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 35 CYS SG : rot 148:sc= 1.26 USER MOD Set 1.2: A 37 SER OG : rot 95:sc= 1 USER MOD Set 1.3: A 38 CYS SG : rot -54:sc= -1.34! USER MOD Set 1.4: A 58 CYS SG : rot -128:sc= -2.41! USER MOD Set 2.1: A 8 CYS SG : rot 163:sc= -0.625! USER MOD Set 2.2: A 11 CYS SG : rot -55:sc= 1.28 USER MOD Set 2.3: A 29 HIS : no HD1:sc= 0.218 K(o=-3.1,f=-6.4) USER MOD Set 2.4: A 32 CYS SG : rot 144:sc= -3.95! USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= -0.917 USER MOD Single : A 24 MET CE :methyl -131:sc= -0.736 (180deg=-1.8!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 129:sc= -0.47 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0.189 X(o=0.19,f=0) USER MOD Single : A 41 GLN : amide:sc= -0.315 K(o=-0.32,f=-6.5!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.0727 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 130:sc= -1.62! USER MOD Single : A 50 TYR OH : rot 130:sc= -0.951 USER MOD Single : A 51 THR OG1 : rot -86:sc= 0.849 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -170:sc= -0.0132 USER MOD Single : A 55 MET CE :methyl -174:sc= -1.24 (180deg=-1.34) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 62 TYR OH : rot 15:sc= 0.472 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 97 N ARG A 7 -9.826 -3.736 -0.615 1.00 0.00 N ATOM 98 CA ARG A 7 -9.463 -3.979 0.770 1.00 0.00 C ATOM 99 C ARG A 7 -8.056 -3.471 1.044 1.00 0.00 C ATOM 100 O ARG A 7 -7.264 -3.282 0.120 1.00 0.00 O ATOM 101 CB ARG A 7 -9.559 -5.474 1.092 1.00 0.00 C ATOM 102 CG ARG A 7 -8.564 -6.328 0.325 1.00 0.00 C ATOM 103 CD ARG A 7 -7.388 -6.730 1.198 1.00 0.00 C ATOM 104 NE ARG A 7 -7.816 -7.250 2.493 1.00 0.00 N ATOM 105 CZ ARG A 7 -7.084 -8.082 3.231 1.00 0.00 C ATOM 106 NH1 ARG A 7 -5.837 -8.366 2.875 1.00 0.00 N ATOM 107 NH2 ARG A 7 -7.586 -8.614 4.338 1.00 0.00 N ATOM 0 HA ARG A 7 -10.160 -3.439 1.411 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -9.400 -5.618 2.161 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -10.569 -5.820 0.871 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -9.063 -7.222 -0.050 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -8.203 -5.777 -0.543 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -6.796 -7.486 0.682 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -6.739 -5.867 1.351 1.00 0.00 H new ATOM 0 HE ARG A 7 -8.726 -6.960 2.852 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -5.438 -7.947 2.035 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -5.278 -9.004 3.441 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -8.537 -8.386 4.627 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -7.021 -9.251 4.900 1.00 0.00 H new ATOM 121 N CYS A 8 -7.745 -3.295 2.315 1.00 0.00 N ATOM 122 CA CYS A 8 -6.432 -2.869 2.736 1.00 0.00 C ATOM 123 C CYS A 8 -5.484 -4.057 2.796 1.00 0.00 C ATOM 124 O CYS A 8 -5.765 -5.058 3.458 1.00 0.00 O ATOM 125 CB CYS A 8 -6.524 -2.211 4.104 1.00 0.00 C ATOM 126 SG CYS A 8 -4.941 -1.608 4.761 1.00 0.00 S ATOM 0 H CYS A 8 -8.400 -3.445 3.082 1.00 0.00 H new ATOM 0 HA CYS A 8 -6.045 -2.151 2.014 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -7.220 -1.374 4.044 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -6.946 -2.927 4.809 1.00 0.00 H new ATOM 0 HG CYS A 8 -5.164 -0.762 5.723 1.00 0.00 H new ATOM 131 N ALA A 9 -4.341 -3.916 2.154 1.00 0.00 N ATOM 132 CA ALA A 9 -3.321 -4.950 2.181 1.00 0.00 C ATOM 133 C ALA A 9 -2.332 -4.686 3.311 1.00 0.00 C ATOM 134 O ALA A 9 -1.370 -5.434 3.500 1.00 0.00 O ATOM 135 CB ALA A 9 -2.600 -5.014 0.841 1.00 0.00 C ATOM 0 H ALA A 9 -4.093 -3.093 1.605 1.00 0.00 H new ATOM 0 HA ALA A 9 -3.800 -5.912 2.361 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -1.838 -5.793 0.875 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.317 -5.242 0.052 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.128 -4.053 0.636 1.00 0.00 H new ATOM 141 N GLY A 10 -2.567 -3.603 4.044 1.00 0.00 N ATOM 142 CA GLY A 10 -1.673 -3.218 5.114 1.00 0.00 C ATOM 143 C GLY A 10 -1.924 -3.985 6.393 1.00 0.00 C ATOM 144 O GLY A 10 -1.047 -4.709 6.869 1.00 0.00 O ATOM 0 H GLY A 10 -3.366 -2.983 3.913 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -0.643 -3.378 4.796 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.784 -2.151 5.308 1.00 0.00 H new ATOM 148 N CYS A 11 -3.120 -3.846 6.945 1.00 0.00 N ATOM 149 CA CYS A 11 -3.461 -4.542 8.172 1.00 0.00 C ATOM 150 C CYS A 11 -3.947 -5.949 7.856 1.00 0.00 C ATOM 151 O CYS A 11 -3.168 -6.904 7.860 1.00 0.00 O ATOM 152 CB CYS A 11 -4.525 -3.762 8.955 1.00 0.00 C ATOM 153 SG CYS A 11 -5.932 -3.178 7.955 1.00 0.00 S ATOM 0 H CYS A 11 -3.864 -3.262 6.565 1.00 0.00 H new ATOM 0 HA CYS A 11 -2.569 -4.615 8.794 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.905 -4.396 9.756 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.051 -2.902 9.427 1.00 0.00 H new ATOM 0 HG CYS A 11 -5.491 -2.476 6.954 1.00 0.00 H new ATOM 158 N GLY A 12 -5.214 -6.053 7.493 1.00 0.00 N ATOM 159 CA GLY A 12 -5.764 -7.329 7.105 1.00 0.00 C ATOM 160 C GLY A 12 -7.272 -7.379 7.207 1.00 0.00 C ATOM 161 O GLY A 12 -7.828 -8.348 7.717 1.00 0.00 O ATOM 0 H GLY A 12 -5.871 -5.274 7.461 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -5.467 -7.549 6.080 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -5.337 -8.109 7.735 1.00 0.00 H new ATOM 165 N GLY A 13 -7.941 -6.376 6.656 1.00 0.00 N ATOM 166 CA GLY A 13 -9.375 -6.378 6.639 1.00 0.00 C ATOM 167 C GLY A 13 -9.915 -5.473 5.564 1.00 0.00 C ATOM 168 O GLY A 13 -9.284 -5.278 4.523 1.00 0.00 O ATOM 0 H GLY A 13 -7.507 -5.562 6.221 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -9.737 -7.393 6.477 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -9.752 -6.057 7.610 1.00 0.00 H new ATOM 172 N LYS A 14 -11.049 -4.883 5.844 1.00 0.00 N ATOM 173 CA LYS A 14 -11.681 -3.949 4.932 1.00 0.00 C ATOM 174 C LYS A 14 -11.407 -2.521 5.370 1.00 0.00 C ATOM 175 O LYS A 14 -11.235 -2.247 6.562 1.00 0.00 O ATOM 176 CB LYS A 14 -13.187 -4.204 4.869 1.00 0.00 C ATOM 177 CG LYS A 14 -13.584 -5.243 3.833 1.00 0.00 C ATOM 178 CD LYS A 14 -13.793 -6.612 4.462 1.00 0.00 C ATOM 179 CE LYS A 14 -13.909 -7.696 3.402 1.00 0.00 C ATOM 180 NZ LYS A 14 -15.104 -8.553 3.617 1.00 0.00 N ATOM 0 H LYS A 14 -11.565 -5.033 6.711 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.262 -4.096 3.937 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -13.533 -4.530 5.850 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -13.697 -3.267 4.646 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -14.500 -4.928 3.334 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -12.811 -5.308 3.068 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -12.961 -6.839 5.128 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -14.696 -6.600 5.073 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -13.965 -7.235 2.416 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -13.011 -8.314 3.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -15.148 -9.280 2.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -15.039 -9.013 4.