USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 750 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 73 THR OG1 : rot 87:sc= 0.0237 USER MOD Set 1.2: A 92 HIS : no HD1:sc= 0.502 K(o=0.53,f=-2.2!) USER MOD Set 2.1: A 63 ASN : amide:sc= -6.04! K(o=-7!,f=-2.1) USER MOD Set 2.2: A 65 LYS NZ :NH3+ -118:sc= -0.987 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -1.39 K(o=-1.4,f=-4.1!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= -0.83 K(o=-0.83,f=-0.19) USER MOD Single : A 27 MET CE :methyl -179:sc= -0.724 (180deg=-0.73) USER MOD Single : A 28 THR OG1 : rot -86:sc= 1.14 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.244 X(o=-0.24,f=0) USER MOD Single : A 34 CYS SG : rot -160:sc= 0 USER MOD Single : A 40 SER OG : rot -54:sc= 0.231 USER MOD Single : A 43 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 45 THR OG1 : rot -150:sc= -0.985 USER MOD Single : A 46 GLN : amide:sc= 0.0938 K(o=0.094,f=-0.77) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -3.14 X(o=-3.1,f=-3.5!) USER MOD Single : A 56 THR OG1 : rot 83:sc= 1.24 USER MOD Single : A 58 GLN : amide:sc= -0.179 K(o=-0.18,f=-0.95) USER MOD Single : A 67 GLN : amide:sc= -3.16! X(o=-3.2!,f=-3.2) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.52 K(o=-0.52,f=0) USER MOD Single : A 76 GLN : amide:sc= -7.01! C(o=-7!,f=-3.9!) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -7.75! C(o=-7.8!,f=-7!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= -1.5 K(o=-1.5,f=-0.45) USER MOD Single : A 93 SER OG : rot 180:sc= -0.067 USER MOD Single : A 94 TYR OH : rot -123:sc= 0.55 USER MOD Single : A 98 HIS : no HD1:sc= -0.792 X(o=-0.79,f=-0.59) USER MOD Single : A 102 ASN : amide:sc= -4.22! C(o=-4.2!,f=-8.6!) USER MOD ----------------------------------------------------------------- ATOM 128 N VAL A 13 -2.281 5.135 -17.308 1.00 0.00 N ATOM 129 CA VAL A 13 -2.200 4.524 -15.987 1.00 0.00 C ATOM 130 C VAL A 13 -3.381 4.940 -15.116 1.00 0.00 C ATOM 131 O VAL A 13 -3.982 4.112 -14.433 1.00 0.00 O ATOM 132 CB VAL A 13 -0.890 4.905 -15.272 1.00 0.00 C ATOM 133 CG1 VAL A 13 -0.862 4.327 -13.865 1.00 0.00 C ATOM 134 CG2 VAL A 13 0.312 4.431 -16.075 1.00 0.00 C ATOM 0 HA VAL A 13 -2.224 3.444 -16.135 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.841 5.991 -15.194 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.071 4.606 -13.375 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.703 4.719 -13.294 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.933 3.241 -13.916 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.229 4.709 -15.555 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.271 3.347 -16.186 1.00 0.00 H new ATOM 0 HG23 VAL A 13 0.298 4.897 -17.060 1.00 0.00 H new ATOM 144 N GLU A 14 -3.707 6.228 -15.147 1.00 0.00 N ATOM 145 CA GLU A 14 -4.816 6.753 -14.360 1.00 0.00 C ATOM 146 C GLU A 14 -6.066 5.897 -14.542 1.00 0.00 C ATOM 147 O GLU A 14 -6.691 5.477 -13.569 1.00 0.00 O ATOM 148 CB GLU A 14 -5.114 8.200 -14.759 1.00 0.00 C ATOM 149 CG GLU A 14 -4.187 9.214 -14.109 1.00 0.00 C ATOM 150 CD GLU A 14 -4.017 10.468 -14.944 1.00 0.00 C ATOM 151 OE1 GLU A 14 -4.912 11.339 -14.895 1.00 0.00 O ATOM 152 OE2 GLU A 14 -2.991 10.580 -15.647 1.00 0.00 O ATOM 0 H GLU A 14 -3.219 6.926 -15.708 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.527 6.725 -13.309 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.037 8.292 -15.842 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -6.144 8.437 -14.491 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.581 9.485 -13.129 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.212 8.756 -13.945 1.00 0.00 H new ATOM 159 N GLY A 15 -6.425 5.642 -15.796 1.00 0.00 N ATOM 160 CA GLY A 15 -7.598 4.838 -16.084 1.00 0.00 C ATOM 161 C GLY A 15 -7.811 3.738 -15.064 1.00 0.00 C ATOM 162 O GLY A 15 -8.917 3.558 -14.556 1.00 0.00 O ATOM 0 H GLY A 15 -5.924 5.978 -16.618 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.478 5.481 -16.110 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.497 4.396 -17.075 1.00 0.00 H new ATOM 166 N ALA A 16 -6.749 2.997 -14.764 1.00 0.00 N ATOM 167 CA ALA A 16 -6.824 1.909 -13.798 1.00 0.00 C ATOM 168 C ALA A 16 -7.682 2.297 -12.599 1.00 0.00 C ATOM 169 O ALA A 16 -8.656 1.618 -12.275 1.00 0.00 O ATOM 170 CB ALA A 16 -5.428 1.509 -13.343 1.00 0.00 C ATOM 0 H ALA A 16 -5.826 3.131 -15.177 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.294 1.055 -14.286 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.500 0.695 -12.621 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.845 1.181 -14.203 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.938 2.364 -12.878 1.00 0.00 H new ATOM 176 N ALA A 17 -7.314 3.393 -11.944 1.00 0.00 N ATOM 177 CA ALA A 17 -8.052 3.873 -10.782 1.00 0.00 C ATOM 178 C ALA A 17 -9.543 3.588 -10.922 1.00 0.00 C ATOM 179 O ALA A 17 -10.221 3.274 -9.943 1.00 0.00 O ATOM 180 CB ALA A 17 -7.813 5.362 -10.582 1.00 0.00 C ATOM 0 H ALA A 17 -6.509 3.965 -12.198 1.00 0.00 H new ATOM 0 HA ALA A 17 -7.688 3.338 -9.905 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.370 5.706 -9.711 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.749 5.542 -10.427 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.148 5.906 -11.465 1.00 0.00 H new ATOM 186 N PHE A 18 -10.050 3.701 -12.146 1.00 0.00 N ATOM 187 CA PHE A 18 -11.462 3.458 -12.414 1.00 0.00 C ATOM 188 C PHE A 18 -11.970 2.262 -11.613 1.00 0.00 C ATOM 189 O PHE A 18 -12.936 2.373 -10.858 1.00 0.00 O ATOM 190 CB PHE A 18 -11.685 3.217 -13.908 1.00 0.00 C ATOM 191 CG PHE A 18 -12.990 2.541 -14.218 1.00 0.00 C ATOM 192 CD1 PHE A 18 -14.192 3.199 -14.013 1.00 0.00 C ATOM 193 CD2 PHE A 18 -13.016 1.248 -14.715 1.00 0.00 C ATOM 194 CE1 PHE A 18 -15.395 2.580 -14.297 1.00 0.00 C ATOM 195 CE2 PHE A 18 -14.215 0.623 -15.001 1.00 0.00 C ATOM 196 CZ PHE A 18 -15.406 1.291 -14.793 1.00 0.00 C ATOM 0 H PHE A 18 -9.503 3.959 -12.967 1.00 0.00 H new ATOM 0 HA PHE A 18 -12.022 4.342 -12.108 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -11.646 4.172 -14.432 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -10.868 2.608 -14.295 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -14.189 4.208 -13.627 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -12.088 0.722 -14.881 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -16.325 3.104 -14.131 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -14.221 -0.386 -15.386 1.00 0.00 H new ATOM 0 HZ PHE A 18 -16.344 0.806 -15.018 1.00 0.00 H new ATOM 206 N GLN A 19 -11.311 1.120 -11.785 1.00 0.00 N ATOM 207 CA GLN A 19 -11.697 -0.096 -11.079 1.00 0.00 C ATOM 208 C GLN A 19 -12.020 0.201 -9.618 1.00 0.00 C ATOM 209 O GLN A 19 -12.954 -0.367 -9.051 1.00 0.00 O ATOM 210 CB GLN A 19 -10.578 -1.136 -11.165 1.00 0.00 C ATOM 211 CG GLN A 19 -9.370 -0.803 -10.305 1.00 0.00 C ATOM 212 CD GLN A 19 -8.407 -1.967 -10.175 1.00 0.00 C ATOM 213 OE1 GLN A 19 -7.605 -2.227 -11.073 1.00 0.00 O ATOM 214 NE2 GLN A 19 -8.481 -2.675 -9.054 1.00 0.00 N ATOM 0 H GLN A 19 -10.509 1.012 -12.406 1.00 0.00 H new ATOM 0 HA GLN A 19 -12.593 -0.494 -11.556 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.972 -2.107 -10.863 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -10.260 -1.230 -12.203 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -8.846 0.050 -10.736 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -9.707 -0.503 -9.313 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -9.161 -2.424 -8.336 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -7.858 -3.470 -8.911 1.00 0.00 H new ATOM 223 N SER A 20 -11.242 1.093 -9.015 1.00 0.00 N ATOM 224 CA SER A 20 -11.443 1.462 -7.618 1.00 0.00 C ATOM 225 C SER A 20 -12.312 2.711 -7.506 1.00 0.00 C ATOM 226 O SER A 20 -12.180 3.646 -8.297 1.00 0.00 O ATOM 227 CB SER A 20 -10.096 1.701 -6.933 1.00 0.00 C ATOM 228 OG SER A 20 -9.404 0.482 -6.730 1.00 0.00 O ATOM 0 H SER A 20 -10.467 1.574 -9.471 1.00 0.00 H new ATOM 0 HA SER A 20 -11.955 0.638 -7.120 1.00 0.00 H new ATOM 0 HB2 SER A 20 -9.489 2.371 -7.542 1.00 0.00 H new ATOM 0 HB3 SER A 20 -10.254 2.197 -5.975 1.00 0.00 H new ATOM 0 HG SER A 20 -8.546 0.662 -6.292 1.00 0.00 H new ATOM 234 N ARG A 21 -13.201 2.719 -6.518 1.00 0.00 N ATOM 235 CA ARG A 21 -14.093 3.852 -6.303 1.00 0.00 C ATOM 236 C ARG A 21 -13.395 4.949 -5.503 1.00 0.00 C ATOM 237 O ARG A 21 -13.991 5.557 -4.613 1.00 0.00 O ATOM 238 CB ARG A 21 -15.358 3.400 -5.572 1.00 0.00 C ATOM 239 CG ARG A 21 -16.324 2.621 -6.450 1.00 0.00 C ATOM 240 CD ARG A 21 -17.749 2.712 -5.928 1.00 0.00 C ATOM 241 NE ARG A 21 -18.628 1.733 -6.562 1.00 0.00 N ATOM 242 CZ ARG A 21 -19.169 1.901 -7.764 1.00 0.00 C ATOM 243 NH1 ARG A 21 -18.922 3.004 -8.457 1.00 0.00 N ATOM 244 NH2 ARG A 21 -19.958 0.965 -8.274 1.00 0.00 N ATOM 0 H ARG A 21 -13.323 1.954 -5.854 1.00 0.00 H new ATOM 0 HA ARG A 21 -14.369 4.256 -7.277 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -15.074 2.781 -4.721 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -15.869 4.276 -5.173 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -16.283 3.007 -7.469 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -16.017 1.576 -6.492 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -17.751 2.555 -4.849 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -18.136 3.715 -6.105 1.00 0.00 H new ATOM 0 HE ARG A 21 -18.838 0.874 -6.054 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -18.316 3.726 -8.068 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -19.338 3.131 -9.379 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -20.150 0.115 -7.743 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -20.373 1.095 -9.197 1.00 0.00 H new ATOM 258 N LEU A 22 -12.131 5.196 -5.826 1.00 0.00 N ATOM 259 CA LEU A 22 -11.351 6.219 -5.139 1.00 0.00 C ATOM 260 C LEU A 22 -10.652 7.135 -6.138 1.00 0.00 C ATOM 261 O LEU A 22 -10.335 6.742 -7.261 1.00 0.00 O ATOM 262 CB LEU A 22 -10.318 5.568 -4.217 1.00 0.00 C ATOM 263 CG LEU A 22 -9.227 4.748 -4.906 1.00 0.00 C ATOM 264 CD1 LEU A 22 -8.053 5.636 -5.289 1.00 0.00 C ATOM 265 CD2 LEU A 22 -8.766 3.611 -4.006 1.00 0.00 C ATOM 0 H LEU A 22 -11.624 4.702 -6.560 1.00 0.00 H new ATOM 0 HA LEU A 22 -12.035 6.821 -4.541 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.839 6.352 -3.630 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -10.844 4.920 -3.516 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.643 4.318 -5.817 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.286 5.035 -5.778 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.393 6.415 -5.971 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -7.637 6.095 -4.393 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.989 3.038 -4.513 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.368 4.020 -3.078 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -9.610 2.959 -3.782 1.00 0.00 H new ATOM 277 N PRO A 23 -10.404 8.386 -5.722 1.00 0.00 N ATOM 278 CA PRO A 23 -9.737 9.382 -6.565 1.00 0.00 C ATOM 279 C PRO A 23 -8.263 9.059 -6.789 1.00 0.00 C ATOM 280 O PRO A 23 -7.583 8.560 -5.892 1.00 0.00 O ATOM 281 CB PRO A 23 -9.884 10.679 -5.765 1.00 0.00 C ATOM 282 CG PRO A 23 -10.024 10.237 -4.349 1.00 0.00 C ATOM 283 CD PRO A 23 -10.754 8.923 -4.396 1.00 0.00 C ATOM 0 HA PRO A 23 -10.173 9.428 -7.563 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -9.015 11.324 -5.894 