.855 -6.126 -2.527 1.00 0.00 H new ATOM 376 N LEU A 26 7.689 -1.913 -5.542 1.00 0.00 N ATOM 377 CA LEU A 26 7.698 -0.455 -5.600 1.00 0.00 C ATOM 378 C LEU A 26 7.675 0.032 -7.045 1.00 0.00 C ATOM 379 O LEU A 26 6.786 0.784 -7.443 1.00 0.00 O ATOM 380 CB LEU A 26 8.932 0.096 -4.883 1.00 0.00 C ATOM 381 CG LEU A 26 9.259 1.567 -5.145 1.00 0.00 C ATOM 382 CD1 LEU A 26 8.555 2.459 -4.134 1.00 0.00 C ATOM 383 CD2 LEU A 26 10.763 1.794 -5.103 1.00 0.00 C ATOM 0 H LEU A 26 8.355 -2.313 -4.881 1.00 0.00 H new ATOM 0 HA LEU A 26 6.802 -0.090 -5.099 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.795 -0.040 -3.810 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.794 -0.504 -5.173 1.00 0.00 H new ATOM 0 HG LEU A 26 8.900 1.828 -6.140 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.800 3.502 -4.336 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.477 2.317 -4.212 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.883 2.198 -3.128 1.00 0.00 H new ATOM 0 HD21 LEU A 26 10.978 2.846 -5.291 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.146 1.516 -4.121 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.245 1.183 -5.866 1.00 0.00 H new ATOM 395 N GLU A 27 8.659 -0.404 -7.827 1.00 0.00 N ATOM 396 CA GLU A 27 8.750 -0.012 -9.229 1.00 0.00 C ATOM 397 C GLU A 27 7.413 -0.212 -9.937 1.00 0.00 C ATOM 398 O GLU A 27 6.890 0.707 -10.566 1.00 0.00 O ATOM 399 CB GLU A 27 9.840 -0.819 -9.936 1.00 0.00 C ATOM 400 CG GLU A 27 10.422 -0.120 -11.153 1.00 0.00 C ATOM 401 CD GLU A 27 10.914 -1.093 -12.206 1.00 0.00 C ATOM 402 OE1 GLU A 27 10.296 -2.168 -12.357 1.00 0.00 O ATOM 403 OE2 GLU A 27 11.919 -0.781 -12.879 1.00 0.00 O ATOM 0 H GLU A 27 9.403 -1.028 -7.514 1.00 0.00 H new ATOM 0 HA GLU A 27 9.008 1.046 -9.269 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.643 -1.027 -9.229 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.428 -1.780 -10.242 1.00 0.00 H new ATOM 0 HG2 GLU A 27 9.664 0.530 -11.590 1.00 0.00 H new ATOM 0 HG3 GLU A 27 11.248 0.519 -10.840 1.00 0.00 H new ATOM 410 N GLU A 28 6.868 -1.419 -9.830 1.00 0.00 N ATOM 411 CA GLU A 28 5.593 -1.740 -10.462 1.00 0.00 C ATOM 412 C GLU A 28 4.479 -0.846 -9.924 1.00 0.00 C ATOM 413 O GLU A 28 3.424 -0.711 -10.544 1.00 0.00 O ATOM 414 CB GLU A 28 5.239 -3.210 -10.230 1.00 0.00 C ATOM 415 CG GLU A 28 5.761 -4.140 -11.313 1.00 0.00 C ATOM 416 CD GLU A 28 5.395 -3.673 -12.709 1.00 0.00 C ATOM 417 OE1 GLU A 28 4.238 -3.890 -13.124 1.00 0.00 O ATOM 418 OE2 GLU A 28 6.267 -3.089 -13.386 1.00 0.00 O ATOM 0 H GLU A 28 7.289 -2.191 -9.312 1.00 0.00 H new ATOM 0 HA GLU A 28 5.693 -1.563 -11.533 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.642 -3.525 -9.267 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.155 -3.309 -10.169 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.845 -4.214 -11.231 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.360 -5.141 -11.152 1.00 0.00 H new ATOM 425 N ILE A 29 4.723 -0.239 -8.767 1.00 0.00 N ATOM 426 CA ILE A 29 3.741 0.641 -8.146 1.00 0.00 C ATOM 427 C ILE A 29 3.911 2.079 -8.626 1.00 0.00 C ATOM 428 O ILE A 29 2.932 2.785 -8.863 1.00 0.00 O ATOM 429 CB ILE A 29 3.848 0.609 -6.610 1.00 0.00 C ATOM 430 CG1 ILE A 29 3.374 -0.744 -6.073 1.00 0.00 C ATOM 431 CG2 ILE A 29 3.037 1.741 -5.999 1.00 0.00 C ATOM 432 CD1 ILE A 29 2.067 -1.208 -6.676 1.00 0.00 C ATOM 0 H ILE A 29 5.591 -0.341 -8.242 1.00 0.00 H new ATOM 0 HA ILE A 29 2.758 0.275 -8.441 1.00 0.00 H new ATOM 0 HB ILE A 29 4.893 0.745 -6.330 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.141 -1.493 -6.269 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.262 -0.678 -4.991 1.00 0.00 H new ATOM 0 HG21 ILE A 29 3.123 1.705 -4.913 1.00 0.00 H new ATOM 0 HG22 ILE A 29 3.416 2.697 -6.361 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.990 1.634 -6.284 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.792 -2.173 -6.250 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.287 -0.479 -6.458 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.179 -1.307 -7.756 1.00 0.00 H new ATOM 444 N ALA A 30 5.162 2.505 -8.768 1.00 0.00 N ATOM 445 CA ALA A 30 5.461 3.857 -9.223 1.00 0.00 C ATOM 446 C ALA A 30 4.817 4.136 -10.577 1.00 0.00 C ATOM 447 O ALA A 30 4.758 5.281 -11.025 1.00 0.00 O ATOM 448 CB ALA A 30 6.966 4.068 -9.299 1.00 0.00 C ATOM 0 H ALA A 30 5.984 1.933 -8.574 1.00 0.00 H new ATOM 0 HA ALA A 30 5.043 4.557 -8.500 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.174 5.082 -9.640 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.404 3.920 -8.312 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.399 3.353 -9.999 1.00 0.00 H new ATOM 454 N LYS A 31 4.335 3.081 -11.226 1.00 0.00 N ATOM 455 CA LYS A 31 3.694 3.211 -12.529 1.00 0.00 C ATOM 456 C LYS A 31 2.178 3.101 -12.404 1.00 0.00 C ATOM 457 O LYS A 31 1.439 3.931 -12.934 1.00 0.00 O ATOM 458 CB LYS A 31 4.216 2.137 -13.487 1.00 0.00 C ATOM 459 CG LYS A 31 4.449 0.791 -12.822 1.00 0.00 C ATOM 460 CD LYS A 31 5.000 -0.228 -13.805 1.00 0.00 C ATOM 461 CE LYS A 31 6.505 -0.082 -13.976 1.00 0.00 C ATOM 462 NZ LYS A 31 7.011 -0.868 -15.134 1.00 0.00 N ATOM 0 H LYS A 31 4.376 2.126 -10.870 1.00 0.00 H new ATOM 0 HA LYS A 31 3.937 4.196 -12.928 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.503 2.012 -14.302 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.151 2.481 -13.930 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.145 0.910 -11.991 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.512 0.424 -12.403 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.769 -1.234 -13.455 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.510 -0.105 -14.771 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.754 0.970 -14.115 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.007 -0.411 -13.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.011 -0.637 -15.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.919 -1.884 -14.