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -15.963 -7.967 3.580 1.00 0.00 H new ATOM 194 N ILE A 15 -11.369 -1.612 4.413 1.00 0.00 N ATOM 195 CA ILE A 15 -11.127 -0.214 4.711 1.00 0.00 C ATOM 196 C ILE A 15 -12.433 0.482 5.065 1.00 0.00 C ATOM 197 O ILE A 15 -13.148 0.989 4.197 1.00 0.00 O ATOM 198 CB ILE A 15 -10.448 0.514 3.537 1.00 0.00 C ATOM 199 CG1 ILE A 15 -9.448 -0.421 2.844 1.00 0.00 C ATOM 200 CG2 ILE A 15 -9.765 1.782 4.034 1.00 0.00 C ATOM 201 CD1 ILE A 15 -8.423 0.292 1.992 1.00 0.00 C ATOM 0 H ILE A 15 -11.503 -1.818 3.423 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.450 -0.175 5.564 1.00 0.00 H new ATOM 0 HB ILE A 15 -11.204 0.801 2.806 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -8.929 -1.007 3.603 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -9.998 -1.124 2.219 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -9.287 2.290 3.196 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -10.506 2.442 4.484 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -9.012 1.522 4.778 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.755 -0.440 1.538 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -8.930 0.856 1.209 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.844 0.975 2.614 1.00 0.00 H new ATOM 212 N ALA A 16 -12.754 0.460 6.347 1.00 0.00 N ATOM 213 CA ALA A 16 -13.989 1.041 6.842 1.00 0.00 C ATOM 214 C ALA A 16 -13.729 2.414 7.445 1.00 0.00 C ATOM 215 O ALA A 16 -14.578 2.979 8.133 1.00 0.00 O ATOM 216 CB ALA A 16 -14.618 0.115 7.869 1.00 0.00 C ATOM 0 H ALA A 16 -12.169 0.041 7.070 1.00 0.00 H new ATOM 0 HA ALA A 16 -14.681 1.164 6.009 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -15.544 0.556 8.237 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -14.833 -0.848 7.407 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -13.928 -0.028 8.701 1.00 0.00 H new ATOM 222 N ASP A 17 -12.543 2.938 7.195 1.00 0.00 N ATOM 223 CA ASP A 17 -12.159 4.237 7.719 1.00 0.00 C ATOM 224 C ASP A 17 -12.307 5.303 6.649 1.00 0.00 C ATOM 225 O ASP A 17 -12.341 4.994 5.456 1.00 0.00 O ATOM 226 CB ASP A 17 -10.719 4.201 8.227 1.00 0.00 C ATOM 227 CG ASP A 17 -10.641 4.030 9.729 1.00 0.00 C ATOM 228 OD1 ASP A 17 -10.900 5.008 10.461 1.00 0.00 O ATOM 229 OD2 ASP A 17 -10.307 2.918 10.186 1.00 0.00 O ATOM 0 H ASP A 17 -11.826 2.482 6.630 1.00 0.00 H new ATOM 0 HA ASP A 17 -12.819 4.482 8.552 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -10.186 3.383 7.743 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.213 5.124 7.942 1.00 0.00 H new ATOM 234 N ARG A 18 -12.403 6.554 7.075 1.00 0.00 N ATOM 235 CA ARG A 18 -12.565 7.667 6.148 1.00 0.00 C ATOM 236 C ARG A 18 -11.206 8.192 5.690 1.00 0.00 C ATOM 237 O ARG A 18 -11.118 8.990 4.759 1.00 0.00 O ATOM 238 CB ARG A 18 -13.389 8.788 6.795 1.00 0.00 C ATOM 239 CG ARG A 18 -12.592 9.680 7.732 1.00 0.00 C ATOM 240 CD ARG A 18 -13.272 9.840 9.082 1.00 0.00 C ATOM 241 NE ARG A 18 -14.726 9.935 8.968 1.00 0.00 N ATOM 242 CZ ARG A 18 -15.577 9.024 9.445 1.00 0.00 C ATOM 243 NH1 ARG A 18 -15.126 7.903 9.995 1.00 0.00 N ATOM 244 NH2 ARG A 18 -16.885 9.226 9.353 1.00 0.00 N ATOM 0 H ARG A 18 -12.372 6.825 8.058 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.102 7.307 5.271 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -13.826 9.403 6.009 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -14.216 8.344 7.349 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -11.597 9.258 7.875 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -12.460 10.660 7.274 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -13.015 8.992 9.717 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -12.890 10.735 9.574 1.00 0.00 H new ATOM 0 HE ARG A 18 -15.115 10.750 8.494 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -14.122 7.733 10.056 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -15.783 7.212 10.357 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -17.240 10.077 8.918 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -17.535 8.530 9.717 1.00 0.00 H new ATOM 258 N PHE A 19 -10.149 7.697 6.313 1.00 0.00 N ATOM 259 CA PHE A 19 -8.794 8.059 5.929 1.00 0.00 C ATOM 260 C PHE A 19 -8.070 6.825 5.409 1.00 0.00 C ATOM 261 O PHE A 19 -7.930 5.830 6.124 1.00 0.00 O ATOM 262 CB PHE A 19 -8.036 8.659 7.119 1.00 0.00 C ATOM 263 CG PHE A 19 -8.201 10.148 7.268 1.00 0.00 C ATOM 264 CD1 PHE A 19 -9.427 10.752 7.044 1.00 0.00 C ATOM 265 CD2 PHE A 19 -7.130 10.942 7.646 1.00 0.00 C ATOM 266 CE1 PHE A 19 -9.583 12.117 7.191 1.00 0.00 C ATOM 267 CE2 PHE A 19 -7.279 12.309 7.792 1.00 0.00 C ATOM 268 CZ PHE A 19 -8.509 12.896 7.565 1.00 0.00 C ATOM 0 H PHE A 19 -10.204 7.040 7.091 1.00 0.00 H new ATOM 0 HA PHE A 19 -8.837 8.812 5.142 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -8.376 8.174 8.034 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -6.975 8.431 7.012 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -10.273 10.148 6.750 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -6.167 10.488 7.829 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -10.546 12.573 7.013 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -6.435 12.917 8.083 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.629 13.963 7.680 1.00 0.00 H new ATOM 278 N LEU A 20 -7.707 6.853 4.137 1.00 0.00 N ATOM 279 CA LEU A 20 -7.082 5.708 3.506 1.00 0.00 C ATOM 280 C LEU A 20 -6.063 6.155 2.466 1.00 0.00 C ATOM 281 O LEU A 20 -5.966 7.342 2.145 1.00 0.00 O ATOM 282 CB LEU A 20 -8.154 4.815 2.866 1.00 0.00 C ATOM 283 CG LEU A 20 -8.353 5.000 1.360 1.00 0.00 C ATOM 284 CD1 LEU A 20 -8.739 3.682 0.709 1.00 0.00 C ATOM 285 CD2 LEU A 20 -9.406 6.060 1.088 1.00 0.00 C ATOM 0 H LEU A 20 -7.836 7.657 3.523 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.554 5.133 4.267 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -7.894 3.773 3.055 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -9.104 5.003 3.366 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.411 5.334 0.926 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.877 3.832 -0.362 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.949 2.949 0.874 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -9.669 3.318 1.147 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -9.534 6.178 0.012 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -10.352 5.756 1.535 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -9.088 7.008 1.522 1.00 0.00 H new ATOM 297 N LEU A 21 -5.333 5.196 1.923 1.00 0.00 N ATOM 298 CA LEU A 21 -4.337 5.472 0.906 1.00 0.00 C ATOM 299 C LEU A 21 -4.438 4.458 -0.227 1.00 0.00 C ATOM 300 O LEU A 21 -4.681 3.277 0.003 1.00 0.00 O ATOM 301 CB LEU A 21 -2.940 5.435 1.517 1.00 0.00 C ATOM 302 CG LEU A 21 -1.985 6.505 0.995 1.00 0.00 C ATOM 303 CD1 LEU A 21 -1.061 6.983 2.103 1.00 0.00 C ATOM 304 CD2 LEU A 21 -1.185 5.967 -0.177 1.00 0.00 C ATOM 0 H LEU A 21 -5.414 4.211 2.174 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.521 6.467 0.501 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.028 5.543 2.598 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.502 4.454 1.329 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.571 7.357 0.651 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.388 7.746 1.712 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.654 7.405 2.915 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.478 6.142 2.479 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.508 6.740 -0.540 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.608 5.100 0.144 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.864 5.674 -0.978 1.00 0.00 H new ATOM 316 N TYR A 22 -4.187 4.920 -1.436 1.00 0.00 N ATOM 317 CA TYR A 22 -4.150 4.055 -2.604 1.00 0.00 C ATOM 318 C TYR A 22 -2.732 4.037 -3.159 1.00 0.00 C ATOM 319 O TYR A 22 -2.169 5.092 -3.454 1.00 0.00 O ATOM 320 CB TYR A 22 -5.111 4.548 -3.694 1.00 0.00 C ATOM 321 CG TYR A 22 -6.482 4.989 -3.213 1.00 0.00 C ATOM 322 CD1 TYR A 22 -6.721 6.298 -2.809 1.00 0.00 C ATOM 323 CD2 TYR A 22 -7.549 4.107 -3.211 1.00 0.00 C ATOM 324 CE1 TYR A 22 -7.979 6.708 -2.419 1.00 0.00 C ATOM 325 CE2 TYR A 22 -8.811 4.507 -2.816 1.00 0.00 C ATOM 326 CZ TYR A 22 -9.022 5.808 -2.424 1.00 0.00 C ATOM 327 OH TYR A 22 -10.283 6.210 -2.043 1.00 0.00 O ATOM 0 H TYR A 22 -4.003 5.903 -1.639 1.00 0.00 H new ATOM 0 HA TYR A 22 -4.459 3.054 -2.304 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -4.643 5.383 -4.215 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -5.242 3.750 -4.425 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -5.906 7.007 -2.800 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -7.392 3.086 -3.525 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -8.145 