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -10.755 11.248 -6.090 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -9.048 10.125 -3.877 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -10.578 10.971 -3.764 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -10.434 8.256 -3.595 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -11.830 9.057 -4.288 1.00 0.00 H new ATOM 291 N HIS A 24 -7.775 9.348 -7.992 1.00 0.00 N ATOM 292 CA HIS A 24 -6.381 9.089 -8.333 1.00 0.00 C ATOM 293 C HIS A 24 -5.525 10.330 -8.099 1.00 0.00 C ATOM 294 O HIS A 24 -4.316 10.231 -7.889 1.00 0.00 O ATOM 295 CB HIS A 24 -6.266 8.643 -9.791 1.00 0.00 C ATOM 296 CG HIS A 24 -6.658 9.702 -10.775 1.00 0.00 C ATOM 297 ND1 HIS A 24 -7.913 9.775 -11.341 1.00 0.00 N ATOM 298 CD2 HIS A 24 -5.953 10.736 -11.291 1.00 0.00 C ATOM 299 CE1 HIS A 24 -7.963 10.807 -12.164 1.00 0.00 C ATOM 300 NE2 HIS A 24 -6.786 11.407 -12.152 1.00 0.00 N ATOM 0 H HIS A 24 -8.324 9.761 -8.746 1.00 0.00 H new ATOM 0 HA HIS A 24 -6.016 8.291 -7.687 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -5.239 8.338 -9.989 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -6.894 7.766 -9.944 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -4.927 10.987 -11.067 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -8.820 11.109 -12.747 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -6.537 12.234 -12.694 1.00 0.00 H new ATOM 309 N ASP A 25 -6.159 11.496 -8.139 1.00 0.00 N ATOM 310 CA ASP A 25 -5.456 12.757 -7.931 1.00 0.00 C ATOM 311 C ASP A 25 -5.290 13.048 -6.443 1.00 0.00 C ATOM 312 O ASP A 25 -4.409 13.809 -6.043 1.00 0.00 O ATOM 313 CB ASP A 25 -6.209 13.904 -8.606 1.00 0.00 C ATOM 314 CG ASP A 25 -7.408 14.363 -7.800 1.00 0.00 C ATOM 315 OD1 ASP A 25 -8.327 13.544 -7.584 1.00 0.00 O ATOM 316 OD2 ASP A 25 -7.428 15.540 -7.385 1.00 0.00 O ATOM 0 H ASP A 25 -7.159 11.595 -8.314 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.466 12.670 -8.379 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -5.530 14.744 -8.752 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -6.540 13.586 -9.595 1.00 0.00 H new ATOM 321 N ARG A 26 -6.143 12.437 -5.627 1.00 0.00 N ATOM 322 CA ARG A 26 -6.093 12.632 -4.183 1.00 0.00 C ATOM 323 C ARG A 26 -6.236 11.302 -3.449 1.00 0.00 C ATOM 324 O ARG A 26 -6.664 10.305 -4.030 1.00 0.00 O ATOM 325 CB ARG A 26 -7.196 13.593 -3.738 1.00 0.00 C ATOM 326 CG ARG A 26 -8.563 13.260 -4.313 1.00 0.00 C ATOM 327 CD ARG A 26 -9.579 14.348 -4.003 1.00 0.00 C ATOM 328 NE ARG A 26 -10.949 13.903 -4.242 1.00 0.00 N ATOM 329 CZ ARG A 26 -12.020 14.540 -3.782 1.00 0.00 C ATOM 330 NH1 ARG A 26 -11.880 15.645 -3.064 1.00 0.00 N ATOM 331 NH2 ARG A 26 -13.234 14.072 -4.042 1.00 0.00 N ATOM 0 H ARG A 26 -6.877 11.803 -5.942 1.00 0.00 H new ATOM 0 HA ARG A 26 -5.123 13.062 -3.934 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -7.257 13.584 -2.650 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.924 14.606 -4.033 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.483 13.132 -5.393 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.909 12.311 -3.904 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -9.474 14.656 -2.963 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -9.370 15.224 -4.617 1.00 0.00 H new ATOM 0 HE ARG A 26 -11.091 13.056 -4.793 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -10.948 16.008 -2.863 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -12.704 16.132 -2.712 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -13.345 13.222 -4.595 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -14.056 14.562 -3.688 1.00 0.00 H new ATOM 345 N MET A 27 -5.874 11.296 -2.170 1.00 0.00 N ATOM 346 CA MET A 27 -5.963 10.088 -1.358 1.00 0.00 C ATOM 347 C MET A 27 -7.244 10.084 -0.529 1.00 0.00 C ATOM 348 O MET A 27 -7.893 11.117 -0.365 1.00 0.00 O ATOM 349 CB MET A 27 -4.746 9.977 -0.437 1.00 0.00 C ATOM 350 CG MET A 27 -3.418 10.078 -1.170 1.00 0.00 C ATOM 351 SD MET A 27 -2.029 10.355 -0.055 1.00 0.00 S ATOM 352 CE MET A 27 -2.129 8.898 0.981 1.00 0.00 C ATOM 0 H MET A 27 -5.517 12.113 -1.674 1.00 0.00 H new ATOM 0 HA MET A 27 -5.982 9.229 -2.029 1.00 0.00 H new ATOM 0 HB2 MET A 27 -4.797 10.764 0.315 1.00 0.00 H new ATOM 0 HB3 MET A 27 -4.788 9.026 0.093 1.00 0.00 H new ATOM 0 HG2 MET A 27 -3.248 9.161 -1.735 1.00 0.00 H new ATOM 0 HG3 MET A 27 -3.467 10.893 -1.892 1.00 0.00 H new ATOM 0 HE1 MET A 27 -1.343 8.933 1.735 1.00 0.00 H new ATOM 0 HE2 MET A 27 -3.102 8.867 1.472 1.00 0.00 H new ATOM 0 HE3 MET A 27 -2.003 8.006 0.367 1.00 0.00 H new ATOM 362 N THR A 28 -7.603 8.914 -0.009 1.00 0.00 N ATOM 363 CA THR A 28 -8.806 8.775 0.801 1.00 0.00 C ATOM 364 C THR A 28 -8.459 8.490 2.258 1.00 0.00 C ATOM 365 O THR A 28 -7.293 8.294 2.601 1.00 0.00 O ATOM 366 CB THR A 28 -9.712 7.647 0.271 1.00 0.00 C ATOM 367 OG1 THR A 28 -9.028 6.392 0.348 1.00 0.00 O ATOM 368 CG2 THR A 28 -10.128 7.917 -1.167 1.00 0.00 C ATOM 0 H THR A 28 -7.077 8.049 -0.135 1.00 0.00 H new ATOM 0 HA THR A 28 -9.341 9.722 0.737 1.00 0.00 H new ATOM 0 HB THR A 28 -10.608 7.610 0.890 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.489 6.263 -0.460 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.767 7.107 -1.519 1.00 0.00 H new ATOM 0 HG22 THR A 28 -10.675 8.859 -1.217 1.00 0.00 H new ATOM 0 HG23 THR A 28 -9.241 7.979 -1.797 1.00 0.00 H new ATOM 376 N SER A 29 -9.478 8.469 3.111 1.00 0.00 N ATOM 377 CA SER A 29 -9.280 8.211 4.532 1.00 0.00 C ATOM 378 C SER A 29 -8.394 6.987 4.744 1.00 0.00 C ATOM 379 O SER A 29 -7.554 6.964 5.643 1.00 0.00 O ATOM 380 CB SER A 29 -10.627 8.007 5.228 1.00 0.00 C ATOM 381 OG SER A 29 -10.572 8.428 6.580 1.00 0.00 O ATOM 0 H SER A 29 -10.449 8.628 2.843 1.00 0.00 H new ATOM 0 HA SER A 29 -8.782 9.078 4.967 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.400 8.566 4.701 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.907 6.955 5.183 1.00 0.00 H new ATOM 0 HG SER A 29 -11.446 8.289 7.002 1.00 0.00 H new ATOM 387 N GLN A 30 -8.590 5.971 3.909 1.00 0.00 N ATOM 388 CA GLN A 30 -7.810 4.743 4.005 1.00 0.00 C ATOM 389 C GLN A 30 -6.345 5.001 3.670 1.00 0.00 C ATOM 390 O GLN A 30 -5.479 4.936 4.541 1.00 0.00 O ATOM 391 CB GLN A 30 -8.380 3.678 3.068 1.00 0.00 C ATOM 392 CG GLN A 30 -8.060 2.255 3.497 1.00 0.00 C ATOM 393 CD GLN A 30 -9.135 1.267 3.092 1.00 0.00 C ATOM 394 OE1 GLN A 30 -9.426 0.315 3.818 1.00 0.00 O ATOM 395 NE2 GLN A 30 -9.734 1.487 1.928 1.00 0.00 N ATOM 0 H GLN A 30 -9.282 5.974 3.159 1.00 0.00 H new ATOM 0 HA GLN A 30 -7.871 4.383 5.032 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -9.462 3.797 3.012 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.989 3.842 2.064 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -7.110 1.952 3.057 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.934 2.226 4.579 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -9.462 2.288 1.358 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -10.466 0.855 1.604 1.00 0.00 H new ATOM 404 N GLU A 31 -6.076 5.294 2.401 1.00 0.00 N ATOM 405 CA GLU A 31 -4.714 5.560 1.952 1.00 0.00 C ATOM 406 C GLU A 31 -4.021 6.556 2.877 1.00 0.00 C ATOM 407 O GLU A 31 -2.826 6.440 3.146 1.00 0.00 O ATOM 408 CB GLU A 31 -4.723 6.099 0.520 1.00 0.00 C ATOM 409 CG GLU A 31 -5.105 5.059 -0.520 1.00 0.00 C ATOM 410 CD GLU A 31 -6.595 4.777 -0.543 1.00 0.00 C ATOM 411 OE1 GLU A 31 -7.334 5.539 -1.201 1.00 0.00 O ATOM 412 OE2 GLU A 31 -7.022 3.794 0.098 1.00 0.00 O ATOM 0 H GLU A 31 -6.782 5.353 1.667 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.160 4.622 1.977 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.421 6.934 0.460 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.734 6.492 0.282 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.789 5.402 -1.505 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.567 4.133 -0.317 1.00 0.00 H new ATOM 419 N ALA A 32 -4.780 7.534 3.361 1.00 0.00 N ATOM 420 CA ALA A 32 -4.240 8.548 4.257 1.00 0.00 C ATOM 421 C ALA A 32 -3.802 7.934 5.582 1.00 0.00 C ATOM 422 O ALA A 32 -2.776 8.315 6.144 1.00 0.00 O ATOM 423 CB ALA A 32 -5.269 9.643 4.496 1.00 0.00 C ATOM 0 H ALA A 32 -5.771 7.645 3.147 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.362 8.986 3.782 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.852 10.394 5.167 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.530 10.110 3.547 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.163 9.211 4.946 1.00 0.00 H new ATOM 429 N ALA A 33 -4.586 6.981 6.075 1.00 0.00 N ATOM 430 CA ALA A 33 -4.278 6.313 7.333 1.00 0.00 C ATOM 431 C ALA A 33 -3.079 5.382 7.181 1.00 0.00 C ATOM 432 O ALA A 33 -2.232 5.295 8.071 1.00 0.00 O ATOM 433 CB ALA A 33 -5.490 5.539 7.831 1.00 0.00 C ATOM 0 H ALA A 33 -5.439 6.654 5.622 1.00 0.00 H new ATOM 0 HA ALA A 33 -4.022 7.076 8.068 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.245 5.045 8.771 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.321 6.226 7.988 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.773 4.790 7.091 1.00 0.00 H new ATOM 439 N CYS A 34 -3.015 4.688 6.050 1.00 0.00 N ATOM 440 CA CYS A 34 -1.920 3.762 5.783 1.00 0.00 C ATOM 441 C CYS A 34 -0.632 4.518 5.474 1.00 0.00 C ATOM 442 O CYS A 34 0.446 4.143 5.935 1.00 0.00 O ATOM 443 CB CYS A 34 -2.278 2.841 4.616 1.00 0.00 C ATOM 444 SG CYS A 34 -3.104 1.311 5.111 1.00 0.00 S ATOM 0 H CYS A 34 -3.708 4.749 5.304 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.760 3.159 6.677 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -2.923 3.383 3.924 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.367 2.590 4.072 1.00 0.00 H new ATOM 0 HG CYS A 34 -2.992 0.431 4.161 1.00 0.00 H new ATOM 450 N PHE A 35 -0.751 5.584 4.688 1.00 0.00 N ATOM 451 CA PHE A 35 0.404 6.391 4.315 1.00 0.00 C ATOM 452 C PHE A 35 0.238 7.831 4.791 1.00 0.00 C ATOM 453 O PHE A 35 -0.244 8.701 4.065 1.00 0.00 O ATOM 454 CB PHE A 35 0.603 6.364 2.798 1.00 0.00 C ATOM 455 CG PHE A 35 0.631 4.977 2.222 1.00 0.00 C ATOM 456 CD1 PHE A 35 -0.536 4.241 2.096 1.00 0.00 C ATOM 457 CD2 PHE A 35 1.825 4.410 1.805 1.00 0.00 C ATOM 458 CE1 PHE A 35 -0.512 2.964 1.567 1.00 0.00 C ATOM 459 CE2 PHE A 35 1.855 3.134 1.275 1.00 0.00 C ATOM 460 CZ PHE A 35 0.685 2.411 1.155 1.00 0.00 C ATOM 0 H PHE A 35 -1.636 5.908 4.298 1.00 0.00 H new ATOM 0 HA PHE A 35 1.284 5.966 4.798 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.199 6.930 2.324 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.537 6.870 2.553 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.475 4.670 2.415 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.743 4.972 1.895 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.428 2.399 1.476 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.792 2.703 0.955 1.00 0.00 H new ATOM 0 HZ PHE A 35 0.706 1.414 0.740 1.00 0.00 H new ATOM 470 N PRO A 36 0.647 8.091 6.042 1.00 0.00 N ATOM 471 CA PRO A 36 0.555 9.424 6.645 1.00 0.00 C ATOM 472 C PRO A 36 1.530 10.413 6.016 1.00 0.00 C ATOM 473 O PRO A 36 1.181 11.566 5.762 1.00 0.00 O ATOM 474 CB PRO A 36 0.916 9.175 8.112 1.00 0.00 C ATOM 475 CG PRO A 36 1.758 7.947 8.092 1.00 0.00 C ATOM 476 CD PRO A 36 1.232 7.102 6.964 1.00 0.00 C ATOM 0 HA PRO A 36 -0.430 9.869 6.504 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.459 10.020 8.535 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.023 9.033 8.721 