USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 554 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 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 26 THR OG1 : rot 93:sc= 0.0397 USER MOD Set 1.3: A 67 SER OG : rot -59:sc= 0.723 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.192 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -1.05 K(o=-1.1,f=-2.5) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 136:sc= 0.862 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -83:sc= 0.353 USER MOD Single : A 42 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.613) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.281 K(o=-0.28,f=-2.2!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl 158:sc= -9.35! (180deg=-11.3!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -0.289 K(o=-0.29,f=-2!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.0328 USER MOD Single : A 86 ASN : amide:sc= -0.476 K(o=-0.48,f=-3.2!) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.116 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 149 N CYS A 11 -8.411 3.686 -9.735 1.00 0.00 N ATOM 150 CA CYS A 11 -8.886 2.522 -10.465 1.00 0.00 C ATOM 151 C CYS A 11 -10.218 2.881 -11.127 1.00 0.00 C ATOM 152 O CYS A 11 -10.563 4.057 -11.240 1.00 0.00 O ATOM 153 CB CYS A 11 -9.014 1.299 -9.556 1.00 0.00 C ATOM 154 SG CYS A 11 -10.444 1.335 -8.415 1.00 0.00 S ATOM 0 HA CYS A 11 -8.161 2.250 -11.232 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -9.087 0.407 -10.179 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -8.101 1.204 -8.968 1.00 0.00 H new ATOM 159 N VAL A 12 -10.930 1.847 -11.549 1.00 0.00 N ATOM 160 CA VAL A 12 -12.216 2.039 -12.198 1.00 0.00 C ATOM 161 C VAL A 12 -13.336 1.717 -11.206 1.00 0.00 C ATOM 162 O VAL A 12 -13.947 2.623 -10.641 1.00 0.00 O ATOM 163 CB VAL A 12 -12.289 1.198 -13.474 1.00 0.00 C ATOM 164 CG1 VAL A 12 -12.721 2.050 -14.669 1.00 0.00 C ATOM 165 CG2 VAL A 12 -10.953 0.504 -13.751 1.00 0.00 C ATOM 0 H VAL A 12 -10.641 0.873 -11.454 1.00 0.00 H new ATOM 0 HA VAL A 12 -12.339 3.079 -12.502 1.00 0.00 H new ATOM 0 HB VAL A 12 -13.043 0.426 -13.323 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -12.765 1.428 -15.563 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -13.705 2.476 -14.475 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -12.001 2.854 -14.822 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.032 -0.087 -14.663 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -10.171 1.254 -13.871 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.703 -0.150 -12.916 1.00 0.00 H new ATOM 175 N SER A 13 -13.570 0.425 -11.025 1.00 0.00 N ATOM 176 CA SER A 13 -14.605 -0.025 -10.111 1.00 0.00 C ATOM 177 C SER A 13 -13.972 -0.724 -8.907 1.00 0.00 C ATOM 178 O SER A 13 -12.777 -0.577 -8.658 1.00 0.00 O ATOM 179 CB SER A 13 -15.588 -0.965 -10.814 1.00 0.00 C ATOM 180 OG SER A 13 -16.943 -0.626 -10.533 1.00 0.00 O ATOM 0 H SER A 13 -13.061 -0.323 -11.496 1.00 0.00 H new ATOM 0 HA SER A 13 -15.160 0.847 -9.766 1.00 0.00 H new ATOM 0 HB2 SER A 13 -15.420 -0.926 -11.890 1.00 0.00 H new ATOM 0 HB3 SER A 13 -15.398 -1.991 -10.498 1.00 0.00 H new ATOM 0 HG SER A 13 -17.539 -1.247 -11.001 1.00 0.00 H new ATOM 186 N LEU A 14 -14.802 -1.468 -8.191 1.00 0.00 N ATOM 187 CA LEU A 14 -14.338 -2.190 -7.018 1.00 0.00 C ATOM 188 C LEU A 14 -14.336 -3.691 -7.315 1.00 0.00 C ATOM 189 O LEU A 14 -15.382 -4.336 -7.280 1.00 0.00 O ATOM 190 CB LEU A 14 -15.167 -1.808 -5.790 1.00 0.00 C ATOM 191 CG LEU A 14 -14.591 -0.697 -4.910 1.00 0.00 C ATOM 192 CD1 LEU A 14 -15.583 -0.291 -3.819 1.00 0.00 C ATOM 193 CD2 LEU A 14 -13.236 -1.106 -4.329 1.00 0.00 C ATOM 0 H LEU A 14 -15.793 -1.587 -8.400 1.00 0.00 H new ATOM 0 HA LEU A 14 -13.312 -1.910 -6.781 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -16.157 -1.501 -6.126 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -15.301 -2.698 -5.175 1.00 0.00 H new ATOM 0 HG LEU A 14 -14.423 0.181 -5.534 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -15.148 0.500 -3.208 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -16.503 0.070 -4.279 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -15.806 -1.153 -3.191 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -12.848 -0.299 -3.707 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -13.356 -2.005 -3.724 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -12.537 -1.306 -5.141 1.00 0.00 H new ATOM 205 N THR A 15 -13.148 -4.203 -7.602 1.00 0.00 N ATOM 206 CA THR A 15 -12.995 -5.615 -7.905 1.00 0.00 C ATOM 207 C THR A 15 -13.555 -5.926 -9.295 1.00 0.00 C ATOM 208 O THR A 15 -13.321 -5.178 -10.244 1.00 0.00 O ATOM 209 CB THR A 15 -13.668 -6.415 -6.787 1.00 0.00 C ATOM 210 OG1 THR A 15 -13.341 -5.694 -5.601 1.00 0.00 O ATOM 211 CG2 THR A 15 -13.024 -7.787 -6.580 1.00 0.00 C ATOM 0 H THR A 15 -12.282 -3.664 -7.631 1.00 0.00 H new ATOM 0 HA THR A 15 -11.943 -5.899 -7.941 1.00 0.00 H new ATOM 0 HB THR A 15 -14.726 -6.542 -7.017 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.739 -6.142 -4.826 1.00 0.00 H new ATOM 0 HG21 THR A 15 -13.539 -8.313 -5.776 1.00 0.00 H new ATOM 0 HG22 THR A 15 -13.100 -8.367 -7.500 1.00 0.00 H new ATOM 0 HG23 THR A 15 -11.974 -7.660 -6.316 1.00 0.00 H new ATOM 219 N THR A 16 -14.284 -7.030 -9.372 1.00 0.00 N ATOM 220 CA THR A 16 -14.878 -7.448 -10.629 1.00 0.00 C ATOM 221 C THR A 16 -13.847 -8.179 -11.490 1.00 0.00 C ATOM 222 O THR A 16 -14.174 -8.687 -12.562 1.00 0.00 O ATOM 223 CB THR A 16 -15.468 -6.210 -11.308 1.00 0.00 C ATOM 224 OG1 THR A 16 -16.680 -6.679 -11.894 1.00 0.00 O ATOM 225 CG2 THR A 16 -14.634 -5.744 -12.502 1.00 0.00 C ATOM 0 H THR A 16 -14.476 -7.648 -8.583 1.00 0.00 H new ATOM 0 HA THR A 16 -15.684 -8.163 -10.466 1.00 0.00 H new ATOM 0 HB THR A 16 -15.546 -5.401 -10.582 1.00 0.00 H new ATOM 0 HG1 THR A 16 -17.129 -5.939 -12.354 1.00 0.00 H new ATOM 0 HG21 THR A 16 -15.097 -4.863 -12.947 1.00 0.00 H new ATOM 0 HG22 THR A 16 -13.627 -5.495 -12.167 1.00 0.00 H new ATOM 0 HG23 THR A 16 -14.583 -6.541 -13.244 1.00 0.00 H new ATOM 233 N GLN A 17 -12.621 -8.211 -10.989 1.00 0.00 N ATOM 234 CA GLN A 17 -11.539 -8.872 -11.699 1.00 0.00 C ATOM 235 C GLN A 17 -10.666 -9.661 -10.720 1.00 0.00 C ATOM 236 O GLN A 17 -9.729 -9.115 -10.140 1.00 0.00 O ATOM 237 CB GLN A 17 -10.703 -7.862 -12.487 1.00 0.00 C ATOM 238 CG GLN A 17 -10.118 -6.793 -11.563 1.00 0.00 C ATOM 239 CD GLN A 17 -9.800 -5.512 -12.337 1.00 0.00 C ATOM 240 OE1 GLN A 17 -8.722 -5.337 -12.880 1.00 0.00 O ATOM 241 NE2 GLN A 17 -10.795 -4.630 -12.357 1.00 0.00 N ATOM 0 H GLN A 17 -12.353 -7.790 -10.100 1.00 0.00 H new ATOM 0 HA GLN A 17 -11.973 -9.571 -12.414 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -9.896 -8.379 -13.007 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -11.322 -7.389 -13.250 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -10.825 -6.573 -10.763 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.211 -7.172 -11.092 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -11.672 -4.840 -11.881 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -10.681 -3.743 -12.848 1.00 0.00 H new ATOM 250 N ARG A 18 -11.004 -10.933 -10.569 1.00 0.00 N ATOM 251 CA ARG A 18 -10.263 -11.803 -9.671 1.00 0.00 C ATOM 252 C ARG A 18 -8.851 -12.042 -10.210 1.00 0.00 C ATOM 253 O ARG A 18 -8.508 -13.164 -10.582 1.00 0.00 O ATOM 254 CB ARG A 18 -10.971 -13.148 -9.498 1.00 0.00 C ATOM 255 CG ARG A 18 -10.979 -13.578 -8.030 1.00 0.00 C ATOM 256 CD ARG A 18 -10.434 -15.000 -7.872 1.00 0.00 C ATOM 257 NE ARG A 18 -11.548 -15.946 -7.641 1.00 0.00 N ATOM 258 CZ ARG A 18 -11.415 -17.279 -7.649 1.00 0.00 C ATOM 259 NH1 ARG A 18 -10.216 -17.832 -7.877 1.00 0.00 N ATOM 260 NH2 ARG A 18 -12.482 -18.060 -7.428 1.00 0.00 N ATOM 0 H ARG A 18 -11.781 -11.382 -11.053 1.00 0.00 H new ATOM 0 HA ARG A 18 -10.207 -11.309 -8.701 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -11.995 -13.074 -9.865 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -10.471 -13.906 -10.100 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.376 -12.886 -7.441 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -11.995 -13.528 -7.638 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.881 -15.288 -8.766 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.734 -15.039 -7.038 1.00 0.00 H new ATOM 0 HE ARG A 18 -12.475 -15.559 -7.465 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -9.404 -17.238 -8.045 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -10.115 -18.847 -7.883 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -13.395 -17.639 -7.254 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -12.381 -19.075 -7.434 1.00 0.00 H new ATOM 274 N LEU A 19 -8.072 -10.971 -10.235 1.00 0.00 N ATOM 275 CA LEU A 19 -6.705 -11.051 -10.722 1.00 0.00 C ATOM 276 C LEU A 19 -5.905 -12.001 -9.828 1.00 0.00 C ATOM 277 O LEU A 19 -6.051 -11.980 -8.608 1.00 0.00 O ATOM 278 CB LEU A 19 -6.094 -9.654 -10.837 1.00 0.00 C ATOM 279 CG LEU A 19 -6.046 -9.057 -12.246 1.00 0.00 C ATOM 280 CD1 LEU A 19 -7.336 -8.301 -12.565 1.00 0.00 C ATOM 281 CD2 LEU A 19 -4.807 -8.177 -12.426 1.00 0.00 C ATOM 0 H LEU A 19 -8.361 -10.043 -9.926 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.683 -11.466 -11.730 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.660 -8.978 -10.196 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.078 -9.690 -10.444 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.967 -9.876 -12.961 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.276 -7.887 -13.571 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.183 -8.985 -12.504 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.470 -7.492 -11.847 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.797 -7.765 -13.435 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.831 -7.363 -11.702 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.910 -8.776 -12.269 1.00 0.00 H new ATOM 293 N PRO A 20 -5.053 -12.830 -10.488 1.00 0.00 N ATOM 294 CA PRO A 20 -4.229 -13.786 -9.767 1.00 0.00 C ATOM 295 C PRO A 20 -3.061 -13.085 -9.070 1.00 0.00 C ATOM 296 O PRO A 20 -2.370 -12.269 -9.678 1.00 0.00 O ATOM 297 CB PRO A 20 -3.779 -14.789 -10.816 1.00 0.00 C ATOM 298 CG PRO A 20 -3.981 -14.106 -12.159 1.00 0.00 C ATOM 299 CD PRO A 20 -4.853 -12.882 -11.934 1.00 0.00 C ATOM 0 HA PRO A 20 -4.770 -14.287 -8.964 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -2.734 -15.064 -10.671 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -4.362 -15.708 -10.753 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -3.022 -13.817 -12.588 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -4.455 -14.787 -12.866 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -4.367 -11.977 -12.299 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -5.802 -12.970 -12.462 1.00 0.00 H new ATOM 307 N VAL A 21 -2.877 -13.429 -7.804 1.00 0.00 N ATOM 308 CA VAL A 21 -1.804 -12.843 -7.018 1.00 0.00 C ATOM 309 C VAL A 21 -0.488 -12.967 -7.787 1.00 0.00 C ATOM 310 O VAL A 21 0.377 -12.098 -7.688 1.00 0.00 O ATOM 311 CB VAL A 21 -1.752 -13.496 -5.635 1.00 0.00 C ATOM 312 CG1 