USER MOD reduce.3.24.130724 H: found=0, std=0, add=538, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 528 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 52 LYS NZ :NH3+ 180:sc= 1.19 (180deg=0) USER MOD Set 1.2: A 62 TYR OH : rot 180:sc= 1.02 USER MOD Set 2.1: A 35 CYS SG : rot 140:sc= 2.04 USER MOD Set 2.2: A 37 SER OG : rot 97:sc= 0.799 USER MOD Set 2.3: A 38 CYS SG : rot -52:sc= -1.12! USER MOD Set 2.4: A 58 CYS SG : rot -132:sc= -5.02! USER MOD Set 3.1: A 34 LYS NZ :NH3+ 164:sc= 1.07 (180deg=0) USER MOD Set 3.2: A 39 GLN : amide:sc= 0.92 K(o=2,f=-10!) USER MOD Set 4.1: A 22 TYR OH : rot 180:sc= 0.337 USER MOD Set 4.2: A 27 TYR OH : rot -59:sc= 1.21 USER MOD Set 5.1: A 8 CYS SG : rot 172:sc= 1.33 USER MOD Set 5.2: A 11 CYS SG : rot -43:sc= 1.07 USER MOD Set 5.3: A 29 HIS : no HD1:sc= -2.38! K(o=-2.4!,f=-5.4) USER MOD Set 5.4: A 32 CYS SG : rot 130:sc= -2.45! USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -170:sc= -0.0116 (180deg=-0.172) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 94:sc= 0.537 USER MOD Single : A 36 SER OG : rot -150:sc= 0.315 USER MOD Single : A 41 GLN : amide:sc= -4.89! C(o=-4.9!,f=-3.5!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= -0.521 USER MOD Single : A 49 SER OG : rot 176:sc= -4.9! USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 124:sc= 1.29 USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 97 N ARG A 7 -9.744 -2.928 -1.743 1.00 0.00 N ATOM 98 CA ARG A 7 -9.419 -3.526 -0.457 1.00 0.00 C ATOM 99 C ARG A 7 -8.087 -3.001 0.062 1.00 0.00 C ATOM 100 O ARG A 7 -7.157 -2.786 -0.717 1.00 0.00 O ATOM 101 CB ARG A 7 -9.349 -5.049 -0.597 1.00 0.00 C ATOM 102 CG ARG A 7 -10.556 -5.775 -0.027 1.00 0.00 C ATOM 103 CD ARG A 7 -10.331 -6.202 1.416 1.00 0.00 C ATOM 104 NE ARG A 7 -8.919 -6.176 1.799 1.00 0.00 N ATOM 105 CZ ARG A 7 -8.107 -7.232 1.705 1.00 0.00 C ATOM 106 NH1 ARG A 7 -8.555 -8.380 1.212 1.00 0.00 N ATOM 107 NH2 ARG A 7 -6.843 -7.134 2.091 1.00 0.00 N ATOM 0 HA ARG A 7 -10.200 -3.258 0.254 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -9.249 -5.303 -1.652 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -8.450 -5.409 -0.096 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -11.430 -5.125 -0.082 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -10.773 -6.653 -0.636 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -10.895 -5.544 2.077 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -10.723 -7.209 1.558 1.00 0.00 H new ATOM 0 HE ARG A 7 -8.533 -5.303 2.158 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -9.524 -8.459 0.903 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -7.930 -9.183 1.142 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -6.490 -6.251 2.460 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -6.224 -7.941 2.019 1.00 0.00 H new ATOM 121 N CYS A 8 -7.973 -2.853 1.381 1.00 0.00 N ATOM 122 CA CYS A 8 -6.713 -2.454 1.984 1.00 0.00 C ATOM 123 C CYS A 8 -5.747 -3.628 1.984 1.00 0.00 C ATOM 124 O CYS A 8 -6.028 -4.677 2.569 1.00 0.00 O ATOM 125 CB CYS A 8 -6.917 -1.949 3.417 1.00 0.00 C ATOM 126 SG CYS A 8 -5.380 -1.399 4.239 1.00 0.00 S ATOM 0 H CYS A 8 -8.734 -3.003 2.044 1.00 0.00 H new ATOM 0 HA CYS A 8 -6.298 -1.638 1.393 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -7.625 -1.120 3.402 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -7.369 -2.744 4.010 1.00 0.00 H new ATOM 0 HG CYS A 8 -5.673 -0.833 5.372 1.00 0.00 H new ATOM 131 N ALA A 9 -4.603 -3.438 1.352 1.00 0.00 N ATOM 132 CA ALA A 9 -3.579 -4.464 1.300 1.00 0.00 C ATOM 133 C ALA A 9 -2.709 -4.407 2.546 1.00 0.00 C ATOM 134 O ALA A 9 -1.846 -5.259 2.755 1.00 0.00 O ATOM 135 CB ALA A 9 -2.730 -4.303 0.048 1.00 0.00 C ATOM 0 H ALA A 9 -4.359 -2.576 0.864 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.065 -5.439 1.263 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -1.966 -5.080 0.024 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.364 -4.389 -0.835 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.251 -3.324 0.057 1.00 0.00 H new ATOM 141 N GLY A 10 -2.968 -3.414 3.387 1.00 0.00 N ATOM 142 CA GLY A 10 -2.222 -3.272 4.617 1.00 0.00 C ATOM 143 C GLY A 10 -2.697 -4.228 5.689 1.00 0.00 C ATOM 144 O GLY A 10 -1.895 -4.954 6.276 1.00 0.00 O ATOM 0 H GLY A 10 -3.684 -2.704 3.236 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.164 -3.446 4.420 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.314 -2.248 4.979 1.00 0.00 H new ATOM 148 N CYS A 11 -4.011 -4.302 5.881 1.00 0.00 N ATOM 149 CA CYS A 11 -4.574 -5.243 6.833 1.00 0.00 C ATOM 150 C CYS A 11 -5.261 -6.388 6.099 1.00 0.00 C ATOM 151 O CYS A 11 -4.599 -7.281 5.566 1.00 0.00 O ATOM 152 CB CYS A 11 -5.558 -4.546 7.789 1.00 0.00 C ATOM 153 SG CYS A 11 -6.792 -3.470 6.981 1.00 0.00 S ATOM 0 H CYS A 11 -4.697 -3.726 5.393 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.759 -5.649 7.432 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -6.084 -5.309 8.363 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.988 -3.948 8.500 1.00 0.00 H new ATOM 0 HG CYS A 11 -6.213 -2.767 6.053 1.00 0.00 H new ATOM 158 N GLY A 12 -6.579 -6.318 6.024 1.00 0.00 N ATOM 159 CA GLY A 12 -7.333 -7.336 5.330 1.00 0.00 C ATOM 160 C GLY A 12 -8.810 -7.017 5.247 1.00 0.00 C ATOM 161 O GLY A 12 -9.641 -7.922 5.180 1.00 0.00 O ATOM 0 H GLY A 12 -7.141 -5.572 6.433 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -6.934 -7.454 4.322 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -7.200 -8.291 5.839 1.00 0.00 H new ATOM 165 N GLY A 13 -9.150 -5.737 5.222 1.00 0.00 N ATOM 166 CA GLY A 13 -10.529 -5.356 5.104 1.00 0.00 C ATOM 167 C GLY A 13 -10.698 -4.121 4.258 1.00 0.00 C ATOM 168 O GLY A 13 -9.867 -3.823 3.395 1.00 0.00 O ATOM 0 H GLY A 13 -8.491 -4.961 5.282 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -11.097 -6.177 4.666 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -10.943 -5.176 6.096 1.00 0.00 H new ATOM 172 N LYS A 14 -11.710 -3.355 4.581 1.00 0.00 N ATOM 173 CA LYS A 14 -11.954 -2.086 3.925 1.00 0.00 C ATOM 174 C LYS A 14 -11.456 -0.960 4.814 1.00 0.00 C ATOM 175 O LYS A 14 -11.131 -1.181 5.981 1.00 0.00 O ATOM 176 CB LYS A 14 -13.444 -1.912 3.607 1.00 0.00 C ATOM 177 CG LYS A 14 -14.049 -3.108 2.889 1.00 0.00 C ATOM 178 CD LYS A 14 -15.456 -2.819 2.395 1.00 0.00 C ATOM 179 CE LYS A 14 -15.510 -2.754 0.877 1.00 0.00 C ATOM 180 NZ LYS A 14 -15.482 -4.104 0.256 1.00 0.00 N ATOM 0 H LYS A 14 -12.390 -3.589 5.305 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.413 -2.062 2.979 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -13.989 -1.740 4.535 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -13.576 -1.022 2.991 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -13.417 -3.382 2.045 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -14.070 -3.964 3.563 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -16.135 -3.594 2.752 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -15.803 -1.874 2.813 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -16.417 -2.233 0.569 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -14.666 -2.169 0.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -15.521 -4.011 -0.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -14.605 -4.593 0.