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.808 8.196 7.936 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.694 7.415 9.041 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.027 6.528 6.487 1.00 0.00 H new ATOM 0 HD3 PRO A 36 0.487 6.386 7.311 1.00 0.00 H new ATOM 484 N ASP A 37 2.752 9.956 5.769 1.00 0.00 N ATOM 485 CA ASP A 37 3.777 10.801 5.168 1.00 0.00 C ATOM 486 C ASP A 37 3.337 11.297 3.794 1.00 0.00 C ATOM 487 O ASP A 37 3.615 12.435 3.416 1.00 0.00 O ATOM 488 CB ASP A 37 5.095 10.033 5.048 1.00 0.00 C ATOM 489 CG ASP A 37 5.919 10.095 6.319 1.00 0.00 C ATOM 490 OD1 ASP A 37 6.155 11.215 6.818 1.00 0.00 O ATOM 491 OD2 ASP A 37 6.328 9.024 6.814 1.00 0.00 O ATOM 0 H ASP A 37 3.057 9.005 5.976 1.00 0.00 H new ATOM 0 HA ASP A 37 3.926 11.665 5.816 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.884 8.991 4.805 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.676 10.442 4.221 1.00 0.00 H new ATOM 496 N ILE A 38 2.649 10.436 3.052 1.00 0.00 N ATOM 497 CA ILE A 38 2.170 10.787 1.721 1.00 0.00 C ATOM 498 C ILE A 38 1.087 11.859 1.792 1.00 0.00 C ATOM 499 O ILE A 38 1.199 12.910 1.161 1.00 0.00 O ATOM 500 CB ILE A 38 1.612 9.558 0.981 1.00 0.00 C ATOM 501 CG1 ILE A 38 2.690 8.480 0.851 1.00 0.00 C ATOM 502 CG2 ILE A 38 1.086 9.958 -0.390 1.00 0.00 C ATOM 503 CD1 ILE A 38 3.898 8.928 0.058 1.00 0.00 C ATOM 0 H ILE A 38 2.411 9.490 3.350 1.00 0.00 H new ATOM 0 HA ILE A 38 3.027 11.175 1.169 1.00 0.00 H new ATOM 0 HB ILE A 38 0.784 9.149 1.560 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.011 8.177 1.847 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.258 7.601 0.374 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.695 9.078 -0.901 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.290 10.694 -0.274 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.896 10.389 -0.979 1.00 0.00 H new ATOM 0 HD11 ILE A 38 4.621 8.114 0.006 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.589 9.204 -0.950 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.355 9.789 0.546 1.00 0.00 H new ATOM 515 N ILE A 39 0.042 11.586 2.564 1.00 0.00 N ATOM 516 CA ILE A 39 -1.060 12.528 2.720 1.00 0.00 C ATOM 517 C ILE A 39 -0.589 13.819 3.381 1.00 0.00 C ATOM 518 O ILE A 39 -1.162 14.886 3.160 1.00 0.00 O ATOM 519 CB ILE A 39 -2.204 11.924 3.555 1.00 0.00 C ATOM 520 CG1 ILE A 39 -3.374 12.906 3.643 1.00 0.00 C ATOM 521 CG2 ILE A 39 -1.708 11.557 4.946 1.00 0.00 C ATOM 522 CD1 ILE A 39 -4.162 13.024 2.357 1.00 0.00 C ATOM 0 H ILE A 39 -0.066 10.720 3.092 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.431 12.749 1.719 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.552 11.016 3.063 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.044 12.590 4.442 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.992 13.889 3.917 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.528 11.131 5.524 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.904 10.826 4.864 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.336 12.451 5.447 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.975 13.737 2.493 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.506 13.370 1.559 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.574 12.050 2.092 1.00 0.00 H new ATOM 534 N SER A 40 0.458 13.715 4.192 1.00 0.00 N ATOM 535 CA SER A 40 1.005 14.874 4.887 1.00 0.00 C ATOM 536 C SER A 40 2.278 15.366 4.205 1.00 0.00 C ATOM 537 O SER A 40 3.184 15.886 4.856 1.00 0.00 O ATOM 538 CB SER A 40 1.298 14.527 6.349 1.00 0.00 C ATOM 539 OG SER A 40 1.501 15.699 7.120 1.00 0.00 O ATOM 0 H SER A 40 0.945 12.840 4.384 1.00 0.00 H new ATOM 0 HA SER A 40 0.263 15.672 4.851 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.468 13.954 6.764 1.00 0.00 H new ATOM 0 HB3 SER A 40 2.183 13.893 6.405 1.00 0.00 H new ATOM 0 HG SER A 40 2.200 16.246 6.705 1.00 0.00 H new ATOM 545 N GLY A 41 2.340 15.197 2.888 1.00 0.00 N ATOM 546 CA GLY A 41 3.505 15.629 2.138 1.00 0.00 C ATOM 547 C GLY A 41 3.151 16.584 1.016 1.00 0.00 C ATOM 548 O GLY A 41 1.997 16.981 0.850 1.00 0.00 O ATOM 0 H GLY A 41 1.604 14.768 2.327 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.210 16.113 2.814 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.010 14.757 1.723 1.00 0.00 H new ATOM 552 N PRO A 42 4.161 16.971 0.222 1.00 0.00 N ATOM 553 CA PRO A 42 3.975 17.892 -0.903 1.00 0.00 C ATOM 554 C PRO A 42 3.189 17.259 -2.046 1.00 0.00 C ATOM 555 O PRO A 42 3.300 16.060 -2.298 1.00 0.00 O ATOM 556 CB PRO A 42 5.407 18.203 -1.347 1.00 0.00 C ATOM 557 CG PRO A 42 6.204 17.023 -0.908 1.00 0.00 C ATOM 558 CD PRO A 42 5.561 16.538 0.362 1.00 0.00 C ATOM 0 HA PRO A 42 3.401 18.774 -0.618 1.00 0.00 H new ATOM 0 HB2 PRO A 42 5.466 18.341 -2.427 1.00 0.00 H new ATOM 0 HB3 PRO A 42 5.773 19.121 -0.888 1.00 0.00 H new ATOM 0 HG2 PRO A 42 6.199 16.244 -1.670 1.00 0.00 H new ATOM 0 HG3 PRO A 42 7.245 17.297 -0.738 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.639 15.456 0.464 1.00 0.00 H new ATOM 0 HD3 PRO A 42 6.031 16.976 1.243 1.00 0.00 H new ATOM 566 N GLN A 43 2.396 18.074 -2.735 1.00 0.00 N ATOM 567 CA GLN A 43 1.591 17.592 -3.851 1.00 0.00 C ATOM 568 C GLN A 43 2.339 16.521 -4.639 1.00 0.00 C ATOM 569 O GLN A 43 1.773 15.484 -4.985 1.00 0.00 O ATOM 570 CB GLN A 43 1.215 18.752 -4.775 1.00 0.00 C ATOM 571 CG GLN A 43 0.029 18.453 -5.677 1.00 0.00 C ATOM 572 CD GLN A 43 -1.300 18.756 -5.013 1.00 0.00 C ATOM 573 OE1 GLN A 43 -1.435 18.658 -3.793 1.00 0.00 O ATOM 574 NE2 GLN A 43 -2.291 19.127 -5.815 1.00 0.00 N ATOM 0 H GLN A 43 2.294 19.070 -2.540 1.00 0.00 H new ATOM 0 HA GLN A 43 0.681 17.150 -3.445 1.00 0.00 H new ATOM 0 HB2 GLN A 43 0.988 19.629 -4.169 1.00 0.00 H new ATOM 0 HB3 GLN A 43 2.076 19.006 -5.393 1.00 0.00 H new ATOM 0 HG2 GLN A 43 0.116 19.040 -6.592 1.00 0.00 H new ATOM 0 HG3 GLN A 43 0.054 17.403 -5.968 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -2.135 19.195 -6.821 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -3.208 19.344 -5.425 1.00 0.00 H new ATOM 583 N GLN A 44 3.612 16.781 -4.920 1.00 0.00 N ATOM 584 CA GLN A 44 4.436 15.839 -5.669 1.00 0.00 C ATOM 585 C GLN A 44 4.426 14.464 -5.009 1.00 0.00 C ATOM 586 O GLN A 44 4.040 13.470 -5.625 1.00 0.00 O ATOM 587 CB GLN A 44 5.871 16.357 -5.775 1.00 0.00 C ATOM 588 CG GLN A 44 6.657 15.742 -6.921 1.00 0.00 C ATOM 589 CD GLN A 44 8.054 16.317 -7.046 1.00 0.00 C ATOM 590 OE1 GLN A 44 8.240 17.534 -7.033 1.00 0.00 O ATOM 591 NE2 GLN A 44 9.046 15.442 -7.168 1.00 0.00 N ATOM 0 H GLN A 44 4.095 17.635 -4.641 1.00 0.00 H new ATOM 0 HA GLN A 44 4.017 15.744 -6.671 1.00 0.00 H new ATOM 0 HB2 GLN A 44 5.849 17.440 -5.900 1.00 0.00 H new ATOM 0 HB3 GLN A 44 6.391 16.155 -4.839 1.00 0.00 H new ATOM 0 HG2 GLN A 44 6.724 14.664 -6.773 1.00 0.00 H new ATOM 0 HG3 GLN A 44 6.117 15.903 -7.854 1.00 0.00 H new ATOM 0 HE21 GLN A 44 8.846 14.442 -7.174 1.00 0.00 H new ATOM 0 HE22 GLN A 44 10.008 15.770 -7.256 1.00 0.00 H new ATOM 600 N THR A 45 4.855 14.413 -3.752 1.00 0.00 N ATOM 601 CA THR A 45 4.898 13.160 -3.009 1.00 0.00 C ATOM 602 C THR A 45 3.586 12.395 -3.145 1.00 0.00 C ATOM 603 O THR A 45 3.578 11.222 -3.517 1.00 0.00 O ATOM 604 CB THR A 45 5.185 13.402 -1.515 1.00 0.00 C ATOM 605 OG1 THR A 45 6.465 14.025 -1.357 1.00 0.00 O ATOM 606 CG2 THR A 45 5.152 12.094 -0.739 1.00 0.00 C ATOM 0 H THR A 45 5.178 15.226 -3.227 1.00 0.00 H new ATOM 0 HA THR A 45 5.707 12.567 -3.436 1.00 0.00 H new ATOM 0 HB THR A 45 4.410 14.059 -1.120 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.854 13.760 -0.497 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.357 12.290 0.313 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.167 11.637 -0.838 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.908 11.416 -1.136 1.00 0.00 H new ATOM 614 N GLN A 46 2.480 13.068 -2.842 1.00 0.00 N ATOM 615 CA GLN A 46 1.163 12.449 -2.931 1.00 0.00 C ATOM 616 C GLN A 46 0.959 11.797 -4.294 1.00 0.00 C ATOM 617 O GLN A 46 0.547 10.640 -4.385 1.00 0.00 O ATOM 618 CB GLN A 46 0.070 13.490 -2.682 1.00 0.00 C ATOM 619 CG GLN A 46 0.004 13.971 -1.242 1.00 0.00 C ATOM 620 CD GLN A 46 -1.139 14.937 -1.001 1.00 0.00 C ATOM 621 OE1 GLN A 46 -1.867 15.299 -1.925 1.00 0.00 O ATOM 622 NE2 GLN A 46 -1.303 15.361 0.247 1.00 0.00 N ATOM 0 H GLN A 46 2.470 14.040 -2.533 1.00 0.00 H new ATOM 0 HA GLN A 46 1.100 11.675 -2.166 1.00 0.00 H new ATOM 0 HB2 GLN A 46 0.240 14.346 -3.335 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.895 13.065 -2.959 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -0.106 13.112 -0.581 1.00 0.00 H new ATOM 0 HG3 GLN A 46 0.945 14.455 -0.981 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -0.676 15.035 0.983 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -2.056 16.012 0.470 1.00 0.00 H new ATOM 631 N LYS A 47 1.250 12.545 -5.353 1.00 0.00 N ATOM 632 CA LYS A 47 1.100 12.040 -6.712 1.00 0.00 C ATOM 633 C LYS A 47 2.001 10.832 -6.947 1.00 0.00 C ATOM 634 O LYS A 47 1.573 9.825 -7.510 1.00 0.00 O ATOM 635 CB LYS A 47 1.428 13.139 -7.726 1.00 0.00 C ATOM 636 CG LYS A 47 0.345 14.197 -7.848 1.00 0.00 C ATOM 637 CD LYS A 47 0.654 15.186 -8.959 1.00 0.00 C ATOM 638 CE LYS A 47 1.812 16.099 -8.586 1.00 0.00 C ATOM 639 NZ LYS A 47 2.148 17.046 -9.685 1.00 0.00 N ATOM 0 H LYS A 47 1.592 13.504 -5.296 1.00 0.00 H new ATOM 0 HA LYS A 47 0.064 11.729 -6.844 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.363 13.620 -7.438 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.591 12.684 -8.703 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.614 13.717 -8.044 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.247 14.730 -6.902 1.00 0.00 H new ATOM 0 HD2 LYS A 47 0.896 14.644 -9.873 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.231 15.786 -9.170 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.556 16.661 -7.688 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.688 15.496 -8.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.942 17.651 -9.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.416 16.510 -10.