VAL A 21 -0.768 -14.668 -5.619 1.00 0.00 C ATOM 313 CG2 VAL A 21 -1.400 -12.470 -4.557 1.00 0.00 C ATOM 0 H VAL A 21 -3.452 -14.106 -7.303 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.986 -11.781 -6.855 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.744 -13.888 -5.412 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.750 -15.114 -4.625 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.081 -15.416 -6.347 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.229 -14.309 -5.874 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.370 -12.960 -3.584 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.425 -12.034 -4.774 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -2.154 -11.683 -4.543 1.00 0.00 H new ATOM 323 N SER A 22 -0.378 -14.053 -8.538 1.00 0.00 N ATOM 324 CA SER A 22 0.819 -14.301 -9.324 1.00 0.00 C ATOM 325 C SER A 22 1.084 -13.122 -10.261 1.00 0.00 C ATOM 326 O SER A 22 2.228 -12.702 -10.429 1.00 0.00 O ATOM 327 CB SER A 22 0.692 -15.599 -10.125 1.00 0.00 C ATOM 328 OG SER A 22 1.895 -16.360 -10.103 1.00 0.00 O ATOM 0 H SER A 22 -1.098 -14.771 -8.619 1.00 0.00 H new ATOM 0 HA SER A 22 1.661 -14.408 -8.640 1.00 0.00 H new ATOM 0 HB2 SER A 22 -0.123 -16.198 -9.718 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.431 -15.364 -11.157 1.00 0.00 H new ATOM 0 HG SER A 22 1.772 -17.181 -10.624 1.00 0.00 H new ATOM 334 N ARG A 23 0.007 -12.620 -10.848 1.00 0.00 N ATOM 335 CA ARG A 23 0.109 -11.497 -11.763 1.00 0.00 C ATOM 336 C ARG A 23 0.038 -10.176 -10.994 1.00 0.00 C ATOM 337 O ARG A 23 -0.153 -9.117 -11.589 1.00 0.00 O ATOM 338 CB ARG A 23 -1.012 -11.532 -12.805 1.00 0.00 C ATOM 339 CG ARG A 23 -0.446 -11.733 -14.213 1.00 0.00 C ATOM 340 CD ARG A 23 -0.464 -13.211 -14.605 1.00 0.00 C ATOM 341 NE ARG A 23 -1.181 -13.386 -15.889 1.00 0.00 N ATOM 342 CZ ARG A 23 -0.644 -13.132 -17.089 1.00 0.00 C ATOM 343 NH1 ARG A 23 0.619 -12.693 -17.179 1.00 0.00 N ATOM 344 NH2 ARG A 23 -1.369 -13.319 -18.201 1.00 0.00 N ATOM 0 H ARG A 23 -0.940 -12.971 -10.707 1.00 0.00 H new ATOM 0 HA ARG A 23 1.069 -11.573 -12.274 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.707 -12.338 -12.570 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.579 -10.602 -12.766 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.030 -11.156 -14.930 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.575 -11.354 -14.256 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.556 -13.584 -14.695 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.950 -13.797 -13.825 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.144 -13.721 -15.857 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.172 -12.552 -16.333 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.028 -12.500 -18.093 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.330 -13.655 -18.133 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -0.960 -13.125 -19.115 1.00 0.00 H new ATOM 358 N ILE A 24 0.198 -10.283 -9.683 1.00 0.00 N ATOM 359 CA ILE A 24 0.154 -9.110 -8.826 1.00 0.00 C ATOM 360 C ILE A 24 1.518 -8.921 -8.160 1.00 0.00 C ATOM 361 O ILE A 24 2.194 -9.895 -7.832 1.00 0.00 O ATOM 362 CB ILE A 24 -1.006 -9.214 -7.834 1.00 0.00 C ATOM 363 CG1 ILE A 24 -2.349 -9.274 -8.565 1.00 0.00 C ATOM 364 CG2 ILE A 24 -0.958 -8.074 -6.814 1.00 0.00 C ATOM 365 CD1 ILE A 24 -3.508 -9.396 -7.573 1.00 0.00 C ATOM 0 H ILE A 24 0.358 -11.163 -9.193 1.00 0.00 H new ATOM 0 HA ILE A 24 -0.041 -8.214 -9.415 1.00 0.00 H new ATOM 0 HB ILE A 24 -0.900 -10.147 -7.280 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.477 -8.377 -9.171 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.358 -10.124 -9.247 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -1.793 -8.171 -6.120 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.020 -8.120 -6.261 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.027 -7.118 -7.333 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.451 -9.437 -8.118 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.389 -10.306 -6.985 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.510 -8.532 -6.908 1.00 0.00 H new ATOM 377 N LYS A 25 1.882 -7.659 -7.979 1.00 0.00 N ATOM 378 CA LYS A 25 3.154 -7.330 -7.357 1.00 0.00 C ATOM 379 C LYS A 25 2.919 -6.955 -5.893 1.00 0.00 C ATOM 380 O LYS A 25 3.207 -7.743 -4.993 1.00 0.00 O ATOM 381 CB LYS A 25 3.878 -6.248 -8.160 1.00 0.00 C ATOM 382 CG LYS A 25 5.393 -6.348 -7.975 1.00 0.00 C ATOM 383 CD LYS A 25 5.804 -5.902 -6.570 1.00 0.00 C ATOM 384 CE LYS A 25 6.776 -4.721 -6.633 1.00 0.00 C ATOM 385 NZ LYS A 25 7.250 -4.368 -5.276 1.00 0.00 N ATOM 0 H LYS A 25 1.319 -6.853 -8.252 1.00 0.00 H new ATOM 0 HA LYS A 25 3.816 -8.196 -7.362 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.630 -6.347 -9.217 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.534 -5.264 -7.843 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.717 -7.375 -8.144 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.895 -5.729 -8.718 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.919 -5.619 -6.001 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.270 -6.734 -6.042 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.626 -4.975 -7.267 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.284 -3.861 -7.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.908 -3.565 -5.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.438 -4.106 -4.