USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 440 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= -0.147 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 8:sc= 0.674! USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.198 K(o=-0.2,f=-2.3!) USER MOD Single : A 41 SER OG : rot -20:sc= 0.817 USER MOD Single : A 49 HIS : no HD1:sc= -3.09! K(o=-3.1!,f=-0.99) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 58 HIS : no HD1:sc= -0.518 K(o=-0.52,f=-5.6!) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.008) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 81 N PRO A 9 -0.358 11.409 1.372 1.00 0.00 N ATOM 82 CA PRO A 9 -0.373 9.959 1.155 1.00 0.00 C ATOM 83 C PRO A 9 -0.852 9.587 -0.244 1.00 0.00 C ATOM 84 O PRO A 9 -1.487 10.391 -0.927 1.00 0.00 O ATOM 85 CB PRO A 9 -1.358 9.452 2.211 1.00 0.00 C ATOM 86 CG PRO A 9 -2.253 10.612 2.482 1.00 0.00 C ATOM 87 CD PRO A 9 -1.399 11.840 2.320 1.00 0.00 C ATOM 0 HA PRO A 9 0.623 9.524 1.239 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -1.922 8.593 1.846 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.840 9.132 3.115 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -3.094 10.627 1.788 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.670 10.557 3.487 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -1.974 12.681 1.931 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -0.970 12.159 3.270 1.00 0.00 H new ATOM 95 N ILE A 10 -0.546 8.364 -0.663 1.00 0.00 N ATOM 96 CA ILE A 10 -0.948 7.885 -1.980 1.00 0.00 C ATOM 97 C ILE A 10 -1.974 6.763 -1.867 1.00 0.00 C ATOM 98 O ILE A 10 -1.706 5.721 -1.270 1.00 0.00 O ATOM 99 CB ILE A 10 0.261 7.381 -2.789 1.00 0.00 C ATOM 100 CG1 ILE A 10 1.383 8.421 -2.773 1.00 0.00 C ATOM 101 CG2 ILE A 10 -0.153 7.062 -4.218 1.00 0.00 C ATOM 102 CD1 ILE A 10 2.732 7.861 -3.168 1.00 0.00 C ATOM 0 H ILE A 10 -0.021 7.687 -0.110 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.395 8.732 -2.501 1.00 0.00 H new ATOM 0 HB ILE A 10 0.633 6.467 -2.327 1.00 0.00 H new ATOM 0 HG12 ILE A 10 1.123 9.234 -3.451 1.00 0.00 H new ATOM 0 HG13 ILE A 10 1.455 8.850 -1.774 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.713 6.707 -4.777 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -0.922 6.289 -4.210 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.547 7.961 -4.692 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.479 8.654 -3.134 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.013 7.068 -2.476 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.677 7.457 -4.179 1.00 0.00 H new ATOM 114 N GLU A 11 -3.150 6.983 -2.448 1.00 0.00 N ATOM 115 CA GLU A 11 -4.216 5.989 -2.413 1.00 0.00 C ATOM 116 C GLU A 11 -3.942 4.862 -3.405 1.00 0.00 C ATOM 117 O GLU A 11 -3.980 5.066 -4.618 1.00 0.00 O ATOM 118 CB GLU A 11 -5.564 6.642 -2.726 1.00 0.00 C ATOM 119 CG GLU A 11 -6.226 7.282 -1.518 1.00 0.00 C ATOM 120 CD GLU A 11 -7.121 8.448 -1.891 1.00 0.00 C ATOM 121 OE1 GLU A 11 -7.707 8.415 -2.994 1.00 0.00 O ATOM 122 OE2 GLU A 11 -7.235 9.392 -1.083 1.00 0.00 O ATOM 0 H GLU A 11 -3.388 7.840 -2.948 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.250 5.566 -1.409 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.421 7.401 -3.495 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.235 5.890 -3.141 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.815 6.531 -0.991 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.457 7.626 -0.827 1.00 0.00 H new ATOM 129 N ALA A 12 -3.665 3.673 -2.880 1.00 0.00 N ATOM 130 CA ALA A 12 -3.386 2.514 -3.718 1.00 0.00 C ATOM 131 C ALA A 12 -4.461 1.445 -3.552 1.00 0.00 C ATOM 132 O ALA A 12 -5.067 1.321 -2.487 1.00 0.00 O ATOM 133 CB ALA A 12 -2.015 1.942 -3.388 1.00 0.00 C ATOM 0 H ALA A 12 -3.628 3.487 -1.878 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.391 2.839 -4.758 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.820 1.077 -4.021 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.252 2.700 -3.564 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.990 1.639 -2.341 1.00 0.00 H new ATOM 139 N ILE A 13 -4.693 0.677 -4.611 1.00 0.00 N ATOM 140 CA ILE A 13 -5.695 -0.381 -4.582 1.00 0.00 C ATOM 141 C ILE A 13 -5.041 -1.759 -4.624 1.00 0.00 C ATOM 142 O ILE A 13 -4.124 -1.998 -5.409 1.00 0.00 O ATOM 143 CB ILE A 13 -6.680 -0.257 -5.759 1.00 0.00 C ATOM 144 CG1 ILE A 13 -7.406 1.089 -5.704 1.00 0.00 C ATOM 145 CG2 ILE A 13 -7.678 -1.405 -5.738 1.00 0.00 C ATOM 146 CD1 ILE A 13 -8.096 1.350 -4.383 1.00 0.00 C ATOM 0 H ILE A 13 -4.201 0.768 -5.500 1.00 0.00 H new ATOM 0 HA ILE A 13 -6.244 -0.270 -3.647 1.00 0.00 H new ATOM 0 HB ILE A 13 -6.118 -0.308 -6.692 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.689 1.888 -5.894 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -8.145 1.127 -6.504 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -8.367 -1.303 -6.576 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -7.145 -2.352 -5.820 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -8.238 -1.383 -4.803 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -8.589 2.321 -4.416 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -8.837 0.572 -4.200 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -7.359 1.345 -3.580 1.00 0.00 H new ATOM 158 N ALA A 14 -5.521 -2.661 -3.775 1.00 0.00 N ATOM 159 CA ALA A 14 -4.987 -4.016 -3.717 1.00 0.00 C ATOM 160 C ALA A 14 -5.042 -4.686 -5.086 1.00 0.00 C ATOM 161 O ALA A 14 -6.107 -4.798 -5.692 1.00 0.00 O ATOM 162 CB ALA A 14 -5.750 -4.842 -2.692 1.00 0.00 C ATOM 0 H ALA A 14 -6.279 -2.478 -3.118 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.942 -3.955 -3.412 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.340 -5.851 -2.660 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.655 -4.380 -1.709 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.803 -4.887 -2.972 1.00 0.00 H new ATOM 168 N LYS A 15 -3.886 -5.131 -5.569 1.00 0.00 N ATOM 169 CA LYS A 15 -3.802 -5.791 -6.866 1.00 0.00 C ATOM 170 C LYS A 15 -4.212 -7.256 -6.759 1.00 0.00 C ATOM 171 O LYS A 15 -4.827 -7.807 -7.672 1.00 0.00 O ATOM 172 CB LYS A 15 -2.380 -5.687 -7.422 1.00 0.00 C ATOM 173 CG LYS A 15 -2.323 -5.619 -8.939 1.00 0.00 C ATOM 174 CD LYS A 15 -1.030 -4.983 -9.420 1.00 0.00 C ATOM 175 CE LYS A 15 0.057 -6.025 -9.635 1.00 0.00 C ATOM 176 NZ LYS A 15 1.312 -5.418 -10.160 1.00 0.00 N ATOM 0 H LYS A 15 -2.994 -5.046 -5.081 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.490 -5.289 -7.547 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.901 -4.799 -7.009 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -1.803 -6.547 -7.083 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.411 -6.624 -9.353 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.172 -5.045 -9.311 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -1.211 -4.447 -10.352 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.691 -4.248 -8.690 1.00 0.00 H new ATOM 0 HE2 LYS A 15 0.265 -6.532 -8.693 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -0.299 -6.783 -10.