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.321 17.640 -9.897 1.00 0.00 H new ATOM 653 N VAL A 48 3.252 10.939 -6.509 1.00 0.00 N ATOM 654 CA VAL A 48 4.213 9.854 -6.669 1.00 0.00 C ATOM 655 C VAL A 48 3.651 8.540 -6.139 1.00 0.00 C ATOM 656 O VAL A 48 3.811 7.489 -6.760 1.00 0.00 O ATOM 657 CB VAL A 48 5.535 10.165 -5.942 1.00 0.00 C ATOM 658 CG1 VAL A 48 6.471 8.967 -6.002 1.00 0.00 C ATOM 659 CG2 VAL A 48 6.195 11.397 -6.541 1.00 0.00 C ATOM 0 H VAL A 48 3.623 11.766 -6.041 1.00 0.00 H new ATOM 0 HA VAL A 48 4.408 9.758 -7.737 1.00 0.00 H new ATOM 0 HB VAL A 48 5.314 10.372 -4.895 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.400 9.205 -5.483 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.997 8.110 -5.523 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.688 8.726 -7.043 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.128 11.602 -6.015 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.404 11.221 -7.596 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.527 12.252 -6.442 1.00 0.00 H new ATOM 669 N PHE A 49 2.991 8.606 -4.988 1.00 0.00 N ATOM 670 CA PHE A 49 2.405 7.421 -4.373 1.00 0.00 C ATOM 671 C PHE A 49 1.073 7.069 -5.030 1.00 0.00 C ATOM 672 O PHE A 49 0.769 5.897 -5.256 1.00 0.00 O ATOM 673 CB PHE A 49 2.203 7.645 -2.873 1.00 0.00 C ATOM 674 CG PHE A 49 1.058 6.860 -2.299 1.00 0.00 C ATOM 675 CD1 PHE A 49 -0.249 7.284 -2.475 1.00 0.00 C ATOM 676 CD2 PHE A 49 1.290 5.697 -1.582 1.00 0.00 C ATOM 677 CE1 PHE A 49 -1.304 6.564 -1.948 1.00 0.00 C ATOM 678 CE2 PHE A 49 0.239 4.972 -1.053 1.00 0.00 C ATOM 679 CZ PHE A 49 -1.060 5.407 -1.235 1.00 0.00 C ATOM 0 H PHE A 49 2.848 9.468 -4.462 1.00 0.00 H new ATOM 0 HA PHE A 49 3.094 6.589 -4.519 1.00 0.00 H new ATOM 0 HB2 PHE A 49 3.118 7.375 -2.347 1.00 0.00 H new ATOM 0 HB3 PHE A 49 2.033 8.706 -2.692 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.446 8.189 -3.031 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.303 5.353 -1.435 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.318 6.906 -2.094 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.433 4.066 -0.498 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.883 4.843 -0.820 1.00 0.00 H new ATOM 689 N LEU A 50 0.283 8.092 -5.335 1.00 0.00 N ATOM 690 CA LEU A 50 -1.017 7.893 -5.966 1.00 0.00 C ATOM 691 C LEU A 50 -0.861 7.269 -7.349 1.00 0.00 C ATOM 692 O LEU A 50 -1.828 6.779 -7.933 1.00 0.00 O ATOM 693 CB LEU A 50 -1.762 9.225 -6.076 1.00 0.00 C ATOM 694 CG LEU A 50 -2.661 9.591 -4.895 1.00 0.00 C ATOM 695 CD1 LEU A 50 -3.132 11.033 -5.009 1.00 0.00 C ATOM 696 CD2 LEU A 50 -3.849 8.644 -4.815 1.00 0.00 C ATOM 0 H LEU A 50 0.520 9.068 -5.156 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.595 7.211 -5.343 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.027 10.019 -6.207 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.373 9.203 -6.979 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.081 9.492 -3.977 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.771 11.275 -4.160 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.269 11.698 -5.015 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.695 11.160 -5.934 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.478 8.920 -3.968 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.430 8.710 -5.735 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.492 7.623 -4.684 1.00 0.00 H new ATOM 708 N PHE A 51 0.362 7.287 -7.866 1.00 0.00 N ATOM 709 CA PHE A 51 0.646 6.722 -9.180 1.00 0.00 C ATOM 710 C PHE A 51 1.130 5.280 -9.059 1.00 0.00 C ATOM 711 O PHE A 51 0.783 4.426 -9.876 1.00 0.00 O ATOM 712 CB PHE A 51 1.696 7.565 -9.906 1.00 0.00 C ATOM 713 CG PHE A 51 2.268 6.894 -11.122 1.00 0.00 C ATOM 714 CD1 PHE A 51 3.227 5.901 -10.995 1.00 0.00 C ATOM 715 CD2 PHE A 51 1.847 7.255 -12.392 1.00 0.00 C ATOM 716 CE1 PHE A 51 3.755 5.281 -12.112 1.00 0.00 C ATOM 717 CE2 PHE A 51 2.371 6.638 -13.512 1.00 0.00 C ATOM 718 CZ PHE A 51 3.327 5.651 -13.372 1.00 0.00 C ATOM 0 H PHE A 51 1.174 7.687 -7.395 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.278 6.729 -9.758 1.00 0.00 H new ATOM 0 HB2 PHE A 51 1.248 8.514 -10.201 1.00 0.00 H new ATOM 0 HB3 PHE A 51 2.506 7.797 -9.214 1.00 0.00 H new ATOM 0 HD1 PHE A 51 3.565 5.608 -10.012 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.101 8.027 -12.508 1.00 0.00 H new ATOM 0 HE1 PHE A 51 4.501 4.508 -12.000 1.00 0.00 H new ATOM 0 HE2 PHE A 51 2.033 6.927 -14.496 1.00 0.00 H new ATOM 0 HZ PHE A 51 3.739 5.169 -14.246 1.00 0.00 H new ATOM 728 N ILE A 52 1.934 5.017 -8.034 1.00 0.00 N ATOM 729 CA ILE A 52 2.466 3.679 -7.805 1.00 0.00 C ATOM 730 C ILE A 52 1.343 2.666 -7.612 1.00 0.00 C ATOM 731 O ILE A 52 1.381 1.568 -8.166 1.00 0.00 O ATOM 732 CB ILE A 52 3.391 3.644 -6.575 1.00 0.00 C ATOM 733 CG1 ILE A 52 4.640 4.493 -6.823 1.00 0.00 C ATOM 734 CG2 ILE A 52 3.777 2.210 -6.242 1.00 0.00 C ATOM 735 CD1 ILE A 52 5.241 5.068 -5.560 1.00 0.00 C ATOM 0 H ILE A 52 2.231 5.712 -7.349 1.00 0.00 H new ATOM 0 HA ILE A 52 3.043 3.413 -8.691 1.00 0.00 H new ATOM 0 HB ILE A 52 2.853 4.062 -5.724 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.390 3.883 -7.327 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.386 5.309 -7.499 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.431 2.202 -5.370 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.878 1.632 -6.027 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.298 1.767 -7.091 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.122 5.658 -5.812 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.508 5.705 -5.065 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.527 4.256 -4.891 1.00 0.00 H new ATOM 747 N ARG A 53 0.342 3.045 -6.823 1.00 0.00 N ATOM 748 CA ARG A 53 -0.794 2.170 -6.557 1.00 0.00 C ATOM 749 C ARG A 53 -1.624 1.957 -7.819 1.00 0.00 C ATOM 750 O ARG A 53 -2.128 0.863 -8.065 1.00 0.00 O ATOM 751 CB ARG A 53 -1.670 2.759 -5.450 1.00 0.00 C ATOM 752 CG ARG A 53 -3.035 2.099 -5.337 1.00 0.00 C ATOM 753 CD ARG A 53 -4.070 2.808 -6.196 1.00 0.00 C ATOM 754 NE ARG A 53 -4.363 4.151 -5.702 1.00 0.00 N ATOM 755 CZ ARG A 53 -4.990 4.392 -4.556 1.00 0.00 C ATOM 756 NH1 ARG A 53 -5.386 3.385 -3.789 1.00 0.00 N ATOM 757 NH2 ARG A 53 -5.221 5.641 -4.174 1.00 0.00 N ATOM 0 H ARG A 53 0.295 3.951 -6.357 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.408 1.204 -6.230 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.150 2.663 -4.497 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.805 3.825 -5.634 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.962 1.055 -5.641 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -3.358 2.106 -4.296 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -3.708 2.870 -7.222 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.988 2.221 -6.216 1.00 0.00 H new ATOM 0 HE ARG A 53 -4.070 4.947 -6.268 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.209 2.423 -4.079 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.867 3.572 -2.909 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.917 6.418 -4.761 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.703 5.824 -3.294 1.00 0.00 H new ATOM 771 N ASN A 54 -1.761 3.013 -8.616 1.00 0.00 N ATOM 772 CA ASN A 54 -2.531 2.942 -9.852 1.00 0.00 C ATOM 773 C ASN A 54 -1.746 2.218 -10.942 1.00 0.00 C ATOM 774 O ASN A 54 -2.326 1.579 -11.820 1.00 0.00 O ATOM 775 CB ASN A 54 -2.905 4.348 -10.326 1.00 0.00 C ATOM 776 CG ASN A 54 -4.233 4.815 -9.762 1.00 0.00 C ATOM 777 OD1 ASN A 54 -5.051 4.007 -9.321 1.00 0.00 O ATOM 778 ND2 ASN A 54 -4.452 6.124 -9.773 1.00 0.00 N ATOM 0 H ASN A 54 -1.349 3.927 -8.427 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.442 2.379 -9.651 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -2.123 5.048 -10.032 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -2.951 4.361 -11.415 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -5.327 6.498 -9.406 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -3.745 6.756 -10.148 1.00 0.00 H new ATOM 785 N ARG A 55 -0.422 2.322 -10.877 1.00 0.00 N ATOM 786 CA ARG A 55 0.443 1.677 -11.858 1.00 0.00 C ATOM 787 C ARG A 55 0.620 0.196 -11.537 1.00 0.00 C ATOM 788 O ARG A 55 0.575 -0.653 -12.428 1.00 0.00 O ATOM 789 CB ARG A 55 1.807 2.368 -11.898 1.00 0.00 C ATOM 790 CG ARG A 55 2.460 2.350 -13.270 1.00 0.00 C ATOM 791 CD ARG A 55 2.527 0.940 -13.836 1.00 0.00 C ATOM 792 NE ARG A 55 3.661 0.766 -14.740 1.00 0.00 N ATOM 793 CZ ARG A 55 4.886 0.457 -14.330 1.00 0.00 C ATOM 794 NH1 ARG A 55 5.134 0.288 -13.039 1.00 0.00 N ATOM 795 NH2 ARG A 55 5.866 0.316 -15.213 1.00 0.00 N ATOM 0 H ARG A 55 0.074 2.846 -10.156 1.00 0.00 H new ATOM 0 HA ARG A 55 -0.030 1.764 -12.836 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.690 3.402 -11.574 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.471 1.883 -11.183 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.898 2.990 -13.950 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.466 2.764 -13.201 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.603 0.224 -13.018 1.00 0.00 H new ATOM 0 HD3 ARG A 55 1.602 0.719 -14.368 1.00 0.00 H new ATOM 0 HE ARG A 55 3.504 0.888 -15.740 1.00 0.00 H new ATOM 0 HH11 ARG A 55 4.383 0.395 -12.357 1.00 0.00 H new ATOM 0 HH12 ARG A 55 6.076 0.051 -12.727 1.00 0.00 H new ATOM 0 HH21 ARG A 55 5.679 0.445 -16.207 1.00 0.00 H new ATOM 0 HH22 ARG A 55 6.807 0.079 -14.898 1.00 0.00 H new ATOM 809 N THR A 56 0.822 -0.107 -10.259 1.00 0.00 N ATOM 810 CA THR A 56 1.008 -1.484 -9.820 1.00 0.00 C ATOM 811 C THR A 56 -0.131 -2.374 -10.305 1.00 0.00 C ATOM 812 O THR A 56 0.087 -3.523 -10.693 1.00 0.00 O ATOM 813 CB THR A 56 1.099 -1.578 -8.285 1.00 0.00 C ATOM 814 OG1 THR A 56 2.266 -0.890 -7.821 1.00 0.00 O ATOM 815 CG2 THR A 56 1.146 -3.029 -7.833 1.00 0.00 C ATOM 0 H THR A 56 0.861 0.583 -9.509 1.00 0.00 H new ATOM 0 HA THR A 56 1.946 -1.829 -10.254 1.00 0.00 H new ATOM 0 HB THR A 56 0.210 -1.111 -7.861 1.00 0.00 H new ATOM 0 HG1 THR A 56 2.072 0.067 -7.742 1.00 0.00 H new ATOM 0 HG21 THR A 56 1.210 -3.069 -6.746 1.00 0.00 H new ATOM 0 HG22 THR A 56 0.243 -3.542 -8.163 1.00 0.00 H new ATOM 0 HG23 THR A 56 2.019 -3.517 -8.266 1.00 0.00 H new ATOM 823 N LEU A 57 -1.345 -1.837 -10.283 1.00 0.00 N ATOM 824 CA LEU A 57 -2.520 -2.583 -10.722 1.00 0.00 C ATOM 825 C LEU A 57 -2.498 -2.794 -12.233 1.00 0.00 C ATOM 826 O LEU A 57 -2.800 -3.882 -12.721 1.00 0.00 O ATOM 827 CB LEU A 57 -3.797 -1.846 -10.317 1.00 0.00 C ATOM 828 CG LEU A 57 -4.355 -2.179 -8.933 1.00 0.00 C ATOM 829 CD1 LEU A 57 -5.278 -1.072 -8.449 1.00 0.00 C ATOM 830 CD2 LEU A 57 -5.086 -3.513 -8.959 1.00 0.00 C ATOM 0 H LEU A 57 -1.542 -0.888 -9.966 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.502 -3.559 -10.237 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.603 -0.774 -10.360 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.567 -2.061 -11.058 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.521 -2.259 -8.236 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.665 -1.327 -7.463 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.723 -0.135 -8.390 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.108 -0.959 -9.147 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.476 -3.733 -7.965 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.911 -3.462 -9.670 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.395 -4.301 -9.260 1.00 0.00 H new ATOM 842 N GLN A 58 -2.136 -1.746 -12.966 1.00 0.00 N ATOM 843 CA GLN A 58 -2.073 -1.818 -14.421 1.00 0.00 C ATOM 844 C GLN A 58 -1.333 -3.072 -14.873 1.00 0.00 C ATOM 845 O GLN A 58 -1.880 -3.899 -15.604 1.00 0.00 O ATOM 846 CB GLN A 58 -1.384 -0.574 -14.984 1.00 0.00 C ATOM 847 CG GLN A 58 -2.335 0.582 -15.249 1.00 0.00 C ATOM 848 CD GLN A 58 -3.268 0.314 -16.414 1.00 0.00 C ATOM 849 OE1 GLN A 58 -4.367 -0.212 -16.236 1.00 0.00 O ATOM 850 NE2 GLN A 58 -2.834 0.676 -17.616 1.00 0.00 N ATOM 0 H GLN A 58 -1.882 -0.838 -12.577 1.00 0.00 H new ATOM 0 HA GLN A 58 -3.093 -1.864 -14.802 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -0.615 -0.247 -14.284 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.879 -0.838 -15.913 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -2.925 0.775 -14.353 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.757 1.484 -15.451 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.916 1.109 -17.718 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -3.419 0.521 -18.437 1.00 0.00 H new ATOM 859 N LEU A 59 -0.086 -3.208 -14.434 1.00 0.00 N ATOM 860 CA LEU A 59 0.730 -4.362 -14.793 1.00 0.00 C ATOM 861 C LEU A 59 0.028 -5.664 -14.419 1.00 0.00 C ATOM 862 O LEU A 59 0.124 -6.660 -15.135 1.00 0.00 O ATOM 863 CB LEU A 59 2.091 -4.286 -14.098 1.00 0.00 C ATOM 864 CG LEU A 59 2.840 -2.960 -14.234 1.00 0.00 C ATOM 865 CD1 LEU A 59 3.924 -2.848 -13.174 1.00 0.00 C ATOM 866 CD2 LEU A 59 3.438 -2.826 -15.627 1.00 0.00 C ATOM 0 H LEU A 59 0.382 -2.533 -13.829 1.00 0.00 H new ATOM 0 HA LEU A 59 0.879 -4.348 -15.873 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.947 -4.492 -13.037 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.724 -5.080 -14.494 1.00 0.00 H new ATOM 0 HG LEU A 59 2.130 -2.147 -14.085 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.446 -1.898 -13.287 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.471 -2.898 -12.184 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.633 -3.668 -13.291 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.967 -1.876 -15.706 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.134 -3.646 -15.804 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.641 -2.860 -16.370 1.00 0.00 H new ATOM 878 N TRP A 60 -0.679 -5.646 -13.295 1.00 0.00 N ATOM 879 CA TRP A 60 -1.400 -6.825 -12.826 1.00 0.00 C ATOM 880 C TRP A 60 -2.622 -7.096 -13.696 1.00 0.00 C ATOM 881 O TRP A 60 -3.011 -8.248 -13.896 1.00 0.00 O ATOM 882 CB TRP A 60 -1.825 -6.642 -11.369 1.00 0.00 C ATOM 883 CG TRP A 60 -3.070 -7.398 -11.014 1.00 0.00 C ATOM 884 CD1 TRP A 60 -4.347 -6.913 -10.998 1.00 0.00 C ATOM 885 CD2 TRP A 60 -3.156 -8.772 -10.624 1.00 0.00 C ATOM 886 NE1 TRP A 60 -5.221 -7.904 -10.620 1.00 0.00 N ATOM 887 CE2 TRP A 60 -4.515 -9.054 -10.386 1.00 0.00 C ATOM 888 CE3 TRP A 60 -2.217 -9.793 -10.453 1.00 0.00 C ATOM 889 CZ2 TRP A 60 -4.956 -10.313 -9.986 1.00 0.00 C ATOM 890 CZ3 TRP A 60 -2.656 -11.042 -10.056 1.00 0.00 C ATOM 891 CH2 TRP A 60 -4.015 -11.294 -9.827 1.00 0.00 C ATOM 0 H TRP A 60 -0.769 -4.829 -12.691 1.00 0.00 H new ATOM 0 HA TRP A 60 -0.730 -7.682 -12.896 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -1.013 -6.966 -10.718 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -1.985 -5.581 -11.175 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -4.628 -5.900 -11.246 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -6.232 -7.800 -10.529 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -1.167 -9.609 -10.628 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -6.003 -10.508 -9.808 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -1.939 -11.838 -9.920 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -4.326 -12.281 -9.519 1.00 0.00 H new ATOM 902 N LEU A 61 -3.225 -6.030 -14.211 1.00 0.00 N ATOM 903 CA LEU A 61 -4.405 -6.153 -15.060 1.00 0.00 C ATOM 904 C LEU A 61 -4.013 -6.532 -16.484 1.00 0.00 C ATOM 905 O LEU A 61 -4.816 -7.091 -17.232 1.00 0.00 O ATOM 906 CB LEU A 61 -5.192 -4.842 -15.067 1.00 0.00 C ATOM 907 CG LEU A 61 -6.204 -4.660 -13.935 1.00 0.00 C ATOM 908 CD1 LEU A 61 -6.720 -3.230 -13.904 1.00 0.00 C ATOM 909 CD2 LEU A 61 -7.357 -5.642 -14.088 1.00 0.00 C ATOM 0 H LEU A 61 -2.916 -5.070 -14.055 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.034 -6.944 -14.653 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.482 -4.015 -15.029 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.721 -4.765 -16.017 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.702 -4.863 -12.989 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.439 -3.120 -13.092 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.886 -2.546 -13.746 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -7.205 -2.998 -14.852 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.068 -5.498 -13.274 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.857 -5.470 -15.041 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.973 -6.662 -14.059 1.00 0.00 H new ATOM 921 N ASP A 62 -2.774 -6.227 -16.853 1.00 0.00 N ATOM 922 CA ASP A 62 -2.274 -6.538 -18.187 1.00 0.00 C ATOM 923 C ASP A 62 -1.628 -7.920 -18.216 1.00 0.00 C ATOM 924 O ASP A 62 -1.622 -8.591 -19.247 1.00 0.00 O ATOM 925 CB ASP A 62 -1.264 -5.481 -18.636 1.00 0.00 C ATOM 926 CG ASP A 62 -1.935 -4.220 -19.146 1.00 0.00 C ATOM 927 OD1 ASP A 62 -2.918 -3.776 -18.519 1.00 0.00 O ATOM 928 OD2 ASP A 62 -1.476 -3.679 -20.174 1.00 0.00 O ATOM 0 H ASP A 62 -2.097 -5.764 -16.247 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.120 -6.536 -18.875 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -0.610 -5.229 -17.801 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -0.632 -5.896 -19.421 1.00 0.00 H new ATOM 933 N ASN A 63 -1.085 -8.338 -17.077 1.00 0.00 N ATOM 934 CA ASN A 63 -0.435 -9.640 -16.973 1.00 0.00 C ATOM 935 C ASN A 63 -0.879 -10.370 -15.709 1.00 0.00 C ATOM 936 O ASN A 63 -0.063 -10.842 -14.917 1.00 0.00 O ATOM 937 CB ASN A 63 1.086 -9.475 -16.974 1.00 0.00 C ATOM 938 CG ASN A 63 1.798 -10.684 -17.549 1.00 0.00 C ATOM 939 OD1 ASN A 63 2.686 -10.553 -18.392 1.00 0.00 O ATOM 940 ND2 ASN A 63 1.411 -11.871 -17.094 1.00 0.00 N ATOM 0 H ASN A 63 -1.082 -7.795 -16.214 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.729 -10.236 -17.837 1.00 0.00 H new ATOM 0 HB2 ASN A 63 1.352 -8.591 -17.553 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.431 -9.305 -15.954 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.854 -12.720 -17.444 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.671 -11.933 -16.395 1.00 0.00 H new ATOM 947 N PRO A 64 -2.202 -10.466 -15.514 1.00 0.00 N ATOM 948 CA PRO A 64 -2.784 -11.138 -14.349 1.00 0.00 C ATOM 949 C PRO A 64 -2.582 -12.648 -14.390 1.00 0.00 C ATOM 950 O PRO A 64 -2.816 -13.344 -13.401 1.00 0.00 O ATOM 951 CB PRO A 64 -4.273 -10.794 -14.449 1.00 0.00 C ATOM 952 CG PRO A 64 -4.505 -10.534 -15.897 1.00 0.00 C ATOM 953 CD PRO A 64 -3.232 -9.926 -16.418 1.00 0.00 C ATOM 0 HA PRO A 64 -2.319 -10.815 -13.417 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -4.894 -11.615 -14.090 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -4.519 -9.920 -13.845 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -4.742 -11.457 -16.426 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -5.348 -9.858 -16.042 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -3.046 -10.209 -17.454 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.264 -8.837 -16.386 1.00 0.00 H new ATOM 961 N LYS A 65 -2.145 -13.151 -15.539 1.00 0.00 N ATOM 962 CA LYS A 65 -1.909 -14.580 -15.709 1.00 0.00 C ATOM 963 C LYS A 65 -0.767 -15.053 -14.815 1.00 0.00 C ATOM 964 O LYS A 65 -0.513 -16.252 -14.700 1.00 0.00 O ATOM 965 CB LYS A 65 -1.589 -14.894 -17.173 1.00 0.00 C ATOM 966 CG LYS A 65 -0.442 -14.072 -17.735 1.00 0.00 C ATOM 967 CD LYS A 65 0.317 -14.834 -18.808 1.00 0.00 C ATOM 968 CE LYS A 65 0.917 -13.893 -19.841 1.00 0.00 C ATOM 969 NZ LYS A 65 2.290 -13.458 -19.464 1.00 0.00 N ATOM 0 H LYS A 65 -1.947 -12.590 -16.367 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.817 -15.110 -15.420 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -1.345 -15.952 -17.264 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -2.480 -14.719 -17.776 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -0.830 -13.143 -18.153 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.240 -13.799 -16.930 1.00 0.00 H new ATOM 0 HD2 LYS A 65 1.110 -15.422 -18.346 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.355 -15.536 -19.301 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.947 -14.390 -20.811 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.276 -13.018 -19.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.304 -12.426 -19.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.570 -13.922 -18.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.957 -13.722 -20.217 1.00 0.00 H new ATOM 983 N ILE A 66 -0.084 -14.104 -14.184 1.00 0.00 N ATOM 984 CA ILE A 66 1.029 -14.425 -13.299 1.00 0.00 C ATOM 985 C ILE A 66 1.014 -13.542 -12.056 1.00 0.00 C ATOM 986 O ILE A 66 0.468 -12.440 -12.073 1.00 0.00 O ATOM 987 CB ILE A 66 2.383 -14.263 -14.015 1.00 0.00 C ATOM 988 CG1 ILE A 66 2.696 -12.781 -14.231 1.00 0.00 C ATOM 989 CG2 ILE A 66 2.373 -15.006 -15.342 1.00 0.00 C ATOM 990 CD1 ILE A 66 4.126 -12.519 -14.649 1.00 0.00 C ATOM 0 H ILE A 66 -0.282 -13.107 -14.269 1.00 0.00 H new ATOM 0 HA ILE A 66 0.907 -15.467 -13.003 1.00 0.00 H new ATOM 0 HB ILE A 66 3.163 -14.692 -13.386 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.025 -12.384 -14.993 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.490 -12.237 -13.309 1.00 0.00 H new ATOM 0 HG21 ILE A 66 3.337 -14.882 -15.836 1.00 0.00 H new ATOM 0 HG22 ILE A 66 2.190 -16.066 -15.164 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.585 -14.604 -15.978 1.00 0.00 H new ATOM 0 HD11 ILE A 66 4.275 -11.448 -14.784 1.00 0.00 H new ATOM 0 HD12 ILE A 66 4.803 -12.885 -13.878 1.00 0.00 H new ATOM 0 HD13 ILE A 66 4.331 -13.035 -15.587 1.00 0.00 H new ATOM 1002 N GLN A 67 1.620 -14.034 -10.980 1.00 0.00 N ATOM 1003 CA GLN A 67 1.678 -13.289 -9.728 1.00 0.00 C ATOM 1004 C GLN A 67 2.581 -12.067 -9.863 1.00 0.00 C ATOM 1005 O GLN A 67 3.605 -12.112 -10.545 1.00 0.00 O ATOM 1006 CB GLN A 67 2.182 -14.188 -8.598 1.00 0.00 C ATOM 1007 CG GLN A 67 3.692 -14.361 -8.585 1.00 0.00 C ATOM 1008 CD GLN A 67 4.232 -14.870 -9.907 1.00 0.00 C ATOM 1009 OE1 GLN A 67 3.895 -15.970 -10.346 1.00 0.00 O ATOM 1010 NE2 GLN A 67 5.075 -14.070 -10.550 1.00 0.00 N ATOM 0 H GLN A 67 2.078 -14.945 -10.950 1.00 0.00 H new ATOM 0 HA GLN A 67 0.670 -12.949 -9.490 1.00 0.00 H new ATOM 0 HB2 GLN A 67 1.864 -13.769 -7.643 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.713 -15.168 -8.688 1.00 0.00 H new ATOM 0 HG2 GLN A 67 4.161 -13.406 -8.349 1.00 0.00 H new ATOM 0 HG3 GLN A 67 3.967 -15.057 -7.792 1.00 0.00 H new ATOM 0 HE21 GLN A 67 5.327 -13.166 -10.149 1.00 0.00 H new ATOM 0 HE22 GLN A 67 5.471 -14.359 -11.445 1.00 0.00 H new ATOM 1019 N LEU A 68 2.194 -10.977 -9.210 1.00 0.00 N ATOM 1020 CA LEU A 68 2.968 -9.742 -9.257 1.00 0.00 C ATOM 1021 C LEU A 68 3.720 -9.520 -7.949 1.00 0.00 C ATOM 1022 O LEU A 68 3.138 -9.100 -6.948 1.00 0.00 O ATOM 1023 CB LEU A 68 2.050 -8.551 -9.538 1.00 0.00 C ATOM 1024 CG LEU A 68 2.745 -7.225 -9.846 1.00 0.00 C ATOM 1025 CD1 LEU A 68 3.492 -7.308 -11.168 1.00 0.00 C ATOM 1026 CD2 LEU A 68 1.736 -6.087 -9.872 1.00 0.00 C ATOM 0 H LEU A 68 1.349 -10.923 -8.642 1.00 0.00 H new ATOM 0 HA LEU A 68 3.696 -9.830 -10.063 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.406 -8.805 -10.380 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.402 -8.406 -8.674 1.00 0.00 H new ATOM 0 HG LEU A 68 3.468 -7.024 -9.056 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.980 -6.355 -11.370 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.243 -8.096 -11.113 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.789 -7.533 -11.970 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.249 -5.151 -10.093 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.988 -6.281 -10.641 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.247 -6.012 -8.901 1.00 0.00 H new ATOM 1038 N THR A 69 5.019 -9.804 -7.963 1.00 0.00 N ATOM 1039 CA THR A 69 5.852 -9.635 -6.779 1.00 0.00 C ATOM 1040 C THR A 69 6.260 -8.178 -6.597 1.00 0.00 C ATOM 1041 O THR A 69 5.979 -7.333 -7.448 1.00 0.00 O ATOM 1042 CB THR A 69 7.120 -10.506 -6.855 1.00 0.00 C ATOM 1043 OG1 THR A 69 7.978 -10.032 -7.898 1.00 0.00 O ATOM 1044 CG2 THR A 69 6.761 -11.963 -7.109 1.00 0.00 C ATOM 0 H THR A 69 5.517 -10.152 -8.782 1.00 0.00 H new ATOM 0 HA THR A 69 5.254 -9.951 -5.924 