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.457 -0.633 -15.982 1.00 0.00 H new ATOM 476 N VAL A 32 1.720 2.072 -11.697 1.00 0.00 N ATOM 477 CA VAL A 32 0.292 1.856 -11.500 1.00 0.00 C ATOM 478 C VAL A 32 -0.319 2.962 -10.647 1.00 0.00 C ATOM 479 O VAL A 32 -1.489 3.310 -10.806 1.00 0.00 O ATOM 480 CB VAL A 32 0.018 0.496 -10.830 1.00 0.00 C ATOM 481 CG1 VAL A 32 0.782 -0.612 -11.539 1.00 0.00 C ATOM 482 CG2 VAL A 32 0.382 0.546 -9.354 1.00 0.00 C ATOM 0 H VAL A 32 2.317 1.376 -11.252 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.169 1.866 -12.488 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.047 0.279 -10.910 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.576 -1.565 -11.052 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.467 -0.662 -12.581 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.851 -0.404 -11.493 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.182 -0.423 -8.897 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.440 0.786 -9.248 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.215 1.311 -8.858 1.00 0.00 H new ATOM 492 N THR A 33 0.482 3.513 -9.740 1.00 0.00 N ATOM 493 CA THR A 33 0.021 4.580 -8.861 1.00 0.00 C ATOM 494 C THR A 33 1.040 5.711 -8.788 1.00 0.00 C ATOM 495 O THR A 33 2.167 5.515 -8.336 1.00 0.00 O ATOM 496 CB THR A 33 -0.251 4.057 -7.437 1.00 0.00 C ATOM 497 OG1 THR A 33 0.970 3.604 -6.841 1.00 0.00 O ATOM 498 CG2 THR A 33 -1.261 2.920 -7.462 1.00 0.00 C ATOM 0 H THR A 33 1.453 3.238 -9.595 1.00 0.00 H new ATOM 0 HA THR A 33 -0.909 4.959 -9.285 1.00 0.00 H new ATOM 0 HB THR A 33 -0.663 4.875 -6.845 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.651 3.490 -7.536 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.437 2.567 -6.446 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.198 3.275 -7.890 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.873 2.102 -8.068 1.00 0.00 H new ATOM 506 N GLU A 34 0.635 6.896 -9.236 1.00 0.00 N ATOM 507 CA GLU A 34 1.514 8.059 -9.221 1.00 0.00 C ATOM 508 C GLU A 34 1.387 8.820 -7.905 1.00 0.00 C ATOM 509 O GLU A 34 0.340 9.392 -7.605 1.00 0.00 O ATOM 510 CB GLU A 34 1.189 8.987 -10.394 1.00 0.00 C ATOM 511 CG GLU A 34 1.882 8.597 -11.689 1.00 0.00 C ATOM 512 CD GLU A 34 1.705 9.634 -12.780 1.00 0.00 C ATOM 513 OE1 GLU A 34 2.541 10.559 -12.861 1.00 0.00 O ATOM 514 OE2 GLU A 34 0.731 9.521 -13.553 1.00 0.00 O ATOM 0 H GLU A 34 -0.296 7.075 -9.613 1.00 0.00 H new ATOM 0 HA GLU A 34 2.541 7.708 -9.319 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.111 8.991 -10.556 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.475 10.005 -10.131 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.946 8.453 -11.499 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.488 7.641 -12.034 1.00 0.00 H new ATOM 521 N GLY A 35 2.462 8.823 -7.123 1.00 0.00 N ATOM 522 CA GLY A 35 2.451 9.516 -5.848 1.00 0.00 C ATOM 523 C GLY A 35 2.939 8.643 -4.709 1.00 0.00 C ATOM 524 O GLY A 35 2.764 8.982 -3.538 1.00 0.00 O ATOM 0 H GLY A 35 3.341 8.358 -7.350 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.079 10.404 -5.915 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.438 9.857 -5.632 1.00 0.00 H new ATOM 528 N VAL A 36 3.551 7.514 -5.051 1.00 0.00 N ATOM 529 CA VAL A 36 4.066 6.589 -4.048 1.00 0.00 C ATOM 530 C VAL A 36 5.419 7.050 -3.518 1.00 0.00 C ATOM 531 O VAL A 36 6.209 7.654 -4.244 1.00 0.00 O ATOM 532 CB VAL A 36 4.207 5.165 -4.618 1.00 0.00 C ATOM 533 CG1 VAL A 36 3.068 4.859 -5.579 1.00 0.00 C ATOM 534 CG2 VAL A 36 5.554 4.998 -5.305 1.00 0.00 C ATOM 0 H VAL A 36 3.702 7.218 -6.015 1.00 0.00 H new ATOM 0 HA VAL A 36 3.345 6.575 -3.230 1.00 0.00 H new ATOM 0 HB VAL A 36 4.155 4.455 -3.793 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.185 3.849 -5.972 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.117 4.936 -5.052 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.085 5.573 -6.403 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.637 3.986 -5.702 1.00 0.00 H new ATOM 0 HG22 VAL A 36 5.638 5.716 -6.121 1.00 0.00 H new ATOM 0 HG23 VAL A 36 6.354 5.172 -4.585 1.00 0.00 H new ATOM 544 N LEU A 37 5.681 6.759 -2.249 1.00 0.00 N ATOM 545 CA LEU A 37 6.940 7.143 -1.620 1.00 0.00 C ATOM 546 C LEU A 37 7.882 5.948 -1.514 1.00 0.00 C ATOM 547 O LEU A 37 9.047 6.026 -1.905 1.00 0.00 O ATOM 548 CB LEU A 37 6.682 7.728 -0.231 1.00 0.00 C ATOM 549 CG LEU A 37 7.683 8.778 0.252 1.00 0.00 C ATOM 550 CD1 LEU A 37 7.776 9.925 -0.743 1.00 0.00 C ATOM 551 CD2 LEU A 37 7.292 9.295 1.629 1.00 0.00 C ATOM 0 H LEU A 37 5.039 6.258 -1.635 1.00 0.00 H new ATOM 0 HA LEU A 37 7.413 7.901 -2.244 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.687 8.174 -0.226 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.668 6.910 0.489 1.00 0.00 H new ATOM 0 HG LEU A 37 8.664 8.309 0.327 1.00 0.00 H new ATOM 0 HD11 LEU A 37 8.493 10.662 -0.382 1.00 0.00 H new ATOM 0 HD12 LEU A 37 8.104 9.543 -1.710 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.798 10.393 -0.851 1.00 0.00 H new ATOM 0 HD21 LEU A 37 8.016 10.041 1.956 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.301 9.747 1.580 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.278 8.467 2.338 1.00 0.00 H new ATOM 563 N ASP A 38 7.369 4.842 -0.985 1.00 0.00 N ATOM 564 CA ASP A 38 8.163 3.629 -0.830 1.00 0.00 C ATOM 565 C ASP A 38 7.265 2.416 -0.611 1.00 0.00 C ATOM 566 O ASP A 38 6.048 2.547 -0.479 1.00 0.00 O ATOM 567 CB ASP A 38 9.137 3.777 0.340 1.00 0.00 C ATOM 568 CG ASP A 38 10.472 4.356 -0.087 1.00 0.00 C ATOM 569 OD1 ASP A 38 10.963 3.976 -1.170 1.00 0.00 O ATOM 570 OD2 ASP A 38 11.025 5.187 0.663 1.00 0.00 O ATOM 0 H ASP A 38 6.407 4.761 -0.656 1.00 0.00 H new ATOM 0 HA ASP A 38 8.731 3.476 -1.748 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.692 4.419 1.100 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.298 2.802 0.801 1.00 0.00 H new ATOM 575 N VAL A 39 7.873 1.235 -0.573 1.00 0.00 N ATOM 576 CA VAL A 39 7.129 -0.002 -0.370 1.00 0.00 C ATOM 577 C VAL A 39 7.730 -0.825 0.764 1.00 0.00 C ATOM 578 O VAL A 39 8.951 -0.898 0.912 1.00 0.00 O ATOM 579 CB VAL A 39 7.100 -0.857 -1.651 1.00 0.00 C ATOM 580 CG1 VAL A 39 6.682 -2.285 -1.331 1.00 0.00 C ATOM 581 CG2 VAL A 39 6.168 -0.239 -2.682 1.00 0.00 C ATOM 0 H VAL A 39 8.879 1.109 -0.680 1.00 0.00 H new ATOM 0 HA VAL A 39 6.109 0.281 -0.109 1.00 0.00 H new ATOM 0 HB VAL A 39 8.105 -0.884 -2.072 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.667 -2.874 -2.248 