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 2.028 -6.161 -10.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 1.119 -4.956 -11.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 1.666 -4.713 -9.483 1.00 0.00 H new ATOM 190 N PHE A 16 -3.868 -7.881 -5.638 1.00 0.00 N ATOM 191 CA PHE A 16 -4.201 -9.283 -5.412 1.00 0.00 C ATOM 192 C PHE A 16 -4.261 -9.593 -3.919 1.00 0.00 C ATOM 193 O PHE A 16 -3.478 -9.061 -3.131 1.00 0.00 O ATOM 194 CB PHE A 16 -3.172 -10.190 -6.091 1.00 0.00 C ATOM 195 CG PHE A 16 -2.925 -9.841 -7.531 1.00 0.00 C ATOM 196 CD1 PHE A 16 -3.910 -10.041 -8.485 1.00 0.00 C ATOM 197 CD2 PHE A 16 -1.708 -9.313 -7.931 1.00 0.00 C ATOM 198 CE1 PHE A 16 -3.684 -9.722 -9.811 1.00 0.00 C ATOM 199 CE2 PHE A 16 -1.477 -8.991 -9.255 1.00 0.00 C ATOM 200 CZ PHE A 16 -2.467 -9.195 -10.196 1.00 0.00 C ATOM 0 H PHE A 16 -3.359 -7.439 -4.872 1.00 0.00 H new ATOM 0 HA PHE A 16 -5.183 -9.472 -5.845 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -2.231 -10.131 -5.544 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.513 -11.223 -6.029 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.865 -10.451 -8.189 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.930 -9.151 -7.199 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.459 -9.885 -10.545 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.524 -8.580 -9.553 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.290 -8.943 -11.231 1.00 0.00 H new ATOM 210 N ASP A 17 -5.195 -10.457 -3.538 1.00 0.00 N ATOM 211 CA ASP A 17 -5.358 -10.840 -2.140 1.00 0.00 C ATOM 212 C ASP A 17 -4.008 -11.139 -1.497 1.00 0.00 C ATOM 213 O ASP A 17 -3.324 -12.090 -1.879 1.00 0.00 O ATOM 214 CB ASP A 17 -6.273 -12.060 -2.026 1.00 0.00 C ATOM 215 CG ASP A 17 -5.911 -13.149 -3.017 1.00 0.00 C ATOM 216 OD1 ASP A 17 -6.295 -13.027 -4.199 1.00 0.00 O ATOM 217 OD2 ASP A 17 -5.244 -14.124 -2.610 1.00 0.00 O ATOM 0 H ASP A 17 -5.851 -10.906 -4.177 1.00 0.00 H new ATOM 0 HA ASP A 17 -5.814 -10.003 -1.611 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -6.216 -12.460 -1.014 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -7.306 -11.753 -2.189 1.00 0.00 H new ATOM 222 N TYR A 18 -3.629 -10.322 -0.521 1.00 0.00 N ATOM 223 CA TYR A 18 -2.358 -10.498 0.172 1.00 0.00 C ATOM 224 C TYR A 18 -2.568 -10.586 1.681 1.00 0.00 C ATOM 225 O TYR A 18 -3.471 -9.956 2.232 1.00 0.00 O ATOM 226 CB TYR A 18 -1.410 -9.343 -0.155 1.00 0.00 C ATOM 227 CG TYR A 18 -0.010 -9.537 0.381 1.00 0.00 C ATOM 228 CD1 TYR A 18 0.334 -9.104 1.655 1.00 0.00 C ATOM 229 CD2 TYR A 18 0.969 -10.156 -0.387 1.00 0.00 C ATOM 230 CE1 TYR A 18 1.612 -9.279 2.149 1.00 0.00 C ATOM 231 CE2 TYR A 18 2.249 -10.337 0.099 1.00 0.00 C ATOM 232 CZ TYR A 18 2.566 -9.896 1.367 1.00 0.00 C ATOM 233 OH TYR A 18 3.840 -10.074 1.855 1.00 0.00 O ATOM 0 H TYR A 18 -4.183 -9.532 -0.192 1.00 0.00 H new ATOM 0 HA TYR A 18 -1.913 -11.432 -0.170 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -1.362 -9.219 -1.237 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.821 -8.420 0.253 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -0.411 -8.622 2.270 1.00 0.00 H new ATOM 0 HD2 TYR A 18 0.725 -10.501 -1.381 1.00 0.00 H new ATOM 0 HE1 TYR A 18 1.863 -8.935 3.142 1.00 0.00 H new ATOM 0 HE2 TYR A 18 2.998 -10.821 -0.510 1.00 0.00 H new ATOM 0 HH TYR A 18 4.389 -10.525 1.180 1.00 0.00 H new ATOM 243 N VAL A 19 -1.727 -11.373 2.344 1.00 0.00 N ATOM 244 CA VAL A 19 -1.817 -11.544 3.789 1.00 0.00 C ATOM 245 C VAL A 19 -0.462 -11.329 4.454 1.00 0.00 C ATOM 246 O VAL A 19 0.464 -12.116 4.267 1.00 0.00 O ATOM 247 CB VAL A 19 -2.341 -12.945 4.157 1.00 0.00 C ATOM 248 CG1 VAL A 19 -1.415 -14.021 3.613 1.00 0.00 C ATOM 249 CG2 VAL A 19 -2.497 -13.076 5.665 1.00 0.00 C ATOM 0 H VAL A 19 -0.975 -11.903 1.903 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.520 -10.794 4.153 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.322 -13.079 3.700 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.801 -15.004 3.883 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.359 -13.938 2.528 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.419 -13.893 4.038 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.868 -14.072 5.907 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.531 -12.922 6.145 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.204 -12.328 6.024 1.00 0.00 H new ATOM 259 N GLY A 20 -0.354 -10.257 5.233 1.00 0.00 N ATOM 260 CA GLY A 20 0.891 -9.958 5.915 1.00 0.00 C ATOM 261 C GLY A 20 1.453 -11.159 6.649 1.00 0.00 C ATOM 262 O GLY A 20 0.940 -11.549 7.698 1.00 0.00 O ATOM 0 H GLY A 20 -1.107 -9.590 5.404 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.623 -9.604 5.189 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.727 -9.147 6.624 1.00 0.00 H new ATOM 266 N ARG A 21 2.509 -11.747 6.097 1.00 0.00 N ATOM 267 CA ARG A 21 3.139 -12.913 6.705 1.00 0.00 C ATOM 268 C ARG A 21 3.537 -12.624 8.149 1.00 0.00 C ATOM 269 O ARG A 21 3.386 -13.473 9.028 1.00 0.00 O ATOM 270 CB ARG A 21 4.370 -13.332 5.899 1.00 0.00 C ATOM 271 CG ARG A 21 4.034 -14.036 4.595 1.00 0.00 C ATOM 272 CD ARG A 21 5.121 -15.024 4.199 1.00 0.00 C ATOM 273 NE ARG A 21 6.226 -14.371 3.503 1.00 0.00 N ATOM 274 CZ ARG A 21 7.391 -14.961 3.259 1.00 0.00 C ATOM 275 NH1 ARG A 21 7.602 -16.209 3.654 1.00 0.00 N ATOM 276 NH2 ARG A 21 8.349 -14.301 2.620 1.00 0.00 N ATOM 0 H ARG A 21 2.946 -11.435 5.230 1.00 0.00 H new ATOM 0 HA ARG A 21 2.416 -13.729 6.702 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.969 -12.448 5.681 1.00 0.00 H new ATOM 0 HB3 ARG A 21 4.986 -13.992 6.510 1.00 0.00 H new ATOM 0 HG2 ARG A 21 3.084 -14.560 4.698 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.906 -13.297 3.804 1.00 0.00 H new ATOM 0 HD2 ARG A 21 5.499 -15.524 5.091 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.694 -15.795 3.558 1.00 0.00 H new ATOM 0 HE ARG A 21 6.096 -13.410 3.187 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.869 -16.719 4.147 1.00 0.00 H new ATOM 0 HH12 ARG A 21 8.498 -16.659 3.465 1.00 0.00 H new ATOM 0 HH21 ARG A 21 8.191 -13.340 2.316 1.00 0.00 H new ATOM 0 HH22 ARG A 21 9.243 -14.755 2.433 1.00 0.00 H new ATOM 290 N THR A 22 4.047 -11.420 8.388 1.00 0.00 N ATOM 291 