1.00 0.00 H new ATOM 0 HB THR A 69 7.639 -10.437 -5.899 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.783 -10.590 -7.939 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.672 -12.559 -7.159 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.132 -12.329 -6.298 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.221 -12.046 -8.053 1.00 0.00 H new ATOM 1052 N PHE A 70 6.925 -7.889 -5.483 1.00 0.00 N ATOM 1053 CA PHE A 70 7.372 -6.532 -5.190 1.00 0.00 C ATOM 1054 C PHE A 70 8.487 -6.109 -6.142 1.00 0.00 C ATOM 1055 O PHE A 70 8.485 -4.992 -6.658 1.00 0.00 O ATOM 1056 CB PHE A 70 7.858 -6.434 -3.743 1.00 0.00 C ATOM 1057 CG PHE A 70 8.860 -5.338 -3.519 1.00 0.00 C ATOM 1058 CD1 PHE A 70 8.443 -4.054 -3.208 1.00 0.00 C ATOM 1059 CD2 PHE A 70 10.218 -5.591 -3.620 1.00 0.00 C ATOM 1060 CE1 PHE A 70 9.363 -3.043 -3.003 1.00 0.00 C ATOM 1061 CE2 PHE A 70 11.143 -4.584 -3.416 1.00 0.00 C ATOM 1062 CZ PHE A 70 10.715 -3.309 -3.106 1.00 0.00 C ATOM 0 H PHE A 70 7.166 -8.576 -4.769 1.00 0.00 H new ATOM 0 HA PHE A 70 6.525 -5.860 -5.328 1.00 0.00 H new ATOM 0 HB2 PHE A 70 7.000 -6.270 -3.091 1.00 0.00 H new ATOM 0 HB3 PHE A 70 8.302 -7.386 -3.452 1.00 0.00 H new ATOM 0 HD1 PHE A 70 7.388 -3.841 -3.125 1.00 0.00 H new ATOM 0 HD2 PHE A 70 10.558 -6.587 -3.861 1.00 0.00 H new ATOM 0 HE1 PHE A 70 9.025 -2.046 -2.762 1.00 0.00 H new ATOM 0 HE2 PHE A 70 12.199 -4.795 -3.499 1.00 0.00 H new ATOM 0 HZ PHE A 70 11.435 -2.521 -2.944 1.00 0.00 H new ATOM 1072 N GLU A 71 9.437 -7.011 -6.370 1.00 0.00 N ATOM 1073 CA GLU A 71 10.558 -6.730 -7.259 1.00 0.00 C ATOM 1074 C GLU A 71 10.065 -6.319 -8.643 1.00 0.00 C ATOM 1075 O GLU A 71 10.358 -5.222 -9.117 1.00 0.00 O ATOM 1076 CB GLU A 71 11.467 -7.956 -7.372 1.00 0.00 C ATOM 1077 CG GLU A 71 12.360 -8.166 -6.161 1.00 0.00 C ATOM 1078 CD GLU A 71 13.627 -8.928 -6.496 1.00 0.00 C ATOM 1079 OE1 GLU A 71 13.531 -10.139 -6.788 1.00 0.00 O ATOM 1080 OE2 GLU A 71 14.715 -8.315 -6.466 1.00 0.00 O ATOM 0 H GLU A 71 9.452 -7.941 -5.952 1.00 0.00 H new ATOM 0 HA GLU A 71 11.127 -5.903 -6.835 1.00 0.00 H new ATOM 0 HB2 GLU A 71 10.850 -8.843 -7.516 1.00 0.00 H new ATOM 0 HB3 GLU A 71 12.091 -7.854 -8.260 1.00 0.00 H new ATOM 0 HG2 GLU A 71 12.624 -7.197 -5.737 1.00 0.00 H new ATOM 0 HG3 GLU A 71 11.806 -8.709 -5.395 1.00 0.00 H new ATOM 1087 N ALA A 72 9.316 -7.208 -9.286 1.00 0.00 N ATOM 1088 CA ALA A 72 8.781 -6.938 -10.615 1.00 0.00 C ATOM 1089 C ALA A 72 8.144 -5.554 -10.679 1.00 0.00 C ATOM 1090 O ALA A 72 8.527 -4.720 -11.501 1.00 0.00 O ATOM 1091 CB ALA A 72 7.769 -8.006 -11.004 1.00 0.00 C ATOM 0 H ALA A 72 9.066 -8.122 -8.908 1.00 0.00 H new ATOM 0 HA ALA A 72 9.608 -6.962 -11.325 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.378 -7.792 -11.999 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.254 -8.982 -11.007 1.00 0.00 H new ATOM 0 HB3 ALA A 72 6.950 -8.010 -10.285 1.00 0.00 H new ATOM 1097 N THR A 73 7.169 -5.316 -9.808 1.00 0.00 N ATOM 1098 CA THR A 73 6.477 -4.033 -9.767 1.00 0.00 C ATOM 1099 C THR A 73 7.467 -2.877 -9.693 1.00 0.00 C ATOM 1100 O THR A 73 7.285 -1.847 -10.343 1.00 0.00 O ATOM 1101 CB THR A 73 5.517 -3.951 -8.566 1.00 0.00 C ATOM 1102 OG1 THR A 73 4.560 -5.014 -8.630 1.00 0.00 O ATOM 1103 CG2 THR A 73 4.795 -2.612 -8.541 1.00 0.00 C ATOM 0 H THR A 73 6.840 -5.995 -9.121 1.00 0.00 H new ATOM 0 HA THR A 73 5.900 -3.955 -10.689 1.00 0.00 H new ATOM 0 HB THR A 73 6.104 -4.046 -7.653 1.00 0.00 H new ATOM 0 HG1 THR A 73 4.929 -5.813 -8.199 1.00 0.00 H new ATOM 0 HG21 THR A 73 4.122 -2.577 -7.684 1.00 0.00 H new ATOM 0 HG22 THR A 73 5.525 -1.806 -8.462 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.220 -2.492 -9.459 1.00 0.00 H new ATOM 1111 N LEU A 74 8.516 -3.053 -8.896 1.00 0.00 N ATOM 1112 CA LEU A 74 9.537 -2.023 -8.737 1.00 0.00 C ATOM 1113 C LEU A 74 10.323 -1.831 -10.030 1.00 0.00 C ATOM 1114 O LEU A 74 10.353 -0.736 -10.591 1.00 0.00 O ATOM 1115 CB LEU A 74 10.489 -2.393 -7.598 1.00 0.00 C ATOM 1116 CG LEU A 74 11.808 -1.621 -7.549 1.00 0.00 C ATOM 1117 CD1 LEU A 74 11.603 -0.253 -6.916 1.00 0.00 C ATOM 1118 CD2 LEU A 74 12.860 -2.412 -6.785 1.00 0.00 C ATOM 0 H LEU A 74 8.682 -3.899 -8.350 1.00 0.00 H new ATOM 0 HA LEU A 74 9.037 -1.085 -8.495 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.968 -2.243 -6.652 1.00 0.00 H new ATOM 0 HB3 LEU A 74 10.716 -3.457 -7.672 1.00 0.00 H new ATOM 0 HG LEU A 74 12.161 -1.477 -8.570 1.00 0.00 H new ATOM 0 HD11 LEU A 74 12.552 0.282 -6.890 1.00 0.00 H new ATOM 0 HD12 LEU A 74 10.882 0.316 -7.504 1.00 0.00 H new ATOM 0 HD13 LEU A 74 11.227 -0.375 -5.900 1.00 0.00 H new ATOM 0 HD21 LEU A 74 13.792 -1.848 -6.760 1.00 0.00 H new ATOM 0 HD22 LEU A 74 12.515 -2.587 -5.766 1.00 0.00 H new ATOM 0 HD23 LEU A 74 13.028 -3.368 -7.281 1.00 0.00 H new ATOM 1130 N GLN A 75 10.955 -2.902 -10.497 1.00 0.00 N ATOM 1131 CA GLN A 75 11.740 -2.851 -11.725 1.00 0.00 C ATOM 1132 C GLN A 75 10.975 -2.130 -12.830 1.00 0.00 C ATOM 1133 O GLN A 75 11.507 -1.230 -13.479 1.00 0.00 O ATOM 1134 CB GLN A 75 12.106 -4.265 -12.180 1.00 0.00 C ATOM 1135 CG GLN A 75 13.026 -4.996 -11.216 1.00 0.00 C ATOM 1136 CD GLN A 75 14.486 -4.649 -11.426 1.00 0.00 C ATOM 1137 OE1 GLN A 75 15.248 -5.434 -11.990 1.00 0.00 O ATOM 1138 NE2 GLN A 75 14.885 -3.467 -10.971 1.00 0.00 N ATOM 0 H GLN A 75 10.939 -3.816 -10.044 1.00 0.00 H new ATOM 0 HA GLN A 75 12.655 -2.295 -11.519 1.00 0.00 H new ATOM 0 HB2 GLN A 75 11.192 -4.845 -12.307 1.00 0.00 H new ATOM 0 HB3 GLN A 75 12.587 -4.210 -13.157 1.00 0.00 H new ATOM 0 HG2 GLN A 75 12.742 -4.751 -10.193 1.00 0.00 H new ATOM 0 HG3 GLN A 75 12.891 -6.071 -11.336 1.00 0.00 H new ATOM 0 HE21 GLN A 75 14.219 -2.847 -10.509 1.00 0.00 H new ATOM 0 HE22 GLN A 75 15.857 -3.179 -11.083 1.00 0.00 H new ATOM 1147 N GLN A 76 9.726 -2.532 -13.037 1.00 0.00 N ATOM 1148 CA GLN A 76 8.889 -1.924 -14.065 1.00 0.00 C ATOM 1149 C GLN A 76 8.666 -0.442 -13.780 1.00 0.00 C ATOM 1150 O GLN A 76 8.703 0.388 -14.689 1.00 0.00 O ATOM 1151 CB GLN A 76 7.544 -2.647 -14.151 1.00 0.00 C ATOM 1152 CG GLN A 76 7.661 -4.104 -14.567 1.00 0.00 C ATOM 1153 CD GLN A 76 6.491 -4.943 -14.093 1.00 0.00 C ATOM 1154 OE1 GLN A 76 5.781 -5.550 -14.896 1.00 0.00 O ATOM 1155 NE2 GLN A 76 6.283 -4.982 -12.782 1.00 0.00 N ATOM 0 H GLN A 76 9.271 -3.275 -12.507 1.00 0.00 H new ATOM 0 HA GLN A 76 9.405 -2.018 -15.020 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.050 -2.594 -13.181 1.00 0.00 H new ATOM 0 HB3 GLN A 76 6.905 -2.125 -14.863 1.00 0.00 H new ATOM 0 HG2 GLN A 76 7.729 -4.163 -15.653 1.00 0.00 H new ATOM 0 HG3 GLN A 76 8.586 -4.519 -14.167 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.896 -4.464 -12.153 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.510 -5.530 -12.404 1.00 0.00 H new ATOM 1164 N LEU A 77 8.435 -0.118 -12.513 1.00 0.00 N ATOM 1165 CA LEU A 77 8.206 1.265 -12.107 1.00 0.00 C ATOM 1166 C LEU A 77 9.347 2.165 -12.570 1.00 0.00 C ATOM 1167 O LEU A 77 10.441 1.689 -12.872 1.00 0.00 O ATOM 1168 CB LEU A 77 8.057 1.353 -10.587 1.00 0.00 C ATOM 1169 CG LEU A 77 6.628 1.282 -10.047 1.00 0.00 C ATOM 1170 CD1 LEU A 77 6.630 0.877 -8.581 1.00 0.00 C ATOM 1171 CD2 LEU A 77 5.921 2.617 -10.232 1.00 0.00 C ATOM 0 H LEU A 77 8.401 -0.793 -11.749 1.00 0.00 H new ATOM 0 HA LEU A 77 7.284 1.607 -12.577 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.634 0.545 -10.138 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.505 2.289 -10.252 1.00 0.00 H new ATOM 0 HG LEU A 77 6.085 0.524 -10.611 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.604 0.832 -8.215 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.097 -0.102 -8.475 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.190 1.611 -8.002 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.905 2.548 -9.842 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.464 3.394 -9.694 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.886 2.866 -11.293 1.00 0.00 H new ATOM 1183 N GLU A 78 9.083 3.467 -12.623 1.00 0.00 N ATOM 1184 CA GLU A 78 10.089 4.433 -13.049 1.00 0.00 C ATOM 1185 C GLU A 78 10.158 5.609 -12.079 1.00 0.00 C ATOM 1186 O GLU A 78 9.163 6.294 -11.845 1.00 0.00 O ATOM 1187 CB GLU A 78 9.778 4.938 -14.459 1.00 0.00 C ATOM 1188 CG GLU A 78 8.415 5.599 -14.582 1.00 0.00 C ATOM 1189 CD GLU A 78 8.152 6.138 -15.975 1.00 0.00 C ATOM 1190 OE1 GLU A 78 7.974 5.322 -16.903 1.00 0.00 O ATOM 1191 OE2 GLU A 78 8.125 7.376 -16.137 1.00 0.00 O ATOM 0 H GLU A 78 8.182 3.877 -12.377 1.00 0.00 H new ATOM 0 HA GLU A 78 11.057 3.932 -13.056 1.00 0.00 H new ATOM 0 HB2 GLU A 78 10.546 5.651 -14.758 1.00 0.00 H new ATOM 0 HB3 GLU A 78 9.831 4.101 -15.155 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.640 4.877 -14.324 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.344 6.414 -13.862 1.00 0.00 H new ATOM 1198 N ALA A 79 11.341 5.836 -11.517 1.00 0.00 N ATOM 1199 CA ALA A 79 11.542 6.929 -10.574 1.00 0.00 C ATOM 1200 C ALA A 79 10.820 8.190 -11.034 1.00 0.00 C ATOM 1201 O ALA A 79 10.534 8.375 -12.217 1.00 0.00 O ATOM 1202 CB ALA A 79 13.027 7.205 -10.394 1.00 0.00 C ATOM 0 H ALA A 79 12.175 5.277 -11.699 1.00 0.00 H new ATOM 0 HA ALA A 79 11.121 6.630 -9.614 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.162 8.024 -9.687 1.00 0.00 H new ATOM 0 HB2 ALA A 79 13.520 6.311 -10.012 1.00 0.00 H new ATOM 0 HB3 ALA A 79 13.465 7.479 -11.354 1.00 0.00 H new ATOM 1208 N PRO A 80 10.515 9.081 -10.078 1.00 0.00 N ATOM 1209 CA PRO A 80 10.850 8.872 -8.666 1.00 0.00 C ATOM 1210 C PRO A 80 10.020 7.761 -8.032 1.00 0.00 C ATOM 1211 O PRO A 80 10.271 7.357 -6.897 1.00 0.00 O ATOM 1212 CB PRO A 80 10.521 10.220 -8.021 1.00 0.00 C ATOM 1213 CG PRO A 80 9.491 10.825 -8.911 1.00 0.00 C ATOM 1214 CD PRO A 80 9.821 10.360 -10.302 1.00 0.00 C ATOM 0 HA PRO A 80 11.887 8.562 -8.534 1.00 0.00 H new ATOM 0 HB2 PRO A 80 10.142 10.092 -7.007 1.00 0.00 H new ATOM 0 HB3 PRO A 80 11.406 10.853 -7.953 1.00 0.00 H new ATOM 0 HG2 PRO A 80 8.489 10.508 -8.621 1.00 0.00 H new ATOM 0 HG3 PRO A 80 9.511 11.913 -8.848 1.00 0.00 H new ATOM 0 HD2 PRO A 80 8.923 10.230 -10.906 1.00 0.00 H new ATOM 0 HD3 PRO A 80 10.456 11.075 -10.825 1.00 0.00 H new ATOM 1222 N TYR A 81 9.032 7.271 -8.772 1.00 0.00 N ATOM 1223 CA TYR A 81 8.163 6.208 -8.281 1.00 0.00 C ATOM 1224 C TYR A 81 8.980 5.092 -7.636 1.00 0.00 C ATOM 1225 O TYR A 81 8.791 4.768 -6.464 1.00 0.00 O ATOM 1226 CB TYR A 81 7.319 5.642 -9.424 1.00 0.00 C ATOM 1227 CG TYR A 81 6.683 6.704 -10.291 1.00 0.00 C ATOM 1228 CD1 TYR A 81 6.220 7.893 -9.740 1.00 0.00 C ATOM 1229 CD2 TYR A 81 6.544 6.520 -11.661 1.00 0.00 C ATOM 1230 CE1 TYR A 81 5.638 8.867 -10.529 1.00 0.00 C ATOM 1231 CE2 TYR A 81 5.965 7.489 -12.457 1.00 0.00 C ATOM 1232 CZ TYR A 81 5.513 8.660 -11.886 1.00 0.00 C ATOM 1233 OH TYR A 81 4.934 9.627 -12.676 1.00 0.00 O ATOM 0 H TYR A 81 8.813 7.593 -9.715 1.00 0.00 H new ATOM 0 HA TYR A 81 7.502 6.633 -7.526 1.00 0.00 H new ATOM 0 HB2 TYR A 81 7.947 5.005 -10.047 1.00 0.00 H new ATOM 0 HB3 TYR A 81 6.536 5.009 -9.007 1.00 0.00 H new ATOM 0 HD1 TYR A 81 6.317 8.059 -8.677 1.00 0.00 H new ATOM 0 HD2 TYR A 81 6.895 5.603 -12.111 1.00 0.00 H new ATOM 0 HE1 TYR A 81 5.283 9.785 -10.085 1.00 0.00 H new ATOM 0 HE2 TYR A 81 5.867 7.330 -13.521 1.00 0.00 H new ATOM 0 HH TYR A 81 4.924 9.325 -13.608 1.00 0.00 H new ATOM 1243 N ASN A 82 9.889 4.510 -8.410 1.00 0.00 N ATOM 1244 CA ASN A 82 10.736 