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.737 -5.185 -4.855 1.00 0.00 H new ATOM 399 N THR A 26 2.397 -5.752 -5.699 1.00 0.00 N ATOM 400 CA THR A 26 2.120 -5.264 -4.359 1.00 0.00 C ATOM 401 C THR A 26 0.692 -4.721 -4.274 1.00 0.00 C ATOM 402 O THR A 26 -0.032 -4.710 -5.268 1.00 0.00 O ATOM 403 CB THR A 26 3.187 -4.226 -4.004 1.00 0.00 C ATOM 404 OG1 THR A 26 3.199 -4.215 -2.579 1.00 0.00 O ATOM 405 CG2 THR A 26 2.769 -2.804 -4.384 1.00 0.00 C ATOM 0 H THR A 26 2.159 -5.101 -6.448 1.00 0.00 H new ATOM 0 HA THR A 26 2.172 -6.069 -3.626 1.00 0.00 H new ATOM 0 HB THR A 26 4.120 -4.477 -4.508 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.883 -4.836 -2.253 1.00 0.00 H new ATOM 0 HG21 THR A 26 3.561 -2.107 -4.111 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.594 -2.751 -5.459 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.854 -2.540 -3.854 1.00 0.00 H new ATOM 413 N TYR A 27 0.330 -4.284 -3.077 1.00 0.00 N ATOM 414 CA TYR A 27 -1.000 -3.741 -2.849 1.00 0.00 C ATOM 415 C TYR A 27 -0.950 -2.561 -1.877 1.00 0.00 C ATOM 416 O TYR A 27 -0.032 -2.460 -1.064 1.00 0.00 O ATOM 417 CB TYR A 27 -1.815 -4.871 -2.219 1.00 0.00 C ATOM 418 CG TYR A 27 -1.206 -5.436 -0.934 1.00 0.00 C ATOM 419 CD1 TYR A 27 -0.019 -6.139 -0.983 1.00 0.00 C ATOM 420 CD2 TYR A 27 -1.845 -5.242 0.274 1.00 0.00 C ATOM 421 CE1 TYR A 27 0.554 -6.670 0.227 1.00 0.00 C ATOM 422 CE2 TYR A 27 -1.272 -5.774 1.484 1.00 0.00 C ATOM 423 CZ TYR A 27 -0.101 -6.461 1.400 1.00 0.00 C ATOM 424 OH TYR A 27 0.440 -6.962 2.543 1.00 0.00 O ATOM 0 H TYR A 27 0.933 -4.294 -2.255 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.434 -3.384 -3.783 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -2.818 -4.504 -2.003 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -1.920 -5.678 -2.944 1.00 0.00 H new ATOM 0 HD1 TYR A 27 0.480 -6.291 -1.929 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -2.774 -4.692 0.312 1.00 0.00 H new ATOM 0 HE1 TYR A 27 1.482 -7.221 0.203 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -1.761 -5.631 2.436 1.00 0.00 H new ATOM 0 HH TYR A 27 -0.135 -6.735 3.304 1.00 0.00 H new ATOM 434 N THR A 28 -1.948 -1.697 -1.994 1.00 0.00 N ATOM 435 CA THR A 28 -2.030 -0.528 -1.135 1.00 0.00 C ATOM 436 C THR A 28 -3.443 -0.381 -0.567 1.00 0.00 C ATOM 437 O THR A 28 -4.412 -0.293 -1.321 1.00 0.00 O ATOM 438 CB THR A 28 -1.571 0.686 -1.944 1.00 0.00 C ATOM 439 OG1 THR A 28 -0.275 0.979 -1.428 1.00 0.00 O ATOM 440 CG2 THR A 28 -2.389 1.941 -1.633 1.00 0.00 C ATOM 0 H THR A 28 -2.706 -1.783 -2.671 1.00 0.00 H new ATOM 0 HA THR A 28 -1.375 -0.627 -0.270 1.00 0.00 H new ATOM 0 HB THR A 28 -1.643 0.460 -3.008 1.00 0.00 H new ATOM 0 HG1 THR A 28 0.097 1.754 -1.899 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.022 2.773 -2.234 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.438 1.759 -1.867 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.291 2.186 -0.576 1.00 0.00 H new ATOM 448 N ILE A 29 -3.516 -0.359 0.755 1.00 0.00 N ATOM 449 CA ILE A 29 -4.795 -0.224 1.433 1.00 0.00 C ATOM 450 C ILE A 29 -4.889 1.167 2.063 1.00 0.00 C ATOM 451 O ILE A 29 -3.930 1.645 2.667 1.00 0.00 O ATOM 452 CB ILE A 29 -4.997 -1.366 2.429 1.00 0.00 C ATOM 453 CG1 ILE A 29 -4.820 -2.725 1.750 1.00 0.00 C ATOM 454 CG2 ILE A 29 -6.351 -1.249 3.131 1.00 0.00 C ATOM 455 CD1 ILE A 29 -5.000 -3.868 2.752 1.00 0.00 C ATOM 0 H ILE A 29 -2.710 -0.432 1.376 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.615 -0.307 0.720 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.228 -1.288 3.197 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.544 -2.828 0.942 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.829 -2.784 1.300 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.469 -2.074 3.834 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.401 -0.303 3.670 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.149 -1.287 2.390 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.869 -4.823 2.242 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.259 -3.776 3.546 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.000 -3.821 3.182 1.00 0.00 H new ATOM 467 N THR A 30 -6.053 1.777 1.901 1.00 0.00 N ATOM 468 CA THR A 30 -6.285 3.104 2.447 1.00 0.00 C ATOM 469 C THR A 30 -7.029 3.009 3.781 1.00 0.00 C ATOM 470 O THR A 30 -7.586 1.963 4.112 1.00 0.00 O ATOM 471 CB THR A 30 -7.031 3.926 1.393 1.00 0.00 C ATOM 472 OG1 THR A 30 -8.258 3.226 1.211 1.00 0.00 O ATOM 473 CG2 THR A 30 -6.358 3.864 0.020 1.00 0.00 C ATOM 0 H THR A 30 -6.846 1.377 1.399 1.00 0.00 H new ATOM 0 HA THR A 30 -5.345 3.610 2.669 1.00 0.00 H new ATOM 0 HB THR A 30 -7.095 4.964 1.720 1.00 0.00 H new ATOM 0 HG1 THR A 30 -8.999 3.867 1.185 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.926 4.463 -0.691 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.343 4.255 0.094 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.325 2.830 -0.322 1.00 0.00 H new ATOM 481 N GLU A 31 -7.014 4.116 4.510 1.00 0.00 N ATOM 482 CA GLU A 31 -7.680 4.170 5.801 1.00 0.00 C ATOM 483 C GLU A 31 -8.791 5.221 5.780 1.00 0.00 C ATOM 484 O GLU A 31 -9.687 5.199 6.623 1.00 0.00 O ATOM 485 CB GLU A 31 -6.679 4.453 6.923 1.00 0.00 C ATOM 486 CG GLU A 31 -6.560 3.254 7.865 1.00 0.00 C ATOM 487 CD GLU A 31 -7.525 3.385 9.045 1.00 0.00 C ATOM 488 OE1 GLU A 31 -7.362 4.364 9.805 1.00 0.00 O ATOM 489 OE2 GLU A 31 -8.404 2.504 9.159 1.00 0.00 O ATOM 0 H GLU A 31 -6.552 4.982 4.232 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.130 3.197 5.997 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.703 4.683 6.495 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.996 5.332 7.485 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.771 