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -16.301 -4.654 0.585 1.00 0.00 H new ATOM 194 N ILE A 15 -11.288 0.212 4.240 1.00 0.00 N ATOM 195 CA ILE A 15 -10.711 1.325 4.967 1.00 0.00 C ATOM 196 C ILE A 15 -11.786 2.242 5.538 1.00 0.00 C ATOM 197 O ILE A 15 -12.500 2.916 4.801 1.00 0.00 O ATOM 198 CB ILE A 15 -9.762 2.132 4.063 1.00 0.00 C ATOM 199 CG1 ILE A 15 -8.731 1.188 3.427 1.00 0.00 C ATOM 200 CG2 ILE A 15 -9.082 3.243 4.855 1.00 0.00 C ATOM 201 CD1 ILE A 15 -7.470 1.884 2.972 1.00 0.00 C ATOM 0 H ILE A 15 -11.542 0.420 3.274 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.144 0.908 5.799 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.338 2.604 3.267 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -8.468 0.413 4.147 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -9.188 0.688 2.573 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -8.415 3.802 4.199 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.838 3.915 5.262 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.506 2.808 5.672 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -6.789 1.154 2.534 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -7.720 2.640 2.228 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -6.989 2.361 3.826 1.00 0.00 H new ATOM 212 N ALA A 16 -11.897 2.256 6.858 1.00 0.00 N ATOM 213 CA ALA A 16 -12.865 3.108 7.530 1.00 0.00 C ATOM 214 C ALA A 16 -12.318 4.519 7.678 1.00 0.00 C ATOM 215 O ALA A 16 -13.069 5.467 7.901 1.00 0.00 O ATOM 216 CB ALA A 16 -13.228 2.532 8.888 1.00 0.00 C ATOM 0 H ALA A 16 -11.328 1.687 7.485 1.00 0.00 H new ATOM 0 HA ALA A 16 -13.769 3.151 6.922 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -13.953 3.182 9.377 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -13.660 1.540 8.759 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -12.332 2.460 9.504 1.00 0.00 H new ATOM 222 N ASP A 17 -11.005 4.653 7.516 1.00 0.00 N ATOM 223 CA ASP A 17 -10.343 5.954 7.582 1.00 0.00 C ATOM 224 C ASP A 17 -10.852 6.885 6.493 1.00 0.00 C ATOM 225 O ASP A 17 -11.094 6.463 5.360 1.00 0.00 O ATOM 226 CB ASP A 17 -8.821 5.810 7.453 1.00 0.00 C ATOM 227 CG ASP A 17 -8.102 5.944 8.781 1.00 0.00 C ATOM 228 OD1 ASP A 17 -8.491 6.819 9.584 1.00 0.00 O ATOM 229 OD2 ASP A 17 -7.128 5.199 9.021 1.00 0.00 O ATOM 0 H ASP A 17 -10.374 3.872 7.337 1.00 0.00 H new ATOM 0 HA ASP A 17 -10.578 6.383 8.556 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -8.589 4.839 7.016 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -8.446 6.567 6.764 1.00 0.00 H new ATOM 234 N ARG A 18 -10.978 8.159 6.836 1.00 0.00 N ATOM 235 CA ARG A 18 -11.402 9.171 5.884 1.00 0.00 C ATOM 236 C ARG A 18 -10.264 9.494 4.928 1.00 0.00 C ATOM 237 O ARG A 18 -10.470 9.666 3.728 1.00 0.00 O ATOM 238 CB ARG A 18 -11.836 10.439 6.620 1.00 0.00 C ATOM 239 CG ARG A 18 -12.671 11.379 5.771 1.00 0.00 C ATOM 240 CD ARG A 18 -13.228 12.521 6.599 1.00 0.00 C ATOM 241 NE ARG A 18 -13.739 12.064 7.888 1.00 0.00 N ATOM 242 CZ ARG A 18 -14.980 12.276 8.319 1.00 0.00 C ATOM 243 NH1 ARG A 18 -15.821 13.013 7.604 1.00 0.00 N ATOM 244 NH2 ARG A 18 -15.367 11.770 9.479 1.00 0.00 N ATOM 0 H ARG A 18 -10.791 8.516 7.773 1.00 0.00 H new ATOM 0 HA ARG A 18 -12.248 8.785 5.315 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -12.407 10.158 7.505 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -10.949 10.968 6.968 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -12.062 11.778 4.960 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -13.491 10.826 5.312 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -12.448 13.265 6.761 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -14.028 13.013 6.046 1.00 0.00 H new ATOM 0 HE ARG A 18 -13.104 11.549 8.498 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -15.517 13.420 6.719 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -16.771 13.172 7.939 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -14.715 11.220 10.039 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -16.317 11.930 9.814 1.00 0.00 H new ATOM 258 N PHE A 19 -9.055 9.523 5.464 1.00 0.00 N ATOM 259 CA PHE A 19 -7.877 9.776 4.660 1.00 0.00 C ATOM 260 C PHE A 19 -7.219 8.457 4.296 1.00 0.00 C ATOM 261 O PHE A 19 -6.447 7.896 5.074 1.00 0.00 O ATOM 262 CB PHE A 19 -6.894 10.680 5.412 1.00 0.00 C ATOM 263 CG PHE A 19 -7.240 12.143 5.345 1.00 0.00 C ATOM 264 CD1 PHE A 19 -8.558 12.559 5.228 1.00 0.00 C ATOM 265 CD2 PHE A 19 -6.245 13.105 5.401 1.00 0.00 C ATOM 266 CE1 PHE A 19 -8.876 13.901 5.168 1.00 0.00 C ATOM 267 CE2 PHE A 19 -6.558 14.449 5.340 1.00 0.00 C ATOM 268 CZ PHE A 19 -7.873 14.847 5.224 1.00 0.00 C ATOM 0 H PHE A 19 -8.866 9.374 6.455 1.00 0.00 H new ATOM 0 HA PHE A 19 -8.174 10.290 3.746 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -6.859 10.372 6.457 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -5.894 10.534 5.003 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.347 11.823 5.183 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -5.213 12.801 5.493 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -9.907 14.210 5.077 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.772 15.189 5.383 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.118 15.898 5.177 1.00 0.00 H new ATOM 278 N LEU A 20 -7.601 7.922 3.151 1.00 0.00 N ATOM 279 CA LEU A 20 -7.103 6.632 2.718 1.00 0.00 C ATOM 280 C LEU A 20 -5.994 6.807 1.688 1.00 0.00 C ATOM 281 O LEU A 20 -5.505 7.921 1.461 1.00 0.00 O ATOM 282 CB LEU A 20 -8.253 5.778 2.157 1.00 0.00 C ATOM 283 CG LEU A 20 -8.553 5.952 0.665 1.00 0.00 C ATOM 284 CD1 LEU A 20 -8.472 4.615 -0.048 1.00 0.00 C ATOM 285 CD2 LEU A 20 -9.923 6.576 0.459 1.00 0.00 C ATOM 0 H LEU A 20 -8.255 8.362 2.504 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.682 6.111 3.578 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -8.023 4.729 2.341 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -9.158 6.009 2.719 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.804 6.622 0.242 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.687 4.754 -1.107 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.470 4.201 0.067 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -9.200 3.928 0.383 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -10.114 6.690 -0.608 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -10.686 5.932 0.898 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -9.953 7.554 0.939 1.00 0.00 H new ATOM 297 N LEU A 21 -5.552 5.705 1.112 1.00 0.00 N ATOM 298 CA LEU A 21 -4.478 5.744 0.147 1.00 0.00 C ATOM 299 C LEU A 21 -4.663 4.675 -0.918 1.00 0.00 C ATOM 300 O LEU A 21 -5.102 3.565 -0.623 1.00 0.00 O ATOM 301 CB LEU A 21 -3.142 5.553 0.854 1.00 0.00 C ATOM 302 CG LEU A 21 -2.016 6.435 0.328 1.00 0.00 C ATOM 303 CD1 LEU A 21 -1.251 7.058 1.483 1.00 0.00 C ATOM 304 CD2 LEU A 21 -1.095 5.624 -0.567 1.00 0.00 C ATOM 0 H LEU A 21 -5.923 4.773 1.298 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.491 6.717 -0.344 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.276 5.753 1.917 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.842 4.509 0.761 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.443 7.243 -0.266 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.450 7.685 1.092 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.929 7.666 2.082 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.825 6.270 2.104 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.293 6.263 -0.938 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.667 4.799 0.003 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.662 5.227 -1.409 1.00 0.00 H new ATOM 316 N TYR A 22 -4.277 5.005 -2.137 1.00 0.00 N ATOM 317 CA TYR A 22 -4.308 4.062 -3.244 1.00 0.00 C ATOM 318 C TYR A 22 -2.883 3.657 -3.587 1.00 0.00 C ATOM 319 O TYR A 22 -2.083 4.502 -3.990 1.00 0.00 O ATOM 320 CB TYR A 22 -4.941 4.698 -4.491 1.00 0.00 C ATOM 321 CG TYR A 22 -6.428 4.987 -4.416 1.00 0.00 C ATOM 322 CD1 TYR A 22 -6.981 5.708 -3.362 1.00 0.00 C ATOM 323 CD2 TYR A 22 -7.275 4.572 -5.437 1.00 0.00 C ATOM 324 CE1 TYR A 22 -8.330 6.002 -3.329 1.00 0.00 C ATOM 325 CE2 TYR A 22 -8.625 4.859 -5.407 1.00 0.00 C ATOM 326 CZ TYR A 22 -9.146 5.576 -4.352 1.00 0.00 C ATOM 327 OH TYR A 22 -10.489 5.865 -4.319 1.00 0.00 O ATOM 0 H TYR A 22 -3.934 5.932 -2.389 1.00 0.00 H new ATOM 0 HA TYR A 22 -4.901 3.198 -2.944 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -4.421 5.633 -4.700 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -4.763 4.038 -5.340 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -6.345 6.043 -2.556 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -6.870 