3.430 -7.916 1.00 0.00 C ATOM 1245 C ASN A 82 11.836 3.974 -7.009 1.00 0.00 C ATOM 1246 O ASN A 82 12.233 3.326 -6.041 1.00 0.00 O ATOM 1247 CB ASN A 82 11.357 2.664 -9.086 1.00 0.00 C ATOM 1248 CG ASN A 82 12.623 3.321 -9.601 1.00 0.00 C ATOM 1249 OD1 ASN A 82 13.557 3.574 -8.840 1.00 0.00 O ATOM 1250 ND2 ASN A 82 12.658 3.600 -10.898 1.00 0.00 N ATOM 0 H ASN A 82 10.059 4.768 -9.382 1.00 0.00 H new ATOM 0 HA ASN A 82 10.113 2.750 -7.335 1.00 0.00 H new ATOM 0 HB2 ASN A 82 11.582 1.645 -8.771 1.00 0.00 H new ATOM 0 HB3 ASN A 82 10.632 2.594 -9.897 1.00 0.00 H new ATOM 0 HD21 ASN A 82 13.483 4.042 -11.302 1.00 0.00 H new ATOM 0 HD22 ASN A 82 11.860 3.372 -11.490 1.00 0.00 H new ATOM 1257 N SER A 83 12.324 5.168 -7.329 1.00 0.00 N ATOM 1258 CA SER A 83 13.380 5.798 -6.546 1.00 0.00 C ATOM 1259 C SER A 83 13.245 5.443 -5.068 1.00 0.00 C ATOM 1260 O SER A 83 14.219 5.061 -4.419 1.00 0.00 O ATOM 1261 CB SER A 83 13.339 7.317 -6.723 1.00 0.00 C ATOM 1262 OG SER A 83 14.430 7.937 -6.065 1.00 0.00 O ATOM 0 H SER A 83 12.005 5.719 -8.126 1.00 0.00 H new ATOM 0 HA SER A 83 14.338 5.424 -6.906 1.00 0.00 H new ATOM 0 HB2 SER A 83 13.363 7.563 -7.785 1.00 0.00 H new ATOM 0 HB3 SER A 83 12.402 7.707 -6.326 1.00 0.00 H new ATOM 0 HG SER A 83 14.382 8.907 -6.195 1.00 0.00 H new ATOM 1268 N ASP A 84 12.032 5.571 -4.544 1.00 0.00 N ATOM 1269 CA ASP A 84 11.768 5.264 -3.143 1.00 0.00 C ATOM 1270 C ASP A 84 11.171 3.867 -2.996 1.00 0.00 C ATOM 1271 O ASP A 84 9.952 3.704 -2.931 1.00 0.00 O ATOM 1272 CB ASP A 84 10.820 6.302 -2.540 1.00 0.00 C ATOM 1273 CG ASP A 84 11.535 7.583 -2.156 1.00 0.00 C ATOM 1274 OD1 ASP A 84 12.745 7.520 -1.855 1.00 0.00 O ATOM 1275 OD2 ASP A 84 10.883 8.649 -2.157 1.00 0.00 O ATOM 0 H ASP A 84 11.215 5.885 -5.068 1.00 0.00 H new ATOM 0 HA ASP A 84 12.716 5.294 -2.606 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.032 6.530 -3.257 1.00 0.00 H new ATOM 0 HB3 ASP A 84 10.337 5.880 -1.659 1.00 0.00 H new ATOM 1280 N THR A 85 12.038 2.861 -2.947 1.00 0.00 N ATOM 1281 CA THR A 85 11.597 1.478 -2.811 1.00 0.00 C ATOM 1282 C THR A 85 10.639 1.320 -1.636 1.00 0.00 C ATOM 1283 O THR A 85 9.576 0.712 -1.766 1.00 0.00 O ATOM 1284 CB THR A 85 12.791 0.525 -2.617 1.00 0.00 C ATOM 1285 OG1 THR A 85 13.722 1.088 -1.686 1.00 0.00 O ATOM 1286 CG2 THR A 85 13.490 0.256 -3.941 1.00 0.00 C ATOM 0 H THR A 85 13.050 2.978 -2.999 1.00 0.00 H new ATOM 0 HA THR A 85 11.080 1.218 -3.735 1.00 0.00 H new ATOM 0 HB THR A 85 12.413 -0.419 -2.226 1.00 0.00 H new ATOM 0 HG1 THR A 85 14.477 0.475 -1.567 1.00 0.00 H new ATOM 0 HG21 THR A 85 14.330 -0.420 -3.778 1.00 0.00 H new ATOM 0 HG22 THR A 85 12.787 -0.200 -4.638 1.00 0.00 H new ATOM 0 HG23 THR A 85 13.855 1.195 -4.357 1.00 0.00 H new ATOM 1294 N VAL A 86 11.021 1.871 -0.488 1.00 0.00 N ATOM 1295 CA VAL A 86 10.194 1.792 0.711 1.00 0.00 C ATOM 1296 C VAL A 86 8.727 2.043 0.383 1.00 0.00 C ATOM 1297 O VAL A 86 7.839 1.361 0.897 1.00 0.00 O ATOM 1298 CB VAL A 86 10.652 2.806 1.776 1.00 0.00 C ATOM 1299 CG1 VAL A 86 10.158 4.202 1.431 1.00 0.00 C ATOM 1300 CG2 VAL A 86 10.167 2.385 3.155 1.00 0.00 C ATOM 0 H VAL A 86 11.898 2.377 -0.363 1.00 0.00 H new ATOM 0 HA VAL A 86 10.307 0.783 1.109 1.00 0.00 H new ATOM 0 HB VAL A 86 11.742 2.826 1.790 1.00 0.00 H new ATOM 0 HG11 VAL A 86 10.491 4.905 2.195 1.00 0.00 H new ATOM 0 HG12 VAL A 86 10.559 4.501 0.463 1.00 0.00 H new ATOM 0 HG13 VAL A 86 9.069 4.202 1.388 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.499 3.113 3.895 1.00 0.00 H new ATOM 0 HG22 VAL A 86 9.078 2.336 3.158 1.00 0.00 H new ATOM 0 HG23 VAL A 86 10.575 1.405 3.401 1.00 0.00 H new ATOM 1310 N LEU A 87 8.478 3.026 -0.475 1.00 0.00 N ATOM 1311 CA LEU A 87 7.117 3.368 -0.872 1.00 0.00 C ATOM 1312 C LEU A 87 6.492 2.247 -1.697 1.00 0.00 C ATOM 1313 O LEU A 87 5.357 1.839 -1.450 1.00 0.00 O ATOM 1314 CB LEU A 87 7.111 4.670 -1.675 1.00 0.00 C ATOM 1315 CG LEU A 87 5.806 5.468 -1.651 1.00 0.00 C ATOM 1316 CD1 LEU A 87 5.421 5.819 -0.223 1.00 0.00 C ATOM 1317 CD2 LEU A 87 5.935 6.727 -2.496 1.00 0.00 C ATOM 0 H LEU A 87 9.201 3.600 -0.909 1.00 0.00 H new ATOM 0 HA LEU A 87 6.524 3.503 0.033 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.911 5.308 -1.300 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.351 4.435 -2.712 1.00 0.00 H new ATOM 0 HG LEU A 87 5.016 4.849 -2.076 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.490 6.386 -0.226 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.286 4.903 0.353 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.210 6.419 0.230 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.997 7.282 -2.467 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.738 7.350 -2.101 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.163 6.452 -3.526 1.00 0.00 H new ATOM 1329 N VAL A 88 7.242 1.750 -2.675 1.00 0.00 N ATOM 1330 CA VAL A 88 6.763 0.674 -3.534 1.00 0.00 C ATOM 1331 C VAL A 88 6.426 -0.570 -2.719 1.00 0.00 C ATOM 1332 O VAL A 88 5.532 -1.337 -3.079 1.00 0.00 O ATOM 1333 CB VAL A 88 7.807 0.305 -4.605 1.00 0.00 C ATOM 1334 CG1 VAL A 88 7.279 -0.803 -5.505 1.00 0.00 C ATOM 1335 CG2 VAL A 88 8.188 1.530 -5.422 1.00 0.00 C ATOM 0 H VAL A 88 8.184 2.075 -2.892 1.00 0.00 H new ATOM 0 HA VAL A 88 5.861 1.038 -4.026 1.00 0.00 H new ATOM 0 HB VAL A 88 8.703 -0.062 -4.104 1.00 0.00 H new ATOM 0 HG11 VAL A 88 8.030 -1.051 -6.256 1.00 0.00 H new ATOM 0 HG12 VAL A 88 7.061 -1.686 -4.905 1.00 0.00 H new ATOM 0 HG13 VAL A 88 6.368 -0.467 -6.000 1.00 0.00 H new ATOM 0 HG21 VAL A 88 8.926 1.251 -6.174 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.301 1.929 -5.915 1.00 0.00 H new ATOM 0 HG23 VAL A 88 8.610 2.290 -4.764 1.00 0.00 H new ATOM 1345 N HIS A 89 7.146 -0.764 -1.619 1.00 0.00 N ATOM 1346 CA HIS A 89 6.922 -1.915 -0.752 1.00 0.00 C ATOM 1347 C HIS A 89 5.649 -1.736 0.070 1.00 0.00 C ATOM 1348 O HIS A 89 4.924 -2.697 0.325 1.00 0.00 O ATOM 1349 CB HIS A 89 8.119 -2.119 0.178 1.00 0.00 C ATOM 1350 CG HIS A 89 7.932 -3.237 1.158 1.00 0.00 C ATOM 1351 ND1 HIS A 89 8.711 -4.374 1.161 1.00 0.00 N ATOM 1352 CD2 HIS A 89 7.048 -3.385 2.173 1.00 0.00 C ATOM 1353 CE1 HIS A 89 8.314 -5.175 2.133 1.00 0.00 C ATOM 1354 NE2 HIS A 89 7.306 -4.598 2.763 1.00 0.00 N ATOM 0 H HIS A 89 7.889 -0.139 -1.307 1.00 0.00 H new ATOM 0 HA HIS A 89 6.806 -2.797 -1.382 1.00 0.00 H new ATOM 0 HB2 HIS A 89 9.006 -2.318 -0.423 1.00 0.00 H new ATOM 0 HB3 HIS A 89 8.306 -1.195 0.725 1.00 0.00 H new ATOM 0 HD2 HIS A 89 6.283 -2.681 2.464 1.00 0.00 H new ATOM 0 HE1 HIS A 89 8.741 -6.138 2.372 1.00 0.00 H new ATOM 0 HE2 HIS A 89 6.802 -4.990 3.558 1.00 0.00 H new ATOM 1363 N ARG A 90 5.385 -0.500 0.482 1.00 0.00 N ATOM 1364 CA ARG A 90 4.201 -0.197 1.277 1.00 0.00 C ATOM 1365 C ARG A 90 2.951 -0.177 0.403 1.00 0.00 C ATOM 1366 O ARG A 90 1.908 -0.714 0.780 1.00 0.00 O ATOM 1367 CB ARG A 90 4.366 1.151 1.981 1.00 0.00 C ATOM 1368 CG ARG A 90 5.448 1.153 3.048 1.00 0.00 C ATOM 1369 CD ARG A 90 6.080 2.528 3.198 1.00 0.00 C ATOM 1370 NE ARG A 90 6.726 2.695 4.497 1.00 0.00 N ATOM 1371 CZ ARG A 90 6.081 3.071 5.596 1.00 0.00 C ATOM 1372 NH1 ARG A 90 4.780 3.319 5.552 1.00 0.00 N ATOM 1373 NH2 ARG A 90 6.739 3.201 6.741 1.00 0.00 N ATOM 0 H ARG A 90 5.975 0.307 0.279 1.00 0.00 H new ATOM 0 HA ARG A 90 4.086 -0.980 2.027 1.00 0.00 H new ATOM 0 HB2 ARG A 90 4.599 1.913 1.238 1.00 0.00 H new ATOM 0 HB3 ARG A 90 3.417 1.431 2.438 1.00 0.00 H new ATOM 0 HG2 ARG A 90 5.021 0.842 4.001 1.00 0.00 H new ATOM 0 HG3 ARG A 90 6.216 0.424 2.790 1.00 0.00 H new ATOM 0 HD2 ARG A 90 6.814 2.678 2.406 1.00 0.00 H new ATOM 0 HD3 ARG A 90 5.315 3.294 3.073 1.00 0.00 H new ATOM 0 HE ARG A 90 7.727 2.513 4.564 1.00 0.00 H new ATOM 0 HH11 ARG A 90 4.272 3.221 4.673 1.00 0.00 H new ATOM 0 HH12 ARG A 90 4.287 3.608 6.397 1.00 0.00 H new ATOM 0 HH21 ARG A 90 7.741 3.012 6.778 1.00 0.00 H new ATOM 0 HH22 ARG A 90 6.243 3.490 7.584 1.00 0.00 H new ATOM 1387 N VAL A 91 3.061 0.445 -0.766 1.00 0.00 N ATOM 1388 CA VAL A 91 1.940 0.535 -1.694 1.00 0.00 C ATOM 1389 C VAL A 91 1.549 -0.843 -2.217 1.00 0.00 C ATOM 1390 O VAL A 91 0.405 -1.274 -2.067 1.00 0.00 O ATOM 1391 CB VAL A 91 2.271 1.450 -2.888 1.00 0.00 C ATOM 1392 CG1 VAL A 91 1.151 1.413 -3.916 1.00 0.00 C ATOM 1393 CG2 VAL A 91 2.525 2.873 -2.414 1.00 0.00 C ATOM 0 H VAL A 91 3.916 0.895 -1.093 1.00 0.00 H new ATOM 0 HA VAL A 91 1.104 0.962 -1.140 1.00 0.00 H new ATOM 0 HB VAL A 91 3.180 1.083 -3.364 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.403 2.065 -4.752 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.023 0.393 -4.278 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.224 1.754 -3.456 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.757 3.506 -3.271 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.635 3.254 -1.912 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.365 2.881 -1.719 1.00 0.00 H new ATOM 1403 N HIS A 92 2.506 -1.531 -2.831 1.00 0.00 N ATOM 1404 CA HIS A 92 2.262 -2.862 -3.375 1.00 0.00 C ATOM 1405 C HIS A 92 1.633 -3.772 -2.325 1.00 0.00 C ATOM 1406 O HIS A 92 0.882 -4.690 -2.654 1.00 0.00 O ATOM 1407 CB HIS A 92 3.566 -3.475 -3.884 1.00 0.00 C ATOM 1408 CG HIS A 92 3.393 -4.833 -4.492 1.00 0.00 C ATOM 1409 ND1 HIS A 92 3.378 -5.994 -3.748 1.00 0.00 N ATOM 1410 CD2 HIS A 92 3.225 -5.212 -5.781 1.00 0.00 C ATOM 1411 CE1 HIS A 92 3.210 -7.028 -4.553 1.00 0.00 C ATOM 1412 NE2 HIS A 92 3.114 -6.580 -5.792 1.00 0.00 N ATOM 0 H HIS A 92 3.458 -1.189 -2.964 1.00 0.00 H new ATOM 0 HA HIS A 92 1.566 -2.765 -4.208 1.00 0.00 H new ATOM 0 HB2 HIS A 92 4.006 -2.808 -4.625 1.00 0.00 H new ATOM 0 HB3 HIS A 92 4.273 -3.544 -3.057 1.00 0.00 H new ATOM 0 HD2 HIS A 92 3.186 -4.559 -6.641 1.00 0.00 H new ATOM 0 HE1 HIS A 92 3.160 -8.063 -4.250 1.00 0.00 H new ATOM 0 HE2 HIS A 92 2.979 -7.157 -6.622 1.00 0.00 H new ATOM 1421 N SER A 93 1.947 -3.512 -1.059 1.00 0.00 N ATOM 1422 CA SER A 93 1.417 -4.311 0.039 1.00 0.00 C ATOM 1423 C SER A 93 -0.064 -4.018 0.259 1.00 0.00 C ATOM 1424 O SER A 93 -0.910 -4.902 0.121 1.00 0.00 O ATOM 1425 CB SER A 93 2.199 -4.032 1.324 1.00 0.00 C ATOM 1426 OG SER A 93 1.851 -4.952 2.344 1.00 0.00 O ATOM 0 H SER A 93 2.566 -2.754 -0.769 1.00 0.00 H new ATOM 0 HA SER A 93 1.526 -5.363 -0.224 1.00 0.00 H new ATOM 0 HB2 SER A 93 3.269 -4.095 1.123 1.00 0.00 H new ATOM 0 HB3 SER A 93 1.997 -3.016 1.663 1.00 0.00 H new ATOM 0 HG SER A 93 2.366 -4.753 3.154 1.00 0.00 H new ATOM 1432 N TYR A 94 -0.370 -2.771 0.601 1.00 0.00 N ATOM 1433 CA TYR A 94 -1.748 -2.361 0.842 1.00 0.00 C ATOM 1434 C TYR A 94 -2.690 -2.988 -0.182 1.00 0.00 C ATOM 1435 O TYR A 94 -3.841 -3.302 0.126 1.00 0.00 O ATOM 1436 CB TYR A 94 -1.865 -0.837 0.792 1.00 0.00 C ATOM 1437 CG TYR A 94 -3.223 -0.348 0.344 1.00 0.00 C ATOM 1438 CD1 TYR A 94 -3.585 -0.372 -0.997 1.00 0.00 C ATOM 1439 CD2 TYR A 94 -4.146 0.138 1.262 1.00 0.00 C ATOM 1440 CE1 TYR A 94 -4.825 0.075 -1.411 1.00 0.00 C ATOM 1441 CE2 TYR A 94 -5.389 0.585 0.858 1.00 0.00 C ATOM 1442 CZ TYR A 94 -5.723 0.552 -0.480 1.00 0.00 C ATOM 1443 OH TYR A 94 -6.960 0.997 -0.888 1.00 0.00 O ATOM 0 H TYR A 94 0.318 -2.027 0.717 1.00 0.00 H new ATOM 0 HA TYR A 94 -2.035 -2.709 1.834 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -1.651 -0.432 1.781 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -1.106 -0.445 0.115 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -2.885 -0.747 -1.729 