7.730 -2.111 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -9.628 3.801 -2.815 1.00 0.00 H new ATOM 0 HH TYR A 22 -10.901 5.452 -2.106 1.00 0.00 H new ATOM 337 N ALA A 23 -2.123 2.864 -3.230 1.00 0.00 N ATOM 338 CA ALA A 23 -0.743 2.764 -3.685 1.00 0.00 C ATOM 339 C ALA A 23 -0.457 1.412 -4.325 1.00 0.00 C ATOM 340 O ALA A 23 -0.795 0.369 -3.764 1.00 0.00 O ATOM 341 CB ALA A 23 0.209 3.015 -2.524 1.00 0.00 C ATOM 0 H ALA A 23 -2.556 1.975 -2.981 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.587 3.526 -4.448 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.238 2.938 -2.874 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.036 4.013 -2.121 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.035 2.274 -1.744 1.00 0.00 H new ATOM 347 N MET A 24 0.193 1.448 -5.489 1.00 0.00 N ATOM 348 CA MET A 24 0.577 0.240 -6.225 1.00 0.00 C ATOM 349 C MET A 24 -0.653 -0.575 -6.620 1.00 0.00 C ATOM 350 O MET A 24 -0.640 -1.806 -6.561 1.00 0.00 O ATOM 351 CB MET A 24 1.540 -0.620 -5.393 1.00 0.00 C ATOM 352 CG MET A 24 2.979 -0.128 -5.420 1.00 0.00 C ATOM 353 SD MET A 24 3.872 -0.479 -3.887 1.00 0.00 S ATOM 354 CE MET A 24 2.853 0.379 -2.689 1.00 0.00 C ATOM 0 H MET A 24 0.469 2.315 -5.949 1.00 0.00 H new ATOM 0 HA MET A 24 1.088 0.552 -7.136 1.00 0.00 H new ATOM 0 HB2 MET A 24 1.193 -0.643 -4.360 1.00 0.00 H new ATOM 0 HB3 MET A 24 1.509 -1.645 -5.762 1.00 0.00 H new ATOM 0 HG2 MET A 24 3.502 -0.596 -6.254 1.00 0.00 H new ATOM 0 HG3 MET A 24 2.987 0.947 -5.601 1.00 0.00 H new ATOM 0 HE1 MET A 24 3.484 0.998 -2.052 1.00 0.00 H new ATOM 0 HE2 MET A 24 2.133 1.010 -3.210 1.00 0.00 H new ATOM 0 HE3 MET A 24 2.321 -0.349 -2.076 1.00 0.00 H new ATOM 364 N ASP A 25 -1.731 0.136 -6.961 1.00 0.00 N ATOM 365 CA ASP A 25 -3.012 -0.477 -7.337 1.00 0.00 C ATOM 366 C ASP A 25 -3.660 -1.217 -6.174 1.00 0.00 C ATOM 367 O ASP A 25 -4.738 -1.793 -6.318 1.00 0.00 O ATOM 368 CB ASP A 25 -2.854 -1.421 -8.533 1.00 0.00 C ATOM 369 CG ASP A 25 -3.326 -0.795 -9.830 1.00 0.00 C ATOM 370 OD1 ASP A 25 -3.293 0.449 -9.945 1.00 0.00 O ATOM 371 OD2 ASP A 25 -3.730 -1.548 -10.743 1.00 0.00 O ATOM 0 H ASP A 25 -1.742 1.156 -6.985 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.670 0.343 -7.623 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.807 -1.707 -8.631 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.418 -2.335 -8.348 1.00 0.00 H new ATOM 376 N SER A 26 -3.053 -1.121 -5.003 1.00 0.00 N ATOM 377 CA SER A 26 -3.614 -1.716 -3.808 1.00 0.00 C ATOM 378 C SER A 26 -4.084 -0.626 -2.865 1.00 0.00 C ATOM 379 O SER A 26 -3.600 0.508 -2.923 1.00 0.00 O ATOM 380 CB SER A 26 -2.576 -2.607 -3.123 1.00 0.00 C ATOM 381 OG SER A 26 -1.457 -2.821 -3.970 1.00 0.00 O ATOM 0 H SER A 26 -2.169 -0.634 -4.857 1.00 0.00 H new ATOM 0 HA SER A 26 -4.468 -2.335 -4.084 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.250 -2.143 -2.192 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.028 -3.564 -2.861 1.00 0.00 H new ATOM 0 HG SER A 26 -0.805 -3.392 -3.512 1.00 0.00 H new ATOM 387 N TYR A 27 -5.073 -0.940 -2.055 1.00 0.00 N ATOM 388 CA TYR A 27 -5.632 0.040 -1.145 1.00 0.00 C ATOM 389 C TYR A 27 -5.164 -0.253 0.277 1.00 0.00 C ATOM 390 O TYR A 27 -4.795 -1.387 0.594 1.00 0.00 O ATOM 391 CB TYR A 27 -7.163 0.061 -1.249 1.00 0.00 C ATOM 392 CG TYR A 27 -7.690 0.595 -2.578 1.00 0.00 C ATOM 393 CD1 TYR A 27 -6.842 0.827 -3.658 1.00 0.00 C ATOM 394 CD2 TYR A 27 -9.041 0.854 -2.754 1.00 0.00 C ATOM 395 CE1 TYR A 27 -7.322 1.300 -4.863 1.00 0.00 C ATOM 396 CE2 TYR A 27 -9.533 1.326 -3.960 1.00 0.00 C ATOM 397 CZ TYR A 27 -8.669 1.545 -5.012 1.00 0.00 C ATOM 398 OH TYR A 27 -9.153 2.020 -6.215 1.00 0.00 O ATOM 0 H TYR A 27 -5.506 -1.862 -2.007 1.00 0.00 H new ATOM 0 HA TYR A 27 -5.277 1.033 -1.420 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -7.540 -0.951 -1.101 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -7.563 0.672 -0.440 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -5.785 0.633 -3.551 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -9.723 0.684 -1.934 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -6.644 1.477 -5.685 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -10.589 1.522 -4.076 1.00 0.00 H new ATOM 0 HH TYR A 27 -10.124 2.138 -6.153 1.00 0.00 H new ATOM 408 N TRP A 28 -4.991 0.808 1.050 1.00 0.00 N ATOM 409 CA TRP A 28 -4.371 0.732 2.368 1.00 0.00 C ATOM 410 C TRP A 28 -5.052 1.712 3.321 1.00 0.00 C ATOM 411 O TRP A 28 -5.768 2.613 2.880 1.00 0.00 O ATOM 412 CB TRP A 28 -2.875 1.107 2.289 1.00 0.00 C ATOM 413 CG TRP A 28 -2.103 0.452 1.178 1.00 0.00 C ATOM 414 CD1 TRP A 28 -2.082 0.817 -0.138 1.00 0.00 C ATOM 415 CD2 TRP A 28 -1.205 -0.654 1.298 1.00 0.00 C ATOM 416 NE1 TRP A 28 -1.249 -0.015 -0.846 1.00 0.00 N ATOM 417 CE2 TRP A 28 -0.697 -0.923 0.011 1.00 0.00 C ATOM 418 CE3 TRP A 28 -0.786 -1.451 2.363 1.00 0.00 C ATOM 419 CZ2 TRP A 28 0.208 -1.952 -0.233 1.00 0.00 C ATOM 420 CZ3 TRP A 28 0.113 -2.471 2.120 1.00 0.00 C ATOM 421 CH2 TRP A 28 0.602 -2.712 0.832 1.00 0.00 C ATOM 0 H TRP A 28 -5.277 1.750 0.782 1.00 0.00 H new ATOM 0 HA TRP A 28 -4.478 -0.291 2.729 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -2.795 2.188 2.176 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -2.403 0.850 3.237 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -2.639 1.640 -0.561 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -1.072 0.037 -1.849 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -1.158 -1.274 3.361 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 0.585 -2.143 -1.227 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 0.444 -3.093 2.938 1.00 0.00 H new ATOM 0 HH2 TRP A 28 1.306 -3.516 0.676 1.00 0.00 H new ATOM 432 N HIS A 29 -4.644 1.675 4.579 1.00 0.00 N ATOM 433 CA HIS A 29 -5.019 2.713 5.534 1.00 0.00 C ATOM 434 C HIS A 29 -3.876 3.717 5.637 1.00 0.00 C ATOM 435 O HIS A 29 -2.774 3.446 5.157 1.00 0.00 O ATOM 436 CB HIS A 29 -5.298 2.125 6.919 1.00 0.00 C ATOM 437 CG HIS A 29 -6.639 1.471 7.066 1.00 0.00 C ATOM 438 ND1 HIS A 29 -6.766 0.111 7.106 1.00 0.00 N ATOM 439 CD2 HIS A 29 -7.866 2.027 7.214 1.00 0.00 C ATOM 440 CE1 HIS A 29 -8.047 -0.144 7.275 1.00 0.00 C ATOM 441 NE2 HIS A 29 -8.766 0.992 7.351 1.00 0.00 N ATOM 0 H HIS A 29 -4.053 0.939 4.966 1.00 0.00 H new ATOM 0 HA HIS A 29 -5.930 3.196 5.182 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -4.525 1.392 7.150 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -5.214 2.920 7.660 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -8.095 3.082 7.223 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -8.467 -1.137 7.344 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -9.774 1.071 7.483 1.00 0.00 H new ATOM 449 N SER A 30 -4.106 4.828 6.323 1.00 0.00 N ATOM 450 CA SER A 30 -3.062 5.822 6.524 1.00 0.00 C ATOM 451 C SER A 30 -1.896 5.228 7.315 1.00 0.00 C ATOM 452 O SER A 30 -0.736 5.408 6.958 1.00 0.00 O ATOM 453 CB SER A 30 -3.626 7.042 7.254 1.00 0.00 C ATOM 454 OG SER A 30 -5.021 7.171 7.029 1.00 0.00 O ATOM 0 H SER A 30 -5.003 5.063 6.748 1.00 0.00 H new ATOM 0 HA SER A 30 -2.693 6.134 5.547 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.434 6.951 8.323 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.115 7.942 6.913 1.00 0.00 H new ATOM 0 HG SER A 30 -5.483 7.270 7.888 1.00 0.00 H new ATOM 460 N ARG A 31 -2.216 4.486 8.367 1.00 0.00 N ATOM 461 CA ARG A 31 -1.196 3.868 9.205 1.00 0.00 C ATOM 462 C ARG A 31 -0.844 2.462 8.707 1.00 0.00 C ATOM 463 O ARG A 31 -0.127 1.715 9.377 1.00 0.00 O ATOM 464 CB ARG A 31 -1.675 3.813 10.659 1.00 0.00 C ATOM 465 CG ARG A 31 -0.543 3.789 11.674 1.00 0.00 C ATOM 466 CD ARG A 31 -0.144 5.190 12.115 1.00 0.00 C ATOM 467 NE ARG A 31 1.136 5.182 12.827 1.00 0.00 N ATOM 468 CZ ARG A 31 1.951 6.236 12.933 1.00 0.00 C ATOM 469 NH1 ARG A 31 1.595 7.422 12.456 1.00 0.00 N ATOM 470 NH2 ARG A 31 3.125 6.098 13.535 1.00 0.00 N ATOM 0 H ARG A 31 -3.174 4.297 