CA THR A 22 4.468 -11.019 9.724 1.00 0.00 C ATOM 292 C THR A 22 3.653 -9.833 10.225 1.00 0.00 C ATOM 293 O THR A 22 2.943 -9.186 9.456 1.00 0.00 O ATOM 294 CB THR A 22 5.964 -10.651 9.755 1.00 0.00 C ATOM 295 OG1 THR A 22 6.220 -9.569 8.852 1.00 0.00 O ATOM 296 CG2 THR A 22 6.824 -11.847 9.378 1.00 0.00 C ATOM 0 H THR A 22 4.178 -10.705 7.672 1.00 0.00 H new ATOM 0 HA THR A 22 4.299 -11.874 10.379 1.00 0.00 H new ATOM 0 HB THR A 22 6.220 -10.346 10.770 1.00 0.00 H new ATOM 0 HG1 THR A 22 7.172 -9.339 8.878 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.876 -11.562 9.407 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.648 -12.659 10.084 1.00 0.00 H new ATOM 0 HG23 THR A 22 6.565 -12.178 8.372 1.00 0.00 H new ATOM 304 N ALA A 23 3.761 -9.551 11.520 1.00 0.00 N ATOM 305 CA ALA A 23 3.036 -8.439 12.122 1.00 0.00 C ATOM 306 C ALA A 23 3.316 -7.135 11.383 1.00 0.00 C ATOM 307 O ALA A 23 2.407 -6.342 11.137 1.00 0.00 O ATOM 308 CB ALA A 23 3.405 -8.304 13.592 1.00 0.00 C ATOM 0 H ALA A 23 4.343 -10.077 12.171 1.00 0.00 H new ATOM 0 HA ALA A 23 1.969 -8.648 12.043 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.857 -7.470 14.030 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.147 -9.223 14.118 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.476 -8.122 13.683 1.00 0.00 H new ATOM 314 N ARG A 24 4.579 -6.920 11.031 1.00 0.00 N ATOM 315 CA ARG A 24 4.979 -5.711 10.320 1.00 0.00 C ATOM 316 C ARG A 24 4.115 -5.498 9.081 1.00 0.00 C ATOM 317 O ARG A 24 3.533 -4.430 8.895 1.00 0.00 O ATOM 318 CB ARG A 24 6.453 -5.792 9.920 1.00 0.00 C ATOM 319 CG ARG A 24 7.410 -5.405 11.036 1.00 0.00 C ATOM 320 CD ARG A 24 8.703 -4.826 10.484 1.00 0.00 C ATOM 321 NE ARG A 24 9.827 -5.034 11.393 1.00 0.00 N ATOM 322 CZ ARG A 24 9.986 -4.367 12.530 1.00 0.00 C ATOM 323 NH1 ARG A 24 9.098 -3.454 12.897 1.00 0.00 N ATOM 324 NH2 ARG A 24 11.036 -4.613 13.304 1.00 0.00 N ATOM 0 H ARG A 24 5.343 -7.567 11.226 1.00 0.00 H new ATOM 0 HA ARG A 24 4.838 -4.863 10.990 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.677 -6.808 9.597 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.625 -5.140 9.064 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.933 -4.675 11.689 1.00 0.00 H new ATOM 0 HG3 ARG A 24 7.633 -6.281 11.646 1.00 0.00 H new ATOM 0 HD2 ARG A 24 8.925 -5.287 9.522 1.00 0.00 H new ATOM 0 HD3 ARG A 24 8.575 -3.759 10.304 1.00 0.00 H new ATOM 0 HE ARG A 24 10.529 -5.730 11.140 1.00 0.00 H new ATOM 0 HH11 ARG A 24 8.290 -3.262 12.305 1.00 0.00 H new ATOM 0 HH12 ARG A 24 9.223 -2.943 13.771 1.00 0.00 H new ATOM 0 HH21 ARG A 24 11.722 -5.315 13.025 1.00 0.00 H new ATOM 0 HH22 ARG A 24 11.157 -4.100 14.177 1.00 0.00 H new ATOM 338 N GLU A 25 4.038 -6.521 8.236 1.00 0.00 N ATOM 339 CA GLU A 25 3.246 -6.445 7.014 1.00 0.00 C ATOM 340 C GLU A 25 1.762 -6.294 7.336 1.00 0.00 C ATOM 341 O GLU A 25 1.364 -6.300 8.502 1.00 0.00 O ATOM 342 CB GLU A 25 3.470 -7.692 6.156 1.00 0.00 C ATOM 343 CG GLU A 25 4.770 -7.666 5.371 1.00 0.00 C ATOM 344 CD GLU A 25 4.882 -6.453 4.468 1.00 0.00 C ATOM 345 OE1 GLU A 25 3.832 -5.946 4.022 1.00 0.00 O ATOM 346 OE2 GLU A 25 6.021 -6.011 4.208 1.00 0.00 O ATOM 0 H GLU A 25 4.514 -7.412 8.375 1.00 0.00 H new ATOM 0 HA GLU A 25 3.570 -5.567 6.456 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.462 -8.572 6.800 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.638 -7.798 5.460 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.610 -7.676 6.066 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.844 -8.571 4.768 1.00 0.00 H new ATOM 353 N LEU A 26 0.948 -6.159 6.295 1.00 0.00 N ATOM 354 CA LEU A 26 -0.493 -6.007 6.465 1.00 0.00 C ATOM 355 C LEU A 26 -1.253 -6.972 5.561 1.00 0.00 C ATOM 356 O LEU A 26 -0.827 -7.255 4.441 1.00 0.00 O ATOM 357 CB LEU A 26 -0.912 -4.567 6.161 1.00 0.00 C ATOM 358 CG LEU A 26 -0.127 -3.473 6.884 1.00 0.00 C ATOM 359 CD1 LEU A 26 -0.466 -2.105 6.310 1.00 0.00 C ATOM 360 CD2 LEU A 26 -0.409 -3.511 8.378 1.00 0.00 C ATOM 0 H LEU A 26 1.261 -6.152 5.324 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.739 -6.240 7.501 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.821 -4.402 5.087 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.967 -4.456 6.412 1.00 0.00 H new ATOM 0 HG LEU A 26 0.937 -3.655 6.732 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.102 -1.338 6.837 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.211 -2.082 5.250 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.532 -1.914 6.431 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.159 -2.725 8.876 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.474 -3.355 8.551 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.114 -4.481 8.779 1.00 0.00 H new ATOM 372 N SER A 27 -2.382 -7.472 6.054 1.00 0.00 N ATOM 373 CA SER A 27 -3.201 -8.406 5.291 1.00 0.00 C ATOM 374 C SER A 27 -4.407 -7.699 4.682 1.00 0.00 C ATOM 375 O SER A 27 -5.219 -7.107 5.393 1.00 0.00 O ATOM 376 CB SER A 27 -3.669 -9.555 6.187 1.00 0.00 C ATOM 377 OG SER A 27 -4.719 -9.140 7.042 1.00 0.00 O ATOM 0 H SER A 27 -2.750 -7.246 6.978 1.00 0.00 H new ATOM 0 HA SER A 27 -2.591 -8.809 4.482 1.00 0.00 H new ATOM 0 HB2 SER A 27 -4.006 -10.388 5.570 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.832 -9.919 6.784 1.00 0.00 H new ATOM 0 HG SER A 27 -5.003 -8.235 6.796 1.00 0.00 H new ATOM 383 N PHE A 28 -4.518 -7.764 3.359 1.00 0.00 N ATOM 384 CA PHE A 28 -5.623 -7.130 2.651 1.00 0.00 C ATOM 385 C PHE A 28 -6.154 -8.038 1.546 1.00 0.00 C ATOM 386 O PHE A 28 -5.595 -9.101 1.277 1.00 0.00 O ATOM 387 CB PHE A 28 -5.176 -5.792 2.057 1.00 0.00 C ATOM 388 CG PHE A 28 -3.904 -5.884 1.264 1.00 0.00 C ATOM 389 CD1 PHE A 28 -3.905 -6.424 -0.012 1.00 0.00 C ATOM 390 CD2 PHE A 28 -2.707 -5.431 1.795 1.00 0.00 C ATOM 391 CE1 PHE A 28 -2.736 -6.510 -0.744 1.00 0.00 C ATOM 392 CE2 PHE A 28 -1.535 -5.513 1.067 1.00 0.00 C ATOM 393 CZ PHE A 28 -1.549 -6.054 -0.204 1.00 0.00 C ATOM 0 H PHE A 28 -3.855 -8.250 2.755 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.425 -6.952 3.367 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.968 -5.406 1.415 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -5.040 -5.072 2.864 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -4.830 -6.782 -0.439 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -2.690 -5.009 2.789 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -2.750 -6.933 -1.737 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.609 -5.154 1.492 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.634 -6.120 -0.774 1.00 0.00 H new ATOM 403 N LYS A 29 -7.239 -7.611 0.908 1.00 0.00 N ATOM 404 CA LYS