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.392 -2.723 -0.630 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.687 -2.282 -0.886 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.159 -0.856 -3.581 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.160 -0.181 -2.272 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.516 0.763 -2.933 1.00 0.00 H new ATOM 591 N ILE A 40 6.866 -1.444 1.561 1.00 0.00 N ATOM 592 CA ILE A 40 7.313 -2.264 2.681 1.00 0.00 C ATOM 593 C ILE A 40 6.848 -3.708 2.524 1.00 0.00 C ATOM 594 O ILE A 40 5.795 -3.974 1.946 1.00 0.00 O ATOM 595 CB ILE A 40 6.796 -1.713 4.023 1.00 0.00 C ATOM 596 CG1 ILE A 40 7.172 -0.237 4.172 1.00 0.00 C ATOM 597 CG2 ILE A 40 7.355 -2.527 5.180 1.00 0.00 C ATOM 598 CD1 ILE A 40 6.167 0.708 3.553 1.00 0.00 C ATOM 0 H ILE A 40 5.853 -1.394 1.452 1.00 0.00 H new ATOM 0 HA ILE A 40 8.403 -2.233 2.681 1.00 0.00 H new ATOM 0 HB ILE A 40 5.709 -1.795 4.038 1.00 0.00 H new ATOM 0 HG12 ILE A 40 7.275 -0.002 5.231 1.00 0.00 H new ATOM 0 HG13 ILE A 40 8.146 -0.070 3.712 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.981 -2.125 6.122 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.042 -3.566 5.079 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.444 -2.473 5.170 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.498 1.736 3.697 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.081 0.500 2.486 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.196 0.570 4.029 1.00 0.00 H new ATOM 806 N PHE A 54 1.764 -10.576 -0.141 1.00 0.00 N ATOM 807 CA PHE A 54 1.241 -9.227 0.044 1.00 0.00 C ATOM 808 C PHE A 54 2.377 -8.216 0.168 1.00 0.00 C ATOM 809 O PHE A 54 3.530 -8.586 0.388 1.00 0.00 O ATOM 810 CB PHE A 54 0.353 -9.168 1.288 1.00 0.00 C ATOM 811 CG PHE A 54 0.315 -7.812 1.934 1.00 0.00 C ATOM 812 CD1 PHE A 54 1.392 -7.354 2.677 1.00 0.00 C ATOM 813 CD2 PHE A 54 -0.796 -6.996 1.798 1.00 0.00 C ATOM 814 CE1 PHE A 54 1.359 -6.108 3.273 1.00 0.00 C ATOM 815 CE2 PHE A 54 -0.833 -5.748 2.392 1.00 0.00 C ATOM 816 CZ PHE A 54 0.246 -5.303 3.129 1.00 0.00 C ATOM 0 HA PHE A 54 0.645 -8.972 -0.832 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -0.661 -9.460 1.015 1.00 0.00 H new ATOM 0 HB3 PHE A 54 0.710 -9.898 2.015 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.266 -7.978 2.791 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.643 -7.338 1.222 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.203 -5.764 3.851 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.706 -5.122 2.279 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.220 -4.328 3.592 1.00 0.00 H new ATOM 826 N ALA A 55 2.042 -6.938 0.024 1.00 0.00 N ATOM 827 CA ALA A 55 3.033 -5.873 0.121 1.00 0.00 C ATOM 828 C ALA A 55 2.384 -4.556 0.532 1.00 0.00 C ATOM 829 O ALA A 55 1.205 -4.323 0.266 1.00 0.00 O ATOM 830 CB ALA A 55 3.766 -5.712 -1.202 1.00 0.00 C ATOM 0 H ALA A 55 1.092 -6.615 -0.160 1.00 0.00 H new ATOM 0 HA ALA A 55 3.753 -6.149 0.891 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.503 -4.913 -1.115 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.270 -6.645 -1.455 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.051 -5.462 -1.986 1.00 0.00 H new ATOM 836 N PHE A 56 3.161 -3.697 1.183 1.00 0.00 N ATOM 837 CA PHE A 56 2.661 -2.403 1.633 1.00 0.00 C ATOM 838 C PHE A 56 3.130 -1.286 0.705 1.00 0.00 C ATOM 839 O PHE A 56 4.269 -1.290 0.236 1.00 0.00 O ATOM 840 CB PHE A 56 3.127 -2.121 3.063 1.00 0.00 C ATOM 841 CG PHE A 56 2.172 -2.616 4.112 1.00 0.00 C ATOM 842 CD1 PHE A 56 0.895 -2.088 4.209 1.00 0.00 C ATOM 843 CD2 PHE A 56 2.553 -3.607 5.002 1.00 0.00 C ATOM 844 CE1 PHE A 56 0.014 -2.541 5.173 1.00 0.00 C ATOM 845 CE2 PHE A 56 1.677 -4.064 5.968 1.00 0.00 C ATOM 846 CZ PHE A 56 0.406 -3.530 6.054 1.00 0.00 C ATOM 0 H PHE A 56 4.139 -3.873 1.411 1.00 0.00 H new ATOM 0 HA PHE A 56 1.572 -2.436 1.613 1.00 0.00 H new ATOM 0 HB2 PHE A 56 4.100 -2.588 3.219 1.00 0.00 H new ATOM 0 HB3 PHE A 56 3.266 -1.047 3.187 1.00 0.00 H new ATOM 0 HD1 PHE A 56 0.584 -1.313 3.524 1.00 0.00 H new ATOM 0 HD2 PHE A 56 3.546 -4.027 4.940 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.979 -2.122 5.237 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.986 -4.838 6.655 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.280 -3.885 6.809 1.00 0.00 H new ATOM 856 N VAL A 57 2.243 -0.331 0.442 1.00 0.00 N ATOM 857 CA VAL A 57 2.565 0.792 -0.429 1.00 0.00 C ATOM 858 C VAL A 57 2.325 2.122 0.277 1.00 0.00 C ATOM 859 O VAL A 57 1.183 2.549 0.445 1.00 0.00 O ATOM 860 CB VAL A 57 1.732 0.754 -1.725 1.00 0.00 C ATOM 861 CG1 VAL A 57 2.417 1.553 -2.823 1.00 0.00 C ATOM 862 CG2 VAL A 57 1.500 -0.683 -2.166 1.00 0.00 C ATOM 0 H VAL A 57 1.296 -0.313 0.820 1.00 0.00 H new ATOM 0 HA VAL A 57 3.622 0.704 -0.682 1.00 0.00 H new ATOM 0 HB VAL A 57 0.762 1.211 -1.527 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.815 1.515 -3.731 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.527 2.589 -2.504 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.401 1.128 -3.022 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.910 -0.692 -3.083 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.459 -1.167 -2.347 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.964 -1.221 -1.384 1.00 0.00 H new ATOM 872 N GLU A 58 3.409 2.772 0.688 1.00 0.00 N ATOM 873 CA GLU A 58 3.316 4.054 1.376 1.00 0.00 C ATOM 874 C GLU A 58 3.259 5.205 0.377 1.00 0.00 C ATOM 875 O GLU A 58 4.088 5.298 -0.528 1.00 0.00 O ATOM 876 CB GLU A 58 4.508 4.240 2.318 1.00 0.00 C ATOM 877 CG GLU A 58 4.240 5.213 3.453 1.00 0.00 C ATOM 878 CD GLU A 58 5.499 5.903 3.940 1.00 0.00 C ATOM 879 OE1 GLU A 58 6.376 5.213 4.500 1.00 0.00 O ATOM 880 OE2 GLU A 58 5.608 7.135 3.760 1.00 0.00 O ATOM 0 H GLU A 58 4.362 2.432 0.556 1.00 0.00 H new ATOM 0 HA GLU A 58 2.396 4.058 1.960 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.783 3.272 2.738 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.364 4.593 1.742 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.524 5.965 3.121 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.779 4.678 4.283 1.00 0.00 H new ATOM 887 N TYR A 59 2.273 6.080 0.547 1.00 0.00 N ATOM 888 CA TYR A 59 