8.661 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.294 4.478 9.148 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.310 4.677 10.856 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.293 2.925 10.796 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -0.848 3.208 12.544 1.00 0.00 H new ATOM 0 HG3 ARG A 31 0.321 3.285 11.242 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.073 5.841 11.244 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.919 5.604 12.760 1.00 0.00 H new ATOM 0 HE ARG A 31 1.426 4.312 13.273 1.00 0.00 H new ATOM 0 HH11 ARG A 31 0.689 7.538 12.001 1.00 0.00 H new ATOM 0 HH12 ARG A 31 2.227 8.218 12.544 1.00 0.00 H new ATOM 0 HH21 ARG A 31 3.401 5.192 13.913 1.00 0.00 H new ATOM 0 HH22 ARG A 31 3.752 6.898 13.619 1.00 0.00 H new ATOM 484 N CYS A 32 -1.326 2.111 7.520 1.00 0.00 N ATOM 485 CA CYS A 32 -1.035 0.807 6.941 1.00 0.00 C ATOM 486 C CYS A 32 -0.067 0.927 5.767 1.00 0.00 C ATOM 487 O CYS A 32 0.803 0.075 5.584 1.00 0.00 O ATOM 488 CB CYS A 32 -2.324 0.122 6.508 1.00 0.00 C ATOM 489 SG CYS A 32 -3.394 -0.389 7.893 1.00 0.00 S ATOM 0 H CYS A 32 -1.917 2.709 6.943 1.00 0.00 H new ATOM 0 HA CYS A 32 -0.555 0.196 7.705 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -2.883 0.798 5.861 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -2.074 -0.756 5.912 1.00 0.00 H new ATOM 0 HG CYS A 32 -4.641 -0.231 7.560 1.00 0.00 H new ATOM 494 N LEU A 33 -0.156 2.028 5.035 1.00 0.00 N ATOM 495 CA LEU A 33 0.797 2.299 3.968 1.00 0.00 C ATOM 496 C LEU A 33 2.078 2.856 4.572 1.00 0.00 C ATOM 497 O LEU A 33 2.229 4.063 4.755 1.00 0.00 O ATOM 498 CB LEU A 33 0.205 3.275 2.948 1.00 0.00 C ATOM 499 CG LEU A 33 0.824 3.238 1.539 1.00 0.00 C ATOM 500 CD1 LEU A 33 1.971 4.223 1.436 1.00 0.00 C ATOM 501 CD2 LEU A 33 1.298 1.840 1.176 1.00 0.00 C ATOM 0 H LEU A 33 -0.872 2.743 5.159 1.00 0.00 H new ATOM 0 HA LEU A 33 1.023 1.371 3.442 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.863 3.073 2.859 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.307 4.286 3.341 1.00 0.00 H new ATOM 0 HG LEU A 33 0.047 3.524 0.830 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.396 4.183 0.433 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.605 5.230 1.635 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.738 3.965 2.166 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.729 1.851 0.175 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.052 1.514 1.893 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.453 1.152 1.200 1.00 0.00 H new ATOM 513 N LYS A 34 2.927 1.952 5.022 1.00 0.00 N ATOM 514 CA LYS A 34 4.127 2.324 5.750 1.00 0.00 C ATOM 515 C LYS A 34 5.245 1.327 5.501 1.00 0.00 C ATOM 516 O LYS A 34 5.042 0.296 4.856 1.00 0.00 O ATOM 517 CB LYS A 34 3.830 2.395 7.256 1.00 0.00 C ATOM 518 CG LYS A 34 2.846 1.339 7.746 1.00 0.00 C ATOM 519 CD LYS A 34 3.553 0.065 8.186 1.00 0.00 C ATOM 520 CE LYS A 34 3.162 -1.124 7.315 1.00 0.00 C ATOM 521 NZ LYS A 34 2.934 -2.351 8.121 1.00 0.00 N ATOM 0 H LYS A 34 2.807 0.947 4.895 1.00 0.00 H new ATOM 0 HA LYS A 34 4.447 3.303 5.394 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.765 2.288 7.805 1.00 0.00 H new ATOM 0 HB3 LYS A 34 3.434 3.383 7.491 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.268 1.740 8.579 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.138 1.105 6.951 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.632 0.212 8.139 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.306 -0.148 9.226 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.257 -0.883 6.757 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.948 -1.311 6.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.670 -3.136 7.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.805 -2.596 8.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.167 -2.181 8.802 1.00 0.00 H new ATOM 535 N CYS A 35 6.392 1.603 6.106 1.00 0.00 N ATOM 536 CA CYS A 35 7.531 0.708 6.059 1.00 0.00 C ATOM 537 C CYS A 35 7.166 -0.646 6.656 1.00 0.00 C ATOM 538 O CYS A 35 6.683 -0.725 7.788 1.00 0.00 O ATOM 539 CB CYS A 35 8.682 1.326 6.852 1.00 0.00 C ATOM 540 SG CYS A 35 10.339 0.647 6.503 1.00 0.00 S ATOM 0 H CYS A 35 6.555 2.455 6.642 1.00 0.00 H new ATOM 0 HA CYS A 35 7.831 0.561 5.021 1.00 0.00 H new ATOM 0 HB2 CYS A 35 8.700 2.398 6.655 1.00 0.00 H new ATOM 0 HB3 CYS A 35 8.475 1.201 7.915 1.00 0.00 H new ATOM 0 HG CYS A 35 11.231 1.581 6.654 1.00 0.00 H new ATOM 545 N SER A 36 7.488 -1.708 5.939 1.00 0.00 N ATOM 546 CA SER A 36 7.267 -3.054 6.444 1.00 0.00 C ATOM 547 C SER A 36 8.434 -3.482 7.330 1.00 0.00 C ATOM 548 O SER A 36 8.548 -4.646 7.715 1.00 0.00 O ATOM 549 CB SER A 36 7.090 -4.032 5.280 1.00 0.00 C ATOM 550 OG SER A 36 6.520 -3.385 4.155 1.00 0.00 O ATOM 0 H SER A 36 7.902 -1.666 5.008 1.00 0.00 H new ATOM 0 HA SER A 36 6.357 -3.061 7.043 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.056 -4.458 5.008 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.452 -4.860 5.590 1.00 0.00 H new ATOM 0 HG SER A 36 6.418 -4.029 3.424 1.00 0.00 H new ATOM 556 N SER A 37 9.324 -2.540 7.607 1.00 0.00 N ATOM 557 CA SER A 37 10.516 -2.824 8.383 1.00 0.00 C ATOM 558 C SER A 37 10.506 -2.078 9.718 1.00 0.00 C ATOM 559 O SER A 37 10.538 -2.701 10.781 1.00 0.00 O ATOM 560 CB SER A 37 11.750 -2.450 7.568 1.00 0.00 C ATOM 561 OG SER A 37 11.392 -2.129 6.229 1.00 0.00 O ATOM 0 H SER A 37 9.240 -1.570 7.303 1.00 0.00 H new ATOM 0 HA SER A 37 10.538 -3.890 8.608 1.00 0.00 H new ATOM 0 HB2 SER A 37 12.252 -1.599 8.029 1.00 0.00 H new ATOM 0 HB3 SER A 37 12.459 -3.278 7.571 1.00 0.00 H new ATOM 0 HG SER A 37 11.269 -1.160 6.146 1.00 0.00 H new ATOM 567 N CYS A 38 10.487 -0.745 9.668 1.00 0.00 N ATOM 568 CA CYS A 38 10.527 0.052 10.889 1.00 0.00 C ATOM 569 C CYS A 38 9.168 0.683 11.188 1.00 0.00 C ATOM 570 O CYS A 38 9.003 1.362 12.202 1.00 0.00 O ATOM 571 CB CYS A 38 11.612 1.132 10.795 1.00 0.00 C ATOM 572 SG CYS A 38 11.196 2.549 9.731 1.00 0.00 S ATOM 0 H CYS A 38 10.445 -0.203 8.805 1.00 0.00 H new ATOM 0 HA CYS A 38 10.773 -0.618 11.713 1.00 0.00 H new ATOM 0 HB2 CYS A 38 11.825 1.500 11.799 1.00 0.00 H new ATOM 0 HB3 CYS A 38 12.528 0.674 10.423 1.00 0.00 H new ATOM 0 HG CYS A 38 10.866 2.122 8.548 1.00 0.00 H new ATOM 577 N GLN A 39 8.207 0.441 10.298 1.00 0.00 N ATOM 578 CA GLN A 39 6.839 0.947 10.445 1.00 0.00 C ATOM 579 C GLN A 39 6.763 2.463 10.263 1.00 0.00 C ATOM 580 O GLN A 39 5.773 3.086 10.646 1.00 0.00 O ATOM 581 CB GLN A 39 6.243 0.544 11.799 1.00 0.00 C ATOM 582 CG GLN A 39 5.297 -0.641 11.720 1.00 0.00 C ATOM 583 CD GLN A 39 6.017 -1.973 11.619 1.00 0.00 C ATOM 584 OE1 GLN A 39 6.249 -2.647 12.625 1.00 0.00 O ATOM 585 NE2 GLN A 39 6.374 -2.368 10.405 1.00 0.00 N ATOM 0 H GLN A 39 8.353 -0.112 9.453 1.00 0.00 H new ATOM 0 HA GLN A 39 6.248 0.489 9.652 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.054 0.305 12.487 1.00 0.00 H new ATOM 0 HB3 GLN A 39 5.709 1.396 12.220 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.657 -0.647 12.603 1.00 0.00 H new ATOM 0 HG3 GLN A 39 4.645 -0.521 10.855 1.00 0.00 H new ATOM 0 HE21 GLN A 39 6.165 -1.783 9.596 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.858 -3.257 10.280 1.00 0.00 H new ATOM 594 N ALA A 40 7.761 3.033 9.597 1.00 0.00 N ATOM 595 CA ALA A 40 7.750 4.445 9.265 1.00 0.00 C ATOM 596 C ALA A 40 6.565 4.764 8.375 1.00 0.00 C ATOM 597 O ALA A 40 6.397 4.179 7.304 1.00 0.00 O ATOM 598 CB ALA A 40 9.039 4.858 8.577 1.00 0.00 C ATOM 0 H ALA A 40 8.590 2.532 9.277 1.00 0.00 H new ATOM 0 HA ALA A 40 7.664 5.008 10.195 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.001 5.921 8.341 1.00 0.00 H new ATOM 0 HB2 ALA A 40 9.883 4.663 9.239 1.00 0.00 H new ATOM 0 HB3 ALA A 40 9.160 4.286 7.657 1.00 0.00 H new ATOM 604 N GLN A 41 5.706 5.611 8.892 1.00 0.00 N ATOM 605 CA GLN A 41 4.467 5.988 8.218 1.00 0.00 C ATOM 606 C GLN A 41 4.777 6.732 6.918 1.00 0.00 C ATOM 607 O GLN