2.335 7.318 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.537 3.177 8.234 1.00 0.00 H new ATOM 496 N GLY A 32 -8.699 6.115 4.807 1.00 0.00 N ATOM 497 CA GLY A 32 -9.686 7.172 4.666 1.00 0.00 C ATOM 498 C GLY A 32 -11.102 6.595 4.608 1.00 0.00 C ATOM 499 O GLY A 32 -11.306 5.413 4.879 1.00 0.00 O ATOM 0 H GLY A 32 -7.956 6.129 4.108 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -9.605 7.864 5.504 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.485 7.744 3.760 1.00 0.00 H new ATOM 503 N SER A 33 -12.043 7.458 4.253 1.00 0.00 N ATOM 504 CA SER A 33 -13.435 7.049 4.158 1.00 0.00 C ATOM 505 C SER A 33 -13.595 5.992 3.063 1.00 0.00 C ATOM 506 O SER A 33 -14.649 5.370 2.946 1.00 0.00 O ATOM 507 CB SER A 33 -14.342 8.248 3.874 1.00 0.00 C ATOM 508 OG SER A 33 -15.257 8.489 4.940 1.00 0.00 O ATOM 0 H SER A 33 -11.869 8.438 4.028 1.00 0.00 H new ATOM 0 HA SER A 33 -13.733 6.620 5.115 1.00 0.00 H new ATOM 0 HB2 SER A 33 -13.730 9.136 3.714 1.00 0.00 H new ATOM 0 HB3 SER A 33 -14.897 8.073 2.952 1.00 0.00 H new ATOM 0 HG SER A 33 -15.817 9.263 4.722 1.00 0.00 H new ATOM 514 N LEU A 34 -12.532 5.821 2.290 1.00 0.00 N ATOM 515 CA LEU A 34 -12.542 4.849 1.209 1.00 0.00 C ATOM 516 C LEU A 34 -12.187 3.469 1.767 1.00 0.00 C ATOM 517 O LEU A 34 -12.887 2.491 1.505 1.00 0.00 O ATOM 518 CB LEU A 34 -11.628 5.306 0.070 1.00 0.00 C ATOM 519 CG LEU A 34 -10.976 4.194 -0.754 1.00 0.00 C ATOM 520 CD1 LEU A 34 -11.962 3.613 -1.768 1.00 0.00 C ATOM 521 CD2 LEU A 34 -9.691 4.686 -1.420 1.00 0.00 C ATOM 0 H LEU A 34 -11.659 6.339 2.391 1.00 0.00 H new ATOM 0 HA LEU A 34 -13.539 4.771 0.775 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -12.208 5.938 -0.603 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -10.839 5.929 0.491 1.00 0.00 H new ATOM 0 HG LEU A 34 -10.698 3.386 -0.077 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -11.473 2.825 -2.340 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -12.823 3.199 -1.243 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -12.294 4.400 -2.445 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -9.248 3.876 -1.999 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -9.921 5.521 -2.081 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.986 5.012 -0.655 1.00 0.00 H new ATOM 533 N ARG A 35 -11.102 3.434 2.525 1.00 0.00 N ATOM 534 CA ARG A 35 -10.645 2.190 3.121 1.00 0.00 C ATOM 535 C ARG A 35 -10.814 1.034 2.134 1.00 0.00 C ATOM 536 O ARG A 35 -11.545 0.083 2.406 1.00 0.00 O ATOM 537 CB ARG A 35 -11.422 1.876 4.402 1.00 0.00 C ATOM 538 CG ARG A 35 -10.728 0.777 5.209 1.00 0.00 C ATOM 539 CD ARG A 35 -11.059 0.898 6.697 1.00 0.00 C ATOM 540 NE ARG A 35 -11.829 -0.285 7.143 1.00 0.00 N ATOM 541 CZ ARG A 35 -12.161 -0.529 8.417 1.00 0.00 C ATOM 542 NH1 ARG A 35 -11.793 0.326 9.381 1.00 0.00 N ATOM 543 NH2 ARG A 35 -12.861 -1.629 8.729 1.00 0.00 N ATOM 0 H ARG A 35 -10.525 4.247 2.741 1.00 0.00 H new ATOM 0 HA ARG A 35 -9.590 2.309 3.368 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -11.509 2.777 5.009 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -12.435 1.562 4.150 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -11.040 -0.201 4.842 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -9.649 0.842 5.066 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -10.140 0.983 7.277 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -11.635 1.806 6.877 1.00 0.00 H new ATOM 0 HE ARG A 35 -12.125 -0.957 6.435 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -11.260 1.163 9.144 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -12.046 0.140 10.351 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -13.141 -2.280 7.996 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -13.114 -1.814 9.700 1.00 0.00 H new ATOM 557 N ALA A 36 -10.127 1.156 1.008 1.00 0.00 N ATOM 558 CA ALA A 36 -10.193 0.132 -0.022 1.00 0.00 C ATOM 559 C ALA A 36 -8.793 -0.441 -0.255 1.00 0.00 C ATOM 560 O ALA A 36 -7.793 0.216 0.034 1.00 0.00 O ATOM 561 CB ALA A 36 -10.798 0.727 -1.295 1.00 0.00 C ATOM 0 H ALA A 36 -9.523 1.947 0.786 1.00 0.00 H new ATOM 0 HA ALA A 36 -10.838 -0.689 0.293 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -10.848 -0.040 -2.067 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.802 1.094 -1.083 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -10.176 1.552 -1.642 1.00 0.00 H new ATOM 567 N VAL A 37 -8.767 -1.660 -0.773 1.00 0.00 N ATOM 568 CA VAL A 37 -7.506 -2.329 -1.048 1.00 0.00 C ATOM 569 C VAL A 37 -7.134 -2.123 -2.518 1.00 0.00 C ATOM 570 O VAL A 37 -7.961 -2.327 -3.405 1.00 0.00 O ATOM 571 CB VAL A 37 -7.601 -3.804 -0.656 1.00 0.00 C ATOM 572 CG1 VAL A 37 -7.790 -3.959 0.855 1.00 0.00 C ATOM 573 CG2 VAL A 37 -8.723 -4.505 -1.424 1.00 0.00 C ATOM 0 H VAL A 37 -9.598 -2.202 -1.010 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.705 -1.898 -0.447 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.660 -4.283 -0.927 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -7.855 -5.018 1.107 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.942 -3.513 1.375 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -8.708 -3.457 1.160 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -8.768 -5.553 -1.126 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.674 -4.022 -1.200 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -8.527 -4.440 -2.494 1.00 0.00 H new ATOM 583 N ILE A 38 -5.889 -1.723 -2.731 1.00 0.00 N ATOM 584 CA ILE A 38 -5.397 -1.487 -4.077 1.00 0.00 C ATOM 585 C ILE A 38 -4.405 -2.591 -4.453 1.00 0.00 