2.105 7.224 -0.341 1.00 0.00 C ATOM 889 C TYR A 59 2.344 8.533 0.406 1.00 0.00 C ATOM 890 O TYR A 59 1.845 8.728 1.513 1.00 0.00 O ATOM 891 CB TYR A 59 0.702 7.221 -0.950 1.00 0.00 C ATOM 892 CG TYR A 59 0.452 6.062 -1.889 1.00 0.00 C ATOM 893 CD1 TYR A 59 0.095 4.811 -1.401 1.00 0.00 C ATOM 894 CD2 TYR A 59 0.572 6.218 -3.265 1.00 0.00 C ATOM 895 CE1 TYR A 59 -0.133 3.750 -2.255 1.00 0.00 C ATOM 896 CE2 TYR A 59 0.345 5.163 -4.126 1.00 0.00 C ATOM 897 CZ TYR A 59 -0.007 3.930 -3.617 1.00 0.00 C ATOM 898 OH TYR A 59 -0.235 2.876 -4.471 1.00 0.00 O ATOM 0 H TYR A 59 1.579 6.018 1.292 1.00 0.00 H new ATOM 0 HA TYR A 59 2.842 7.143 -1.140 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -0.034 7.192 -0.146 1.00 0.00 H new ATOM 0 HB3 TYR A 59 0.547 8.155 -1.490 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -0.006 4.666 -0.336 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.848 7.181 -3.668 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.409 2.784 -1.859 1.00 0.00 H new ATOM 0 HE2 TYR A 59 0.442 5.302 -5.193 1.00 0.00 H new ATOM 0 HH TYR A 59 0.316 2.981 -5.274 1.00 0.00 H new ATOM 908 N GLU A 60 3.111 9.427 -0.211 1.00 0.00 N ATOM 909 CA GLU A 60 3.417 10.717 0.394 1.00 0.00 C ATOM 910 C GLU A 60 2.139 11.506 0.669 1.00 0.00 C ATOM 911 O GLU A 60 1.940 12.021 1.769 1.00 0.00 O ATOM 912 CB GLU A 60 4.343 11.526 -0.516 1.00 0.00 C ATOM 913 CG GLU A 60 3.813 11.691 -1.931 1.00 0.00 C ATOM 914 CD GLU A 60 4.829 12.319 -2.865 1.00 0.00 C ATOM 915 OE1 GLU A 60 5.066 13.540 -2.749 1.00 0.00 O ATOM 916 OE2 GLU A 60 5.388 11.591 -3.711 1.00 0.00 O ATOM 0 H GLU A 60 3.531 9.281 -1.129 1.00 0.00 H new ATOM 0 HA GLU A 60 3.922 10.534 1.343 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.499 12.512 -0.078 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.317 11.038 -0.556 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.520 10.716 -2.321 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.915 12.308 -1.909 1.00 0.00 H new ATOM 923 N SER A 61 1.278 11.597 -0.340 1.00 0.00 N ATOM 924 CA SER A 61 0.022 12.326 -0.209 1.00 0.00 C ATOM 925 C SER A 61 -1.096 11.402 0.264 1.00 0.00 C ATOM 926 O SER A 61 -1.397 10.394 -0.378 1.00 0.00 O ATOM 927 CB SER A 61 -0.361 12.967 -1.544 1.00 0.00 C ATOM 928 OG SER A 61 -1.727 13.341 -1.557 1.00 0.00 O ATOM 0 H SER A 61 1.427 11.175 -1.257 1.00 0.00 H new ATOM 0 HA SER A 61 0.161 13.110 0.536 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.261 13.844 -1.721 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.165 12.267 -2.356 1.00 0.00 H new ATOM 0 HG SER A 61 -1.946 13.750 -2.420 1.00 0.00 H new ATOM 934 N HIS A 62 -1.708 11.752 1.390 1.00 0.00 N ATOM 935 CA HIS A 62 -2.794 10.955 1.950 1.00 0.00 C ATOM 936 C HIS A 62 -3.830 10.622 0.881 1.00 0.00 C ATOM 937 O HIS A 62 -4.552 9.631 0.990 1.00 0.00 O ATOM 938 CB HIS A 62 -3.459 11.702 3.107 1.00 0.00 C ATOM 939 CG HIS A 62 -4.234 10.811 4.028 1.00 0.00 C ATOM 940 ND1 HIS A 62 -5.232 9.964 3.592 1.00 0.00 N ATOM 941 CD2 HIS A 62 -4.153 10.636 5.368 1.00 0.00 C ATOM 942 CE1 HIS A 62 -5.732 9.309 4.625 1.00 0.00 C ATOM 943 NE2 HIS A 62 -5.094 9.698 5.714 1.00 0.00 N ATOM 0 H HIS A 62 -1.471 12.582 1.933 1.00 0.00 H new ATOM 0 HA HIS A 62 -2.372 10.023 2.325 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.693 12.224 3.680 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -4.127 12.462 2.702 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -5.536 9.860 2.624 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -3.474 11.140 6.040 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -6.527 8.579 4.585 1.00 0.00 H new ATOM 951 N ARG A 63 -3.899 11.457 -0.151 1.00 0.00 N ATOM 952 CA ARG A 63 -4.848 11.253 -1.238 1.00 0.00 C ATOM 953 C ARG A 63 -4.275 10.308 -2.290 1.00 0.00 C ATOM 954 O ARG A 63 -4.963 9.410 -2.773 1.00 0.00 O ATOM 955 CB ARG A 63 -5.213 12.591 -1.883 1.00 0.00 C ATOM 956 CG ARG A 63 -6.209 12.465 -3.025 1.00 0.00 C ATOM 957 CD ARG A 63 -7.583 12.048 -2.523 1.00 0.00 C ATOM 958 NE ARG A 63 -8.287 13.151 -1.875 1.00 0.00 N ATOM 959 CZ ARG A 63 -9.444 13.012 -1.239 1.00 0.00 C ATOM 960 NH1 ARG A 63 -10.025 11.822 -1.165 1.00 0.00 N ATOM 961 NH2 ARG A 63 -10.023 14.064 -0.675 1.00 0.00 N ATOM 0 H ARG A 63 -3.308 12.282 -0.257 1.00 0.00 H new ATOM 0 HA ARG A 63 -5.748 10.801 -0.821 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.628 13.251 -1.121 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -4.305 13.065 -2.255 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.286 13.418 -3.549 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -5.846 11.733 -3.746 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -8.178 11.680 -3.359 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -7.477 11.223 -1.819 1.00 0.00 H new ATOM 0 HE ARG A 63 -7.867 14.080 -1.913 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -9.583 11.011 -1.597 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -10.914 11.718 -0.676 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -9.579 14.981 -0.730 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -10.912 13.956 -0.187 1.00 0.00 H new ATOM 975 N ALA A 64 -3.010 10.518 -2.640 1.00 0.00 N ATOM 976 CA ALA A 64 -2.343 9.685 -3.633 1.00 0.00 C ATOM 977 C ALA A 64 -2.731 8.219 -3.469 1.00 0.00 C ATOM 978 O ALA A 64 -2.832 7.481 -4.449 1.00 0.00 O ATOM 979 CB ALA A 64 -0.834 9.848 -3.532 1.00 0.00 C ATOM 0 H ALA A 64 -2.427 11.258 -2.250 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.667 10.011 -4.621 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.349 9.220 -4.280 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.568 10.891 -3.706 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.502 9.550 -2.537 1.00 0.00 H new ATOM 985 N ALA A 65 -2.947 7.804 -2.225 1.00 0.00 N ATOM 986 CA ALA A 65 -3.324 6.427 -1.934 1.00 0.00 C ATOM 987 C ALA A 65 -4.826 6.223 -2.101 1.00 0.00 C ATOM 988 O ALA A 65 -5.270 5.184 -2.590 1.00 0.00 O ATOM 989 CB ALA A 65 -2.892 6.048 -0.525 1.00 0.00 C ATOM 0 H ALA A 65 -2.867 8.402 -1.403 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.814 5.778 -2.646 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.180 5.017 -0.321 