A 41 5.219 7.883 6.935 1.00 0.00 O ATOM 608 CB GLN A 41 3.618 6.858 9.151 1.00 0.00 C ATOM 609 CG GLN A 41 2.134 6.519 9.131 1.00 0.00 C ATOM 610 CD GLN A 41 1.358 7.358 8.141 1.00 0.00 C ATOM 611 OE1 GLN A 41 1.616 7.310 6.946 1.00 0.00 O ATOM 612 NE2 GLN A 41 0.402 8.133 8.629 1.00 0.00 N ATOM 0 H GLN A 41 5.840 6.065 9.796 1.00 0.00 H new ATOM 0 HA GLN A 41 3.905 5.088 7.969 1.00 0.00 H new ATOM 0 HB2 GLN A 41 3.991 6.752 10.170 1.00 0.00 H new ATOM 0 HB3 GLN A 41 3.745 7.904 8.872 1.00 0.00 H new ATOM 0 HG2 GLN A 41 2.009 5.465 8.884 1.00 0.00 H new ATOM 0 HG3 GLN A 41 1.719 6.664 10.128 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.217 8.145 9.632 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -0.150 8.718 8.002 1.00 0.00 H new ATOM 621 N LEU A 42 4.647 6.021 5.802 1.00 0.00 N ATOM 622 CA LEU A 42 5.048 6.533 4.490 1.00 0.00 C ATOM 623 C LEU A 42 4.067 7.570 3.946 1.00 0.00 C ATOM 624 O LEU A 42 4.286 8.150 2.879 1.00 0.00 O ATOM 625 CB LEU A 42 5.179 5.375 3.500 1.00 0.00 C ATOM 626 CG LEU A 42 6.537 4.668 3.485 1.00 0.00 C ATOM 627 CD1 LEU A 42 6.668 3.815 2.235 1.00 0.00 C ATOM 628 CD2 LEU A 42 7.679 5.674 3.563 1.00 0.00 C ATOM 0 H LEU A 42 4.262 5.077 5.778 1.00 0.00 H new ATOM 0 HA LEU A 42 6.010 7.029 4.615 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.408 4.638 3.726 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.975 5.752 2.498 1.00 0.00 H new ATOM 0 HG LEU A 42 6.596 4.023 4.362 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.637 3.317 2.234 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.875 3.067 2.220 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.585 4.449 1.352 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.632 5.145 3.551 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.628 6.349 2.709 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.595 6.249 4.485 1.00 0.00 H new ATOM 640 N GLY A 43 3.002 7.818 4.685 1.00 0.00 N ATOM 641 CA GLY A 43 2.043 8.825 4.288 1.00 0.00 C ATOM 642 C GLY A 43 2.044 10.002 5.239 1.00 0.00 C ATOM 643 O GLY A 43 1.193 10.890 5.148 1.00 0.00 O ATOM 0 H GLY A 43 2.782 7.338 5.558 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.274 9.171 3.280 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.046 8.385 4.254 1.00 0.00 H new ATOM 647 N ASP A 44 2.987 9.996 6.174 1.00 0.00 N ATOM 648 CA ASP A 44 3.079 11.050 7.177 1.00 0.00 C ATOM 649 C ASP A 44 4.296 11.934 6.933 1.00 0.00 C ATOM 650 O ASP A 44 4.170 13.148 6.769 1.00 0.00 O ATOM 651 CB ASP A 44 3.159 10.441 8.577 1.00 0.00 C ATOM 652 CG ASP A 44 2.710 11.401 9.659 1.00 0.00 C ATOM 653 OD1 ASP A 44 1.751 12.158 9.429 1.00 0.00 O ATOM 654 OD2 ASP A 44 3.308 11.392 10.754 1.00 0.00 O ATOM 0 H ASP A 44 3.700 9.271 6.258 1.00 0.00 H new ATOM 0 HA ASP A 44 2.183 11.666 7.100 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.541 9.544 8.614 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.185 10.130 8.775 1.00 0.00 H new ATOM 659 N ILE A 45 5.468 11.311 6.858 1.00 0.00 N ATOM 660 CA ILE A 45 6.716 12.032 6.609 1.00 0.00 C ATOM 661 C ILE A 45 6.936 12.215 5.115 1.00 0.00 C ATOM 662 O ILE A 45 7.948 11.778 4.561 1.00 0.00 O ATOM 663 CB ILE A 45 7.941 11.307 7.215 1.00 0.00 C ATOM 664 CG1 ILE A 45 7.583 9.869 7.607 1.00 0.00 C ATOM 665 CG2 ILE A 45 8.464 12.073 8.420 1.00 0.00 C ATOM 666 CD1 ILE A 45 8.784 9.003 7.927 1.00 0.00 C ATOM 0 H ILE A 45 5.582 10.303 6.966 1.00 0.00 H new ATOM 0 HA ILE A 45 6.620 13.003 7.094 1.00 0.00 H new ATOM 0 HB ILE A 45 8.725 11.268 6.459 1.00 0.00 H new ATOM 0 HG12 ILE A 45 6.923 9.893 8.474 1.00 0.00 H new ATOM 0 HG13 ILE A 45 7.023 9.410 6.793 1.00 0.00 H new ATOM 0 HG21 ILE A 45 9.326 11.552 8.836 1.00 0.00 H new ATOM 0 HG22 ILE A 45 8.760 13.076 8.113 1.00 0.00 H new ATOM 0 HG23 ILE A 45 7.681 12.141 9.176 1.00 0.00 H new ATOM 0 HD11 ILE A 45 8.449 8.001 8.195 1.00 0.00 H new ATOM 0 HD12 ILE A 45 9.435 8.947 7.054 1.00 0.00 H new ATOM 0 HD13 ILE A 45 9.334 9.437 8.762 1.00 0.00 H new ATOM 677 N GLY A 46 5.935 12.779 4.458 1.00 0.00 N ATOM 678 CA GLY A 46 5.977 12.926 3.021 1.00 0.00 C ATOM 679 C GLY A 46 5.294 11.763 2.344 1.00 0.00 C ATOM 680 O GLY A 46 5.713 10.620 2.511 1.00 0.00 O ATOM 0 H GLY A 46 5.089 13.140 4.899 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.491 13.858 2.732 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.013 12.990 2.687 1.00 0.00 H new ATOM 684 N THR A 47 4.183 12.026 1.673 1.00 0.00 N ATOM 685 CA THR A 47 3.388 10.954 1.104 1.00 0.00 C ATOM 686 C THR A 47 4.027 10.425 -0.174 1.00 0.00 C ATOM 687 O THR A 47 3.971 11.063 -1.228 1.00 0.00 O ATOM 688 CB THR A 47 1.960 11.440 0.801 1.00 0.00 C ATOM 689 OG1 THR A 47 1.785 12.767 1.315 1.00 0.00 O ATOM 690 CG2 THR A 47 0.923 10.516 1.422 1.00 0.00 C ATOM 0 H THR A 47 3.816 12.964 1.511 1.00 0.00 H new ATOM 0 HA THR A 47 3.343 10.148 1.837 1.00 0.00 H new ATOM 0 HB THR A 47 1.820 11.437 -0.280 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.876 13.076 1.120 1.00 0.00 H new ATOM 0 HG21 THR A 47 -0.077 10.884 1.192 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.042 9.511 1.017 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.060 10.490 2.503 1.00 0.00 H new ATOM 698 N SER A 48 4.631 9.250 -0.060 1.00 0.00 N ATOM 699 CA SER A 48 5.288 8.600 -1.183 1.00 0.00 C ATOM 700 C SER A 48 5.438 7.110 -0.904 1.00 0.00 C ATOM 701 O SER A 48 5.890 6.720 0.171 1.00 0.00 O ATOM 702 CB SER A 48 6.664 9.226 -1.419 1.00 0.00 C ATOM 703 OG SER A 48 7.059 10.038 -0.319 1.00 0.00 O ATOM 0 H SER A 48 4.679 8.723 0.812 1.00 0.00 H new ATOM 0 HA SER A 48 4.679 8.736 -2.077 1.00 0.00 H new ATOM 0 HB2 SER A 48 7.402 8.439 -1.576 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.641 9.827 -2.328 1.00 0.00 H new ATOM 0 HG SER A 48 7.942 10.423 -0.497 1.00 0.00 H new ATOM 709 N SER A 49 5.030 6.280 -1.846 1.00 0.00 N ATOM 710 CA SER A 49 5.120 4.847 -1.669 1.00 0.00 C ATOM 711 C SER A 49 6.409 4.334 -2.268 1.00 0.00 C ATOM 712 O SER A 49 6.719 4.610 -3.425 1.00 0.00 O ATOM 713 CB SER A 49 3.940 4.158 -2.333 1.00 0.00 C ATOM 714 OG SER A 49 3.429 4.957 -3.382 1.00 0.00 O ATOM 0 H SER A 49 4.634 6.575 -2.739 1.00 0.00 H new ATOM 0 HA SER A 49 5.104 4.626 -0.602 1.00 0.00 H new ATOM 0 HB2 SER A 49 4.249 3.188 -2.723 1.00 0.00 H new ATOM 0 HB3 SER A 49 3.159 3.970 -1.596 1.00 0.00 H new ATOM 0 HG SER A 49 3.340 4.414 -4.193 1.00 0.00 H new ATOM 720 N TYR A 50 7.166 3.605 -1.481 1.00 0.00 N ATOM 721 CA TYR A 50 8.416 3.054 -1.958 1.00 0.00 C ATOM 722 C TYR A 50 8.186 1.642 -2.428 1.00 0.00 C ATOM 723 O TYR A 50 7.276 0.969 -1.950 1.00 0.00 O ATOM 724 CB TYR A 50 9.490 3.106 -0.880 1.00 0.00 C ATOM 725 CG TYR A 50 9.995 4.503 -0.609 1.00 0.00 C ATOM 726 CD1 TYR A 50 9.254 5.614 -0.986 1.00 0.00 C ATOM 727 CD2 TYR A 50 11.199 4.711 0.034 1.00 0.00 C ATOM 728 CE1 TYR A 50 9.700 6.894 -0.732 1.00 0.00 C ATOM 729 CE2 TYR A 50 11.654 5.985 0.298 1.00 0.00 C ATOM 730 CZ TYR A 50 10.902 7.077 -0.086 1.00 0.00 C ATOM 731 OH TYR A 50 11.349 8.354 0.183 1.00 0.00 O ATOM 0 H TYR A 50 6.941 3.380 -0.512 1.00 0.00 H new ATOM 0 HA TYR A 50 8.774 3.656 -2.793 1.00 0.00 H new ATOM 0 HB2 TYR A 50 9.090 2.686 0.043 1.00 0.00 H new ATOM 0 HB3 TYR A 50 10.327 2.476 -1.180 1.00 0.00 H new ATOM 0 HD1 TYR A 50 8.309 5.473 -1.489 1.00 0.00 H new ATOM 0 HD2 TYR A 50 11.794 3.861 0.335 1.00 0.00 H new ATOM 0 HE1 TYR A 50 9.111 7.746 -1.037 1.00 0.00 H new ATOM 0 HE2 TYR A 50 12.597 6.129 0.804 1.00 0.00 H new ATOM 0 HH TYR A 50 11.608 8.418 1.126 1.00 0.00 H new ATOM 741 N THR A 51 8.799 1.311 -3.539 1.00 0.00 N ATOM 742 CA THR A 51 8.440 0.098 -4.231 1.00 0.00 C ATOM 743 C THR A 51 9.658 -0.682 -4.708 1.00 0.00 C ATOM 744 O THR A 51 10.249 -0.364 -5.741 1.00 0.00 O ATOM 745 CB THR A 51 7.548 0.444 -5.432 1.00 0.00 C ATOM 746 OG1 THR A 51 6.450 1.260 -4.999 1.00 0.00 O ATOM 747 CG2 THR A 51 7.023 -0.810 -6.118 1.00 0.00 C ATOM 0 H THR A 51 9.540 1.857 -3.979 1.00 0.00 H