C ATOM 586 O ILE A 38 -3.504 -2.910 -3.678 1.00 0.00 O ATOM 587 CB ILE A 38 -4.822 -0.076 -4.199 1.00 0.00 C ATOM 588 CG1 ILE A 38 -5.872 0.977 -3.836 1.00 0.00 C ATOM 589 CG2 ILE A 38 -4.232 0.158 -5.591 1.00 0.00 C ATOM 590 CD1 ILE A 38 -6.855 1.190 -4.990 1.00 0.00 C ATOM 0 H ILE A 38 -5.206 -1.556 -1.992 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.216 -1.534 -4.795 1.00 0.00 H new ATOM 0 HB ILE A 38 -4.006 0.023 -3.484 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -6.415 0.663 -2.944 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -5.380 1.919 -3.594 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -3.830 1.169 -5.650 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.434 -0.561 -5.773 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -5.012 0.033 -6.342 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -7.591 1.943 -4.707 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.312 1.527 -5.873 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -7.363 0.252 -5.213 1.00 0.00 H new ATOM 602 N PHE A 39 -4.605 -3.142 -5.641 1.00 0.00 N ATOM 603 CA PHE A 39 -3.739 -4.202 -6.129 1.00 0.00 C ATOM 604 C PHE A 39 -2.914 -3.728 -7.327 1.00 0.00 C ATOM 605 O PHE A 39 -3.467 -3.386 -8.370 1.00 0.00 O ATOM 606 CB PHE A 39 -4.646 -5.352 -6.572 1.00 0.00 C ATOM 607 CG PHE A 39 -5.169 -6.212 -5.420 1.00 0.00 C ATOM 608 CD1 PHE A 39 -4.299 -6.928 -4.657 1.00 0.00 C ATOM 609 CD2 PHE A 39 -6.503 -6.262 -5.159 1.00 0.00 C ATOM 610 CE1 PHE A 39 -4.785 -7.726 -3.588 1.00 0.00 C ATOM 611 CE2 PHE A 39 -6.987 -7.060 -4.089 1.00 0.00 C ATOM 612 CZ PHE A 39 -6.118 -7.776 -3.326 1.00 0.00 C ATOM 0 H PHE A 39 -5.354 -2.875 -6.280 1.00 0.00 H new ATOM 0 HA PHE A 39 -3.047 -4.508 -5.344 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -5.494 -4.942 -7.120 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -4.096 -5.988 -7.266 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.240 -6.889 -4.864 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -7.194 -5.695 -5.765 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -4.095 -8.294 -2.982 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -8.046 -7.098 -3.881 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.487 -8.384 -2.513 1.00 0.00 H new ATOM 622 N ILE A 40 -1.602 -3.723 -7.136 1.00 0.00 N ATOM 623 CA ILE A 40 -0.695 -3.297 -8.188 1.00 0.00 C ATOM 624 C ILE A 40 -0.140 -4.528 -8.906 1.00 0.00 C ATOM 625 O ILE A 40 0.406 -5.429 -8.272 1.00 0.00 O ATOM 626 CB ILE A 40 0.388 -2.376 -7.621 1.00 0.00 C ATOM 627 CG1 ILE A 40 -0.206 -1.387 -6.616 1.00 0.00 C ATOM 628 CG2 ILE A 40 1.147 -1.667 -8.744 1.00 0.00 C ATOM 629 CD1 ILE A 40 0.861 -0.411 -6.113 1.00 0.00 C ATOM 0 H ILE A 40 -1.146 -4.007 -6.269 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.227 -2.705 -8.933 1.00 0.00 H new ATOM 0 HB ILE A 40 1.111 -2.988 -7.081 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.020 -0.833 -7.083 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.633 -1.931 -5.773 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.911 -1.019 -8.314 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.621 -2.408 -9.388 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.451 -1.068 -9.332 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.414 0.281 -5.400 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.662 -0.967 -5.625 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.268 0.148 -6.955 1.00 0.00 H new ATOM 641 N THR A 41 -0.299 -4.527 -10.222 1.00 0.00 N ATOM 642 CA THR A 41 0.179 -5.634 -11.035 1.00 0.00 C ATOM 643 C THR A 41 1.609 -5.367 -11.509 1.00 0.00 C ATOM 644 O THR A 41 2.092 -4.238 -11.432 1.00 0.00 O ATOM 645 CB THR A 41 -0.813 -5.841 -12.181 1.00 0.00 C ATOM 646 OG1 THR A 41 -1.163 -4.520 -12.581 1.00 0.00 O ATOM 647 CG2 THR A 41 -2.135 -6.450 -11.708 1.00 0.00 C ATOM 0 H THR A 41 -0.752 -3.778 -10.745 1.00 0.00 H new ATOM 0 HA THR A 41 0.228 -6.558 -10.458 1.00 0.00 H new ATOM 0 HB THR A 41 -0.365 -6.487 -12.936 1.00 0.00 H new ATOM 0 HG1 THR A 41 -1.870 -4.177 -11.995 1.00 0.00 H new ATOM 0 HG21 THR A 41 -2.803 -6.576 -12.560 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.945 -7.420 -11.249 1.00 0.00 H new ATOM 0 HG23 THR A 41 -2.600 -5.788 -10.977 1.00 0.00 H new ATOM 655 N LYS A 42 2.245 -6.425 -11.989 1.00 0.00 N ATOM 656 CA LYS A 42 3.611 -6.320 -12.476 1.00 0.00 C ATOM 657 C LYS A 42 3.658 -5.323 -13.636 1.00 0.00 C ATOM 658 O LYS A 42 4.652 -4.620 -13.815 1.00 0.00 O ATOM 659 CB LYS A 42 4.161 -7.702 -12.831 1.00 0.00 C ATOM 660 CG LYS A 42 3.887 -8.706 -11.709 1.00 0.00 C ATOM 661 CD LYS A 42 5.183 -9.096 -10.994 1.00 0.00 C ATOM 662 CE LYS A 42 4.887 -9.820 -9.679 1.00 0.00 C ATOM 663 NZ LYS A 42 5.974 -10.770 -9.353 1.00 0.00 N ATOM 0 H LYS A 42 1.840 -7.359 -12.051 1.00 0.00 H new ATOM 0 HA LYS A 42 4.266 -5.933 -11.695 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.704 -8.052 -13.757 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.234 -7.635 -13.010 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.188 -8.275 -10.993 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.412 -9.597 -12.121 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.780 -9.739 -11.641 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.776 -8.203 -10.796 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.778 -9.093 -8.874 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.940 -10.355 -9.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.021 -10.904 -8.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.786 -11.684 -9.