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.810 6.147 -0.437 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.376 6.709 0.194 1.00 0.00 H new ATOM 995 N ALA A 66 -5.604 7.220 -1.692 1.00 0.00 N ATOM 996 CA ALA A 66 -7.056 7.149 -1.798 1.00 0.00 C ATOM 997 C ALA A 66 -7.494 7.016 -3.253 1.00 0.00 C ATOM 998 O ALA A 66 -8.386 6.231 -3.572 1.00 0.00 O ATOM 999 CB ALA A 66 -7.691 8.378 -1.164 1.00 0.00 C ATOM 0 H ALA A 66 -5.253 8.086 -1.284 1.00 0.00 H new ATOM 0 HA ALA A 66 -7.393 6.262 -1.262 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -8.776 8.312 -1.250 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.413 8.429 -0.111 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.340 9.274 -1.676 1.00 0.00 H new ATOM 1005 N MET A 67 -6.861 7.788 -4.130 1.00 0.00 N ATOM 1006 CA MET A 67 -7.186 7.755 -5.551 1.00 0.00 C ATOM 1007 C MET A 67 -6.451 6.617 -6.251 1.00 0.00 C ATOM 1008 O MET A 67 -6.765 6.270 -7.389 1.00 0.00 O ATOM 1009 CB MET A 67 -6.829 9.089 -6.209 1.00 0.00 C ATOM 1010 CG MET A 67 -5.353 9.441 -6.107 1.00 0.00 C ATOM 1011 SD MET A 67 -4.791 10.480 -7.469 1.00 0.00 S ATOM 1012 CE MET A 67 -3.266 11.131 -6.791 1.00 0.00 C ATOM 0 H MET A 67 -6.120 8.444 -3.882 1.00 0.00 H new ATOM 0 HA MET A 67 -8.258 7.585 -5.649 1.00 0.00 H new ATOM 0 HB2 MET A 67 -7.114 9.054 -7.260 1.00 0.00 H new ATOM 0 HB3 MET A 67 -7.416 9.882 -5.746 1.00 0.00 H new ATOM 0 HG2 MET A 67 -5.171 9.955 -5.164 1.00 0.00 H new ATOM 0 HG3 MET A 67 -4.765 8.523 -6.089 1.00 0.00 H new ATOM 0 HE1 MET A 67 -2.872 11.900 -7.455 1.00 0.00 H new ATOM 0 HE2 MET A 67 -3.460 11.564 -5.809 1.00 0.00 H new ATOM 0 HE3 MET A 67 -2.537 10.326 -6.695 1.00 0.00 H new ATOM 1022 N ALA A 68 -5.472 6.040 -5.562 1.00 0.00 N ATOM 1023 CA ALA A 68 -4.693 4.939 -6.118 1.00 0.00 C ATOM 1024 C ALA A 68 -5.405 3.606 -5.915 1.00 0.00 C ATOM 1025 O ALA A 68 -5.442 2.768 -6.815 1.00 0.00 O ATOM 1026 CB ALA A 68 -3.309 4.902 -5.488 1.00 0.00 C ATOM 0 H ALA A 68 -5.199 6.316 -4.619 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.588 5.105 -7.190 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.738 4.076 -5.912 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.793 5.841 -5.689 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.403 4.763 -4.411 1.00 0.00 H new ATOM 1032 N ARG A 69 -5.969 3.417 -4.726 1.00 0.00 N ATOM 1033 CA ARG A 69 -6.678 2.184 -4.405 1.00 0.00 C ATOM 1034 C ARG A 69 -7.924 2.032 -5.272 1.00 0.00 C ATOM 1035 O ARG A 69 -8.279 0.925 -5.677 1.00 0.00 O ATOM 1036 CB ARG A 69 -7.068 2.166 -2.926 1.00 0.00 C ATOM 1037 CG ARG A 69 -7.879 3.377 -2.495 1.00 0.00 C ATOM 1038 CD ARG A 69 -9.373 3.101 -2.564 1.00 0.00 C ATOM 1039 NE ARG A 69 -10.151 4.121 -1.867 1.00 0.00 N ATOM 1040 CZ ARG A 69 -11.452 4.312 -2.059 1.00 0.00 C ATOM 1041 NH1 ARG A 69 -12.116 3.556 -2.921 1.00 0.00 N ATOM 1042 NH2 ARG A 69 -12.091 5.261 -1.386 1.00 0.00 N ATOM 0 H ARG A 69 -5.949 4.101 -3.970 1.00 0.00 H new ATOM 0 HA ARG A 69 -6.010 1.347 -4.608 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -7.643 1.263 -2.722 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.163 2.111 -2.321 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -7.606 3.655 -1.477 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -7.635 4.226 -3.134 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -9.686 3.057 -3.607 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -9.582 2.124 -2.127 1.00 0.00 H new ATOM 0 HE ARG A 69 -9.670 4.720 -1.196 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -11.629 2.825 -3.439 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -13.115 3.705 -3.066 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -11.583 5.844 -0.721 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -13.090 5.407 -1.534 1.00 0.00 H new ATOM 1056 N ARG A 70 -8.584 3.151 -5.553 1.00 0.00 N ATOM 1057 CA ARG A 70 -9.791 3.142 -6.370 1.00 0.00 C ATOM 1058 C ARG A 70 -9.458 2.839 -7.828 1.00 0.00 C ATOM 1059 O ARG A 70 -10.351 2.636 -8.651 1.00 0.00 O ATOM 1060 CB ARG A 70 -10.512 4.487 -6.269 1.00 0.00 C ATOM 1061 CG ARG A 70 -10.068 5.496 -7.315 1.00 0.00 C ATOM 1062 CD ARG A 70 -10.615 6.884 -7.019 1.00 0.00 C ATOM 1063 NE ARG A 70 -10.227 7.854 -8.039 1.00 0.00 N ATOM 1064 CZ ARG A 70 -10.813 7.945 -9.228 1.00 0.00 C ATOM 1065 NH1 ARG A 70 -11.808 7.128 -9.544 1.00 0.00 N ATOM 1066 NH2 ARG A 70 -10.403 8.855 -10.103 1.00 0.00 N ATOM 0 H ARG A 70 -8.303 4.076 -5.227 1.00 0.00 H new ATOM 0 HA ARG A 70 -10.448 2.357 -5.994 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -11.585 4.323 -6.367 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.343 4.906 -5.277 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -8.979 5.532 -7.348 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -10.406 5.173 -8.300 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -11.702 6.839 -6.956 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -10.253 7.216 -6.046 1.00 0.00 H new ATOM 0 HE ARG A 70 -9.464 8.497 -7.827 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -12.125 6.428 -8.874 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -12.256 7.200 -10.457 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -9.638 9.485 -9.863 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -10.853 8.924 -11.016 1.00 0.00 H new ATOM 1080 N LYS A 71 -8.167 2.812 -8.141 1.00 0.00 N ATOM 1081 CA LYS A 71 -7.714 2.534 -9.499 1.00 0.00 C ATOM 1082 C LYS A 71 -7.399 1.052 -9.675 1.00 0.00 C ATOM 1083 O LYS A 71 -7.554 0.498 -10.764 1.00 0.00 O ATOM 1084 CB LYS A 71 -6.477 3.372 -9.828 1.00 0.00 C ATOM 1085 CG LYS A 71 -5.947 3.150 -11.234 1.00 0.00 C ATOM 1086 CD LYS A 71 -4.517 3.642 -11.375 1.00 0.00 C ATOM 1087 CE LYS A 71 -4.056 3.606 -12.824 1.00 0.00 C ATOM 1088 NZ LYS A 71 -4.514 4.804 -13.581 1.00 0.00 N ATOM 0 H LYS A 71 -7.415 2.979 -7.472 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.518 2.800 -10.185 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.720 4.427 -9.703 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.690 3.139 -9.111 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -5.993 2.089 -11.478 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.584 3.670 -11.950 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.442 4.660 -10.993 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.857 3.024 -10.766 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -2.968 3.549 -12.858 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.437 2.705 -13.