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.887 0.167 2.310 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -5.089 0.051 -2.458 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -6.095 0.958 1.585 1.00 0.00 H new ATOM 0 HH TYR A 94 -7.089 1.922 -0.592 1.00 0.00 H new ATOM 1453 N LEU A 95 -2.193 -3.168 -1.400 1.00 0.00 N ATOM 1454 CA LEU A 95 -2.989 -3.758 -2.471 1.00 0.00 C ATOM 1455 C LEU A 95 -3.117 -5.267 -2.286 1.00 0.00 C ATOM 1456 O LEU A 95 -4.218 -5.790 -2.123 1.00 0.00 O ATOM 1457 CB LEU A 95 -2.358 -3.451 -3.831 1.00 0.00 C ATOM 1458 CG LEU A 95 -2.453 -2.000 -4.302 1.00 0.00 C ATOM 1459 CD1 LEU A 95 -1.509 -1.755 -5.469 1.00 0.00 C ATOM 1460 CD2 LEU A 95 -3.884 -1.658 -4.691 1.00 0.00 C ATOM 0 H LEU A 95 -1.243 -2.914 -1.671 1.00 0.00 H new ATOM 0 HA LEU A 95 -3.986 -3.320 -2.433 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.305 -3.731 -3.792 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.830 -4.087 -4.580 1.00 0.00 H new ATOM 0 HG LEU A 95 -2.156 -1.351 -3.478 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.590 -0.717 -5.791 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -0.485 -1.959 -5.157 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.775 -2.413 -6.296 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -3.933 -0.621 -5.024 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -4.208 -2.314 -5.499 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.538 -1.794 -3.829 1.00 0.00 H new ATOM 1472 N GLU A 96 -1.982 -5.959 -2.311 1.00 0.00 N ATOM 1473 CA GLU A 96 -1.969 -7.408 -2.145 1.00 0.00 C ATOM 1474 C GLU A 96 -2.560 -7.806 -0.796 1.00 0.00 C ATOM 1475 O GLU A 96 -3.526 -8.566 -0.729 1.00 0.00 O ATOM 1476 CB GLU A 96 -0.541 -7.944 -2.267 1.00 0.00 C ATOM 1477 CG GLU A 96 -0.423 -9.432 -1.982 1.00 0.00 C ATOM 1478 CD GLU A 96 -0.244 -9.731 -0.506 1.00 0.00 C ATOM 1479 OE1 GLU A 96 0.909 -9.691 -0.029 1.00 0.00 O ATOM 1480 OE2 GLU A 96 -1.257 -10.005 0.171 1.00 0.00 O ATOM 0 H GLU A 96 -1.061 -5.541 -2.444 1.00 0.00 H new ATOM 0 HA GLU A 96 -2.582 -7.844 -2.934 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -0.172 -7.745 -3.273 1.00 0.00 H new ATOM 0 HB3 GLU A 96 0.103 -7.398 -1.577 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -1.316 -9.940 -2.346 1.00 0.00 H new ATOM 0 HG3 GLU A 96 0.423 -9.838 -2.536 1.00 0.00 H new ATOM 1487 N ARG A 97 -1.971 -7.288 0.277 1.00 0.00 N ATOM 1488 CA ARG A 97 -2.437 -7.591 1.625 1.00 0.00 C ATOM 1489 C ARG A 97 -3.961 -7.556 1.694 1.00 0.00 C ATOM 1490 O ARG A 97 -4.592 -8.489 2.191 1.00 0.00 O ATOM 1491 CB ARG A 97 -1.849 -6.595 2.627 1.00 0.00 C ATOM 1492 CG ARG A 97 -0.450 -6.960 3.097 1.00 0.00 C ATOM 1493 CD ARG A 97 -0.477 -8.122 4.078 1.00 0.00 C ATOM 1494 NE ARG A 97 0.629 -8.060 5.029 1.00 0.00 N ATOM 1495 CZ ARG A 97 1.093 -9.117 5.687 1.00 0.00 C ATOM 1496 NH1 ARG A 97 0.549 -10.312 5.496 1.00 0.00 N ATOM 1497 NH2 ARG A 97 2.102 -8.981 6.537 1.00 0.00 N ATOM 0 H ARG A 97 -1.171 -6.657 0.239 1.00 0.00 H new ATOM 0 HA ARG A 97 -2.101 -8.596 1.881 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -1.824 -5.605 2.171 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -2.509 -6.530 3.492 1.00 0.00 H new ATOM 0 HG2 ARG A 97 0.167 -7.222 2.237 1.00 0.00 H new ATOM 0 HG3 ARG A 97 0.014 -6.094 3.570 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -1.422 -8.117 4.620 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -0.430 -9.062 3.528 1.00 0.00 H new ATOM 0 HE ARG A 97 1.070 -7.156 5.198 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -0.227 -10.421 4.843 1.00 0.00 H new ATOM 0 HH12 ARG A 97 0.907 -11.122 6.002 1.00 0.00 H new ATOM 0 HH21 ARG A 97 2.523 -8.064 6.686 1.00 0.00 H new ATOM 0 HH22 ARG A 97 2.457 -9.793 7.041 1.00 0.00 H new ATOM 1511 N HIS A 98 -4.547 -6.474 1.191 1.00 0.00 N ATOM 1512 CA HIS A 98 -5.997 -6.318 1.195 1.00 0.00 C ATOM 1513 C HIS A 98 -6.660 -7.373 0.315 1.00 0.00 C ATOM 1514 O HIS A 98 -7.731 -7.883 0.640 1.00 0.00 O ATOM 1515 CB HIS A 98 -6.382 -4.919 0.712 1.00 0.00 C ATOM 1516 CG HIS A 98 -6.156 -3.848 1.735 1.00 0.00 C ATOM 1517 ND1 HIS A 98 -6.967 -2.741 1.857 1.00 0.00 N ATOM 1518 CD2 HIS A 98 -5.203 -3.722 2.687 1.00 0.00 C ATOM 1519 CE1 HIS A 98 -6.523 -1.978 2.839 1.00 0.00 C ATOM 1520 NE2 HIS A 98 -5.453 -2.551 3.360 1.00 0.00 N ATOM 0 H HIS A 98 -4.040 -5.693 0.776 1.00 0.00 H new ATOM 0 HA HIS A 98 -6.349 -6.451 2.218 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -5.807 -4.682 -0.183 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -7.433 -4.919 0.425 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -4.396 -4.413 2.881 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -6.960 -1.045 3.161 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -4.902 -2.184 4.136 1.00 0.00 H new ATOM 1529 N GLY A 99 -6.015 -7.695 -0.802 1.00 0.00 N ATOM 1530 CA GLY A 99 -6.557 -8.687 -1.712 1.00 0.00 C ATOM 1531 C GLY A 99 -7.041 -8.078 -3.013 1.00 0.00 C ATOM 1532 O GLY A 99 -8.061 -8.497 -3.562 1.00 0.00 O ATOM 0 H GLY A 99 -5.127 -7.287 -1.093 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -5.793 -9.434 -1.926 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -7.384 -9.206 -1.228 1.00 0.00 H new ATOM 1536 N LEU A 100 -6.310 -7.085 -3.507 1.00 0.00 N ATOM 1537 CA LEU A 100 -6.672 -6.415 -4.751 1.00 0.00 C ATOM 1538 C LEU A 100 -5.772 -6.869 -5.896 1.00 0.00 C ATOM 1539 O LEU A 100 -6.063 -6.617 -7.065 1.00 0.00 O ATOM 1540 CB LEU A 100 -6.575 -4.897 -4.583 1.00 0.00 C ATOM 1541 CG LEU A 100 -7.071 -4.337 -3.250 1.00 0.00 C ATOM 1542 CD1 LEU A 100 -7.612 -2.927 -3.432 1.00 0.00 C ATOM 1543 CD2 LEU A 100 -8.136 -5.245 -2.653 1.00 0.00 C ATOM 0 H LEU A 100 -5.463 -6.726 -3.065 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.700 -6.683 -4.993 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.533 -4.603 -4.713 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -7.142 -4.426 -5.386 1.00 0.00 H new ATOM 0 HG LEU A 100 -6.229 -4.295 -2.559 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -7.961 -2.544 -2.473 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.822 -2.281 -3.815 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -8.442 -2.944 -4.139 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.477 -4.831 -1.704 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -8.978 -5.319 -3.341 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.716 -6.237 -2.486 1.00 0.00 H new ATOM 1555 N ILE A 101 -4.679 -7.542 -5.551 1.00 0.00 N ATOM 1556 CA ILE A 101 -3.739 -8.034 -6.550 1.00 0.00 C ATOM 1557 C ILE A 101 -3.231 -9.426 -6.188 1.00 0.00 C ATOM 1558 O ILE A 101 -3.026 -9.737 -5.016 1.00 0.00 O ATOM 1559 CB ILE A 101 -2.535 -7.086 -6.706 1.00 0.00 C ATOM 1560 CG1 ILE A 101 -1.796 -6.941 -5.375 1.00 0.00 C ATOM 1561 CG2 ILE A 101 -2.994 -5.727 -7.214 1.00 0.00 C ATOM 1562 CD1 ILE A 101 -0.331 -6.599 -5.531 1.00 0.00 C ATOM 0 H ILE A 101 -4.423 -7.759 -4.588 1.00 0.00 H new ATOM 0 HA ILE A 101 -4.279 -8.081 -7.495 1.00 0.00 H new ATOM 0 HB ILE A 101 -1.848 -7.513 -7.437 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.281 -6.165 -4.782 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -1.886 -7.872 -4.816 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -2.132 -5.068 -7.319 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -3.480 -5.846 -8.182 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -3.699 -5.293 -6.505 1.00 0.00 H new ATOM 0 HD11 ILE A 101 0.129 -6.512 -4.547 1.00 0.00 H new ATOM 0 HD12 ILE A 101 0.168 -7.386 -6.096 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -0.233 -5.652 -6.063 1.00 0.00 H new ATOM 1574 N ASN A 102 -3.029 -10.259 -7.204 1.00 0.00 N ATOM 1575 CA ASN A 102 -2.544 -11.618 -6.993 1.00 0.00 C ATOM 1576 C ASN A 102 -3.554 -12.439 -6.197 1.00 0.00 C ATOM 1577 O ASN A 102 -3.225 -13.010 -5.157 1.00 0.00 O ATOM 1578 CB ASN A 102 -1.200 -11.594 -6.262 1.00 0.00 C ATOM 1579 CG ASN A 102 -0.185 -10.700 -6.947 1.00 0.00 C ATOM 1580 OD1 ASN A 102 -0.542 -9.841 -7.753 1.00 0.00 O ATOM 1581 ND2 ASN A 102 1.089 -10.900 -6.629 1.00 0.00 N ATOM 0 H ASN A 102 -3.194 -10.017 -8.181 1.00 0.00 H new ATOM 0 HA ASN A 102 -2.411 -12.085 -7.969 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -1.352 -11.249 -5.239 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -0.804 -12.608 -6.201 1.00 0.00 H new ATOM 0 HD21 ASN A 102 1.817 -10.330 -7.058 1.00 0.00 H new ATOM 0 HD22 ASN A 102 1.339 -11.624 -5.955 1.00 0.00 H new ATOM 1588 N PHE A 103 -4.786 -12.494 -6.694 1.00 0.00 N ATOM 1589 CA PHE A 103 -5.845 -13.245 -6.029 1.00 0.00 C ATOM 1590 C PHE A 103 -6.392 -14.338 -6.943 1.00 0.00 C ATOM 1591 O PHE A 103 -7.578 -14.661 -6.901 1.00 0.00 O ATOM 1592 CB PHE A 103 -6.976 -12.306 -5.605 1.00 0.00 C ATOM 1593 CG PHE A 103 -7.384 -11.336 -6.677 1.00 0.00 C ATOM 1594 CD1 PHE A 103 -7.764 -11.788 -7.930 1.00 0.00 C ATOM 1595 CD2 PHE A 103 -7.386 -9.972 -6.432 1.00 0.00 C ATOM 1596 CE1 PHE A 103 -8.141 -10.898 -8.919 1.00 0.00 C ATOM 1597 CE2 PHE A 103 -7.762 -9.078 -7.416 1.00 0.00 C ATOM 1598 CZ PHE A 103 -8.138 -9.541 -8.662 1.00 0.00 C ATOM 0 H PHE A 103 -5.075 -12.028 -7.554 1.00 0.00 H new ATOM 0 HA PHE A 103 -5.421 -13.716 -5.142 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -7.842 -12.901 -5.316 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -6.663 -11.749 -4.722 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -7.766 -12.848 -8.137 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -7.090 -9.604 -5.461 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -8.437 -11.264 -9.891 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -7.762 -8.018 -7.211 1.00 0.00 H new ATOM 0 HZ PHE A 103 -8.429 -8.843 -9.433 1.00 0.00 H new ATOM 1608 N GLY A 104 -5.517 -14.903 -7.770 1.00 0.00 N ATOM 1609 CA GLY A 104 -5.931 -15.952 -8.683 1.00 0.00 C ATOM 1610 C GLY A 104 -4.792 -16.884 -9.049 1.00 0.00 C ATOM 1611 O GLY A 104 -4.776 -18.046 -8.642 1.00 0.00 O ATOM 0 H GLY A 104 -4.530 -14.653 -7.824 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -6.736 -16.529 -8.228 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -6.334 -15.502 -9.590 1.00 0.00 H new ATOM 1615 N ILE A 105 -3.838 -16.374 -9.821 1.00 0.00 N ATOM 1616 CA ILE A 105 -2.691 -17.169 -10.243 1.00 0.00 C ATOM 1617 C ILE A 105 -2.290 -18.170 -9.165 1.00 0.00 C ATOM 1618 O ILE A 105 -1.905 -19.300 -9.465 1.00 0.00 O ATOM 1619 CB ILE A 105 -1.480 -16.277 -10.576 1.00 0.00 C ATOM 1620 CG1 ILE A 105 -1.001 -15.542 -9.323 1.00 0.00 C ATOM 1621 CG2 ILE A 105 -1.838 -15.286 -11.673 1.00 0.00 C ATOM 1622 CD1 ILE A 105 -1.988 -14.518 -8.808 1.00 0.00 C ATOM 0 H ILE A 105 -3.837 -15.414 -10.167 1.00 0.00 H new ATOM 0 HA ILE A 105 -2.993 -17.708 -11.141 1.00 0.00 H new ATOM 0 HB ILE A 105 -0.669 -16.910 -10.936 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.803 -16.271 -8.537 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -0.056 -15.045 -9.542 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -0.972 -14.663 -11.897 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.137 -15.828 -12.570 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -2.662 -14.656 -11.339 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -1.582 -14.036 -7.918 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.168 -13.767 -9.577 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -2.927 -15.012 -8.557 1.00 0.00 H new