4.015 -6.269 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -8.743 6.564 -2.504 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -9.269 4.523 -6.206 1.00 0.00 H new ATOM 0 HH TYR A 22 -10.923 5.494 -5.115 1.00 0.00 H new ATOM 337 N ALA A 23 -2.559 2.382 -3.461 1.00 0.00 N ATOM 338 CA ALA A 23 -1.241 1.923 -3.843 1.00 0.00 C ATOM 339 C ALA A 23 -1.270 0.463 -4.273 1.00 0.00 C ATOM 340 O ALA A 23 -1.902 -0.373 -3.624 1.00 0.00 O ATOM 341 CB ALA A 23 -0.238 2.143 -2.718 1.00 0.00 C ATOM 0 H ALA A 23 -3.182 1.658 -3.103 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.918 2.515 -4.700 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.744 1.789 -3.032 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.183 3.206 -2.483 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.557 1.592 -1.833 1.00 0.00 H new ATOM 347 N MET A 24 -0.606 0.184 -5.394 1.00 0.00 N ATOM 348 CA MET A 24 -0.540 -1.161 -5.964 1.00 0.00 C ATOM 349 C MET A 24 -1.923 -1.644 -6.389 1.00 0.00 C ATOM 350 O MET A 24 -2.240 -2.829 -6.275 1.00 0.00 O ATOM 351 CB MET A 24 0.089 -2.148 -4.974 1.00 0.00 C ATOM 352 CG MET A 24 1.567 -2.397 -5.221 1.00 0.00 C ATOM 353 SD MET A 24 2.087 -4.065 -4.770 1.00 0.00 S ATOM 354 CE MET A 24 2.126 -3.936 -2.983 1.00 0.00 C ATOM 0 H MET A 24 -0.098 0.885 -5.933 1.00 0.00 H new ATOM 0 HA MET A 24 0.094 -1.113 -6.850 1.00 0.00 H new ATOM 0 HB2 MET A 24 -0.043 -1.768 -3.961 1.00 0.00 H new ATOM 0 HB3 MET A 24 -0.445 -3.096 -5.030 1.00 0.00 H new ATOM 0 HG2 MET A 24 1.787 -2.226 -6.275 1.00 0.00 H new ATOM 0 HG3 MET A 24 2.152 -1.674 -4.652 1.00 0.00 H new ATOM 0 HE1 MET A 24 2.597 -4.825 -2.564 1.00 0.00 H new ATOM 0 HE2 MET A 24 2.696 -3.053 -2.694 1.00 0.00 H new ATOM 0 HE3 MET A 24 1.108 -3.851 -2.602 1.00 0.00 H new ATOM 364 N ASP A 25 -2.763 -0.697 -6.820 1.00 0.00 N ATOM 365 CA ASP A 25 -4.128 -0.989 -7.262 1.00 0.00 C ATOM 366 C ASP A 25 -4.975 -1.493 -6.106 1.00 0.00 C ATOM 367 O ASP A 25 -6.068 -2.020 -6.300 1.00 0.00 O ATOM 368 CB ASP A 25 -4.136 -2.002 -8.408 1.00 0.00 C ATOM 369 CG ASP A 25 -4.335 -1.349 -9.758 1.00 0.00 C ATOM 370 OD1 ASP A 25 -3.553 -0.440 -10.109 1.00 0.00 O ATOM 371 OD2 ASP A 25 -5.274 -1.744 -10.478 1.00 0.00 O ATOM 0 H ASP A 25 -2.515 0.291 -6.872 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.561 -0.058 -7.629 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -3.195 -2.552 -8.409 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.930 -2.730 -8.240 1.00 0.00 H new ATOM 376 N SER A 26 -4.487 -1.263 -4.903 1.00 0.00 N ATOM 377 CA SER A 26 -5.208 -1.603 -3.697 1.00 0.00 C ATOM 378 C SER A 26 -5.197 -0.407 -2.763 1.00 0.00 C ATOM 379 O SER A 26 -4.705 0.662 -3.128 1.00 0.00 O ATOM 380 CB SER A 26 -4.572 -2.825 -3.030 1.00 0.00 C ATOM 381 OG SER A 26 -3.946 -3.658 -3.997 1.00 0.00 O ATOM 0 H SER A 26 -3.577 -0.834 -4.736 1.00 0.00 H new ATOM 0 HA SER A 26 -6.240 -1.855 -3.940 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.838 -2.502 -2.292 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.334 -3.391 -2.495 1.00 0.00 H new ATOM 0 HG SER A 26 -3.544 -4.432 -3.551 1.00 0.00 H new ATOM 387 N TYR A 27 -5.775 -0.561 -1.596 1.00 0.00 N ATOM 388 CA TYR A 27 -5.858 0.537 -0.655 1.00 0.00 C ATOM 389 C TYR A 27 -4.916 0.313 0.514 1.00 0.00 C ATOM 390 O TYR A 27 -4.455 -0.804 0.739 1.00 0.00 O ATOM 391 CB TYR A 27 -7.285 0.691 -0.150 1.00 0.00 C ATOM 392 CG TYR A 27 -8.234 1.310 -1.150 1.00 0.00 C ATOM 393 CD1 TYR A 27 -7.789 1.807 -2.376 1.00 0.00 C ATOM 394 CD2 TYR A 27 -9.589 1.395 -0.860 1.00 0.00 C ATOM 395 CE1 TYR A 27 -8.679 2.365 -3.271 1.00 0.00 C ATOM 396 CE2 TYR A 27 -10.477 1.955 -1.753 1.00 0.00 C ATOM 397 CZ TYR A 27 -10.020 2.436 -2.956 1.00 0.00 C ATOM 398 OH TYR A 27 -10.910 2.984 -3.854 1.00 0.00 O ATOM 0 H TYR A 27 -6.195 -1.433 -1.273 1.00 0.00 H new ATOM 0 HA TYR A 27 -5.562 1.451 -1.169 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -7.665 -0.290 0.135 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -7.275 1.304 0.752 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.740 1.754 -2.626 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -9.954 1.015 0.083 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -8.326 2.746 -4.218 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.527 2.015 -1.508 1.00 0.00 H new ATOM 0 HH TYR A 27 -10.651 3.909 -4.049 1.00 0.00 H new ATOM 408 N TRP A 28 -4.609 1.384 1.231 1.00 0.00 N ATOM 409 CA TRP A 28 -3.711 1.310 2.376 1.00 0.00 C ATOM 410 C TRP A 28 -4.182 2.245 3.483 1.00 0.00 C ATOM 411 O TRP A 28 -4.504 3.409 3.231 1.00 0.00 O ATOM 412 CB TRP A 28 -2.279 1.673 1.968 1.00 0.00 C ATOM 413 CG TRP A 28 -1.628 0.653 1.084 1.00 0.00 C ATOM 414 CD1 TRP A 28 -1.760 0.545 -0.268 1.00 0.00 C ATOM 415 CD2 TRP A 28 -0.753 -0.403 1.489 1.00 0.00 C ATOM 416 NE1 TRP A 28 -1.022 -0.514 -0.732 1.00 0.00 N ATOM 417 CE2 TRP A 28 -0.391 -1.113 0.329 1.00 0.00 C ATOM 418 CE3 TRP A 28 -0.239 -0.817 2.721 1.00 0.00 C ATOM 419 CZ2 TRP A 28 0.462 -2.214 0.366 1.00 0.00 C ATOM 420 CZ3 TRP A 28 0.607 -1.908 2.758 1.00 0.00 C ATOM 421 CH2 TRP A 28 0.952 -2.595 1.588 1.00 0.00 C ATOM 0 H TRP A 28 -4.970 2.319 1.040 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.721 0.285 2.746 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -2.290 2.634 1.453 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -1.676 1.800 2.867 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -2.359 1.199 -0.885 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -0.953 -0.808 -1.706 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.499 -0.293 3.629 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 0.727 -2.747 -0.535 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 1.009 -2.237 3.705 1.00 0.00 H new ATOM 0 HH2 TRP A 28 1.618 -3.443 1.650 1.00 0.00 H new ATOM 432 N HIS A 29 -4.231 1.732 4.703 1.00 0.00 N ATOM 433 CA HIS A 29 -4.636 2.529 5.855 1.00 0.00 C ATOM 434 C HIS A 29 -3.522 3.490 6.248 1.00 0.00 C ATOM 435 O HIS A 29 -2.407 3.407 5.730 1.00 0.00 O ATOM 436 CB HIS A 29 -4.951 1.632 7.052 1.00 0.00 C ATOM 437 CG HIS A 29 -6.396 1.284 7.222 1.00 0.00 C ATOM 438 ND1 HIS A 29 -6.836 0.006 7.045 1.00 0.00 N ATOM 439 CD2 HIS A 29 -7.437 2.055 7.615 1.00 0.00 C ATOM 440 CE1 HIS A 29 -8.121 0.004 7.333 1.00 0.00 C ATOM 441 NE2 HIS A 29 -8.541 1.236 7.689 1.00 0.00 N ATOM 0 H HIS A 29 -3.995 0.764 4.923 1.00 0.00 H new ATOM 0 HA HIS A 29 -5.529 3.088 5.576 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -4.380 0.709 6.954 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -4.604 2.127 7.959 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -7.407 3.113 7.830 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -8.755 -0.869 7.290 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -9.487 1.506 7.959 1.00 0.00 H new ATOM 449 N SER A 30 -3.790 4.308 7.253 1.00 0.00 N ATOM 450 CA SER A 30 -2.790 5.208 7.802 1.00 0.00 C ATOM 451 C SER A 30 -1.673 4.417 8.486 1.00 0.00 C ATOM 452 O SER A 30 -0.491 4.736 8.349 1.00 0.00 O ATOM 453 CB SER A 30 -3.455 6.164 8.794 1.00 0.00 C ATOM 454 OG SER A 30 -4.667 6.684 8.263 1.00 0.00 O ATOM 0 H SER A 30 -4.701 4.367 7.708 1.00 0.00 H new ATOM 0 HA SER A 30 -2.346 5.786 6.991 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.658 5.641 9.729 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.775 6.983 9.028 1.00 0.00 H new ATOM 0 HG SER A 30 -5.419 6.132 8.563 1.00 0.00 H new ATOM 460 N ARG A 31 -2.055 3.367 9.204 1.00 0.00 N ATOM 461 CA ARG A 31 -1.082 2.533 9.901 1.00 0.00 C ATOM 462 C ARG A 31 -0.724 1.298 9.086 1.00 0.00 C ATOM 463 O ARG A 31 0.264 0.621 9.374 1.00 0.00 O ATOM 464 CB ARG A 31 -1.611 2.113 11.270 1.00 0.00 C ATOM 465 CG ARG A 31 -0.687 2.490 12.419 1.00 0.00 C ATOM 466 CD ARG A 31 -1.305 3.566 13.301 1.00 0.00 C ATOM 467 NE ARG A 31 -2.747 3.374 13.477 1.00 0.00 N ATOM 468 CZ ARG A 31 -3.674 4.262 13.105 1.00 0.00 C ATOM 469 NH1 ARG A 31 -3.318 5.432 12.586 1.00 0.00 