new ATOM 0 HA THR A 51 7.904 -0.537 -3.526 1.00 0.00 H new ATOM 0 HB THR A 51 8.152 0.992 -6.155 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.721 0.686 -4.684 1.00 0.00 H new ATOM 0 HG21 THR A 51 6.396 -0.527 -6.963 1.00 0.00 H new ATOM 0 HG22 THR A 51 7.862 -1.409 -6.473 1.00 0.00 H new ATOM 0 HG23 THR A 51 6.435 -1.393 -5.409 1.00 0.00 H new ATOM 755 N LYS A 52 9.945 -1.768 -4.010 1.00 0.00 N ATOM 756 CA LYS A 52 10.969 -2.715 -4.424 1.00 0.00 C ATOM 757 C LYS A 52 10.647 -4.069 -3.816 1.00 0.00 C ATOM 758 O LYS A 52 10.253 -4.132 -2.654 1.00 0.00 O ATOM 759 CB LYS A 52 12.362 -2.249 -4.007 1.00 0.00 C ATOM 760 CG LYS A 52 13.232 -1.863 -5.189 1.00 0.00 C ATOM 761 CD LYS A 52 14.709 -1.921 -4.843 1.00 0.00 C ATOM 762 CE LYS A 52 15.497 -2.687 -5.894 1.00 0.00 C ATOM 763 NZ LYS A 52 15.662 -1.906 -7.147 1.00 0.00 N ATOM 0 H LYS A 52 9.475 -2.019 -3.140 1.00 0.00 H new ATOM 0 HA LYS A 52 10.973 -2.788 -5.512 1.00 0.00 H new ATOM 0 HB2 LYS A 52 12.269 -1.395 -3.336 1.00 0.00 H new ATOM 0 HB3 LYS A 52 12.853 -3.044 -3.445 1.00 0.00 H new ATOM 0 HG2 LYS A 52 13.028 -2.532 -6.025 1.00 0.00 H new ATOM 0 HG3 LYS A 52 12.974 -0.856 -5.517 1.00 0.00 H new ATOM 0 HD2 LYS A 52 15.104 -0.909 -4.757 1.00 0.00 H new ATOM 0 HD3 LYS A 52 14.838 -2.397 -3.871 1.00 0.00 H new ATOM 0 HE2 LYS A 52 16.478 -2.944 -5.495 1.00 0.00 H new ATOM 0 HE3 LYS A 52 14.988 -3.625 -6.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 16.205 -2.465 -7.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 14.726 -1.683 -7.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 16.171 -1.023 -6.941 1.00 0.00 H new ATOM 777 N SER A 53 10.588 -5.097 -4.660 1.00 0.00 N ATOM 778 CA SER A 53 10.094 -6.414 -4.253 1.00 0.00 C ATOM 779 C SER A 53 8.603 -6.344 -3.935 1.00 0.00 C ATOM 780 O SER A 53 8.087 -7.141 -3.149 1.00 0.00 O ATOM 781 CB SER A 53 10.859 -6.938 -3.032 1.00 0.00 C ATOM 782 OG SER A 53 12.170 -7.340 -3.386 1.00 0.00 O ATOM 0 H SER A 53 10.878 -5.044 -5.637 1.00 0.00 H new ATOM 0 HA SER A 53 10.255 -7.103 -5.082 1.00 0.00 H new ATOM 0 HB2 SER A 53 10.907 -6.162 -2.268 1.00 0.00 H new ATOM 0 HB3 SER A 53 10.322 -7.781 -2.597 1.00 0.00 H new ATOM 0 HG SER A 53 12.582 -7.813 -2.633 1.00 0.00 H new ATOM 788 N GLY A 54 7.941 -5.311 -4.457 1.00 0.00 N ATOM 789 CA GLY A 54 6.553 -5.065 -4.110 1.00 0.00 C ATOM 790 C GLY A 54 6.408 -4.694 -2.647 1.00 0.00 C ATOM 791 O GLY A 54 5.322 -4.780 -2.073 1.00 0.00 O ATOM 0 H GLY A 54 8.343 -4.642 -5.113 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.157 -4.262 -4.732 1.00 0.00 H new ATOM 0 HA3 GLY A 54 5.960 -5.954 -4.322 1.00 0.00 H new ATOM 795 N MET A 55 7.530 -4.362 -2.029 1.00 0.00 N ATOM 796 CA MET A 55 7.579 -4.061 -0.610 1.00 0.00 C ATOM 797 C MET A 55 7.641 -2.558 -0.388 1.00 0.00 C ATOM 798 O MET A 55 8.191 -1.822 -1.211 1.00 0.00 O ATOM 799 CB MET A 55 8.801 -4.737 0.017 1.00 0.00 C ATOM 800 CG MET A 55 8.714 -4.904 1.524 1.00 0.00 C ATOM 801 SD MET A 55 10.302 -5.324 2.269 1.00 0.00 S ATOM 802 CE MET A 55 10.966 -6.466 1.053 1.00 0.00 C ATOM 0 H MET A 55 8.433 -4.294 -2.499 1.00 0.00 H new ATOM 0 HA MET A 55 6.675 -4.442 -0.136 1.00 0.00 H new ATOM 0 HB2 MET A 55 8.934 -5.718 -0.439 1.00 0.00 H new ATOM 0 HB3 MET A 55 9.689 -4.152 -0.222 1.00 0.00 H new ATOM 0 HG2 MET A 55 8.342 -3.980 1.967 1.00 0.00 H new ATOM 0 HG3 MET A 55 7.990 -5.684 1.758 1.00 0.00 H new ATOM 0 HE1 MET A 55 11.897 -6.894 1.426 1.00 0.00 H new ATOM 0 HE2 MET A 55 10.246 -7.265 0.873 1.00 0.00 H new ATOM 0 HE3 MET A 55 11.158 -5.934 0.121 1.00 0.00 H new ATOM 812 N ILE A 56 7.078 -2.114 0.721 1.00 0.00 N ATOM 813 CA ILE A 56 7.069 -0.698 1.066 1.00 0.00 C ATOM 814 C ILE A 56 8.024 -0.420 2.218 1.00 0.00 C ATOM 815 O ILE A 56 7.963 -1.077 3.260 1.00 0.00 O ATOM 816 CB ILE A 56 5.660 -0.200 1.459 1.00 0.00 C ATOM 817 CG1 ILE A 56 4.613 -1.301 1.285 1.00 0.00 C ATOM 818 CG2 ILE A 56 5.281 1.021 0.638 1.00 0.00 C ATOM 819 CD1 ILE A 56 3.387 -1.103 2.149 1.00 0.00 C ATOM 0 H ILE A 56 6.617 -2.715 1.404 1.00 0.00 H new ATOM 0 HA ILE A 56 7.390 -0.160 0.174 1.00 0.00 H new ATOM 0 HB ILE A 56 5.686 0.077 2.513 1.00 0.00 H new ATOM 0 HG12 ILE A 56 4.309 -1.342 0.239 1.00 0.00 H new ATOM 0 HG13 ILE A 56 5.065 -2.264 1.523 1.00 0.00 H new ATOM 0 HG21 ILE A 56 4.286 1.359 0.927 1.00 0.00 H new ATOM 0 HG22 ILE A 56 6.002 1.819 0.818 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.283 0.762 -0.421 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.685 -1.919 1.977 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.680 -1.092 3.199 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.912 -0.156 1.895 1.00 0.00 H new ATOM 830 N LEU A 57 8.921 0.534 2.019 1.00 0.00 N ATOM 831 CA LEU A 57 9.905 0.888 3.041 1.00 0.00 C ATOM 832 C LEU A 57 10.107 2.394 3.097 1.00 0.00 C ATOM 833 O LEU A 57 9.699 3.108 2.186 1.00 0.00 O ATOM 834 CB LEU A 57 11.255 0.226 2.749 1.00 0.00 C ATOM 835 CG LEU A 57 11.195 -1.143 2.078 1.00 0.00 C ATOM 836 CD1 LEU A 57 11.671 -1.045 0.638 1.00 0.00 C ATOM 837 CD2 LEU A 57 12.036 -2.139 2.851 1.00 0.00 C ATOM 0 H LEU A 57 8.991 1.079 1.160 1.00 0.00 H new ATOM 0 HA LEU A 57 9.522 0.533 3.998 1.00 0.00 H new ATOM 0 HB2 LEU A 57 11.836 0.895 2.114 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.799 0.125 3.688 1.00 0.00 H new ATOM 0 HG LEU A 57 10.162 -1.490 2.075 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.623 -2.029 0.171 1.00 0.00 H new ATOM 0 HD12 LEU A 57 11.033 -0.352 0.090 1.00 0.00 H new ATOM 0 HD13 LEU A 57 12.699 -0.684 0.618 1.00 0.00 H new ATOM 0 HD21 LEU A 57 11.986 -3.113 2.364 1.00 0.00 H new ATOM 0 HD22 LEU A 57 13.071 -1.799 2.877 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.656 -2.223 3.869 1.00 0.00 H new ATOM 849 N CYS A 58 10.862 2.845 4.089 1.00 0.00 N ATOM 850 CA CYS A 58 11.269 4.238 4.164 1.00 0.00 C ATOM 851 C CYS A 58 12.518 4.440 3.314 1.00 0.00 C ATOM 852 O CYS A 58 13.072 3.475 2.792 1.00 0.00 O ATOM 853 CB CYS A 58 11.550 4.638 5.613 1.00 0.00 C ATOM 854 SG CYS A 58 12.850 3.652 6.423 1.00 0.00 S ATOM 0 H CYS A 58 11.205 2.264 4.854 1.00 0.00 H new ATOM 0 HA CYS A 58 10.463 4.867 3.787 1.00 0.00 H new ATOM 0 HB2 CYS A 58 11.838 5.689 5.638 1.00 0.00 H new ATOM 0 HB3 CYS A 58 10.629 4.546 6.188 1.00 0.00 H new ATOM 0 HG CYS A 58 12.407 3.198 7.557 1.00 0.00 H new ATOM 859 N ARG A 59 12.979 5.676 3.197 1.00 0.00 N ATOM 860 CA ARG A 59 14.175 5.962 2.412 1.00 0.00 C ATOM 861 C ARG A 59 15.409 5.350 3.063 1.00 0.00 C ATOM 862 O ARG A 59 16.342 4.940 2.376 1.00 0.00 O ATOM 863 CB ARG A 59 14.368 7.469 2.241 1.00 0.00 C ATOM 864 CG ARG A 59 14.533 7.907 0.791 1.00 0.00 C ATOM 865 CD ARG A 59 15.412 6.945 0.001 1.00 0.00 C ATOM 866 NE ARG A 59 16.831 7.266 0.131 1.00 0.00 N ATOM 867 CZ ARG A 59 17.530 7.914 -0.796 1.00 0.00 C ATOM 868 NH1 ARG A 59 16.949 8.297 -1.923 1.00 0.00 N ATOM 869 NH2 ARG A 59 18.814 8.180 -0.592 1.00 0.00 N ATOM 0 H ARG A 59 12.549 6.493 3.631 1.00 0.00 H new ATOM 0 HA ARG A 59 14.041 5.514 1.427 1.00 0.00 H new ATOM 0 HB2 ARG A 59 13.511 7.987 2.672 1.00 0.00 H new ATOM 0 HB3 ARG A 59 15.246 7.780 2.807 1.00 0.00 H new ATOM 0 HG2 ARG A 59 13.553 7.974 0.319 1.00 0.00 H new ATOM 0 HG3 ARG A 59 14.970 8.905 0.761 1.00 0.00 H new ATOM 0 HD2 ARG A 59 15.238 5.927 0.348 1.00 0.00 H new ATOM 0 HD3 ARG A 59 15.128 6.976 -1.051 1.00 0.00 H new ATOM 0 HE ARG A 59 17.313 6.976 0.982 1.00 0.00 H new ATOM 0 HH11 ARG A 59 15.962 8.095 -2.082 1.00 0.00 H new ATOM 0 HH12 ARG A 59 17.489 8.794 -2.632 1.00 0.00 H new ATOM 0 HH21 ARG A 59 19.264 7.887 0.275 1.00 0.00 H new ATOM 0 HH22 ARG A 59 19.351 8.677 -1.303 1.00 0.00 H new ATOM 883 N ASN A 60 15.388 5.244 4.383 1.00 0.00 N ATOM 884 CA ASN A 60 16.501 4.656 5.117 1.00 0.00 C ATOM 885 C ASN A 60 16.486 3.136 4.995 1.00 0.00 C ATOM 886 O ASN A 60 17.512 2.516 4.702 1.00 0.00 O ATOM 887 CB ASN A 60 16.441 5.072 6.588 1.00 0.00 C ATOM 888 CG ASN A 60 17.440 4.327 7.454 1.00 0.00 C ATOM 