A 29 -7.848 -8.383 -0.168 1.00 0.00 C ATOM 405 C LYS A 29 -7.995 -7.536 -1.429 1.00 0.00 C ATOM 406 O LYS A 29 -8.339 -6.356 -1.360 1.00 0.00 O ATOM 407 CB LYS A 29 -9.216 -8.912 0.266 1.00 0.00 C ATOM 408 CG LYS A 29 -9.163 -9.796 1.500 1.00 0.00 C ATOM 409 CD LYS A 29 -8.863 -11.241 1.138 1.00 0.00 C ATOM 410 CE LYS A 29 -10.085 -11.935 0.555 1.00 0.00 C ATOM 411 NZ LYS A 29 -9.709 -13.081 -0.318 1.00 0.00 N ATOM 0 H LYS A 29 -7.715 -6.734 1.118 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.194 -9.226 -0.391 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -9.877 -8.068 0.462 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.655 -9.476 -0.556 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.398 -9.425 2.182 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.115 -9.742 2.028 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.046 -11.275 0.417 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.527 -11.777 2.026 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.722 -12.290 1.365 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.670 -11.217 -0.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.569 -13.527 -0.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.122 -12.739 -1.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.172 -13.778 0.236 1.00 0.00 H new ATOM 425 N LYS A 30 -7.735 -8.147 -2.580 1.00 0.00 N ATOM 426 CA LYS A 30 -7.841 -7.451 -3.857 1.00 0.00 C ATOM 427 C LYS A 30 -9.033 -6.500 -3.861 1.00 0.00 C ATOM 428 O LYS A 30 -10.163 -6.904 -3.587 1.00 0.00 O ATOM 429 CB LYS A 30 -7.974 -8.459 -5.001 1.00 0.00 C ATOM 430 CG LYS A 30 -8.191 -7.813 -6.358 1.00 0.00 C ATOM 431 CD LYS A 30 -8.212 -8.847 -7.471 1.00 0.00 C ATOM 432 CE LYS A 30 -8.875 -8.302 -8.727 1.00 0.00 C ATOM 433 NZ LYS A 30 -10.360 -8.349 -8.635 1.00 0.00 N ATOM 0 H LYS A 30 -7.449 -9.123 -2.655 1.00 0.00 H new ATOM 0 HA LYS A 30 -6.932 -6.866 -4.000 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -7.074 -9.073 -5.040 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -8.808 -9.129 -4.789 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.132 -7.263 -6.354 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.399 -7.089 -6.548 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -7.192 -9.156 -7.701 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.745 -9.736 -7.133 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.554 -7.273 -8.890 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.546 -8.879 -9.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -10.774 -7.969 -9.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.669 -9.334 -8.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -10.676 -7.777 -7.826 1.00 0.00 H new ATOM 447 N GLY A 31 -8.774 -5.234 -4.174 1.00 0.00 N ATOM 448 CA GLY A 31 -9.837 -4.246 -4.210 1.00 0.00 C ATOM 449 C GLY A 31 -9.836 -3.351 -2.987 1.00 0.00 C ATOM 450 O GLY A 31 -10.163 -2.168 -3.076 1.00 0.00 O ATOM 0 H GLY A 31 -7.847 -4.875 -4.403 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.730 -3.633 -5.105 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.799 -4.754 -4.285 1.00 0.00 H new ATOM 454 N ALA A 32 -9.470 -3.916 -1.841 1.00 0.00 N ATOM 455 CA ALA A 32 -9.428 -3.160 -0.595 1.00 0.00 C ATOM 456 C ALA A 32 -8.597 -1.891 -0.751 1.00 0.00 C ATOM 457 O ALA A 32 -7.503 -1.919 -1.314 1.00 0.00 O ATOM 458 CB ALA A 32 -8.871 -4.024 0.527 1.00 0.00 C ATOM 0 H ALA A 32 -9.198 -4.895 -1.750 1.00 0.00 H new ATOM 0 HA ALA A 32 -10.447 -2.867 -0.341 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -8.845 -3.447 1.452 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -9.507 -4.899 0.663 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -7.861 -4.346 0.272 1.00 0.00 H new ATOM 464 N SER A 33 -9.125 -0.779 -0.249 1.00 0.00 N ATOM 465 CA SER A 33 -8.434 0.502 -0.337 1.00 0.00 C ATOM 466 C SER A 33 -7.304 0.581 0.685 1.00 0.00 C ATOM 467 O SER A 33 -7.514 0.362 1.879 1.00 0.00 O ATOM 468 CB SER A 33 -9.418 1.653 -0.115 1.00 0.00 C ATOM 469 OG SER A 33 -8.757 2.905 -0.163 1.00 0.00 O ATOM 0 H SER A 33 -10.029 -0.739 0.223 1.00 0.00 H new ATOM 0 HA SER A 33 -8.005 0.587 -1.335 1.00 0.00 H new ATOM 0 HB2 SER A 33 -10.198 1.621 -0.876 1.00 0.00 H new ATOM 0 HB3 SER A 33 -9.909 1.534 0.851 1.00 0.00 H new ATOM 0 HG SER A 33 -9.407 3.624 -0.020 1.00 0.00 H new ATOM 475 N LEU A 34 -6.104 0.894 0.207 1.00 0.00 N ATOM 476 CA LEU A 34 -4.939 1.002 1.078 1.00 0.00 C ATOM 477 C LEU A 34 -4.257 2.356 0.911 1.00 0.00 C ATOM 478 O LEU A 34 -4.097 2.849 -0.207 1.00 0.00 O ATOM 479 CB LEU A 34 -3.946 -0.122 0.776 1.00 0.00 C ATOM 480 CG LEU A 34 -4.528 -1.535 0.722 1.00 0.00 C ATOM 481 CD1 LEU A 34 -3.736 -2.402 -0.245 1.00 0.00 C ATOM 482 CD2 LEU A 34 -4.543 -2.159 2.110 1.00 0.00 C ATOM 0 H LEU A 34 -5.913 1.077 -0.778 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.279 0.912 2.110 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.468 0.090 -0.181 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.163 -0.102 1.534 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.555 -1.471 0.363 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.165 -3.404 -0.270 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.777 -1.965 -1.243 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.698 -2.460 0.084 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.960 -3.164 2.052 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.525 -2.210 2.497 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.154 -1.550 2.776 1.00 0.00 H new ATOM 494 N LEU A 35 -3.856 2.953 2.028 1.00 0.00 N ATOM 495 CA LEU A 35 -3.189 4.250 2.005 1.00 0.00 C ATOM 496 C LEU A 35 -1.677 4.087 2.121 1.00 0.00 C ATOM 497 O LEU A 35 -1.188 3.263 2.895 1.00 0.00 O ATOM 498 CB LEU A 35 -3.707 5.131 3.143 1.00 0.00 C ATOM 499 CG LEU A 35 -3.715 6.637 2.875 1.00 0.00 C ATOM 500 CD1 LEU A 35 -4.864 7.008 1.949 1.00 0.00 C ATOM 501 CD2 LEU A 35 -3.810 7.411 4.182 1.00 0.00 C ATOM 0 H LEU A 35 -3.981 2.560 2.961 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.412 4.729 1.052 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.724 4.819 3.383 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.098 4.943 4.028 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.779 6.905 2.385 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.854 8.083 1.769 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.752 6.481 1.002 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.810 6.726 2.412 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.814 8.481 3.972 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.730 7.139 4.700 