N ATOM 470 NH2 ARG A 31 -4.961 3.975 13.267 1.00 0.00 N ATOM 0 H ARG A 31 -3.025 3.074 9.319 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.180 3.130 10.036 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.585 2.574 11.431 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -1.764 1.034 11.276 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -0.471 1.606 13.019 1.00 0.00 H new ATOM 0 HG3 ARG A 31 0.264 2.845 12.021 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.817 3.559 14.276 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.121 4.546 12.859 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.064 2.507 13.911 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.330 5.659 12.469 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -4.032 6.104 12.305 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -5.237 3.081 13.673 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.673 4.649 12.985 1.00 0.00 H new ATOM 484 N CYS A 32 -1.517 1.007 8.064 1.00 0.00 N ATOM 485 CA CYS A 32 -1.263 -0.148 7.220 1.00 0.00 C ATOM 486 C CYS A 32 -0.164 0.155 6.213 1.00 0.00 C ATOM 487 O CYS A 32 0.728 -0.668 5.997 1.00 0.00 O ATOM 488 CB CYS A 32 -2.543 -0.581 6.513 1.00 0.00 C ATOM 489 SG CYS A 32 -3.729 -1.431 7.601 1.00 0.00 S ATOM 0 H CYS A 32 -2.338 1.553 7.802 1.00 0.00 H new ATOM 0 HA CYS A 32 -0.925 -0.970 7.851 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -3.024 0.297 6.082 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -2.285 -1.242 5.685 1.00 0.00 H new ATOM 0 HG CYS A 32 -4.906 -0.896 7.462 1.00 0.00 H new ATOM 494 N LEU A 33 -0.142 1.380 5.709 1.00 0.00 N ATOM 495 CA LEU A 33 0.956 1.806 4.862 1.00 0.00 C ATOM 496 C LEU A 33 2.133 2.224 5.726 1.00 0.00 C ATOM 497 O LEU A 33 2.305 3.400 6.058 1.00 0.00 O ATOM 498 CB LEU A 33 0.547 2.945 3.927 1.00 0.00 C ATOM 499 CG LEU A 33 1.576 3.279 2.839 1.00 0.00 C ATOM 500 CD1 LEU A 33 2.171 2.011 2.241 1.00 0.00 C ATOM 501 CD2 LEU A 33 0.949 4.129 1.753 1.00 0.00 C ATOM 0 H LEU A 33 -0.861 2.085 5.870 1.00 0.00 H new ATOM 0 HA LEU A 33 1.245 0.963 4.234 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.397 2.683 3.448 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.365 3.839 4.523 1.00 0.00 H new ATOM 0 HG LEU A 33 2.382 3.847 3.304 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.897 2.277 1.473 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.666 1.437 3.024 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.377 1.411 1.797 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.695 4.355 0.991 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.120 3.586 1.299 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.580 5.059 2.186 1.00 0.00 H new ATOM 513 N LYS A 34 2.909 1.238 6.128 1.00 0.00 N ATOM 514 CA LYS A 34 4.065 1.460 6.967 1.00 0.00 C ATOM 515 C LYS A 34 5.245 0.677 6.417 1.00 0.00 C ATOM 516 O LYS A 34 5.061 -0.323 5.721 1.00 0.00 O ATOM 517 CB LYS A 34 3.753 1.049 8.419 1.00 0.00 C ATOM 518 CG LYS A 34 4.408 -0.253 8.867 1.00 0.00 C ATOM 519 CD LYS A 34 3.578 -1.466 8.473 1.00 0.00 C ATOM 520 CE LYS A 34 4.439 -2.714 8.330 1.00 0.00 C ATOM 521 NZ LYS A 34 4.264 -3.636 9.484 1.00 0.00 N ATOM 0 H LYS A 34 2.754 0.260 5.881 1.00 0.00 H new ATOM 0 HA LYS A 34 4.320 2.520 6.967 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.074 1.849 9.086 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.673 0.954 8.531 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.401 -0.332 8.424 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.542 -0.240 9.949 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.807 -1.639 9.224 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.066 -1.267 7.531 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.179 -3.232 7.407 1.00 0.00 H new ATOM 0 HE3 LYS A 34 5.487 -2.426 8.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 4.639 -4.575 9.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 4.778 -3.263 10.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.253 -3.716 9.714 1.00 0.00 H new ATOM 535 N CYS A 35 6.445 1.123 6.742 1.00 0.00 N ATOM 536 CA CYS A 35 7.646 0.431 6.329 1.00 0.00 C ATOM 537 C CYS A 35 7.649 -0.983 6.890 1.00 0.00 C ATOM 538 O CYS A 35 7.419 -1.185 8.082 1.00 0.00 O ATOM 539 CB CYS A 35 8.864 1.189 6.836 1.00 0.00 C ATOM 540 SG CYS A 35 10.454 0.681 6.113 1.00 0.00 S ATOM 0 H CYS A 35 6.611 1.965 7.293 1.00 0.00 H new ATOM 0 HA CYS A 35 7.677 0.379 5.241 1.00 0.00 H new ATOM 0 HB2 CYS A 35 8.718 2.251 6.640 1.00 0.00 H new ATOM 0 HB3 CYS A 35 8.921 1.069 7.918 1.00 0.00 H new ATOM 0 HG CYS A 35 11.187 1.732 5.896 1.00 0.00 H new ATOM 545 N SER A 36 8.022 -1.941 6.066 1.00 0.00 N ATOM 546 CA SER A 36 8.155 -3.307 6.523 1.00 0.00 C ATOM 547 C SER A 36 9.518 -3.502 7.173 1.00 0.00 C ATOM 548 O SER A 36 9.853 -4.595 7.620 1.00 0.00 O ATOM 549 CB SER A 36 7.974 -4.277 5.355 1.00 0.00 C ATOM 550 OG SER A 36 6.916 -3.850 4.510 1.00 0.00 O ATOM 0 H SER A 36 8.238 -1.798 5.079 1.00 0.00 H new ATOM 0 HA SER A 36 7.380 -3.513 7.262 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.900 -4.343 4.783 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.762 -5.277 5.735 1.00 0.00 H new ATOM 0 HG SER A 36 6.497 -4.630 4.091 1.00 0.00 H new ATOM 556 N SER A 37 10.312 -2.440 7.190 1.00 0.00 N ATOM 557 CA SER A 37 11.654 -2.519 7.730 1.00 0.00 C ATOM 558 C SER A 37 11.778 -1.761 9.049 1.00 0.00 C ATOM 559 O SER A 37 12.223 -2.324 10.048 1.00 0.00 O ATOM 560 CB SER A 37 12.657 -1.984 6.708 1.00 0.00 C ATOM 561 OG SER A 37 12.020 -1.753 5.464 1.00 0.00 O ATOM 0 H SER A 37 10.048 -1.520 6.837 1.00 0.00 H new ATOM 0 HA SER A 37 11.874 -3.567 7.936 1.00 0.00 H new ATOM 0 HB2 SER A 37 13.100 -1.058 7.074 1.00 0.00 H new ATOM 0 HB3 SER A 37 13.471 -2.698 6.580 1.00 0.00 H new ATOM 0 HG SER A 37 11.776 -0.806 5.392 1.00 0.00 H new ATOM 567 N CYS A 38 11.412 -0.482 9.060 1.00 0.00 N ATOM 568 CA CYS A 38 11.563 0.318 10.268 1.00 0.00 C ATOM 569 C CYS A 38 10.211 0.737 10.843 1.00 0.00 C ATOM 570 O CYS A 38 10.151 1.371 11.898 1.00 0.00 O ATOM 571 CB CYS A 38 12.438 1.545 9.989 1.00 0.00 C ATOM 572 SG CYS A 38 11.652 2.839 8.981 1.00 0.00 S ATOM 0 H CYS A 38 11.016 0.014 8.261 1.00 0.00 H new ATOM 0 HA CYS A 38 12.056 -0.302 11.017 1.00 0.00 H new ATOM 0 HB2 CYS A 38 12.740 1.981 10.941 1.00 0.00 H new ATOM 0 HB3 CYS A 38 13.348 1.217 9.486 1.00 0.00 H new ATOM 0 HG CYS A 38 11.173 2.311 7.894 1.00 0.00 H new ATOM 577 N GLN A 39 9.139 0.340 10.158 1.00 0.00 N ATOM 578 CA GLN A 39 7.759 0.628 10.577 1.00 0.00 C ATOM 579 C GLN A 39 7.436 2.121 10.501 1.00 0.00 C ATOM 580 O GLN A 39 6.465 2.579 11.105 1.00 0.00 O ATOM 581 CB GLN A 39 7.471 0.108 11.991 1.00 0.00 C ATOM 582 CG GLN A 39 7.859 -1.345 12.200 1.00 0.00 C ATOM 583 CD GLN A 39 6.983 -2.303 11.426 1.00 0.00 C ATOM 584 OE1 GLN A 39 5.778 -2.091 11.289 1.00 0.00 O ATOM 585 NE2 GLN A 39 7.581 -3.362 10.916 1.00 0.00 N ATOM 0 H GLN A 39 9.199 -0.194 9.291 1.00 0.00 H new ATOM 0 HA GLN A 39 7.114 0.100 9.875 1.00 0.00 H new ATOM 0 HB2 GLN A 39 8.008 0.725 12.711 1.00 0.00 H new ATOM 0 HB3 GLN A 39 6.408 0.224 12.201 1.00 0.00 H new ATOM 0 HG2 GLN A 39 8.897 -1.486 11.899 1.00 0.00 H new ATOM 0 HG3 GLN A 39 7.800 -1.583 13.262 1.00 0.00 H new ATOM 0 HE21 GLN A 39 8.582 -3.498 11.054 1.00 0.00 H new ATOM 0 HE22 GLN A 39 7.042 -4.045 10.383 1.00 0.00 H new ATOM 594 N ALA A 40 8.204 2.857 9.707 1.00 0.00 N ATOM 595 CA ALA A 40 7.942 4.260 9.478 1.00 0.00 C ATOM 596 C ALA A 40 6.549 4.433 8.908 1.00 0.00 C ATOM 597 O ALA A 40 6.149 3.723 7.981 1.00 0.00 O ATOM 598 CB ALA A 40 8.973 4.858 8.536 1.00 0.00 C ATOM 0 H ALA A 40 9.018 2.496 9.210 1.00 0.00 H new ATOM 0 HA ALA A 40 8.010 4.786 10.430 1.00 0.00 H new ATOM 0 HB1 ALA A 40 8.754 5.914 8.380 1.00 0.00 H new ATOM 0 HB2 ALA A 40 9.967 4.754 8.971 1.00 0.00 H new ATOM 0 HB3 ALA A 40 8.939 4.335 7.580 1.00 0.00 H new ATOM 604 N GLN A 41 5.783 5.277 9.564 1.00 0.00 N ATOM 605 CA GLN A 41 