889 OD1 ASN A 60 17.120 3.298 8.042 1.00 0.00 O ATOM 890 ND2 ASN A 60 18.651 4.845 7.545 1.00 0.00 N ATOM 0 H ASN A 60 14.614 5.557 4.969 1.00 0.00 H new ATOM 0 HA ASN A 60 17.431 5.024 4.685 1.00 0.00 H new ATOM 0 HB2 ASN A 60 16.628 6.143 6.665 1.00 0.00 H new ATOM 0 HB3 ASN A 60 15.435 4.896 6.969 1.00 0.00 H new ATOM 0 HD21 ASN A 60 19.359 4.388 8.119 1.00 0.00 H new ATOM 0 HD22 ASN A 60 18.878 5.702 7.041 1.00 0.00 H new ATOM 897 N ASP A 61 15.314 2.543 5.197 1.00 0.00 N ATOM 898 CA ASP A 61 15.163 1.093 5.106 1.00 0.00 C ATOM 899 C ASP A 61 15.328 0.623 3.669 1.00 0.00 C ATOM 900 O ASP A 61 15.799 -0.485 3.421 1.00 0.00 O ATOM 901 CB ASP A 61 13.801 0.651 5.650 1.00 0.00 C ATOM 902 CG ASP A 61 13.899 0.110 7.063 1.00 0.00 C ATOM 903 OD1 ASP A 61 14.568 -0.940 7.252 1.00 0.00 O ATOM 904 OD2 ASP A 61 13.338 0.721 8.007 1.00 0.00 O ATOM 0 H ASP A 61 14.455 3.043 5.425 1.00 0.00 H new ATOM 0 HA ASP A 61 15.944 0.637 5.714 1.00 0.00 H new ATOM 0 HB2 ASP A 61 13.113 1.496 5.633 1.00 0.00 H new ATOM 0 HB3 ASP A 61 13.382 -0.115 4.997 1.00 0.00 H new ATOM 909 N TYR A 62 15.012 1.506 2.730 1.00 0.00 N ATOM 910 CA TYR A 62 15.182 1.228 1.308 1.00 0.00 C ATOM 911 C TYR A 62 16.623 0.824 1.007 1.00 0.00 C ATOM 912 O TYR A 62 16.874 -0.219 0.400 1.00 0.00 O ATOM 913 CB TYR A 62 14.807 2.469 0.488 1.00 0.00 C ATOM 914 CG TYR A 62 14.410 2.173 -0.939 1.00 0.00 C ATOM 915 CD1 TYR A 62 15.373 1.956 -1.911 1.00 0.00 C ATOM 916 CD2 TYR A 62 13.074 2.112 -1.315 1.00 0.00 C ATOM 917 CE1 TYR A 62 15.022 1.684 -3.218 1.00 0.00 C ATOM 918 CE2 TYR A 62 12.713 1.840 -2.623 1.00 0.00 C ATOM 919 CZ TYR A 62 13.694 1.626 -3.569 1.00 0.00 C ATOM 920 OH TYR A 62 13.346 1.357 -4.873 1.00 0.00 O ATOM 0 H TYR A 62 14.632 2.431 2.930 1.00 0.00 H new ATOM 0 HA TYR A 62 14.526 0.401 1.035 1.00 0.00 H new ATOM 0 HB2 TYR A 62 13.983 2.982 0.983 1.00 0.00 H new ATOM 0 HB3 TYR A 62 15.653 3.156 0.483 1.00 0.00 H new ATOM 0 HD1 TYR A 62 16.418 2.000 -1.641 1.00 0.00 H new ATOM 0 HD2 TYR A 62 12.305 2.279 -0.575 1.00 0.00 H new ATOM 0 HE1 TYR A 62 15.787 1.517 -3.962 1.00 0.00 H new ATOM 0 HE2 TYR A 62 11.670 1.796 -2.901 1.00 0.00 H new ATOM 0 HH TYR A 62 14.124 1.004 -5.353 1.00 0.00 H new ATOM 930 N ILE A 63 17.567 1.649 1.446 1.00 0.00 N ATOM 931 CA ILE A 63 18.982 1.390 1.198 1.00 0.00 C ATOM 932 C ILE A 63 19.530 0.346 2.168 1.00 0.00 C ATOM 933 O ILE A 63 20.616 -0.190 1.966 1.00 0.00 O ATOM 934 CB ILE A 63 19.839 2.673 1.299 1.00 0.00 C ATOM 935 CG1 ILE A 63 18.985 3.928 1.075 1.00 0.00 C ATOM 936 CG2 ILE A 63 20.988 2.619 0.301 1.00 0.00 C ATOM 937 CD1 ILE A 63 18.608 4.173 -0.373 1.00 0.00 C ATOM 0 H ILE A 63 17.380 2.501 1.974 1.00 0.00 H new ATOM 0 HA ILE A 63 19.048 1.011 0.178 1.00 0.00 H new ATOM 0 HB ILE A 63 20.253 2.728 2.306 1.00 0.00 H new ATOM 0 HG12 ILE A 63 18.074 3.844 1.667 1.00 0.00 H new ATOM 0 HG13 ILE A 63 19.529 4.795 1.449 1.00 0.00 H new ATOM 0 HG21 ILE A 63 21.584 3.528 0.382 1.00 0.00 H new ATOM 0 HG22 ILE A 63 21.615 1.754 0.515 1.00 0.00 H new ATOM 0 HG23 ILE A 63 20.588 2.536 -0.710 1.00 0.00 H new ATOM 0 HD11 ILE A 63 18.005 5.078 -0.444 1.00 0.00 H new ATOM 0 HD12 ILE A 63 19.513 4.292 -0.969 1.00 0.00 H new ATOM 0 HD13 ILE A 63 18.035 3.325 -0.748 1.00 0.00 H new ATOM 948 N ARG A 64 18.758 0.014 3.190 1.00 0.00 N ATOM 949 CA ARG A 64 19.168 -1.018 4.133 1.00 0.00 C ATOM 950 C ARG A 64 18.815 -2.395 3.590 1.00 0.00 C ATOM 951 O ARG A 64 19.569 -3.354 3.753 1.00 0.00 O ATOM 952 CB ARG A 64 18.509 -0.809 5.500 1.00 0.00 C ATOM 953 CG ARG A 64 19.343 -1.330 6.659 1.00 0.00 C ATOM 954 CD ARG A 64 18.705 -2.547 7.307 1.00 0.00 C ATOM 955 NE ARG A 64 19.408 -3.786 6.966 1.00 0.00 N ATOM 956 CZ ARG A 64 18.808 -4.963 6.796 1.00 0.00 C ATOM 957 NH1 ARG A 64 17.492 -5.075 6.935 1.00 0.00 N ATOM 958 NH2 ARG A 64 19.531 -6.032 6.488 1.00 0.00 N ATOM 0 H ARG A 64 17.852 0.439 3.388 1.00 0.00 H new ATOM 0 HA ARG A 64 20.248 -0.949 4.261 1.00 0.00 H new ATOM 0 HB2 ARG A 64 18.322 0.255 5.646 1.00 0.00 H new ATOM 0 HB3 ARG A 64 17.539 -1.307 5.507 1.00 0.00 H new ATOM 0 HG2 ARG A 64 20.340 -1.588 6.303 1.00 0.00 H new ATOM 0 HG3 ARG A 64 19.464 -0.543 7.403 1.00 0.00 H new ATOM 0 HD2 ARG A 64 18.700 -2.420 8.390 1.00 0.00 H new ATOM 0 HD3 ARG A 64 17.665 -2.622 6.990 1.00 0.00 H new ATOM 0 HE ARG A 64 20.421 -3.745 6.852 1.00 0.00 H new ATOM 0 HH11 ARG A 64 16.933 -4.256 7.174 1.00 0.00 H new ATOM 0 HH12 ARG A 64 17.040 -5.980 6.803 1.00 0.00 H new ATOM 0 HH21 ARG A 64 20.542 -5.951 6.382 1.00 0.00 H new ATOM 0 HH22 ARG A 64 19.076 -6.935 6.357 1.00 0.00 H new ATOM 972 N LEU A 65 17.647 -2.495 2.972 1.00 0.00 N ATOM 973 CA LEU A 65 17.161 -3.766 2.455 1.00 0.00 C ATOM 974 C LEU A 65 17.714 -4.056 1.064 1.00 0.00 C ATOM 975 O LEU A 65 17.983 -5.209 0.723 1.00 0.00 O ATOM 976 CB LEU A 65 15.629 -3.768 2.408 1.00 0.00 C ATOM 977 CG LEU A 65 14.936 -4.772 3.332 1.00 0.00 C ATOM 978 CD1 LEU A 65 15.757 -6.048 3.461 1.00 0.00 C ATOM 979 CD2 LEU A 65 14.691 -4.150 4.696 1.00 0.00 C ATOM 0 H LEU A 65 17.017 -1.708 2.816 1.00 0.00 H new ATOM 0 HA LEU A 65 17.509 -4.548 3.130 1.00 0.00 H new ATOM 0 HB2 LEU A 65 15.275 -2.768 2.659 1.00 0.00 H new ATOM 0 HB3 LEU A 65 15.316 -3.969 1.384 1.00 0.00 H new ATOM 0 HG LEU A 65 13.974 -5.036 2.893 1.00 0.00 H new ATOM 0 HD11 LEU A 65 15.244 -6.746 4.123 1.00 0.00 H new ATOM 0 HD12 LEU A 65 15.879 -6.503 2.478 1.00 0.00 H new ATOM 0 HD13 LEU A 65 16.737 -5.810 3.875 1.00 0.00 H new ATOM 0 HD21 LEU A 65 14.198 -4.875 5.343 1.00 0.00 H new ATOM 0 HD22 LEU A 65 15.643 -3.857 5.139 1.00 0.00 H new ATOM 0 HD23 LEU A 65 14.056 -3.271 4.586 1.00 0.00 H new ATOM 991 N PHE A 66 17.760 -3.031 0.222 1.00 0.00 N ATOM 992 CA PHE A 66 18.134 -3.222 -1.175 1.00 0.00 C ATOM 993 C PHE A 66 19.383 -2.432 -1.539 1.00 0.00 C ATOM 994 O PHE A 66 19.755 -2.358 -2.710 1.00 0.00 O ATOM 995 CB PHE A 66 16.982 -2.806 -2.091 1.00 0.00 C ATOM 996 CG PHE A 66 15.697 -3.525 -1.807 1.00 0.00 C ATOM 997 CD1 PHE A 66 15.478 -4.797 -2.302 1.00 0.00 C ATOM 998 CD2 PHE A 66 14.710 -2.930 -1.037 1.00 0.00 C ATOM 999 CE1 PHE A 66 14.299 -5.464 -2.039 1.00 0.00 C ATOM 1000 CE2 PHE A 66 13.529 -3.593 -0.772 1.00 0.00 C ATOM 1001 CZ PHE A 66 13.324 -4.863 -1.273 1.00 0.00 C ATOM 0 H PHE A 66 17.545 -2.067 0.478 1.00 0.00 H new ATOM 0 HA PHE A 66 18.351 -4.281 -1.312 1.00 0.00 H new ATOM 0 HB2 PHE A 66 16.818 -1.733 -1.990 1.00 0.00 H new ATOM 0 HB3 PHE A 66 17.269 -2.988 -3.127 1.00 0.00 H new ATOM 0 HD1 PHE A 66 16.239 -5.274 -2.902 1.00 0.00 H new ATOM 0 HD2 PHE A 66 14.867 -1.938 -0.640 1.00 0.00 H new ATOM 0 HE1 PHE A 66 14.140 -6.457 -2.433 1.00 0.00 H new ATOM 0 HE2 PHE A 66 12.766 -3.119 -0.173 1.00 0.00 H new ATOM 0 HZ PHE A 66 12.401 -5.384 -1.065 1.00 0.00 H new ATOM 1011 N GLY A 67 20.020 -1.835 -0.542 1.00 0.00 N ATOM 1012 CA GLY A 67 21.215 -1.049 -0.793 1.00 0.00 C ATOM 1013 C GLY A 67 22.402 -1.909 -1.170 1.00 0.00 C ATOM 1014 O GLY A 67 23.107 -2.428 -0.303 1.00 0.00 O ATOM 0 H GLY A 67 19.733 -1.880 0.436 1.00 0.00 H new ATOM 0 HA2 GLY A 67 21.017 -0.337 -1.594 1.00 0.00 H new ATOM 0 HA3 GLY A 67 21.458 -0.468 0.097 1.00 0.00 H new ATOM 1424 N GLU A 102 10.538 6.846 -4.239 1.00 0.00 N ATOM 1425 CA GLU A 102 9.109 7.117 -4.236 1.00 0.00 C ATOM 1426 C GLU A 102 8.481 6.790 -5.581 1.00 0.00 C ATOM 1427 O GLU A 102 9.063 7.050 -6.634 1.00 0.00 O ATOM 1428 CB GLU A 102 8.847 8.580 -3.872 1.00 0.00 C ATOM 1429 CG GLU A 102 9.459 9.582 -4.838 1.00 0.00 C ATOM 1430 CD GLU A 102 8.538 10.752 -5.118 1.00 0.00 C ATOM 1431 OE1 GLU A 102 7.499 10.876 -4.435 1.00 0.00 O ATOM 1432 OE2 GLU A 102 8.842 11.550 -6.029 1.00 0.00 O ATOM 0 HA GLU A 102 8.648 6.475 -3.485 1.00 0.00 H new ATOM 0 HB2 GLU A 102 7.770 8.745 -3.829 1.00 0.00 H new ATOM 0 HB3 GLU A 102 9.239 8.770 -2.873 1.00 0.00 H new ATOM 0 HG2 GLU A 102 10.398 9.953 -4.426 1.00 0.00 H new ATOM 0 HG3 GLU A 102 9.698 9.079 -5.775 1.00 0.00 H new ATOM 1439 N ARG A 103 7.307 