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.954 7.168 4.812 1.00 0.00 H new ATOM 513 N LEU A 36 -0.941 4.878 1.348 1.00 0.00 N ATOM 514 CA LEU A 36 0.517 4.823 1.365 1.00 0.00 C ATOM 515 C LEU A 36 1.104 6.126 1.896 1.00 0.00 C ATOM 516 O LEU A 36 0.625 7.213 1.572 1.00 0.00 O ATOM 517 CB LEU A 36 1.053 4.544 -0.040 1.00 0.00 C ATOM 518 CG LEU A 36 0.492 3.305 -0.739 1.00 0.00 C ATOM 519 CD1 LEU A 36 1.230 3.048 -2.044 1.00 0.00 C ATOM 520 CD2 LEU A 36 0.581 2.092 0.174 1.00 0.00 C ATOM 0 H LEU A 36 -1.330 5.565 0.702 1.00 0.00 H new ATOM 0 HA LEU A 36 0.818 4.013 2.029 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.847 5.413 -0.665 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.137 4.443 0.020 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.558 3.485 -0.969 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.817 2.163 -2.527 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.114 3.908 -2.703 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.288 2.889 -1.838 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.177 1.220 -0.340 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.623 1.909 0.436 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.006 2.277 1.082 1.00 0.00 H new ATOM 532 N TYR A 37 2.146 6.010 2.712 1.00 0.00 N ATOM 533 CA TYR A 37 2.799 7.179 3.289 1.00 0.00 C ATOM 534 C TYR A 37 4.196 7.367 2.704 1.00 0.00 C ATOM 535 O TYR A 37 4.579 8.475 2.329 1.00 0.00 O ATOM 536 CB TYR A 37 2.885 7.043 4.810 1.00 0.00 C ATOM 537 CG TYR A 37 1.536 6.951 5.487 1.00 0.00 C ATOM 538 CD1 TYR A 37 0.503 7.812 5.140 1.00 0.00 C ATOM 539 CD2 TYR A 37 1.296 6.003 6.474 1.00 0.00 C ATOM 540 CE1 TYR A 37 -0.731 7.732 5.757 1.00 0.00 C ATOM 541 CE2 TYR A 37 0.065 5.914 7.094 1.00 0.00 C ATOM 542 CZ TYR A 37 -0.945 6.781 6.733 1.00 0.00 C ATOM 543 OH TYR A 37 -2.172 6.697 7.349 1.00 0.00 O ATOM 0 H TYR A 37 2.556 5.118 2.989 1.00 0.00 H new ATOM 0 HA TYR A 37 2.200 8.056 3.043 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.466 6.154 5.055 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.427 7.899 5.213 1.00 0.00 H new ATOM 0 HD1 TYR A 37 0.667 8.557 4.375 1.00 0.00 H new ATOM 0 HD2 TYR A 37 2.085 5.324 6.761 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -1.523 8.410 5.477 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.106 5.169 7.857 1.00 0.00 H new ATOM 0 HH TYR A 37 -2.157 5.974 8.011 1.00 0.00 H new ATOM 553 N GLN A 38 4.950 6.276 2.630 1.00 0.00 N ATOM 554 CA GLN A 38 6.305 6.319 2.091 1.00 0.00 C ATOM 555 C GLN A 38 6.725 4.951 1.563 1.00 0.00 C ATOM 556 O GLN A 38 6.272 3.919 2.058 1.00 0.00 O ATOM 557 CB GLN A 38 7.288 6.789 3.164 1.00 0.00 C ATOM 558 CG GLN A 38 8.518 7.482 2.600 1.00 0.00 C ATOM 559 CD GLN A 38 9.727 7.353 3.505 1.00 0.00 C ATOM 560 OE1 GLN A 38 9.755 6.516 4.408 1.00 0.00 O ATOM 561 NE2 GLN A 38 10.736 8.183 3.268 1.00 0.00 N ATOM 0 H GLN A 38 4.647 5.351 2.936 1.00 0.00 H new ATOM 0 HA GLN A 38 6.317 7.027 1.262 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.775 7.472 3.841 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.604 5.930 3.756 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.753 7.059 1.623 1.00 0.00 H new ATOM 0 HG3 GLN A 38 8.296 8.538 2.445 1.00 0.00 H new ATOM 0 HE21 GLN A 38 10.671 8.861 2.509 1.00 0.00 H new ATOM 0 HE22 GLN A 38 11.576 8.142 3.845 1.00 0.00 H new ATOM 570 N ARG A 39 7.592 4.952 0.556 1.00 0.00 N ATOM 571 CA ARG A 39 8.071 3.711 -0.040 1.00 0.00 C ATOM 572 C ARG A 39 9.196 3.106 0.795 1.00 0.00 C ATOM 573 O ARG A 39 10.345 3.537 0.712 1.00 0.00 O ATOM 574 CB ARG A 39 8.560 3.961 -1.468 1.00 0.00 C ATOM 575 CG ARG A 39 9.099 2.717 -2.154 1.00 0.00 C ATOM 576 CD ARG A 39 8.002 1.969 -2.896 1.00 0.00 C ATOM 577 NE ARG A 39 8.543 1.052 -3.894 1.00 0.00 N ATOM 578 CZ ARG A 39 8.944 1.433 -5.102 1.00 0.00 C ATOM 579 NH1 ARG A 39 8.866 2.707 -5.458 1.00 0.00 N ATOM 580 NH2 ARG A 39 9.426 0.538 -5.955 1.00 0.00 N ATOM 0 H ARG A 39 7.977 5.798 0.136 1.00 0.00 H new ATOM 0 HA ARG A 39 7.240 3.006 -0.066 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.738 4.364 -2.059 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.341 4.721 -1.448 1.00 0.00 H new ATOM 0 HG2 ARG A 39 9.886 2.998 -2.854 1.00 0.00 H new ATOM 0 HG3 ARG A 39 9.552 2.059 -1.413 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.397 1.411 -2.182 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.340 2.685 -3.383 1.00 0.00 H new ATOM 0 HE ARG A 39 8.617 0.064 -3.651 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.497 3.398 -4.804 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.175 2.997 -6.386 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.489 -0.443 -5.683 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.734 0.831 -6.882 1.00 0.00 H new ATOM 594 N ALA A 40 8.855 2.105 1.601 1.00 0.00 N ATOM 595 CA ALA A 40 9.836 1.440 2.450 1.00 0.00 C ATOM 596 C ALA A 40 10.995 0.892 1.624 1.00 0.00 C ATOM 597 O ALA A 40 12.156 0.995 2.022 1.00 0.00 O ATOM 598 CB ALA A 40 9.176 0.322 3.243 1.00 0.00 C ATOM 0 H ALA A 40 7.907 1.737 1.684 1.00 0.00 H new ATOM 0 HA ALA A 40 10.237 2.177 3.146 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.920 -0.166 3.873 1.00 0.00 H new ATOM 0 HB2 ALA A 40 8.387 0.737 3.870 1.00 0.00 H new ATOM 0 HB3 ALA A 40 8.748 -0.408 2.556 1.00 0.00 H new ATOM 604 N SER A 41 10.673 0.310 0.474 1.00 0.00 N ATOM 605 CA SER A 41 11.688 -0.259 -0.405 1.00 0.00 C ATOM 606 C SER A 41 11.162 -0.385 -1.832 1.00 0.00 C ATOM 607 O SER A 41 10.012 -0.047 -2.113 1.00 0.00 O ATOM 608 CB SER A 41 12.131 -1.629 0.110 1.00 0.00 C ATOM 609 OG SER A 41 12.610 -1.543 1.441 1.00 0.00 O ATOM 0 H SER A 41 9.717 0.220 0.129 1.00 0.00 H new ATOM 0 HA SER A 41 12.546 0.413 -0.410 1.00 0.00 H new ATOM 0 HB2 SER A 41 11.294 -2.326 0.066 1.00 0.00 H new ATOM 0 HB3 SER A 41 12.913 -2.029 -0.536 1.00 0.00 H new ATOM 0 HG SER A 41 12.855 -0.615 1.641 1.00 0.00 H new ATOM 615 N ASP A 42 12.012 -0.874 -2.728 1.00 0.00 N ATOM 616 CA ASP A 42 11.634 -1.046 -4.126 1.00 0.00 C ATOM 617 C ASP A 42 10.599 -2.157 -4.276 1.00 0.00 C ATOM 618 O ASP A 42 9.957 -2.284 -5.318 1.00 0.00 O ATOM 619 CB ASP A 42 12.867 -1.363 -4.974 1.00 0.00 C ATOM 620 CG ASP A 42 13.966 -0.334 -4.804 1.00 0.00 C ATOM 621 OD1 ASP A 42 13.643 0.868 -4.703 1.00 0.00 O ATOM 622 OD2 ASP A 42 15.151 -0.730 -4.774 1.00 0.00 O ATOM 0 H ASP A 42 12.967 -1.158 -2.511 1.00 0.00 H new ATOM 0 HA ASP A 42 11.192 -0.113 -4.475 1.00 0.00 H new ATOM 0 HB2 ASP A 42 13.249 -2.347 -4.701 1.00 0.00 H new ATOM 0 HB3 ASP A 42 12.579 -1.413 -6.024 1.00 0.00 H new ATOM 627 N ASP A 43 10.443 -2.959 -3.228 1.00 0.00 N ATOM 628 CA ASP