4.383 5.496 9.218 1.00 0.00 C ATOM 606 C GLN A 41 4.262 6.275 7.918 1.00 0.00 C ATOM 607 O GLN A 41 3.994 7.477 7.912 1.00 0.00 O ATOM 608 CB GLN A 41 3.661 6.231 10.348 1.00 0.00 C ATOM 609 CG GLN A 41 2.265 5.702 10.612 1.00 0.00 C ATOM 610 CD GLN A 41 2.261 4.218 10.906 1.00 0.00 C ATOM 611 OE1 GLN A 41 2.646 3.787 11.992 1.00 0.00 O ATOM 612 NE2 GLN A 41 1.822 3.427 9.945 1.00 0.00 N ATOM 0 H GLN A 41 6.107 5.835 10.354 1.00 0.00 H new ATOM 0 HA GLN A 41 3.912 4.523 9.078 1.00 0.00 H new ATOM 0 HB2 GLN A 41 4.251 6.149 11.261 1.00 0.00 H new ATOM 0 HB3 GLN A 41 3.600 7.291 10.102 1.00 0.00 H new ATOM 0 HG2 GLN A 41 1.829 6.238 11.455 1.00 0.00 H new ATOM 0 HG3 GLN A 41 1.634 5.901 9.746 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.512 3.825 9.059 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.793 2.418 10.089 1.00 0.00 H new ATOM 621 N LEU A 42 4.525 5.573 6.832 1.00 0.00 N ATOM 622 CA LEU A 42 4.546 6.142 5.497 1.00 0.00 C ATOM 623 C LEU A 42 3.273 6.924 5.180 1.00 0.00 C ATOM 624 O LEU A 42 3.332 8.013 4.613 1.00 0.00 O ATOM 625 CB LEU A 42 4.742 5.016 4.484 1.00 0.00 C ATOM 626 CG LEU A 42 6.064 4.260 4.608 1.00 0.00 C ATOM 627 CD1 LEU A 42 6.136 3.140 3.584 1.00 0.00 C ATOM 628 CD2 LEU A 42 7.240 5.212 4.449 1.00 0.00 C ATOM 0 H LEU A 42 4.734 4.575 6.853 1.00 0.00 H new ATOM 0 HA LEU A 42 5.372 6.851 5.441 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.923 4.305 4.590 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.673 5.434 3.480 1.00 0.00 H new ATOM 0 HG LEU A 42 6.116 3.817 5.602 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.084 2.613 3.687 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.314 2.443 3.748 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.061 3.559 2.581 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.173 4.656 4.540 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.194 5.686 3.469 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.196 5.977 5.224 1.00 0.00 H new ATOM 640 N GLY A 43 2.128 6.366 5.547 1.00 0.00 N ATOM 641 CA GLY A 43 0.864 7.024 5.275 1.00 0.00 C ATOM 642 C GLY A 43 0.374 7.869 6.436 1.00 0.00 C ATOM 643 O GLY A 43 -0.812 7.847 6.767 1.00 0.00 O ATOM 0 H GLY A 43 2.051 5.470 6.028 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.972 7.656 4.393 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.112 6.271 5.038 1.00 0.00 H new ATOM 647 N ASP A 44 1.275 8.638 7.040 1.00 0.00 N ATOM 648 CA ASP A 44 0.905 9.514 8.150 1.00 0.00 C ATOM 649 C ASP A 44 1.881 10.678 8.300 1.00 0.00 C ATOM 650 O ASP A 44 1.468 11.837 8.364 1.00 0.00 O ATOM 651 CB ASP A 44 0.836 8.729 9.462 1.00 0.00 C ATOM 652 CG ASP A 44 -0.025 9.417 10.505 1.00 0.00 C ATOM 653 OD1 ASP A 44 -0.830 10.300 10.138 1.00 0.00 O ATOM 654 OD2 ASP A 44 0.090 9.071 11.701 1.00 0.00 O ATOM 0 H ASP A 44 2.261 8.674 6.782 1.00 0.00 H new ATOM 0 HA ASP A 44 -0.080 9.921 7.922 1.00 0.00 H new ATOM 0 HB2 ASP A 44 0.438 7.734 9.266 1.00 0.00 H new ATOM 0 HB3 ASP A 44 1.844 8.597 9.856 1.00 0.00 H new ATOM 659 N ILE A 45 3.173 10.375 8.377 1.00 0.00 N ATOM 660 CA ILE A 45 4.188 11.415 8.562 1.00 0.00 C ATOM 661 C ILE A 45 4.688 11.944 7.219 1.00 0.00 C ATOM 662 O ILE A 45 5.889 11.974 6.949 1.00 0.00 O ATOM 663 CB ILE A 45 5.383 10.902 9.393 1.00 0.00 C ATOM 664 CG1 ILE A 45 5.882 9.565 8.848 1.00 0.00 C ATOM 665 CG2 ILE A 45 4.988 10.766 10.856 1.00 0.00 C ATOM 666 CD1 ILE A 45 7.387 9.464 8.767 1.00 0.00 C ATOM 0 H ILE A 45 3.543 9.427 8.315 1.00 0.00 H new ATOM 0 HA ILE A 45 3.710 12.229 9.108 1.00 0.00 H new ATOM 0 HB ILE A 45 6.194 11.627 9.317 1.00 0.00 H new ATOM 0 HG12 ILE A 45 5.507 8.762 9.482 1.00 0.00 H new ATOM 0 HG13 ILE A 45 5.463 9.409 7.854 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.840 10.403 11.431 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.678 11.737 11.241 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.163 10.060 10.946 1.00 0.00 H new ATOM 0 HD11 ILE A 45 7.665 8.487 8.371 1.00 0.00 H new ATOM 0 HD12 ILE A 45 7.769 10.244 8.109 1.00 0.00 H new ATOM 0 HD13 ILE A 45 7.814 9.587 9.762 1.00 0.00 H new ATOM 677 N GLY A 46 3.752 12.312 6.365 1.00 0.00 N ATOM 678 CA GLY A 46 4.092 12.770 5.037 1.00 0.00 C ATOM 679 C GLY A 46 3.546 11.830 3.988 1.00 0.00 C ATOM 680 O GLY A 46 2.631 11.057 4.273 1.00 0.00 O ATOM 0 H GLY A 46 2.753 12.302 6.569 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.690 13.771 4.879 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.175 12.842 4.939 1.00 0.00 H new ATOM 684 N THR A 47 4.122 11.848 2.797 1.00 0.00 N ATOM 685 CA THR A 47 3.691 10.934 1.757 1.00 0.00 C ATOM 686 C THR A 47 4.886 10.323 1.029 1.00 0.00 C ATOM 687 O THR A 47 5.502 10.956 0.174 1.00 0.00 O ATOM 688 CB THR A 47 2.784 11.652 0.739 1.00 0.00 C ATOM 689 OG1 THR A 47 3.114 13.048 0.680 1.00 0.00 O ATOM 690 CG2 THR A 47 1.320 11.498 1.113 1.00 0.00 C ATOM 0 H THR A 47 4.879 12.477 2.530 1.00 0.00 H new ATOM 0 HA THR A 47 3.127 10.135 2.239 1.00 0.00 H new ATOM 0 HB THR A 47 2.948 11.195 -0.237 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.533 13.494 0.029 1.00 0.00 H new ATOM 0 HG21 THR A 47 0.701 12.014 0.379 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.058 10.440 1.130 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.149 11.930 2.099 1.00 0.00 H new ATOM 698 N SER A 48 5.179 9.069 1.344 1.00 0.00 N ATOM 699 CA SER A 48 6.262 8.333 0.701 1.00 0.00 C ATOM 700 C SER A 48 6.050 6.842 0.895 1.00 0.00 C ATOM 701 O SER A 48 5.482 6.428 1.900 1.00 0.00 O ATOM 702 CB SER A 48 7.627 8.723 1.289 1.00 0.00 C ATOM 703 OG SER A 48 7.656 10.074 1.725 1.00 0.00 O ATOM 0 H SER A 48 4.675 8.533 2.050 1.00 0.00 H new ATOM 0 HA SER A 48 6.255 8.582 -0.360 1.00 0.00 H new ATOM 0 HB2 SER A 48 7.860 8.067 2.128 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.402 8.568 0.538 1.00 0.00 H new ATOM 0 HG SER A 48 8.541 10.280 2.093 1.00 0.00 H new ATOM 709 N SER A 49 6.528 6.045 -0.051 1.00 0.00 N ATOM 710 CA SER A 49 6.444 4.599 0.057 1.00 0.00 C ATOM 711 C SER A 49 7.173 3.939 -1.097 1.00 0.00 C ATOM 712 O SER A 49 7.306 4.520 -2.176 1.00 0.00 O ATOM 713 CB SER A 49 4.986 4.133 0.078 1.00 0.00 C ATOM 714 OG SER A 49 4.251 4.720 -0.983 1.00 0.00 O ATOM 0 H SER A 49 6.979 6.379 -0.903 1.00 0.00 H new ATOM 0 HA SER A 49 6.916 4.307 0.995 1.00 0.00 H new ATOM 0 HB2 SER A 49 4.946 3.047 -0.004 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.529 4.397 1.032 1.00 0.00 H new ATOM 0 HG SER A 49 3.340 4.358 -0.990 1.00 0.00 H new ATOM 720 N TYR A 50 7.671 2.744 -0.851 1.00 0.00 N ATOM 721 CA TYR A 50 8.396 1.997 -1.855 1.00 0.00 C ATOM 722 C TYR A 50 8.059 0.523 -1.758 1.00 0.00 C ATOM 723 O TYR A 50 7.751 0.021 -0.678 1.00 0.00 O ATOM 724 CB TYR A 50 9.893 2.208 -1.687 1.00 0.00 C ATOM 725 CG TYR A 50 10.464 3.197 -2.668 1.00 0.00 C ATOM 726 CD1 TYR A 50 10.815 2.789 -3.947 1.00 0.00 C ATOM 727 CD2 TYR A 50 10.655 4.531 -2.326 1.00 0.00 C ATOM 728 CE1 TYR A 50 11.341 3.679 -4.857 1.00 0.00 C ATOM 729 CE2 TYR A 50 11.179 5.424 -3.230 1.00 0.00 C ATOM 730 CZ TYR A 50 11.523 4.992 -4.495 1.00 0.00 C ATOM 731 OH TYR A 50 12.051 5.876 -5.398 1.00 0.00 O ATOM 0 H TYR A 50 7.584 2.267 0.046 1.00 0.00 H new ATOM 0 HA TYR A 50 8.101 2.357 -2.840 1.00 0.00 H new ATOM 0 HB2 TYR A 50 10.094 2.554 -0.673 1.00 0.00 H new ATOM 0 HB3 TYR A 50 10.404 1.252 -1.805 1.00 0.00 H new ATOM 0 HD1 TYR A 50 10.673 1.757 -4.233 1.00 0.00 H new ATOM 0 HD2 TYR A 50 10.388 4.870 -1.336 1.00 0.00 H new ATOM 0 HE1 TYR A 50 11.609 3.347 -5.849 1.00 0.00 H new ATOM 0 HE2 TYR A 50 11.321 6.458 -2.952 1.00 0.00 H new ATOM 0 HH TYR A 50 12.114 6.764 -4.988 1.00 0.00 H new ATOM 741 N THR A 51 8.081 -0.161 -2.887 1.00 0.00 N ATOM 742 CA THR A 51 7.764 -1.578 -2.917 1.00 0.00 C ATOM 743 C THR A 51 8.724 -2.333 -3.825 1.00 0.00 C ATOM 744 O THR A 51 8.694 -2.183 -5.047 1.00 0.00 O ATOM 745 CB THR A 51 6.315 -1.822 -3.377 1.00 0.00 C ATOM 746 OG1 THR A 51 5.429 -0.939 -2.673 1.00 0.00 O ATOM 