6.185 -5.537 1.00 0.00 N ATOM 1440 CA ARG A 103 6.602 5.806 -6.744 1.00 0.00 C ATOM 1441 C ARG A 103 5.257 6.520 -6.829 1.00 0.00 C ATOM 1442 O ARG A 103 5.208 7.727 -7.075 1.00 0.00 O ATOM 1443 CB ARG A 103 6.415 4.288 -6.801 1.00 0.00 C ATOM 1444 CG ARG A 103 7.471 3.582 -7.635 1.00 0.00 C ATOM 1445 CD ARG A 103 8.747 3.355 -6.841 1.00 0.00 C ATOM 1446 NE ARG A 103 9.949 3.541 -7.655 1.00 0.00 N ATOM 1447 CZ ARG A 103 11.151 3.061 -7.332 1.00 0.00 C ATOM 1448 NH1 ARG A 103 11.298 2.350 -6.223 1.00 0.00 N ATOM 1449 NH2 ARG A 103 12.198 3.292 -8.114 1.00 0.00 N ATOM 0 H ARG A 103 6.822 5.946 -4.672 1.00 0.00 H new ATOM 0 HA ARG A 103 7.202 6.110 -7.602 1.00 0.00 H new ATOM 0 HB2 ARG A 103 6.436 3.888 -5.787 1.00 0.00 H new ATOM 0 HB3 ARG A 103 5.430 4.066 -7.211 1.00 0.00 H new ATOM 0 HG2 ARG A 103 7.082 2.625 -7.982 1.00 0.00 H new ATOM 0 HG3 ARG A 103 7.693 4.176 -8.521 1.00 0.00 H new ATOM 0 HD2 ARG A 103 8.773 4.043 -5.996 1.00 0.00 H new ATOM 0 HD3 ARG A 103 8.742 2.345 -6.430 1.00 0.00 H new ATOM 0 HE ARG A 103 9.862 4.070 -8.523 1.00 0.00 H new ATOM 0 HH11 ARG A 103 10.494 2.172 -5.621 1.00 0.00 H new ATOM 0 HH12 ARG A 103 12.215 1.981 -5.972 1.00 0.00 H new ATOM 0 HH21 ARG A 103 12.086 3.839 -8.967 1.00 0.00 H new ATOM 0 HH22 ARG A 103 13.115 2.922 -7.862 1.00 0.00 H new ATOM 1463 N LEU A 104 4.171 5.764 -6.711 1.00 0.00 N ATOM 1464 CA LEU A 104 2.837 6.315 -6.905 1.00 0.00 C ATOM 1465 C LEU A 104 1.975 6.246 -5.637 1.00 0.00 C ATOM 1466 O LEU A 104 1.441 5.190 -5.287 1.00 0.00 O ATOM 1467 CB LEU A 104 2.142 5.593 -8.078 1.00 0.00 C ATOM 1468 CG LEU A 104 1.712 4.131 -7.840 1.00 0.00 C ATOM 1469 CD1 LEU A 104 0.746 3.681 -8.923 1.00 0.00 C ATOM 1470 CD2 LEU A 104 2.915 3.198 -7.787 1.00 0.00 C ATOM 0 H LEU A 104 4.189 4.770 -6.482 1.00 0.00 H new ATOM 0 HA LEU A 104 2.951 7.373 -7.141 1.00 0.00 H new ATOM 0 HB2 LEU A 104 1.257 6.167 -8.353 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.814 5.614 -8.936 1.00 0.00 H new ATOM 0 HG LEU A 104 1.210 4.085 -6.874 1.00 0.00 H new ATOM 0 HD11 LEU A 104 0.452 2.647 -8.741 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -0.138 4.318 -8.909 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.231 3.754 -9.896 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.576 2.176 -7.618 1.00 0.00 H new ATOM 0 HD22 LEU A 104 3.457 3.249 -8.731 1.00 0.00 H new ATOM 0 HD23 LEU A 104 3.574 3.500 -6.974 1.00 0.00 H new ATOM 1482 N ILE A 105 1.761 7.389 -4.993 1.00 0.00 N ATOM 1483 CA ILE A 105 0.814 7.455 -3.888 1.00 0.00 C ATOM 1484 C ILE A 105 -0.408 8.267 -4.302 1.00 0.00 C ATOM 1485 O ILE A 105 -0.285 9.374 -4.830 1.00 0.00 O ATOM 1486 CB ILE A 105 1.434 8.048 -2.592 1.00 0.00 C ATOM 1487 CG1 ILE A 105 1.845 6.910 -1.655 1.00 0.00 C ATOM 1488 CG2 ILE A 105 0.460 8.991 -1.881 1.00 0.00 C ATOM 1489 CD1 ILE A 105 2.053 7.329 -0.215 1.00 0.00 C ATOM 0 H ILE A 105 2.224 8.271 -5.214 1.00 0.00 H new ATOM 0 HA ILE A 105 0.522 6.431 -3.657 1.00 0.00 H new ATOM 0 HB ILE A 105 2.312 8.631 -2.870 1.00 0.00 H new ATOM 0 HG12 ILE A 105 1.080 6.134 -1.688 1.00 0.00 H new ATOM 0 HG13 ILE A 105 2.767 6.464 -2.028 1.00 0.00 H new ATOM 0 HG21 ILE A 105 0.929 9.386 -0.980 1.00 0.00 H new ATOM 0 HG22 ILE A 105 0.200 9.815 -2.546 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -0.444 8.445 -1.611 1.00 0.00 H new ATOM 0 HD11 ILE A 105 2.342 6.461 0.378 1.00 0.00 H new ATOM 0 HD12 ILE A 105 2.840 8.081 -0.165 1.00 0.00 H new ATOM 0 HD13 ILE A 105 1.127 7.746 0.180 1.00 0.00 H new ATOM 1500 N THR A 106 -1.575 7.712 -4.047 1.00 0.00 N ATOM 1501 CA THR A 106 -2.827 8.383 -4.319 1.00 0.00 C ATOM 1502 C THR A 106 -3.655 8.411 -3.037 1.00 0.00 C ATOM 1503 O THR A 106 -3.944 7.367 -2.462 1.00 0.00 O ATOM 1504 CB THR A 106 -3.597 7.668 -5.454 1.00 0.00 C ATOM 1505 OG1 THR A 106 -2.964 7.940 -6.713 1.00 0.00 O ATOM 1506 CG2 THR A 106 -5.054 8.106 -5.510 1.00 0.00 C ATOM 0 H THR A 106 -1.681 6.781 -3.644 1.00 0.00 H new ATOM 0 HA THR A 106 -2.631 9.403 -4.649 1.00 0.00 H new ATOM 0 HB THR A 106 -3.576 6.598 -5.249 1.00 0.00 H new ATOM 0 HG1 THR A 106 -3.453 7.485 -7.430 1.00 0.00 H new ATOM 0 HG21 THR A 106 -5.561 7.581 -6.320 1.00 0.00 H new ATOM 0 HG22 THR A 106 -5.541 7.870 -4.564 1.00 0.00 H new ATOM 0 HG23 THR A 106 -5.104 9.181 -5.686 1.00 0.00 H new ATOM 1514 N ARG A 107 -3.832 9.591 -2.472 1.00 0.00 N ATOM 1515 CA ARG A 107 -4.459 9.710 -1.163 1.00 0.00 C ATOM 1516 C ARG A 107 -5.725 10.555 -1.237 1.00 0.00 C ATOM 1517 O ARG A 107 -5.734 11.620 -1.853 1.00 0.00 O ATOM 1518 CB ARG A 107 -3.468 10.317 -0.160 1.00 0.00 C ATOM 1519 CG ARG A 107 -4.095 10.747 1.161 1.00 0.00 C ATOM 1520 CD ARG A 107 -4.288 12.256 1.218 1.00 0.00 C ATOM 1521 NE ARG A 107 -3.777 12.829 2.460 1.00 0.00 N ATOM 1522 CZ ARG A 107 -2.762 13.691 2.518 1.00 0.00 C ATOM 1523 NH1 ARG A 107 -2.137 14.077 1.414 1.00 0.00 N ATOM 1524 NH2 ARG A 107 -2.365 14.169 3.688 1.00 0.00 N ATOM 0 H ARG A 107 -3.553 10.477 -2.893 1.00 0.00 H new ATOM 0 HA ARG A 107 -4.741 8.713 -0.825 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -2.684 9.588 0.044 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -2.988 11.181 -0.619 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -5.057 10.250 1.288 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -3.460 10.428 1.988 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -3.781 12.718 0.371 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -5.348 12.489 1.121 1.00 0.00 H new ATOM 0 HE ARG A 107 -4.223 12.553 3.335 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -2.432 13.714 0.508 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -1.362 14.737 1.471 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -2.836 13.877 4.544 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -1.588 14.829 3.732 1.00 0.00 H new ATOM 1538 N LEU A 108 -6.760 10.112 -0.540 1.00 0.00 N ATOM 1539 CA LEU A 108 -7.999 10.863 -0.432 1.00 0.00 C ATOM 1540 C LEU A 108 -8.561 10.704 0.966 1.00 0.00 C ATOM 1541 O LEU A 108 -8.520 9.617 1.537 1.00 0.00 O ATOM 1542 CB LEU A 108 -9.021 10.392 -1.470 1.00 0.00 C ATOM 1543 CG LEU A 108 -8.813 10.949 -2.879 1.00 0.00 C ATOM 1544 CD1 LEU A 108 -8.724 9.820 -3.890 1.00 0.00 C ATOM 1545 CD2 LEU A 108 -9.936 11.907 -3.245 1.00 0.00 C ATOM 0 H LEU A 108 -6.764 9.225 -0.036 1.00 0.00 H new ATOM 0 HA LEU A 108 -7.789 11.915 -0.625 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -8.993 9.303 -1.518 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -10.018 10.670 -1.129 1.00 0.00 H new ATOM 0 HG LEU A 108 -7.873 11.500 -2.896 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -8.576 10.235 -4.887 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -7.885 9.172 -3.639 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -9.648 9.241 -3.871 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -9.771 12.293 -4.251 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -10.890 11.380 -3.210 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -9.953 12.735 -2.536 1.00 0.00 H new ATOM 1557 N GLU A 109 -8.959 11.810 1.560 1.00 0.00 N ATOM 1558 CA GLU A 109 -9.411 11.803 2.938 1.00 0.00 C ATOM 1559 C GLU A 109 -10.877 12.200 3.029 1.00 0.00 C ATOM 1560 O GLU A 109 -11.418 12.749 2.073 1.00 0.00 O ATOM 1561 CB GLU A 109 -8.552 12.751 3.776 1.00 0.00 C ATOM 1562 CG GLU A 109 -7.841 13.816 2.957 1.00 0.00 C ATOM 1563 CD GLU A 109 -7.301 14.943 3.806 1.00 0.00 C ATOM 1564 OE1 GLU A 109 -8.107 15.751 4.308 1.00 0.00 O ATOM 1565 OE2 GLU A 109 -6.065 15.029 3.967 1.00 0.00 O ATOM 0 H GLU A 109 -8.979 12.726 1.111 1.00 0.00 H new ATOM 0 HA GLU A 109 -9.308 10.791 3.329 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -9.183 13.238 4.519 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -7.809 12.168 4.321 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -7.020 13.357 2.406 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -8.532 14.222 2.219 1.00 0.00 H new