A 43 9.486 -4.059 -3.242 1.00 0.00 C ATOM 629 C ASP A 43 8.605 -4.029 -1.998 1.00 0.00 C ATOM 630 O ASP A 43 8.027 -5.045 -1.610 1.00 0.00 O ATOM 631 CB ASP A 43 10.219 -5.399 -3.332 1.00 0.00 C ATOM 632 CG ASP A 43 10.513 -5.803 -4.763 1.00 0.00 C ATOM 633 OD1 ASP A 43 9.565 -6.194 -5.476 1.00 0.00 O ATOM 634 OD2 ASP A 43 11.692 -5.729 -5.170 1.00 0.00 O ATOM 0 H ASP A 43 10.967 -2.868 -2.358 1.00 0.00 H new ATOM 0 HA ASP A 43 8.849 -3.943 -4.119 1.00 0.00 H new ATOM 0 HB2 ASP A 43 11.154 -5.336 -2.776 1.00 0.00 H new ATOM 0 HB3 ASP A 43 9.616 -6.172 -2.856 1.00 0.00 H new ATOM 639 N TRP A 44 8.508 -2.860 -1.376 1.00 0.00 N ATOM 640 CA TRP A 44 7.698 -2.698 -0.174 1.00 0.00 C ATOM 641 C TRP A 44 7.236 -1.253 -0.019 1.00 0.00 C ATOM 642 O TRP A 44 7.789 -0.346 -0.640 1.00 0.00 O ATOM 643 CB TRP A 44 8.490 -3.129 1.061 1.00 0.00 C ATOM 644 CG TRP A 44 8.708 -4.610 1.140 1.00 0.00 C ATOM 645 CD1 TRP A 44 9.895 -5.272 0.999 1.00 0.00 C ATOM 646 CD2 TRP A 44 7.713 -5.612 1.376 1.00 0.00 C ATOM 647 NE1 TRP A 44 9.697 -6.625 1.133 1.00 0.00 N ATOM 648 CE2 TRP A 44 8.367 -6.859 1.366 1.00 0.00 C ATOM 649 CE3 TRP A 44 6.334 -5.576 1.597 1.00 0.00 C ATOM 650 CZ2 TRP A 44 7.688 -8.057 1.567 1.00 0.00 C ATOM 651 CZ3 TRP A 44 5.661 -6.767 1.797 1.00 0.00 C ATOM 652 CH2 TRP A 44 6.337 -7.993 1.781 1.00 0.00 C ATOM 0 H TRP A 44 8.980 -2.010 -1.684 1.00 0.00 H new ATOM 0 HA TRP A 44 6.817 -3.332 -0.271 1.00 0.00 H new ATOM 0 HB2 TRP A 44 9.457 -2.626 1.057 1.00 0.00 H new ATOM 0 HB3 TRP A 44 7.962 -2.798 1.956 1.00 0.00 H new ATOM 0 HD1 TRP A 44 10.848 -4.801 0.810 1.00 0.00 H new ATOM 0 HE1 TRP A 44 10.422 -7.339 1.069 1.00 0.00 H new ATOM 0 HE3 TRP A 44 5.804 -4.635 1.611 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 8.208 -9.003 1.555 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 4.595 -6.751 1.969 1.00 0.00 H new ATOM 0 HH2 TRP A 44 5.782 -8.906 1.941 1.00 0.00 H new ATOM 663 N TRP A 45 6.221 -1.047 0.813 1.00 0.00 N ATOM 664 CA TRP A 45 5.686 0.289 1.049 1.00 0.00 C ATOM 665 C TRP A 45 5.376 0.497 2.527 1.00 0.00 C ATOM 666 O TRP A 45 5.328 -0.458 3.301 1.00 0.00 O ATOM 667 CB TRP A 45 4.424 0.510 0.214 1.00 0.00 C ATOM 668 CG TRP A 45 4.711 0.862 -1.214 1.00 0.00 C ATOM 669 CD1 TRP A 45 5.010 -0.003 -2.227 1.00 0.00 C ATOM 670 CD2 TRP A 45 4.727 2.174 -1.787 1.00 0.00 C ATOM 671 NE1 TRP A 45 5.211 0.692 -3.395 1.00 0.00 N ATOM 672 CE2 TRP A 45 5.043 2.029 -3.152 1.00 0.00 C ATOM 673 CE3 TRP A 45 4.505 3.457 -1.280 1.00 0.00 C ATOM 674 CZ2 TRP A 45 5.142 3.119 -4.013 1.00 0.00 C ATOM 675 CZ3 TRP A 45 4.603 4.538 -2.135 1.00 0.00 C ATOM 676 CH2 TRP A 45 4.919 4.364 -3.489 1.00 0.00 C ATOM 0 H TRP A 45 5.752 -1.788 1.335 1.00 0.00 H new ATOM 0 HA TRP A 45 6.442 1.015 0.750 1.00 0.00 H new ATOM 0 HB2 TRP A 45 3.815 -0.394 0.243 1.00 0.00 H new ATOM 0 HB3 TRP A 45 3.833 1.307 0.666 1.00 0.00 H new ATOM 0 HD1 TRP A 45 5.078 -1.076 -2.125 1.00 0.00 H new ATOM 0 HE1 TRP A 45 5.447 0.279 -4.297 1.00 0.00 H new ATOM 0 HE3 TRP A 45 4.261 3.601 -0.238 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 5.386 2.987 -5.057 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 4.433 5.534 -1.753 1.00 0.00 H new ATOM 0 HH2 TRP A 45 4.988 5.229 -4.132 1.00 0.00 H new ATOM 687 N GLU A 46 5.167 1.753 2.912 1.00 0.00 N ATOM 688 CA GLU A 46 4.862 2.084 4.299 1.00 0.00 C ATOM 689 C GLU A 46 3.576 2.901 4.393 1.00 0.00 C ATOM 690 O GLU A 46 3.567 4.100 4.117 1.00 0.00 O ATOM 691 CB GLU A 46 6.020 2.863 4.927 1.00 0.00 C ATOM 692 CG GLU A 46 7.316 2.073 4.997 1.00 0.00 C ATOM 693 CD GLU A 46 8.182 2.477 6.174 1.00 0.00 C ATOM 694 OE1 GLU A 46 7.963 1.945 7.283 1.00 0.00 O ATOM 695 OE2 GLU A 46 9.080 3.325 5.987 1.00 0.00 O ATOM 0 H GLU A 46 5.203 2.556 2.284 1.00 0.00 H new ATOM 0 HA GLU A 46 4.721 1.152 4.846 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.189 3.773 4.351 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.737 3.171 5.934 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.086 1.010 5.068 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.875 2.217 4.073 1.00 0.00 H new ATOM 702 N GLY A 47 2.490 2.241 4.784 1.00 0.00 N ATOM 703 CA GLY A 47 1.213 2.920 4.907 1.00 0.00 C ATOM 704 C GLY A 47 0.355 2.345 6.016 1.00 0.00 C ATOM 705 O GLY A 47 0.870 1.761 6.969 1.00 0.00 O ATOM 0 H GLY A 47 2.472 1.248 5.018 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.385 3.979 5.097 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.675 2.849 3.962 1.00 0.00 H new ATOM 709 N ARG A 48 -0.958 2.512 5.893 1.00 0.00 N ATOM 710 CA ARG A 48 -1.889 2.008 6.895 1.00 0.00 C ATOM 711 C ARG A 48 -3.030 1.237 6.238 1.00 0.00 C ATOM 712 O ARG A 48 -3.420 1.528 5.106 1.00 0.00 O ATOM 713 CB ARG A 48 -2.452 3.162 7.726 1.00 0.00 C ATOM 714 CG ARG A 48 -3.519 2.734 8.720 1.00 0.00 C ATOM 715 CD ARG A 48 -4.024 3.912 9.539 1.00 0.00 C ATOM 716 NE ARG A 48 -3.164 4.189 10.686 1.00 0.00 N ATOM 717 CZ ARG A 48 -3.495 5.020 11.669 1.00 0.00 C ATOM 718 NH1 ARG A 48 -4.661 5.651 11.643 1.00 0.00 N ATOM 719 NH2 ARG A 48 -2.659 5.221 12.679 1.00 0.00 N ATOM 0 H ARG A 48 -1.401 2.992 5.110 1.00 0.00 H new ATOM 0 HA ARG A 48 -1.344 1.329 7.551 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -1.636 3.641 8.266 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -2.873 3.911 7.054 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -4.352 2.277 8.186 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -3.112 1.974 9.387 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -4.079 4.797 8.905 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -5.036 3.705 9.886 1.00 0.00 H new ATOM 0 HE ARG A 48 -2.260 3.719 10.736 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -5.306 5.499 10.868 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -4.913 6.288 12.398 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -1.761 4.738 12.702 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -2.914 5.859 13.433 1.00 0.00 H new ATOM 733 N HIS A 49 -3.561 0.251 6.954 1.00 0.00 N ATOM 734 CA HIS A 49 -4.657 -0.563 6.440 1.00 0.00 C ATOM 735 C HIS A 49 -5.670 -0.867 7.540 1.00 0.00 C ATOM 736 O HIS A 49 -5.304 -1.310 8.628 1.00 0.00 O ATOM 737 CB HIS A 49 -4.120 -1.867 5.850 1.00 0.00 C ATOM 738 CG HIS A 49 -5.167 -2.923 5.677 1.00 0.00 C ATOM 739 ND1 HIS A 49 -5.229 -4.058 6.458 1.00 0.00 N ATOM 740 CD2 HIS A 49 -6.200 -3.011 4.807 1.00 0.00 C ATOM 741 CE1 HIS A 49 -6.253 -4.799 6.075 1.00 0.00 C ATOM 742 NE2 HIS A 49 -6.859 -4.186 5.074 1.00 0.00 N ATOM 0 H HIS A 49 -3.250 -0.004 7.892 1.00 0.00 H new ATOM 0 HA HIS A 49 -5.159 0.002 5.654 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -3.664 -1.657 4.882 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -3.332 -2.251 6.497 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -6.458 -2.291 4.044 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -6.545 -5.745 6.507 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -7.682 -4.529 4.580 1.00 0.00 H new ATOM 751 N ASN A 50 -6.944 -0.626 7.248 1.00 0.00 N ATOM 752 CA ASN A 50 -8.009 -0.873 8.213 1.00 0.00 C ATOM 753 C ASN A 50 -7.591 -0.427 9.611 1.00 0.00 C ATOM 754 O ASN A 50 -7.987 -1.027 10.609 1.00 0.00 O ATOM 755 CB ASN A 50 -8.377 -2.358 8.228 1.00 0.00 C ATOM 756 CG ASN A 50 -9.403 -2.710 7.168 1.00 0.00 C ATOM 757 OD1 ASN A 50 -9.275 -2.316 6.009 1.00 0.00 O ATOM 758 ND2 ASN A 50 -10.429 -3.456 7.562 1.00 0.00 N ATOM 0 H ASN A 50 -7.264 -0.260 6.351 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.881 -0.292 7.911 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -7.478 -2.954 8.072 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -8.768 -2.623 9.210 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -11.151 -3.724 6.893 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -10.495 -3.760 8.533 1.00 0.00 H new ATOM 765 N GLY A 51 -6.788 0.631 9.673 1.00 0.00 N ATOM 766 CA GLY A 51 -6.330 1.140 10.953 1.00 0.00 C ATOM 767 C GLY A 51 -5.131 0.379 11.484 1.00 0.00 C ATOM 768 O GLY A 51 -4.994 0.191 12.693 1.00 0.00 O ATOM 0 H GLY A 51 -6.447 1.144 8.860 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.071 2.194 10.850 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.143 1.081 11.676 1.00 0.00 H new ATOM 772 N ILE A 52 -4.264 -0.062 10.579 1.00 0.00 N ATOM 773 CA ILE A 52 -3.072 -0.808 10.964 1.00 0.00 C ATOM 774 C ILE A 52 -1.854 -0.345 10.172 1.00 0.00 C ATOM 775 O ILE A 52 -1.806 -0.485 8.950 1.00 0.00 O ATOM 776 CB ILE A 52 -3.262 -2.321 10.754 1.00 0.00 C ATOM 777 CG1 ILE A 52 -4.445 -2.829 11.581 1.00 0.00 C ATOM 778 CG2 ILE A 52 -1.991 -3.071 11.122 1.00 0.00 C ATOM 779 CD1 ILE A 52 -4.808 -4.269 11.297 1.00 0.00 C ATOM 0 H ILE A 52 -4.364 0.084 9.575 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.908 -0.615 12.024 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.475 -2.502 9.700 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.209 -2.725 12.640 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.312 -2.199 11.384 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.142 -4.140 10.968 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.170 -2.726 10.493 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.749 -2.886 12.169 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.654 -4.560 11.919 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.076 -4.376 10.246 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.955 -4.910 11.521 1.00 0.00 H new ATOM 791 N ASP A 53 -0.872 0.206 10.876 1.00 0.00 N ATOM 792 CA ASP A 53 0.349 0.688 10.239 1.00 0.00 C ATOM 793 C ASP A 53 1.352 -0.448 10.059 1.00 0.00 C ATOM 794 O ASP A 53 1.705 -1.135 11.016 1.00 0.00 O ATOM 795 CB ASP A 53 0.974 1.810 11.069 1.00 0.00 C ATOM 796 CG ASP A 53 1.640 1.296 12.330 1.00 0.00 C ATOM 797 OD1 ASP A 53 1.029 0.456 13.023 1.00 0.00 O ATOM 798 OD2 ASP A 53 2.771 1.735 12.626 1.00 0.00 O ATOM 0 H ASP A 53 -0.897 0.330 11.888 1.00 0.00 H new ATOM 0 HA ASP A 53 0.087 1.077 9.255 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.709 2.339 10.463 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.203 2.532 11.337 1.00 0.00 H new ATOM 803 N GLY A 54 1.807 -0.639 8.824 1.00 0.00 N ATOM 804 CA GLY A 54 2.763 -1.692 8.541 1.00 0.00 C ATOM 805 C GLY A 54 3.391 -1.552 7.168 1.00 0.00 C ATOM 806 O GLY A 54 3.579 -0.439 6.674 1.00 0.00 O ATOM 0 H GLY A 54 1.530 -0.083 8.015 1.00 0.00 H new ATOM 0 HA2 GLY A 54 3.547 -1.680 9.298 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.265 -2.659 8.613 1.00 0.00 H new ATOM 810 N LEU A 55 3.718 -2.682 6.551 1.00 0.00 N ATOM 811 CA LEU A 55 4.330 -2.680 5.227 1.00 0.00 C ATOM 812 C LEU A 55 3.344 -3.168 4.170 1.00 0.00 C ATOM 813 O LEU A 55 2.432 -3.940 4.468 1.00 0.00 O ATOM 814 CB LEU A 55 5.580 -3.562 5.220 1.00 0.00 C ATOM 815 CG LEU A 55 6.813 -2.983 5.915 1.00 0.00 C ATOM 816 CD1 LEU A 55 7.882 -4.052 6.084 1.00 0.00 C ATOM 817 CD2 LEU A 55 7.360 -1.799 5.133 1.00 0.00 C ATOM 0 H LEU A 55 3.570 -3.611 6.946 1.00 0.00 H new ATOM 0 HA LEU A 55 4.614 -1.655 4.987 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.333 -4.512 5.694 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.840 -3.781 4.184 1.00 0.00 H new ATOM 0 HG LEU A 55 6.518 -2.634 6.904 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.752 -3.622 6.580 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.487 -4.869 6.688 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.174 -4.432 5.105 1.00 0.00 H new ATOM 0 HD21 LEU A 55 8.237 -1.400 5.643 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.639 -2.123 4.130 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.596 -1.024 5.065 1.00 0.00 H new ATOM 829 N ILE A 56 3.535 -2.715 2.936 1.00 0.00 N ATOM 830 CA ILE A 56 2.664 -3.108 1.835 1.00 0.00 C ATOM 831 C ILE A 56 3.476 -3.480 0.598 1.00 0.00 C ATOM 832 O ILE A 56 4.342 -2.731 0.146 1.00 0.00 O ATOM 833 CB ILE A 56 1.677 -1.985 1.469 1.00 0.00 C ATOM 834 CG1 ILE A 56 0.731 -1.706 2.639 1.00 0.00 C ATOM 835 CG2 ILE A 56 0.890 -2.357 0.221 1.00 0.00 C ATOM 836 CD1 ILE A 56 0.045 -0.360 2.553 1.00 0.00 C ATOM 0 H ILE A 56 4.285 -2.076 2.673 1.00 0.00 H new ATOM 0 HA ILE A 56 2.101 -3.978 2.173 1.00 0.00 H new ATOM 0 HB ILE A 56 2.243 -1.077 1.260 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.026 -2.489 2.678 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.293 -1.759 3.571 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.196 -1.553 -0.025 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.578 -2.510 -0.611 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.331 -3.275 0.403 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.610 -0.230 3.414 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.795 0.431 2.545 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.545 -0.310 1.638 1.00 0.00 H new ATOM 848 N PRO A 57 3.189 -4.664 0.036 1.00 0.00 N ATOM 849 CA PRO A 57 3.879 -5.161 -1.157 1.00 0.00 C ATOM 850 C PRO A 57 3.517 -4.368 -2.409 1.00 0.00 C ATOM 851 O PRO A 57 2.377 -3.930 -2.570 1.00 0.00 O ATOM 852 CB PRO A 57 3.384 -6.605 -1.277 1.00 0.00 C ATOM 853 CG PRO A 57 2.061 -6.610 -0.593 1.00 0.00 C ATOM 854 CD PRO A 57 2.168 -5.607 0.523 1.00 0.00 C ATOM 0 HA PRO A 57 4.962 -5.073 -1.068 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.291 -6.906 -2.320 1.00 0.00 H new