747 CG2 THR A 51 5.900 -3.266 -3.128 1.00 0.00 C ATOM 0 H THR A 51 8.315 0.241 -3.795 1.00 0.00 H new ATOM 0 HA THR A 51 7.871 -1.952 -1.899 1.00 0.00 H new ATOM 0 HB THR A 51 6.257 -1.626 -4.448 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.508 -1.096 -2.969 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.873 -3.412 -3.462 1.00 0.00 H new ATOM 0 HG22 THR A 51 6.560 -3.935 -3.681 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.970 -3.486 -2.063 1.00 0.00 H new ATOM 755 N LYS A 52 9.561 -3.151 -3.214 1.00 0.00 N ATOM 756 CA LYS A 52 10.509 -3.978 -3.938 1.00 0.00 C ATOM 757 C LYS A 52 10.854 -5.185 -3.081 1.00 0.00 C ATOM 758 O LYS A 52 10.724 -5.125 -1.858 1.00 0.00 O ATOM 759 CB LYS A 52 11.775 -3.187 -4.281 1.00 0.00 C ATOM 760 CG LYS A 52 11.877 -2.795 -5.748 1.00 0.00 C ATOM 761 CD LYS A 52 12.819 -1.619 -5.946 1.00 0.00 C ATOM 762 CE LYS A 52 13.332 -1.546 -7.373 1.00 0.00 C ATOM 763 NZ LYS A 52 13.375 -0.147 -7.879 1.00 0.00 N ATOM 0 H LYS A 52 9.603 -3.261 -2.201 1.00 0.00 H new ATOM 0 HA LYS A 52 10.061 -4.305 -4.876 1.00 0.00 H new ATOM 0 HB2 LYS A 52 11.804 -2.284 -3.671 1.00 0.00 H new ATOM 0 HB3 LYS A 52 12.648 -3.782 -4.012 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.229 -3.647 -6.330 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.888 -2.538 -6.127 1.00 0.00 H new ATOM 0 HD2 LYS A 52 12.302 -0.692 -5.697 1.00 0.00 H new ATOM 0 HD3 LYS A 52 13.662 -1.708 -5.260 1.00 0.00 H new ATOM 0 HE2 LYS A 52 14.331 -1.980 -7.422 1.00 0.00 H new ATOM 0 HE3 LYS A 52 12.692 -2.146 -8.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 13.731 -0.142 -8.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 12.418 0.260 -7.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 14.006 0.420 -7.278 1.00 0.00 H new ATOM 777 N SER A 53 11.202 -6.297 -3.727 1.00 0.00 N ATOM 778 CA SER A 53 11.506 -7.549 -3.028 1.00 0.00 C ATOM 779 C SER A 53 10.264 -8.131 -2.354 1.00 0.00 C ATOM 780 O SER A 53 10.363 -9.027 -1.515 1.00 0.00 O ATOM 781 CB SER A 53 12.597 -7.325 -1.981 1.00 0.00 C ATOM 782 OG SER A 53 13.882 -7.267 -2.583 1.00 0.00 O ATOM 0 H SER A 53 11.281 -6.358 -4.742 1.00 0.00 H new ATOM 0 HA SER A 53 11.858 -8.261 -3.774 1.00 0.00 H new ATOM 0 HB2 SER A 53 12.403 -6.398 -1.442 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.572 -8.131 -1.248 1.00 0.00 H new ATOM 0 HG SER A 53 14.319 -6.424 -2.340 1.00 0.00 H new ATOM 788 N GLY A 54 9.100 -7.599 -2.697 1.00 0.00 N ATOM 789 CA GLY A 54 7.872 -8.048 -2.077 1.00 0.00 C ATOM 790 C GLY A 54 7.640 -7.392 -0.732 1.00 0.00 C ATOM 791 O GLY A 54 6.648 -7.675 -0.053 1.00 0.00 O ATOM 0 H GLY A 54 8.985 -6.864 -3.394 1.00 0.00 H new ATOM 0 HA2 GLY A 54 7.032 -7.829 -2.736 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.904 -9.130 -1.951 1.00 0.00 H new ATOM 795 N MET A 55 8.531 -6.482 -0.357 1.00 0.00 N ATOM 796 CA MET A 55 8.384 -5.749 0.889 1.00 0.00 C ATOM 797 C MET A 55 8.166 -4.270 0.612 1.00 0.00 C ATOM 798 O MET A 55 8.403 -3.783 -0.493 1.00 0.00 O ATOM 799 CB MET A 55 9.595 -5.941 1.818 1.00 0.00 C ATOM 800 CG MET A 55 10.933 -6.066 1.107 1.00 0.00 C ATOM 801 SD MET A 55 11.768 -7.622 1.481 1.00 0.00 S ATOM 802 CE MET A 55 13.467 -7.068 1.620 1.00 0.00 C ATOM 0 H MET A 55 9.360 -6.236 -0.898 1.00 0.00 H new ATOM 0 HA MET A 55 7.510 -6.152 1.400 1.00 0.00 H new ATOM 0 HB2 MET A 55 9.643 -5.098 2.507 1.00 0.00 H new ATOM 0 HB3 MET A 55 9.435 -6.836 2.420 1.00 0.00 H new ATOM 0 HG2 MET A 55 10.778 -5.989 0.031 1.00 0.00 H new ATOM 0 HG3 MET A 55 11.574 -5.234 1.397 1.00 0.00 H new ATOM 0 HE1 MET A 55 14.109 -7.918 1.850 1.00 0.00 H new ATOM 0 HE2 MET A 55 13.782 -6.620 0.678 1.00 0.00 H new ATOM 0 HE3 MET A 55 13.545 -6.329 2.417 1.00 0.00 H new ATOM 812 N ILE A 56 7.725 -3.564 1.633 1.00 0.00 N ATOM 813 CA ILE A 56 7.467 -2.136 1.536 1.00 0.00 C ATOM 814 C ILE A 56 8.474 -1.376 2.386 1.00 0.00 C ATOM 815 O ILE A 56 8.820 -1.808 3.484 1.00 0.00 O ATOM 816 CB ILE A 56 6.019 -1.797 1.977 1.00 0.00 C ATOM 817 CG1 ILE A 56 5.052 -1.988 0.804 1.00 0.00 C ATOM 818 CG2 ILE A 56 5.915 -0.375 2.511 1.00 0.00 C ATOM 819 CD1 ILE A 56 4.416 -3.359 0.758 1.00 0.00 C ATOM 0 H ILE A 56 7.535 -3.960 2.553 1.00 0.00 H new ATOM 0 HA ILE A 56 7.575 -1.834 0.494 1.00 0.00 H new ATOM 0 HB ILE A 56 5.749 -2.479 2.784 1.00 0.00 H new ATOM 0 HG12 ILE A 56 4.267 -1.235 0.866 1.00 0.00 H new ATOM 0 HG13 ILE A 56 5.588 -1.814 -0.129 1.00 0.00 H new ATOM 0 HG21 ILE A 56 4.887 -0.173 2.810 1.00 0.00 H new ATOM 0 HG22 ILE A 56 6.573 -0.261 3.373 1.00 0.00 H new ATOM 0 HG23 ILE A 56 6.211 0.328 1.733 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.744 -3.420 -0.098 1.00 0.00 H new ATOM 0 HD12 ILE A 56 5.193 -4.118 0.665 1.00 0.00 H new ATOM 0 HD13 ILE A 56 3.851 -3.529 1.675 1.00 0.00 H new ATOM 830 N LEU A 57 9.010 -0.301 1.839 1.00 0.00 N ATOM 831 CA LEU A 57 10.048 0.460 2.517 1.00 0.00 C ATOM 832 C LEU A 57 9.703 1.933 2.569 1.00 0.00 C ATOM 833 O LEU A 57 8.864 2.413 1.802 1.00 0.00 O ATOM 834 CB LEU A 57 11.386 0.290 1.799 1.00 0.00 C ATOM 835 CG LEU A 57 11.652 -1.105 1.250 1.00 0.00 C ATOM 836 CD1 LEU A 57 12.490 -1.018 -0.012 1.00 0.00 C ATOM 837 CD2 LEU A 57 12.338 -1.959 2.301 1.00 0.00 C ATOM 0 H LEU A 57 8.745 0.067 0.926 1.00 0.00 H new ATOM 0 HA LEU A 57 10.122 0.078 3.535 1.00 0.00 H new ATOM 0 HB2 LEU A 57 11.432 1.002 0.975 1.00 0.00 H new ATOM 0 HB3 LEU A 57 12.187 0.550 2.490 1.00 0.00 H new ATOM 0 HG LEU A 57 10.702 -1.576 0.997 1.00 0.00 H new ATOM 0 HD11 LEU A 57 12.674 -2.021 -0.396 1.00 0.00 H new ATOM 0 HD12 LEU A 57 11.958 -0.434 -0.763 1.00 0.00 H new ATOM 0 HD13 LEU A 57 13.441 -0.536 0.215 1.00 0.00 H new ATOM 0 HD21 LEU A 57 12.523 -2.954 1.897 1.00 0.00 H new ATOM 0 HD22 LEU A 57 13.286 -1.499 2.582 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.698 -2.038 3.180 1.00 0.00 H new ATOM 849 N CYS A 58 10.473 2.663 3.361 1.00 0.00 N ATOM 850 CA CYS A 58 10.380 4.103 3.398 1.00 0.00 C ATOM 851 C CYS A 58 11.288 4.689 2.328 1.00 0.00 C ATOM 852 O CYS A 58 11.965 3.951 1.610 1.00 0.00 O ATOM 853 CB CYS A 58 10.792 4.626 4.777 1.00 0.00 C ATOM 854 SG CYS A 58 12.380 3.964 5.381 1.00 0.00 S ATOM 0 H CYS A 58 11.174 2.271 3.990 1.00 0.00 H new ATOM 0 HA CYS A 58 9.349 4.403 3.208 1.00 0.00 H new ATOM 0 HB2 CYS A 58 10.856 5.713 4.737 1.00 0.00 H new ATOM 0 HB3 CYS A 58 10.011 4.379 5.496 1.00 0.00 H new ATOM 0 HG CYS A 58 12.241 3.553 6.606 1.00 0.00 H new ATOM 859 N ARG A 59 11.402 6.004 2.315 1.00 0.00 N ATOM 860 CA ARG A 59 12.342 6.659 1.425 1.00 0.00 C ATOM 861 C ARG A 59 13.771 6.342 1.860 1.00 0.00 C ATOM 862 O ARG A 59 14.624 6.016 1.039 1.00 0.00 O ATOM 863 CB ARG A 59 12.105 8.171 1.418 1.00 0.00 C ATOM 864 CG ARG A 59 13.286 8.974 0.898 1.00 0.00 C ATOM 865 CD ARG A 59 12.957 9.650 -0.421 1.00 0.00 C ATOM 866 NE ARG A 59 14.151 10.191 -1.076 1.00 0.00 N ATOM 867 CZ ARG A 59 14.838 11.254 -0.641 1.00 0.00 C ATOM 868 NH1 ARG A 59 14.444 11.920 0.441 1.00 0.00 N ATOM 869 NH2 ARG A 59 15.919 11.656 -1.295 1.00 0.00 N ATOM 0 H ARG A 59 10.860 6.635 2.905 1.00 0.00 H new ATOM 0 HA ARG A 59 12.191 6.286 0.412 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.231 8.390 0.805 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.873 8.498 2.432 1.00 0.00 H new ATOM 0 HG2 ARG A 59 13.569 9.727 1.634 1.00 0.00 H new ATOM 0 HG3 ARG A 59 14.146 8.317 0.768 1.00 0.00 H new ATOM 0 HD2 ARG A 59 12.473 8.933 -1.085 1.00 0.00 H new ATOM 0 HD3 ARG A 59 12.243 10.455 -0.247 1.00 0.00 H new ATOM 0 HE ARG A 59 14.481 9.726 -1.921 1.00 0.00 H new ATOM 0 HH11 ARG A 59 13.611 11.622 0.948 1.00 0.00 H new ATOM 0 HH12 ARG A 59 14.975 12.729 0.764 1.00 0.00 H new ATOM 0 HH21 ARG A 59 16.226 11.155 -2.129 1.00 0.00 H new ATOM 0 HH22 ARG A 59 16.443 12.466 -0.964 1.00 0.00 H new ATOM 883 N ASN A 60 14.006 6.406 3.165 1.00 0.00 N ATOM 884 CA ASN A 60 15.325 6.142 3.729 1.00 0.00 C ATOM 885 C ASN A 60 15.730 4.681 3.550 1.00 0.00 C ATOM 886 O ASN A 60 16.867 4.383 3.175 1.00 