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -4.180 4.742 -14.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -5.553 4.845 -13.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -4.129 5.663 -13.138 1.00 0.00 H new ATOM 1102 N LEU A 72 -6.956 0.414 -8.597 1.00 0.00 N ATOM 1103 CA LEU A 72 -6.621 -1.005 -8.631 1.00 0.00 C ATOM 1104 C LEU A 72 -7.670 -1.831 -7.895 1.00 0.00 C ATOM 1105 O LEU A 72 -7.535 -3.047 -7.761 1.00 0.00 O ATOM 1106 CB LEU A 72 -5.243 -1.239 -8.009 1.00 0.00 C ATOM 1107 CG LEU A 72 -4.193 -0.160 -8.278 1.00 0.00 C ATOM 1108 CD1 LEU A 72 -2.978 -0.363 -7.386 1.00 0.00 C ATOM 1109 CD2 LEU A 72 -3.787 -0.166 -9.745 1.00 0.00 C ATOM 0 H LEU A 72 -6.821 0.857 -7.688 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.602 -1.323 -9.673 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.365 -1.338 -6.930 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -4.858 -2.191 -8.375 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.630 0.811 -8.046 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.242 0.414 -7.592 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.281 -0.308 -6.340 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.539 -1.341 -7.586 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.039 0.608 -9.919 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.369 -1.139 -10.003 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.662 0.029 -10.365 1.00 0.00 H new ATOM 1121 N MET A 73 -8.717 -1.163 -7.422 1.00 0.00 N ATOM 1122 CA MET A 73 -9.792 -1.837 -6.703 1.00 0.00 C ATOM 1123 C MET A 73 -10.506 -2.837 -7.605 1.00 0.00 C ATOM 1124 O MET A 73 -10.676 -4.008 -7.262 1.00 0.00 O ATOM 1125 CB MET A 73 -10.793 -0.813 -6.163 1.00 0.00 C ATOM 1126 CG MET A 73 -11.367 -1.182 -4.805 1.00 0.00 C ATOM 1127 SD MET A 73 -12.153 -2.804 -4.800 1.00 0.00 S ATOM 1128 CE MET A 73 -10.958 -3.757 -3.866 1.00 0.00 C ATOM 0 H MET A 73 -8.844 -0.156 -7.524 1.00 0.00 H new ATOM 0 HA MET A 73 -9.352 -2.380 -5.867 1.00 0.00 H new ATOM 0 HB2 MET A 73 -10.303 0.158 -6.090 1.00 0.00 H new ATOM 0 HB3 MET A 73 -11.610 -0.705 -6.876 1.00 0.00 H new ATOM 0 HG2 MET A 73 -10.570 -1.167 -4.062 1.00 0.00 H new ATOM 0 HG3 MET A 73 -12.096 -0.429 -4.506 1.00 0.00 H new ATOM 0 HE1 MET A 73 -10.838 -4.739 -4.324 1.00 0.00 H new ATOM 0 HE2 MET A 73 -10.000 -3.238 -3.865 1.00 0.00 H new ATOM 0 HE3 MET A 73 -11.308 -3.875 -2.840 1.00 0.00 H new ATOM 1138 N PRO A 74 -10.936 -2.369 -8.786 1.00 0.00 N ATOM 1139 CA PRO A 74 -11.639 -3.207 -9.762 1.00 0.00 C ATOM 1140 C PRO A 74 -10.724 -4.249 -10.397 1.00 0.00 C ATOM 1141 O PRO A 74 -11.168 -5.080 -11.188 1.00 0.00 O ATOM 1142 CB PRO A 74 -12.117 -2.203 -10.814 1.00 0.00 C ATOM 1143 CG PRO A 74 -11.163 -1.063 -10.709 1.00 0.00 C ATOM 1144 CD PRO A 74 -10.768 -0.985 -9.261 1.00 0.00 C ATOM 0 HA PRO A 74 -12.445 -3.779 -9.302 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -12.104 -2.639 -11.813 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.140 -1.882 -10.619 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -10.291 -1.224 -11.343 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -11.628 -0.133 -11.037 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -9.740 -0.642 -9.143 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -11.401 -0.291 -8.709 1.00 0.00 H new ATOM 1152 N GLY A 75 -9.443 -4.199 -10.045 1.00 0.00 N ATOM 1153 CA GLY A 75 -8.486 -5.144 -10.590 1.00 0.00 C ATOM 1154 C GLY A 75 -8.179 -4.881 -12.051 1.00 0.00 C ATOM 1155 O GLY A 75 -7.793 -5.791 -12.784 1.00 0.00 O ATOM 0 H GLY A 75 -9.051 -3.521 -9.392 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.562 -5.094 -10.013 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.876 -6.156 -10.480 1.00 0.00 H new ATOM 1159 N ARG A 76 -8.352 -3.634 -12.475 1.00 0.00 N ATOM 1160 CA ARG A 76 -8.094 -3.254 -13.859 1.00 0.00 C ATOM 1161 C ARG A 76 -6.610 -3.384 -14.190 1.00 0.00 C ATOM 1162 O ARG A 76 -6.238 -3.594 -15.345 1.00 0.00 O ATOM 1163 CB ARG A 76 -8.560 -1.820 -14.113 1.00 0.00 C ATOM 1164 CG ARG A 76 -10.067 -1.686 -14.258 1.00 0.00 C ATOM 1165 CD ARG A 76 -10.518 -0.244 -14.084 1.00 0.00 C ATOM 1166 NE ARG A 76 -11.971 -0.133 -13.982 1.00 0.00 N ATOM 1167 CZ ARG A 76 -12.603 0.999 -13.693 1.00 0.00 C ATOM 1168 NH1 ARG A 76 -11.913 2.111 -13.478 1.00 0.00 N ATOM 1169 NH2 ARG A 76 -13.927 1.020 -13.619 1.00 0.00 N ATOM 0 H ARG A 76 -8.670 -2.869 -11.880 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.654 -3.930 -14.505 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -8.225 -1.187 -13.291 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -8.082 -1.447 -15.018 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -10.373 -2.048 -15.240 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -10.562 -2.315 -13.518 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -10.059 0.174 -13.188 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -10.168 0.350 -14.928 1.00 0.00 H new ATOM 0 HE ARG A 76 -12.531 -0.971 -14.141 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -10.895 2.098 -13.534 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -12.401 2.979 -13.256 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -14.461 0.167 -13.784 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -14.412 1.890 -13.397 1.00 0.00 H new ATOM 1183 N ILE A 77 -5.768 -3.258 -13.170 1.00 0.00 N ATOM 1184 CA ILE A 77 -4.326 -3.362 -13.353 1.00 0.00 C ATOM 1185 C ILE A 77 -3.780 -4.633 -12.711 1.00 0.00 C ATOM 1186 O ILE A 77 -4.218 -5.032 -11.632 1.00 0.00 O ATOM 1187 CB ILE A 77 -3.594 -2.145 -12.758 1.00 0.00 C ATOM 1188 CG1 ILE A 77 -3.988 -0.869 -13.506 1.00 0.00 C ATOM 1189 CG2 ILE A 77 -2.088 -2.353 -12.813 1.00 0.00 C ATOM 1190 CD1 ILE A 77 -5.184 -0.163 -12.908 1.00 0.00 C ATOM 0 H ILE A 77 -6.060 -3.084 -12.208 1.00 0.00 H new ATOM 0 HA ILE A 77 -4.146 -3.395 -14.428 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.889 -2.038 -11.714 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.139 -0.185 -13.514 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.206 -1.119 -14.544 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.585 -1.484 -12.389 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.822 -3.242 -12.240 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.776 -2.483 -13.849 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -5.406 0.732 -13.489 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -6.046 -0.830 -12.925 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -4.963 0.118 -11.878 1.00 0.00 H new ATOM 1202 N GLN A 78 -2.820 -5.263 -13.380 1.00 0.00 N ATOM 1203 CA GLN A 78 -2.214 -6.488 -12.874 1.00 0.00 C ATOM 1204 C GLN A 78 -0.701 -6.338 -12.753 1.00 0.00 C ATOM 1205 O GLN A 78 -0.063 -5.691 -13.584 1.00 0.00 O ATOM 1206 CB GLN A 78 -2.550 -7.666 -13.791 1.00 0.00 C ATOM 1207 CG GLN A 78 -4.037 -7.967 -13.874 1.00 0.00 C ATOM 1208 CD GLN A 78 -4.334 -9.230 -14.658 1.00 0.00 C ATOM 1209 OE1 GLN A 78 -4.665 -9.176 -15.843 1.00 0.00 O ATOM 1210 NE2 GLN A 78 -4.216 -10.378 -14.000 1.00 0.00 N ATOM 0 H GLN A 78 -2.445 -4.945 -14.274 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.622 -6.681 -11.882 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -2.174 -7.455 -14.792 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -2.027 -8.554 -13.435 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -4.441 -8.066 -12.866 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.549 -7.125 -14.341 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -3.939 -10.377 -13.018 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -4.402 -11.260 -14.476 1.00 0.00 H new ATOM 1219 N LEU A 79 -0.133 -6.938 -11.713 1.00 0.00 N ATOM 1220 CA LEU A 79 1.306 -6.871 -11.483 1.00 0.00 C ATOM 1221 C LEU A 79 1.990 -8.160 -11.929 1.00 0.00 C ATOM 1222 O LEU A 79 1.713 -9.235 -11.398 1.00 0.00 O ATOM 1223 CB LEU A 79 1.594 -6.612 -10.004 1.00 0.00 C ATOM 1224 CG LEU A 79 1.070 -5.291 -9.439 1.00 0.00 C ATOM 1225 CD1 LEU A 79 1.387 -5.182 -7.955 1.00 0.00 C ATOM 1226 CD2 LEU A 79 1.661 -4.114 -10.200 1.00 0.00 C ATOM 0 H LEU A 79 -0.647 -7.476 -11.016 1.00 0.00 H new ATOM 0 HA LEU A 79 1.706 -6.047 -12.074 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.165 -7.428 -9.423 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.673 -6.646 -9.853 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.013 -5.270 -9.561 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.007 -4.236 -7.570 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.915 -6.007 -7.421 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.466 -5.225 -7.809 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.277 -3.182 -9.784 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.747 -4.131 -10.110 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.383 -4.184 -11.252 1.00 0.00 H new ATOM 1238 N TRP A 80 2.884 -8.042 -12.904 1.00 0.00 N ATOM 1239 CA TRP A 80 3.609 -9.198 -13.419 1.00 0.00 C ATOM 1240 C TRP A 80 2.647 -10.234 -13.989 1.00 0.00 C ATOM 1241 O TRP A 80 2.874 -11.438 -13.871 1.00 0.00 O ATOM 1242 CB TRP A 80 4.458 -9.827 -12.313 1.00 0.00 C ATOM 1243 CG TRP A 80 5.269 -8.827 -11.545 1.00 0.00 C ATOM 1244 CD1 TRP A 80 6.429 -8.230 -11.948 1.00 0.00 C ATOM 1245 CD2 TRP A 80 4.980 -8.310 -10.241 1.00 0.00 C ATOM 1246 NE1 TRP A 80 6.879 -7.372 -10.973 1.00 0.00 N ATOM 1247 CE2 TRP A 80 6.008 -7.403 -9.916 1.00 0.00 C ATOM 1248 CE3 TRP A 80 3.953 -8.524 -9.318 1.00 0.00 C ATOM 1249 CZ2 TRP A 80 6.036 -6.713 -8.707 1.00 0.00 C ATOM 1250 CZ3 TRP A 80 3.983 -7.838 -8.118 1.00 0.00 C ATOM 1251 CH2 TRP A 80 5.018 -6.941 -7.822 1.00 0.00 C ATOM 0 H TRP A 80 3.124 -7.158 -13.354 1.00 0.00 H new ATOM 0 HA TRP A 80 4.264 -8.857 -14.221 1.00 0.00 H new ATOM 0 HB2 TRP A 80 3.805 -10.361 -11.623 1.00 0.00 H new ATOM 0 HB3 TRP A 80 5.128 -10.565 -12.754 1.00 0.00 H new ATOM 0 HD1 TRP A 80 6.920 -8.406 -12.893 1.00 0.00 H new ATOM 0 HE1 TRP A 80 7.725 -6.804 -11.028 1.00 0.00 H new ATOM 0 HE3 TRP A 80 3.151 -9.213 -9.538 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 6.833 -6.022 -8.476 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 3.195 -7.996 -7.396 1.00 0.00 H new ATOM 0 HH2 TRP A 80 5.012 -6.419 -6.876 1.00 0.00 H new ATOM 1262 N GLY A 81 1.571 -9.759 -14.609 1.00 0.00 N ATOM 1263 CA GLY A 81 0.591 -10.658 -15.189 1.00 0.00 C ATOM 1264 C GLY A 81 -0.295 -11.304 -14.141 1.00 0.00 C ATOM 1265 O GLY A 81 -1.164 -12.114 -14.466 1.00 0.00 O ATOM 0 H GLY A 81 1.361 -8.767 -14.720 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.030 -10.107 -15.896 1.00 0.00 H new ATOM 0 HA3 GLY A 81 1.105 -11.435 -15.755 1.00 0.00 H new ATOM 1269 N HIS A 82 -0.075 -10.946 -12.880 1.00 0.00 N ATOM 1270 CA HIS A 82 -0.859 -11.497 -11.781 1.00 0.00 C ATOM 1271 C HIS A 82 -1.824 -10.453 -11.226 1.00 0.00 C ATOM 1272 O HIS A 82 -1.470 -9.283 -11.081 1.00 0.00 O ATOM 1273 CB HIS A 82 0.063 -11.998 -10.670 1.00 0.00 C ATOM 1274 CG HIS A 82 0.984 -13.096 -11.105 1.00 0.00 C ATOM 1275 ND1 HIS A 82 1.396 -13.468 -12.340 1.00 0.00 N flip ATOM 1276 CD2 HIS A 82 1.595 -13.961 -10.222 1.00 0.00 C flip ATOM 1277 CE1 HIS A 82 2.241 -14.539 -12.181 1.00 0.00 C flip ATOM 1278 NE2 HIS A 82 2.344 -14.816 -10.894 1.00 0.00 N flip ATOM 0 H HIS A 82 0.640 -10.277 -12.594 1.00 0.00 H new ATOM 0 HA HIS A 82 -1.440 -12.335 -12.166 1.00 0.00 H new ATOM 0 HB2 HIS A 82 0.657 -11.163 -10.298 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -0.545 -12.353 -9.838 1.00 0.00 H new ATOM 0 HD2 HIS A 82 1.479 -13.942 -9.148 1.00 0.00 H new ATOM 0 HE1 HIS A 82 2.740 -15.069 -12.979 1.00 0.00 H new ATOM 0 HE2 HIS A 82 2.907 -15.564 -10.488 1.00 0.00 H new ATOM 1286 N GLN A 83 -3.043 -10.885 -10.918 1.00 0.00 N ATOM 1287 CA GLN A 83 -4.058 -9.987 -10.380 1.00 0.00 C ATOM 1288 C GLN A 83 -3.699 -9.545 -8.966 1.00 0.00 C ATOM 1289 O GLN A 83 -2.989 -10.249 -8.247 1.00 0.00 O ATOM 1290 CB GLN A 83 -5.426 -10.671 -10.383 1.00 0.00 C ATOM 1291 CG GLN A 83 -5.744 -11.401 -9.087 1.00 0.00 C ATOM 1292 CD GLN A 83 -6.803 -12.470 -9.265 1.00 0.00 C ATOM 1293 OE1 GLN A 83 -7.755 -12.298 -10.026 1.00 0.00 O ATOM 1294 NE2 GLN A 83 -6.643 -13.585 -8.561 1.00 0.00 N ATOM 0 H GLN A 83 -3.351 -11.851 -11.032 1.00 0.00 H new ATOM 0 HA GLN A 83 -4.101 -9.103 -11.016 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -6.197 -9.923 -10.567 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -5.466 -11.381 -11.209 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -4.834 -11.858 -8.699 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -6.082 -10.681 -8.342 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -5.839 -13.686 -7.942 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -7.324 -14.340 -8.640 1.00 0.00 H new ATOM 1303 N ILE A 84 -4.194 -8.376 -8.573 1.00 0.00 N ATOM 1304 CA ILE A 84 -3.926 -7.841 -7.244 1.00 0.00 C ATOM 1305 C ILE A 84 -5.139 -7.098 -6.696 1.00 0.00 C ATOM 1306 O ILE A 84 -6.028 -6.699 -7.448 1.00 0.00 O ATOM 1307 CB ILE A 84 -2.716 -6.889 -7.254 1.00 0.00 C ATOM 1308 CG1 ILE A 84 -2.796 -5.940 -8.452 1.00 0.00 C ATOM 1309 CG2 ILE A 84 -1.418 -7.682 -7.285 1.00 0.00 C ATOM 1310 CD1 ILE A 84 -3.573 -4.674 -8.168 1.00 0.00 C ATOM 0 H ILE A 84 -4.783 -7.781 -9.156 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.703 -8.692 -6.600 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.733 -6.294 -6.341 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.786 -5.675 -8.763 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.261 -6.462 -9.289 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.572 -6.995 -7.292 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.360 -8.320 -6.403 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.391 -8.300 -8.182 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.589 -4.049 -9.061 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.594 -4.930 -7.886 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -3.097 -4.130 -7.352 1.00 0.00 H new ATOM 1322 N ALA A 85 -5.168 -6.913 -5.380 1.00 0.00 N ATOM 1323 CA ALA A 85 -6.270 -6.213 -4.731 1.00 0.00 C ATOM 1324 C ALA A 85 -5.756 -5.108 -3.815 1.00 0.00 C ATOM 1325 O ALA A 85 -4.668 -5.214 -3.248 1.00 0.00 O ATOM 1326 CB ALA A 85 -7.129 -7.194 -3.947 1.00 0.00 C ATOM 0 H ALA A 85 -4.441 -7.238 -4.743 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.881 -5.751 -5.506 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.948 -6.658 -3.468 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.535 -7.945 -4.625 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.521 -7.683 -3.186 1.00 0.00 H new ATOM 1332 N VAL A 86 -6.544 -4.047 -3.674 1.00 0.00 N ATOM 1333 CA VAL A 86 -6.168 -2.922 -2.826 1.00 0.00 C ATOM 1334 C VAL A 86 -7.218 -2.670 -1.751 1.00 0.00 C ATOM 1335 O VAL A 86 -8.392 -2.454 -2.053 1.00 0.00 O ATOM 1336 CB VAL A 86 -5.975 -1.637 -3.652 1.00 0.00 C ATOM 1337 CG1 VAL A 86 -4.764 -1.764 -4.565 1.00 0.00 C ATOM 1338 CG2 VAL A 86 -7.229 -1.328 -4.457 1.00 0.00 C ATOM 0 H VAL A 86 -7.447 -3.943 -4.136 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.223 -3.185 -2.351 1.00 0.00 H new ATOM 0 HB VAL A 86 -5.797 -0.809 -2.966 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.644 -0.846 -5.140 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.871 -1.934 -3.963 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.908 -2.603 -5.246 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -7.075 -0.417 -5.035 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.440 -2.156 -5.134 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.072 -1.190 -3.779 1.00 0.00 H new ATOM 1348 N ASP A 87 -6.789 -2.697 -0.494 1.00 0.00 N ATOM 1349 CA ASP A 87 -7.692 -2.469 0.628 1.00 0.00 C ATOM 1350 C ASP A 87 -7.131 -1.409 1.571 1.00 0.00 C ATOM 1351 O ASP A 87 -5.915 -1.262 1.702 1.00 0.00 O ATOM 1352 CB ASP A 87 -7.931 -3.773 1.391 1.00 0.00 C ATOM 1353 CG ASP A 87 -9.100 -4.562 0.836 1.00 0.00 C ATOM 1354 OD1 ASP A 87 -10.257 -4.181 1.110 1.00 0.00 O ATOM 1355 OD2 ASP A 87 -8.858 -5.561 0.126 1.00 0.00 O ATOM 0 H ASP A 87 -5.821 -2.875 -0.226 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.641 -2.110 0.231 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -7.030 -4.385 1.349 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -8.115 -3.548 2.442 1.00 0.00 H new ATOM 1360 N TRP A 88 -8.023 -0.673 2.223 1.00 0.00 N ATOM 1361 CA TRP A 88 -7.616 0.374 3.153 1.00 0.00 C ATOM 1362 C TRP A 88 -6.882 -0.217 4.351 1.00 0.00 C ATOM 1363 O TRP A 88 -7.485 -0.877 5.197 1.00 0.00 O ATOM 1364 CB TRP A 88 -8.836 1.166 3.627 1.00 0.00 C ATOM 1365 CG TRP A 88 -9.211 2.288 2.707 1.00 0.00 C ATOM 1366 CD1 TRP A 88 -10.420 2.484 2.103 1.00 0.00 C ATOM 1367 CD2 TRP A 88 -8.369 3.366 2.283 1.00 0.00 C ATOM 1368 NE1 TRP A 88 -10.381 3.619 1.331 1.00 0.00 N ATOM 1369 CE2 TRP A 88 -9.134 4.179 1.425 1.00 0.00 C ATOM 1370 CE3 TRP A 88 -7.045 3.725 2.547 1.00 0.00 C ATOM 1371 CZ2 TRP A 88 -8.617 5.327 0.829 1.00 0.00 C ATOM 1372 CZ3 TRP A 88 -6.532 4.863 1.956 1.00 0.00 C ATOM 1373 CH2 TRP A 88 -7.317 5.654 1.105 1.00 0.00 C ATOM 0 H TRP A 88 -9.032 -0.782 2.125 1.00 0.00 H new ATOM 0 HA TRP A 88 -6.936 1.046 2.629 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -9.684 0.488 3.726 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -8.634 1.571 4.619 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -11.280 1.841 2.216 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -11.155 3.986 0.777 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -6.433 3.123 3.202 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -9.220 5.937 0.173 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -5.509 5.148 2.153 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -6.887 6.539 0.659 1.00 0.00 H new ATOM 1384 N ALA A 89 -5.576 0.024 4.418 1.00 0.00 N ATOM 1385 CA ALA A 89 -4.760 -0.483 5.514 1.00 0.00 C ATOM 1386 C ALA A 89 -5.464 -0.295 6.854 1.00 0.00 C ATOM 1387 O ALA A 89 -5.660 -1.253 7.601 1.00 0.00 O ATOM 1388 CB ALA A 89 -3.405 0.208 5.526 1.00 0.00 C ATOM 0 H ALA A 89 -5.061 0.568 3.725 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.609 -1.551 5.359 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -2.806 -0.180 6.350 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -2.892 0.019 4.583 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.545 1.281 5.654 1.00 0.00 H new