ATOM 0 HB3 PRO A 57 4.077 -7.301 -0.804 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.263 -6.340 -1.285 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.826 -7.601 -0.206 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.216 -5.109 0.708 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.469 -6.078 1.459 1.00 0.00 H new ATOM 862 N HIS A 58 4.493 -4.188 -3.293 1.00 0.00 N ATOM 863 CA HIS A 58 4.276 -3.449 -4.531 1.00 0.00 C ATOM 864 C HIS A 58 3.823 -4.383 -5.650 1.00 0.00 C ATOM 865 O HIS A 58 3.532 -3.940 -6.760 1.00 0.00 O ATOM 866 CB HIS A 58 5.555 -2.720 -4.946 1.00 0.00 C ATOM 867 CG HIS A 58 5.389 -1.866 -6.165 1.00 0.00 C ATOM 868 ND1 HIS A 58 5.056 -0.529 -6.108 1.00 0.00 N ATOM 869 CD2 HIS A 58 5.515 -2.165 -7.479 1.00 0.00 C ATOM 870 CE1 HIS A 58 4.982 -0.044 -7.334 1.00 0.00 C ATOM 871 NE2 HIS A 58 5.256 -1.016 -8.185 1.00 0.00 N ATOM 0 H HIS A 58 5.442 -4.544 -3.175 1.00 0.00 H new ATOM 0 HA HIS A 58 3.490 -2.715 -4.354 1.00 0.00 H new ATOM 0 HB2 HIS A 58 5.892 -2.096 -4.118 1.00 0.00 H new ATOM 0 HB3 HIS A 58 6.338 -3.455 -5.131 1.00 0.00 H new ATOM 0 HD2 HIS A 58 5.772 -3.128 -7.895 1.00 0.00 H new ATOM 0 HE1 HIS A 58 4.739 0.975 -7.596 1.00 0.00 H new ATOM 0 HE2 HIS A 58 5.273 -0.928 -9.201 1.00 0.00 H new ATOM 879 N GLN A 59 3.768 -5.676 -5.348 1.00 0.00 N ATOM 880 CA GLN A 59 3.352 -6.672 -6.329 1.00 0.00 C ATOM 881 C GLN A 59 1.874 -7.009 -6.169 1.00 0.00 C ATOM 882 O GLN A 59 1.273 -7.639 -7.040 1.00 0.00 O ATOM 883 CB GLN A 59 4.195 -7.940 -6.187 1.00 0.00 C ATOM 884 CG GLN A 59 5.667 -7.732 -6.506 1.00 0.00 C ATOM 885 CD GLN A 59 6.338 -8.993 -7.014 1.00 0.00 C ATOM 886 OE1 GLN A 59 6.164 -10.073 -6.449 1.00 0.00 O ATOM 887 NE2 GLN A 59 7.111 -8.862 -8.085 1.00 0.00 N ATOM 0 H GLN A 59 4.006 -6.058 -4.433 1.00 0.00 H new ATOM 0 HA GLN A 59 3.504 -6.252 -7.323 1.00 0.00 H new ATOM 0 HB2 GLN A 59 4.102 -8.315 -5.168 1.00 0.00 H new ATOM 0 HB3 GLN A 59 3.794 -8.709 -6.848 1.00 0.00 H new ATOM 0 HG2 GLN A 59 5.765 -6.946 -7.255 1.00 0.00 H new ATOM 0 HG3 GLN A 59 6.183 -7.386 -5.611 1.00 0.00 H new ATOM 0 HE21 GLN A 59 7.227 -7.947 -8.522 1.00 0.00 H new ATOM 0 HE22 GLN A 59 7.589 -9.676 -8.472 1.00 0.00 H new ATOM 896 N TYR A 60 1.293 -6.586 -5.052 1.00 0.00 N ATOM 897 CA TYR A 60 -0.115 -6.845 -4.777 1.00 0.00 C ATOM 898 C TYR A 60 -0.882 -5.540 -4.585 1.00 0.00 C ATOM 899 O TYR A 60 -1.843 -5.480 -3.816 1.00 0.00 O ATOM 900 CB TYR A 60 -0.260 -7.723 -3.533 1.00 0.00 C ATOM 901 CG TYR A 60 0.368 -9.091 -3.681 1.00 0.00 C ATOM 902 CD1 TYR A 60 1.747 -9.239 -3.754 1.00 0.00 C ATOM 903 CD2 TYR A 60 -0.419 -10.235 -3.747 1.00 0.00 C ATOM 904 CE1 TYR A 60 2.325 -10.487 -3.890 1.00 0.00 C ATOM 905 CE2 TYR A 60 0.151 -11.486 -3.881 1.00 0.00 C ATOM 906 CZ TYR A 60 1.523 -11.607 -3.953 1.00 0.00 C ATOM 907 OH TYR A 60 2.095 -12.851 -4.087 1.00 0.00 O ATOM 0 H TYR A 60 1.776 -6.062 -4.322 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.536 -7.369 -5.635 1.00 0.00 H new ATOM 0 HB2 TYR A 60 0.195 -7.213 -2.684 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -1.319 -7.841 -3.303 1.00 0.00 H new ATOM 0 HD1 TYR A 60 2.378 -8.364 -3.704 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.494 -10.144 -3.693 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.399 -10.585 -3.947 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.475 -12.365 -3.929 1.00 0.00 H new ATOM 0 HH TYR A 60 1.392 -13.533 -4.115 1.00 0.00 H new ATOM 917 N ILE A 61 -0.451 -4.499 -5.288 1.00 0.00 N ATOM 918 CA ILE A 61 -1.097 -3.196 -5.197 1.00 0.00 C ATOM 919 C ILE A 61 -0.757 -2.327 -6.403 1.00 0.00 C ATOM 920 O ILE A 61 0.291 -2.495 -7.026 1.00 0.00 O ATOM 921 CB ILE A 61 -0.687 -2.453 -3.912 1.00 0.00 C ATOM 922 CG1 ILE A 61 0.809 -2.130 -3.939 1.00 0.00 C ATOM 923 CG2 ILE A 61 -1.033 -3.285 -2.686 1.00 0.00 C ATOM 924 CD1 ILE A 61 1.127 -0.793 -4.569 1.00 0.00 C ATOM 0 H ILE A 61 0.343 -4.532 -5.927 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.171 -3.378 -5.175 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.241 -1.516 -3.859 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.194 -2.143 -2.919 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.332 -2.914 -4.487 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.737 -2.747 -1.786 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.107 -3.469 -2.662 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.503 -4.236 -2.730 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.205 -0.631 -4.554 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.773 -0.783 -5.600 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.633 0.000 -4.008 1.00 0.00 H new ATOM 936 N VAL A 62 -1.650 -1.397 -6.727 1.00 0.00 N ATOM 937 CA VAL A 62 -1.443 -0.499 -7.857 1.00 0.00 C ATOM 938 C VAL A 62 -1.282 0.943 -7.391 1.00 0.00 C ATOM 939 O VAL A 62 -2.265 1.631 -7.115 1.00 0.00 O ATOM 940 CB VAL A 62 -2.612 -0.577 -8.856 1.00 0.00 C ATOM 941 CG1 VAL A 62 -2.412 0.416 -9.991 1.00 0.00 C ATOM 942 CG2 VAL A 62 -2.759 -1.992 -9.395 1.00 0.00 C ATOM 0 H VAL A 62 -2.524 -1.246 -6.223 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.528 -0.821 -8.354 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.532 -0.314 -8.333 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.248 0.346 -10.687 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.361 1.426 -9.586 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.484 0.188 -10.515 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.590 -2.028 -10.099 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.840 -2.285 -9.902 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.953 -2.677 -8.570 1.00 0.00 H new ATOM 952 N VAL A 63 -0.036 1.396 -7.305 1.00 0.00 N ATOM 953 CA VAL A 63 0.255 2.758 -6.873 1.00 0.00 C ATOM 954 C VAL A 63 -0.241 3.776 -7.895 1.00 0.00 C ATOM 955 O VAL A 63 0.377 3.971 -8.941 1.00 0.00 O ATOM 956 CB VAL A 63 1.764 2.966 -6.650 1.00 0.00 C ATOM 957 CG1 VAL A 63 2.049 4.398 -6.222 1.00 0.00 C ATOM 958 CG2 VAL A 63 2.291 1.979 -5.619 1.00 0.00 C ATOM 0 H VAL A 63 0.789 0.840 -7.529 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.268 2.909 -5.929 1.00 0.00 H new ATOM 0 HB VAL A 63 2.281 2.784 -7.592 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.121 4.526 -6.069 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.709 5.084 -6.998 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.522 4.612 -5.292 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.359 2.140 -5.474 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.770 2.128 -4.673 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.122 0.961 -5.970 1.00 0.00 H new