0.00 O ATOM 887 CB ASN A 60 15.336 6.492 5.217 1.00 0.00 C ATOM 888 CG ASN A 60 16.615 7.178 5.647 1.00 0.00 C ATOM 889 OD1 ASN A 60 17.711 6.647 5.466 1.00 0.00 O ATOM 890 ND2 ASN A 60 16.483 8.360 6.229 1.00 0.00 N ATOM 0 H ASN A 60 13.295 6.640 3.857 1.00 0.00 H new ATOM 0 HA ASN A 60 16.043 6.764 3.195 1.00 0.00 H new ATOM 0 HB2 ASN A 60 14.488 7.140 5.440 1.00 0.00 H new ATOM 0 HB3 ASN A 60 15.203 5.581 5.801 1.00 0.00 H new ATOM 0 HD21 ASN A 60 17.309 8.867 6.547 1.00 0.00 H new ATOM 0 HD22 ASN A 60 15.555 8.764 6.359 1.00 0.00 H new ATOM 897 N ASP A 61 14.824 3.772 3.888 1.00 0.00 N ATOM 898 CA ASP A 61 15.131 2.344 3.860 1.00 0.00 C ATOM 899 C ASP A 61 15.311 1.843 2.436 1.00 0.00 C ATOM 900 O ASP A 61 16.089 0.925 2.198 1.00 0.00 O ATOM 901 CB ASP A 61 14.049 1.525 4.578 1.00 0.00 C ATOM 902 CG ASP A 61 14.469 1.146 5.988 1.00 0.00 C ATOM 903 OD1 ASP A 61 15.659 0.784 6.169 1.00 0.00 O ATOM 904 OD2 ASP A 61 13.638 1.168 6.933 1.00 0.00 O ATOM 0 H ASP A 61 13.874 3.995 4.184 1.00 0.00 H new ATOM 0 HA ASP A 61 16.073 2.209 4.392 1.00 0.00 H new ATOM 0 HB2 ASP A 61 13.124 2.100 4.617 1.00 0.00 H new ATOM 0 HB3 ASP A 61 13.838 0.621 4.006 1.00 0.00 H new ATOM 909 N TYR A 62 14.640 2.476 1.480 1.00 0.00 N ATOM 910 CA TYR A 62 14.781 2.079 0.084 1.00 0.00 C ATOM 911 C TYR A 62 16.215 2.272 -0.395 1.00 0.00 C ATOM 912 O TYR A 62 16.816 1.357 -0.964 1.00 0.00 O ATOM 913 CB TYR A 62 13.838 2.862 -0.830 1.00 0.00 C ATOM 914 CG TYR A 62 14.077 2.563 -2.292 1.00 0.00 C ATOM 915 CD1 TYR A 62 13.703 1.343 -2.837 1.00 0.00 C ATOM 916 CD2 TYR A 62 14.704 3.485 -3.122 1.00 0.00 C ATOM 917 CE1 TYR A 62 13.944 1.049 -4.163 1.00 0.00 C ATOM 918 CE2 TYR A 62 14.947 3.200 -4.452 1.00 0.00 C ATOM 919 CZ TYR A 62 14.565 1.979 -4.968 1.00 0.00 C ATOM 920 OH TYR A 62 14.801 1.685 -6.290 1.00 0.00 O ATOM 0 H TYR A 62 14.002 3.255 1.642 1.00 0.00 H new ATOM 0 HA TYR A 62 14.517 1.023 0.031 1.00 0.00 H new ATOM 0 HB2 TYR A 62 12.806 2.621 -0.576 1.00 0.00 H new ATOM 0 HB3 TYR A 62 13.968 3.930 -0.654 1.00 0.00 H new ATOM 0 HD1 TYR A 62 13.214 0.610 -2.212 1.00 0.00 H new ATOM 0 HD2 TYR A 62 15.007 4.441 -2.720 1.00 0.00 H new ATOM 0 HE1 TYR A 62 13.647 0.093 -4.569 1.00 0.00 H new ATOM 0 HE2 TYR A 62 15.433 3.929 -5.084 1.00 0.00 H new ATOM 0 HH TYR A 62 15.245 2.446 -6.720 1.00 0.00 H new ATOM 930 N ILE A 63 16.745 3.478 -0.210 1.00 0.00 N ATOM 931 CA ILE A 63 18.090 3.785 -0.678 1.00 0.00 C ATOM 932 C ILE A 63 19.123 2.990 0.112 1.00 0.00 C ATOM 933 O ILE A 63 20.164 2.606 -0.416 1.00 0.00 O ATOM 934 CB ILE A 63 18.428 5.293 -0.595 1.00 0.00 C ATOM 935 CG1 ILE A 63 17.153 6.144 -0.556 1.00 0.00 C ATOM 936 CG2 ILE A 63 19.303 5.699 -1.776 1.00 0.00 C ATOM 937 CD1 ILE A 63 16.499 6.335 -1.909 1.00 0.00 C ATOM 0 H ILE A 63 16.268 4.250 0.256 1.00 0.00 H new ATOM 0 HA ILE A 63 18.122 3.500 -1.730 1.00 0.00 H new ATOM 0 HB ILE A 63 18.977 5.470 0.330 1.00 0.00 H new ATOM 0 HG12 ILE A 63 16.437 5.676 0.120 1.00 0.00 H new ATOM 0 HG13 ILE A 63 17.394 7.122 -0.139 1.00 0.00 H new ATOM 0 HG21 ILE A 63 19.535 6.762 -1.708 1.00 0.00 H new ATOM 0 HG22 ILE A 63 20.228 5.123 -1.758 1.00 0.00 H new ATOM 0 HG23 ILE A 63 18.772 5.502 -2.707 1.00 0.00 H new ATOM 0 HD11 ILE A 63 15.604 6.947 -1.797 1.00 0.00 H new ATOM 0 HD12 ILE A 63 17.197 6.831 -2.583 1.00 0.00 H new ATOM 0 HD13 ILE A 63 16.225 5.364 -2.321 1.00 0.00 H new ATOM 948 N ARG A 64 18.791 2.680 1.357 1.00 0.00 N ATOM 949 CA ARG A 64 19.662 1.874 2.199 1.00 0.00 C ATOM 950 C ARG A 64 19.687 0.424 1.720 1.00 0.00 C ATOM 951 O ARG A 64 20.747 -0.198 1.654 1.00 0.00 O ATOM 952 CB ARG A 64 19.198 1.936 3.655 1.00 0.00 C ATOM 953 CG ARG A 64 20.170 2.660 4.569 1.00 0.00 C ATOM 954 CD ARG A 64 19.459 3.688 5.435 1.00 0.00 C ATOM 955 NE ARG A 64 20.402 4.460 6.245 1.00 0.00 N ATOM 956 CZ ARG A 64 20.386 4.496 7.579 1.00 0.00 C ATOM 957 NH1 ARG A 64 19.459 3.834 8.257 1.00 0.00 N ATOM 958 NH2 ARG A 64 21.300 5.202 8.235 1.00 0.00 N ATOM 0 H ARG A 64 17.924 2.975 1.806 1.00 0.00 H new ATOM 0 HA ARG A 64 20.672 2.279 2.131 1.00 0.00 H new ATOM 0 HB2 ARG A 64 18.230 2.435 3.699 1.00 0.00 H new ATOM 0 HB3 ARG A 64 19.051 0.921 4.025 1.00 0.00 H new ATOM 0 HG2 ARG A 64 20.680 1.937 5.205 1.00 0.00 H new ATOM 0 HG3 ARG A 64 20.935 3.154 3.970 1.00 0.00 H new ATOM 0 HD2 ARG A 64 18.886 4.364 4.801 1.00 0.00 H new ATOM 0 HD3 ARG A 64 18.747 3.183 6.088 1.00 0.00 H new ATOM 0 HE ARG A 64 21.116 5.004 5.760 1.00 0.00 H new ATOM 0 HH11 ARG A 64 18.752 3.293 7.759 1.00 0.00 H new ATOM 0 HH12 ARG A 64 19.453 3.866 9.276 1.00 0.00 H new ATOM 0 HH21 ARG A 64 22.014 5.717 7.719 1.00 0.00 H new ATOM 0 HH22 ARG A 64 21.288 5.230 9.255 1.00 0.00 H new ATOM 972 N LEU A 65 18.511 -0.116 1.428 1.00 0.00 N ATOM 973 CA LEU A 65 18.380 -1.509 1.020 1.00 0.00 C ATOM 974 C LEU A 65 18.890 -1.732 -0.400 1.00 0.00 C ATOM 975 O LEU A 65 19.760 -2.575 -0.631 1.00 0.00 O ATOM 976 CB LEU A 65 16.915 -1.950 1.111 1.00 0.00 C ATOM 977 CG LEU A 65 16.589 -2.926 2.241 1.00 0.00 C ATOM 978 CD1 LEU A 65 16.412 -2.182 3.555 1.00 0.00 C ATOM 979 CD2 LEU A 65 15.341 -3.726 1.908 1.00 0.00 C ATOM 0 H LEU A 65 17.628 0.394 1.467 1.00 0.00 H new ATOM 0 HA LEU A 65 18.989 -2.107 1.698 1.00 0.00 H new ATOM 0 HB2 LEU A 65 16.294 -1.062 1.231 1.00 0.00 H new ATOM 0 HB3 LEU A 65 16.633 -2.411 0.164 1.00 0.00 H new ATOM 0 HG LEU A 65 17.424 -3.619 2.350 1.00 0.00 H new ATOM 0 HD11 LEU A 65 16.180 -2.893 4.348 1.00 0.00 H new ATOM 0 HD12 LEU A 65 17.333 -1.653 3.800 1.00 0.00 H new ATOM 0 HD13 LEU A 65 15.596 -1.466 3.461 1.00 0.00 H new ATOM 0 HD21 LEU A 65 15.123 -4.416 2.723 1.00 0.00 H new ATOM 0 HD22 LEU A 65 14.499 -3.047 1.772 1.00 0.00 H new ATOM 0 HD23 LEU A 65 15.504 -4.289 0.989 1.00 0.00 H new ATOM 991 N PHE A 66 18.270 -1.060 -1.360 1.00 0.00 N ATOM 992 CA PHE A 66 18.573 -1.289 -2.768 1.00 0.00 C ATOM 993 C PHE A 66 19.328 -0.116 -3.377 1.00 0.00 C ATOM 994 O PHE A 66 20.273 -0.308 -4.144 1.00 0.00 O ATOM 995 CB PHE A 66 17.281 -1.547 -3.549 1.00 0.00 C ATOM 996 CG PHE A 66 16.380 -2.547 -2.887 1.00 0.00 C ATOM 997 CD1 PHE A 66 16.825 -3.831 -2.628 1.00 0.00 C ATOM 998 CD2 PHE A 66 15.095 -2.198 -2.508 1.00 0.00 C ATOM 999 CE1 PHE A 66 16.007 -4.749 -2.002 1.00 0.00 C ATOM 1000 CE2 PHE A 66 14.271 -3.114 -1.885 1.00 0.00 C ATOM 1001 CZ PHE A 66 14.727 -4.389 -1.630 1.00 0.00 C ATOM 0 H PHE A 66 17.555 -0.353 -1.191 1.00 0.00 H new ATOM 0 HA PHE A 66 19.215 -2.167 -2.832 1.00 0.00 H new ATOM 0 HB2 PHE A 66 16.743 -0.607 -3.669 1.00 0.00 H new ATOM 0 HB3 PHE A 66 17.533 -1.901 -4.549 1.00 0.00 H new ATOM 0 HD1 PHE A 66 17.825 -4.118 -2.919 1.00 0.00 H new ATOM 0 HD2 PHE A 66 14.733 -1.199 -2.702 1.00 0.00 H new ATOM 0 HE1 PHE A 66 16.367 -5.748 -1.803 1.00 0.00 H new ATOM 0 HE2 PHE A 66 13.269 -2.831 -1.598 1.00 0.00 H new ATOM 0 HZ PHE A 66 14.084 -5.105 -1.140 1.00 0.00 H new ATOM 1011 N GLY A 67 18.924 1.093 -3.028 1.00 0.00 N ATOM 1012 CA GLY A 67 19.594 2.265 -3.550 1.00 0.00 C ATOM 1013 C GLY A 67 18.873 2.864 -4.736 1.00 0.00 C ATOM 1014 O GLY A 67 18.173 2.161 -5.468 1.00 0.00 O ATOM 0 H GLY A 67 18.147 1.285 -2.395 1.00 0.00 H new ATOM 0 HA2 GLY A 67 19.675 3.014 -2.762 1.00 0.00 H new ATOM 0 HA3 GLY A 67 20.610 1.999 -3.843 1.00 0.00 H new ATOM 1424 N GLU A 102 9.941 8.888 -3.721 1.00 0.00 N ATOM 1425 CA GLU A 102 8.548 8.495 -3.526 1.00 0.00 C ATOM 1426 C GLU A 102 7.695 8.705 -4.773 1.00 0.00 C ATOM 1427 O GLU A 102 7.670 9.791 -5.357 1.00 0.00 O ATOM 1428 CB GLU A 102 7.957 9.282 -2.356 1.00 0.00 C ATOM 1429 CG GLU A 102 9.002 9.962 -1.485 1.00 0.00 C ATOM 1430 CD GLU A 102 9.301 11.382 -1.919 1.00 0.00 C ATOM 1431 OE1 GLU A 102 9.955 11.559 -2.966 1.00 0.00 O ATOM 1432 OE2 GLU A 102 8.900 12.321 -1.202 1.00 0.00 O ATOM 0 HA GLU A 102 8.539 7.427 -3.311 1.00 0.00 H new ATOM 0 HB2 GLU A 102 7.275 10.037 -2.746 1.00 0.00 H new ATOM 0 HB3 GLU A 102 7.365 8.607 -1.738 1.00 0.00 H new ATOM 0 HG2 GLU A 102 8.657 9.969 -0.451 1.00 0.00 H new ATOM 0 HG3 GLU A 102 9.923 9.379 -1.509 1.00 0.00 H new ATOM 1439 N ARG A 103 6.983 7.652 -5.153 1.00 0.00 N ATOM 1440 CA ARG A 103 6.116 7.676 -6.325 1.00 0.00 C ATOM 1441 C ARG A 103 5.088 6.549 -6.242 1.00 0.00 C ATOM 1442 O ARG A 103 4.588 6.066 -7.258 1.00 0.00 O ATOM 1443 CB ARG A 103 6.953 7.524 -7.600 1.00 0.00 C ATOM 1444 CG ARG A 103 6.284 8.080 -8.844 1.00 0.00 C ATOM 1445 CD ARG A 103 6.006 6.984 -9.858 1.00 0.00 C ATOM 1446 NE ARG A 103 4.986 7.376 -10.827 1.00 0.00 N ATOM 1447 CZ ARG A 103 3.689 7.097 -10.705 1.00 0.00 C ATOM 1448 NH1 ARG A 103 3.243 6.431 -9.646 1.00 0.00 N ATOM 1449 NH2 ARG A 103 2.838 7.499 -11.640 1.00 0.00 N ATOM 0 H ARG A 103 6.990 6.759 -4.659 1.00 0.00 H new ATOM 0 HA ARG A 103 5.592 8.631 -6.354 1.00 0.00 H new ATOM 0 HB2 ARG A 103 7.909 8.028 -7.458 1.00 0.00 H new ATOM 0 HB3 ARG A 103 7.170 6.467 -7.757 1.00 0.00 H new ATOM 0 HG2 ARG A 103 5.350 8.569 -8.569 1.00 0.00 H new ATOM 0 HG3 ARG A 103 6.922 8.841 -9.293 1.00 0.00 H new ATOM 0 HD2 ARG A 103 6.928 6.735 -10.384 1.00 0.00 H new ATOM 0 HD3 ARG A 103 5.683 6.083 -9.337 1.00 0.00 H new ATOM 0 HE ARG A 103 5.286 7.897 -11.651 1.00 0.00 H new ATOM 0 HH11 ARG A 103 3.895 6.130 -8.921 1.00 0.00 H new ATOM 0 HH12 ARG A 103 2.249 6.220 -9.558 1.00 0.00 H new ATOM 0 HH21 ARG A 103 3.177 8.020 -12.449 1.00 0.00 H new ATOM 0 HH22 ARG A 103 1.844 7.287 -11.550 1.00 0.00 H new ATOM 1463 N LEU A 104 4.814 6.097 -5.030 1.00 0.00 N ATOM 1464 CA LEU A 104 3.894 4.987 -4.832 1.00 0.00 C ATOM 1465 C LEU A 104 2.623 5.446 -4.132 1.00 0.00 C ATOM 1466 O LEU A 104 1.536 4.938 -4.410 1.00 0.00 O ATOM 1467 CB LEU A 104 4.568 3.876 -4.021 1.00 0.00 C ATOM 1468 CG LEU A 104 3.981 2.480 -4.220 1.00 0.00 C ATOM 1469 CD1 LEU A 104 4.988 1.574 -4.908 1.00 0.00 C ATOM 1470 CD2 LEU A 104 3.552 1.888 -2.886 1.00 0.00 C ATOM 0 H LEU A 104 5.212 6.478 -4.172 1.00 0.00 H new ATOM 0 HA LEU A 104 3.622 4.597 -5.813 1.00 0.00 H new ATOM 0 HB2 LEU A 104 5.626 3.849 -4.281 1.00 0.00 H new ATOM 0 HB3 LEU A 104 4.506 4.131 -2.963 1.00 0.00 H new ATOM 0 HG LEU A 104 3.101 2.562 -4.858 1.00 0.00 H new ATOM 0 HD11 LEU A 104 4.554 0.583 -5.042 1.00 0.00 H new ATOM 0 HD12 LEU A 104 5.248 1.991 -5.881 1.00 0.00 H new ATOM 0 HD13 LEU A 104 5.886 1.497 -4.295 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.136 0.893 -3.046 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.415 1.818 -2.224 1.00 0.00 H new ATOM 0 HD23 LEU A 104 2.797 2.528 -2.430 1.00 0.00 H new ATOM 1482 N ILE A 105 2.760 6.379 -3.202 1.00 0.00 N ATOM 1483 CA ILE A 105 1.613 6.861 -2.451 1.00 0.00 C ATOM 1484 C ILE A 105 0.690 7.700 -3.332 1.00 0.00 C ATOM 1485 O ILE A 105 1.066 8.769 -3.821 1.00 0.00 O ATOM 1486 CB ILE A 105 2.036 7.675 -1.200 1.00 0.00 C ATOM 1487 CG1 ILE A 105 2.282 6.733 -0.022 1.00 0.00 C ATOM 1488 CG2 ILE A 105 0.980 8.713 -0.836 1.00 0.00 C ATOM 1489 CD1 ILE A 105 2.353 7.423 1.323 1.00 0.00 C ATOM 0 H ILE A 105 3.648 6.814 -2.951 1.00 0.00 H new ATOM 0 HA ILE A 105 1.070 5.980 -2.110 1.00 0.00 H new ATOM 0 HB ILE A 105 2.960 8.204 -1.433 1.00 0.00 H new ATOM 0 HG12 ILE A 105 1.486 5.989 0.006 1.00 0.00 H new ATOM 0 HG13 ILE A 105 3.215 6.195 -0.191 1.00 0.00 H new ATOM 0 HG21 ILE A 105 1.304 9.268 0.044 1.00 0.00 H new ATOM 0 HG22 ILE A 105 0.844 9.402 -1.670 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.036 8.212 -0.622 1.00 0.00 H new ATOM 0 HD11 ILE A 105 2.530 6.682 2.103 1.00 0.00 H new ATOM 0 HD12 ILE A 105 3.168 8.147 1.318 1.00 0.00 H new ATOM 0 HD13 ILE A 105 1.412 7.938 1.518 1.00 0.00 H new ATOM 1500 N THR A 106 -0.539 7.239 -3.457 1.00 0.00 N ATOM 1501 CA THR A 106 -1.577 7.980 -4.137 1.00 0.00 C ATOM 1502 C THR A 106 -2.602 8.434 -3.106 1.00 0.00 C ATOM 1503 O THR A 106 -3.449 7.650 -2.670 1.00 0.00 O ATOM 1504 CB THR A 106 -2.247 7.117 -5.229 1.00 0.00 C ATOM 1505 OG1 THR A 106 -1.302 6.834 -6.269 1.00 0.00 O ATOM 1506 CG2 THR A 106 -3.474 7.797 -5.820 1.00 0.00 C ATOM 0 H THR A 106 -0.844 6.338 -3.088 1.00 0.00 H new ATOM 0 HA THR A 106 -1.141 8.848 -4.631 1.00 0.00 H new ATOM 0 HB THR A 106 -2.577 6.189 -4.762 1.00 0.00 H new ATOM 0 HG1 THR A 106 -1.730 6.285 -6.959 1.00 0.00 H new ATOM 0 HG21 THR A 106 -3.913 7.155 -6.584 1.00 0.00 H new ATOM 0 HG22 THR A 106 -4.205 7.977 -5.032 1.00 0.00 H new ATOM 0 HG23 THR A 106 -3.183 8.747 -6.268 1.00 0.00 H new ATOM 1514 N ARG A 107 -2.372 9.618 -2.555 1.00 0.00 N ATOM 1515 CA ARG A 107 -3.173 10.105 -1.443 1.00 0.00 C ATOM 1516 C ARG A 107 -4.549 10.547 -1.911 1.00 0.00 C ATOM 1517 O ARG A 107 -4.678 11.455 -2.732 1.00 0.00 O ATOM 1518 CB ARG A 107 -2.462 11.259 -0.739 1.00 0.00 C ATOM 1519 CG ARG A 107 -2.268 11.029 0.751 1.00 0.00 C ATOM 1520 CD ARG A 107 -3.587 11.101 1.505 1.00 0.00 C ATOM 1521 NE ARG A 107 -3.384 11.345 2.930 1.00 0.00 N ATOM 1522 CZ ARG A 107 -3.480 10.408 3.870 1.00 0.00 C ATOM 1523 NH1 ARG A 107 -3.866 9.177 3.553 1.00 0.00 N ATOM 1524 NH2 ARG A 107 -3.214 10.716 5.133 1.00 0.00 N ATOM 0 H ARG A 107 -1.638 10.257 -2.860 1.00 0.00 H new ATOM 0 HA ARG A 107 -3.300 9.284 -0.737 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -1.489 11.415 -1.205 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -3.036 12.174 -0.886 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -1.809 10.054 0.912 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -1.580 11.775 1.148 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -4.203 11.896 1.084 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -4.134 10.168 1.370 1.00 0.00 H new ATOM 0 HE ARG A 107 -3.154 12.294 3.224 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -4.090 8.946 2.585 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -3.938 8.463 4.277 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -2.938 11.667 5.379 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -3.286 10.002 5.858 1.00 0.00 H new ATOM 1538 N LEU A 108 -5.569 9.892 -1.389 1.00 0.00 N ATOM 1539 CA LEU A 108 -6.937 10.202 -1.745 1.00 0.00 C ATOM 1540 C LEU A 108 -7.840 10.021 -0.538 1.00 0.00 C ATOM 1541 O LEU A 108 -7.866 8.955 0.065 1.00 0.00 O ATOM 1542 CB LEU A 108 -7.408 9.291 -2.880 1.00 0.00 C ATOM 1543 CG LEU A 108 -7.636 9.985 -4.224 1.00 0.00 C ATOM 1544 CD1 LEU A 108 -6.819 9.313 -5.317 1.00 0.00 C ATOM 1545 CD2 LEU A 108 -9.113 9.974 -4.581 1.00 0.00 C ATOM 0 H LEU A 108 -5.472 9.136 -0.711 1.00 0.00 H new ATOM 0 HA LEU A 108 -6.985 11.239 -2.079 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -6.671 8.500 -3.019 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -8.338 8.810 -2.576 1.00 0.00 H new ATOM 0 HG LEU A 108 -7.308 11.021 -4.138 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -6.994 9.820 -6.266 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -5.760 9.368 -5.066 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -7.117 8.268 -5.404 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -9.259 10.471 -5.540 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -9.463 8.944 -4.649 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -9.678 10.499 -3.810 1.00 0.00 H new ATOM 1557 N GLU A 109 -8.580 11.057 -0.192 1.00 0.00 N ATOM 1558 CA GLU A 109 -9.519 10.968 0.908 1.00 0.00 C ATOM 1559 C GLU A 109 -10.863 10.457 0.397 1.00 0.00 C ATOM 1560 O GLU A 109 -11.080 10.377 -0.815 1.00 0.00 O ATOM 1561 CB GLU A 109 -9.655 12.322 1.618 1.00 0.00 C ATOM 1562 CG GLU A 109 -10.628 13.287 0.966 1.00 0.00 C ATOM 1563 CD GLU A 109 -11.670 13.795 1.938 1.00 0.00 C ATOM 1564 OE1 GLU A 109 -12.663 13.078 2.172 1.00 0.00 O ATOM 1565 OE2 GLU A 109 -11.500 14.914 2.470 1.00 0.00 O ATOM 0 H GLU A 109 -8.549 11.966 -0.655 1.00 0.00 H new ATOM 0 HA GLU A 109 -9.144 10.258 1.645 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -9.972 12.147 2.646 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -8.673 12.793 1.663 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -10.077 14.132 0.553 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -11.124 12.791 0.131 1.00 0.00 H new