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.880 -10.391 -9.694 1.00 0.00 H new ATOM 677 N ARG A 43 2.572 -5.294 -14.395 1.00 0.00 N ATOM 678 CA ARG A 43 2.477 -4.395 -15.533 1.00 0.00 C ATOM 679 C ARG A 43 2.553 -2.940 -15.066 1.00 0.00 C ATOM 680 O ARG A 43 2.914 -2.055 -15.840 1.00 0.00 O ATOM 681 CB ARG A 43 1.171 -4.611 -16.297 1.00 0.00 C ATOM 682 CG ARG A 43 1.364 -4.361 -17.794 1.00 0.00 C ATOM 683 CD ARG A 43 0.465 -3.222 -18.281 1.00 0.00 C ATOM 684 NE ARG A 43 1.261 -1.986 -18.446 1.00 0.00 N ATOM 685 CZ ARG A 43 0.813 -0.881 -19.059 1.00 0.00 C ATOM 686 NH1 ARG A 43 -0.426 -0.853 -19.568 1.00 0.00 N ATOM 687 NH2 ARG A 43 1.605 0.196 -19.164 1.00 0.00 N ATOM 0 H ARG A 43 1.750 -5.879 -14.244 1.00 0.00 H new ATOM 0 HA ARG A 43 3.313 -4.611 -16.198 1.00 0.00 H new ATOM 0 HB2 ARG A 43 0.816 -5.629 -16.137 1.00 0.00 H new ATOM 0 HB3 ARG A 43 0.403 -3.942 -15.909 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.407 -4.116 -17.994 1.00 0.00 H new ATOM 0 HG3 ARG A 43 1.138 -5.271 -18.350 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.000 -3.494 -19.228 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.341 -3.053 -17.567 1.00 0.00 H new ATOM 0 HE ARG A 43 2.209 -1.974 -18.070 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -1.028 -1.672 -19.489 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -0.767 -0.012 -20.034 1.00 0.00 H new ATOM 0 HH21 ARG A 43 2.549 0.175 -18.777 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.264 1.036 -19.630 1.00 0.00 H new ATOM 701 N GLY A 44 2.207 -2.737 -13.803 1.00 0.00 N ATOM 702 CA GLY A 44 2.231 -1.405 -13.225 1.00 0.00 C ATOM 703 C GLY A 44 0.813 -0.866 -13.031 1.00 0.00 C ATOM 704 O GLY A 44 0.630 0.258 -12.563 1.00 0.00 O ATOM 0 H GLY A 44 1.908 -3.474 -13.164 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.749 -1.430 -12.266 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.794 -0.733 -13.873 1.00 0.00 H new ATOM 708 N LEU A 45 -0.155 -1.692 -13.398 1.00 0.00 N ATOM 709 CA LEU A 45 -1.552 -1.313 -13.270 1.00 0.00 C ATOM 710 C LEU A 45 -2.012 -1.557 -11.831 1.00 0.00 C ATOM 711 O LEU A 45 -1.766 -2.622 -11.269 1.00 0.00 O ATOM 712 CB LEU A 45 -2.402 -2.035 -14.317 1.00 0.00 C ATOM 713 CG LEU A 45 -3.797 -2.471 -13.865 1.00 0.00 C ATOM 714 CD1 LEU A 45 -4.506 -1.344 -13.112 1.00 0.00 C ATOM 715 CD2 LEU A 45 -4.623 -2.980 -15.047 1.00 0.00 C ATOM 0 H LEU A 45 0.000 -2.623 -13.784 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.677 -0.249 -13.470 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.510 -1.381 -15.182 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.858 -2.918 -14.651 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.686 -3.303 -13.169 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.495 -1.680 -12.802 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.923 -1.071 -12.232 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.605 -0.477 -13.765 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.610 -3.283 -14.697 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.728 -2.186 -15.786 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.121 -3.834 -15.501 1.00 0.00 H new ATOM 727 N LYS A 46 -2.672 -0.550 -11.275 1.00 0.00 N ATOM 728 CA LYS A 46 -3.168 -0.642 -9.913 1.00 0.00 C ATOM 729 C LYS A 46 -4.695 -0.541 -9.924 1.00 0.00 C ATOM 730 O LYS A 46 -5.254 0.407 -10.473 1.00 0.00 O ATOM 731 CB LYS A 46 -2.489 0.401 -9.024 1.00 0.00 C ATOM 732 CG LYS A 46 -2.828 1.820 -9.487 1.00 0.00 C ATOM 733 CD LYS A 46 -2.331 2.859 -8.478 1.00 0.00 C ATOM 734 CE LYS A 46 -0.839 2.676 -8.192 1.00 0.00 C ATOM 735 NZ LYS A 46 -0.137 3.977 -8.253 1.00 0.00 N ATOM 0 H LYS A 46 -2.874 0.333 -11.744 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.915 -1.609 -9.479 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.808 0.266 -7.990 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.409 0.256 -9.046 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.375 2.007 -10.460 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.906 1.917 -9.614 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.510 3.862 -8.865 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.896 2.770 -7.550 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.704 2.229 -7.207 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.405 1.988 -8.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.874 3.835 -8.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.251 4.389 -9.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.540 4.623 -7.544 1.00 0.00 H new ATOM 749 N VAL A 47 -5.326 -1.531 -9.309 1.00 0.00 N ATOM 750 CA VAL A 47 -6.777 -1.565 -9.240 1.00 0.00 C ATOM 751 C VAL A 47 -7.215 -1.554 -7.774 1.00 0.00 C ATOM 752 O VAL A 47 -6.452 -1.946 -6.892 1.00 0.00 O ATOM 753 CB VAL A 47 -7.308 -2.774 -10.014 1.00 0.00 C ATOM 754 CG1 VAL A 47 -7.513 -3.972 -9.085 1.00 0.00 C ATOM 755 CG2 VAL A 47 -8.602 -2.426 -10.753 1.00 0.00 C ATOM 0 H VAL A 47 -4.859 -2.315 -8.854 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.203 -0.680 -9.712 1.00 0.00 H new ATOM 0 HB VAL A 47 -6.561 -3.051 -10.758 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -7.891 -4.818 -9.660 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -6.563 -4.242 -8.624 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.232 -3.711 -8.308 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.958 -3.302 -11.295 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.358 -2.112 -10.034 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.412 -1.616 -11.457 1.00 0.00 H new ATOM 765 N CYS A 48 -8.440 -1.101 -7.560 1.00 0.00 N ATOM 766 CA CYS A 48 -8.988 -1.033 -6.215 1.00 0.00 C ATOM 767 C CYS A 48 -10.006 -2.164 -6.054 1.00 0.00 C ATOM 768 O CYS A 48 -10.715 -2.505 -7.000 1.00 0.00 O ATOM 769 CB CYS A 48 -9.606 0.336 -5.925 1.00 0.00 C ATOM 770 SG CYS A 48 -11.274 0.591 -6.633 1.00 0.00 S ATOM 0 H CYS A 48 -9.070 -0.777 -8.294 1.00 0.00 H new ATOM 0 HA CYS A 48 -8.187 -1.159 -5.486 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -9.660 0.473 -4.845 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -8.941 1.108 -6.311 1.00 0.00 H new ATOM 775 N ALA A 49 -10.046 -2.713 -4.849 1.00 0.00 N ATOM 776 CA ALA A 49 -10.965 -3.799 -4.552 1.00 0.00 C ATOM 777 C ALA A 49 -11.446 -3.672 -3.106 1.00 0.00 C ATOM 778 O ALA A 49 -10.759 -3.090 -2.268 1.00 0.00 O ATOM 779 CB ALA A 49 -10.277 -5.139 -4.823 1.00 0.00 C ATOM 0 H ALA A 49 -9.457 -2.426 -4.067 1.00 0.00 H new ATOM 0 HA ALA A 49 -11.842 -3.747 -5.197 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -10.966 -5.954 -4.600 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -9.981 -5.191 -5.871 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.393 -5.229 -4.191 1.00 0.00 H new ATOM 785 N ASP A 50 -12.623 -4.227 -2.856 1.00 0.00 N ATOM 786 CA ASP A 50 -13.205 -4.183 -1.526 1.00 0.00 C ATOM 787 C ASP A 50 -12.598 -5.298 -0.671 1.00 0.00 C ATOM 788 O ASP A 50 -12.454 -6.429 -1.131 1.00 0.00 O ATOM 789 CB ASP A 50 -14.719 -4.400 -1.579 1.00 0.00 C ATOM 790 CG ASP A 50 -15.557 -3.123 -1.499 1.00 0.00 C ATOM 791 OD1 ASP A 50 -15.350 -2.367 -0.525 1.00 0.00 O ATOM 792 OD2 ASP A 50 -16.388 -2.931 -2.414 1.00 0.00 O ATOM 0 H ASP A 50 -13.190 -4.710 -3.553 1.00 0.00 H new ATOM 0 HA ASP A 50 -12.996 -3.202 -1.099 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -14.964 -4.920 -2.505 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -15.006 -5.057 -0.758 1.00 0.00 H new ATOM 797 N PRO A 51 -12.247 -4.930 0.590 1.00 0.00 N ATOM 798 CA PRO A 51 -11.659 -5.885 1.513 1.00 0.00 C ATOM 799 C PRO A 51 -12.717 -6.851 2.051 1.00 0.00 C ATOM 800 O PRO A 51 -12.418 -7.700 2.889 1.00 0.00 O ATOM 801 CB PRO A 51 -11.020 -5.039 2.600 1.00 0.00 C ATOM 802 CG PRO A 51 -11.668 -3.668 2.498 1.00 0.00 C ATOM 803 CD PRO A 51 -12.403 -3.599 1.170 1.00 0.00 C ATOM 0 HA PRO A 51 -10.917 -6.526 1.038 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.186 -5.477 3.584 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -9.941 -4.972 2.459 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -12.359 -3.510 3.326 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -10.914 -2.884 2.558 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -13.455 -3.350 1.312 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -11.978 -2.832 0.522 1.00 0.00 H new ATOM 811 N GLN A 52 -13.932 -6.688 1.547 1.00 0.00 N ATOM 812 CA GLN A 52 -15.036 -7.535 1.966 1.00 0.00 C ATOM 813 C GLN A 52 -14.999 -8.867 1.214 1.00 0.00 C ATOM 814 O GLN A 52 -15.715 -9.802 1.565 1.00 0.00 O ATOM 815 CB GLN A 52 -16.377 -6.827 1.764 1.00 0.00 C ATOM 816 CG GLN A 52 -17.407 -7.300 2.792 1.00 0.00 C ATOM 817 CD GLN A 52 -17.696 -6.206 3.822 1.00 0.00 C ATOM 818 OE1 GLN A 52 -17.008 -5.202 3.908 1.00 0.00 O ATOM 819 NE2 GLN A 52 -18.749 -6.455 4.595 1.00 0.00 N ATOM 0 H GLN A 52 -14.176 -5.982 0.852 1.00 0.00 H new ATOM 0 HA GLN A 52 -14.928 -7.740 3.031 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -16.240 -5.749 1.851 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -16.747 -7.021 0.757 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -18.330 -7.580 2.285 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -17.038 -8.192 3.298 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -19.282 -7.316 4.470 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -19.024 -5.785 5.313 1.00 0.00 H new ATOM 828 N ALA A 53 -14.156 -8.909 0.192 1.00 0.00 N ATOM 829 CA ALA A 53 -14.016 -10.111 -0.612 1.00 0.00 C ATOM 830 C ALA A 53 -12.998 -11.044 0.044 1.00 0.00 C ATOM 831 O ALA A 53 -11.923 -10.607 0.453 1.00 0.00 O ATOM 832 CB ALA A 53 -13.620 -9.727 -2.039 1.00 0.00 C ATOM 0 H ALA A 53 -13.564 -8.131 -0.097 1.00 0.00 H new ATOM 0 HA ALA A 53 -14.964 -10.646 -0.669 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -13.515 -10.629 -2.643 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -14.391 -9.089 -2.471 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -12.672 -9.190 -2.021 1.00 0.00 H new ATOM 838 N THR A 54 -13.371 -12.313 0.126 1.00 0.00 N ATOM 839 CA THR A 54 -12.503 -13.312 0.726 1.00 0.00 C ATOM 840 C THR A 54 -11.291 -13.573 -0.170 1.00 0.00 C ATOM 841 O THR A 54 -10.171 -13.713 0.319 1.00 0.00 O ATOM 842 CB THR A 54 -13.340 -14.563 0.997 1.00 0.00 C ATOM 843 OG1 THR A 54 -14.023 -14.268 2.212 1.00 0.00 O ATOM 844 CG2 THR A 54 -12.479 -15.781 1.340 1.00 0.00 C ATOM 0 H THR A 54 -14.263 -12.672 -0.213 1.00 0.00 H new ATOM 0 HA THR A 54 -12.096 -12.964 1.675 1.00 0.00 H new ATOM 0 HB THR A 54 -13.952 -14.786 0.123 1.00 0.00 H new ATOM 0 HG1 THR A 54 -14.591 -15.027 2.461 1.00 0.00 H new ATOM 0 HG21 THR A 54 -13.122 -16.641 1.523 1.00 0.00 H new ATOM 0 HG22 THR A 54 -11.809 -15.999 0.508 1.00 0.00 H new ATOM 0 HG23 THR A 54 -11.891 -15.571 2.233 1.00 0.00 H new ATOM 852 N TRP A 55 -11.556 -13.630 -1.468 1.00 0.00 N ATOM 853 CA TRP A 55 -10.502 -13.872 -2.437 1.00 0.00 C ATOM 854 C TRP A 55 -9.478 -12.741 -2.315 1.00 0.00 C ATOM 855 O TRP A 55 -8.274 -12.988 -2.304 1.00 0.00 O ATOM 856 CB TRP A 55 -11.075 -14.010 -3.849 1.00 0.00 C ATOM 857 CG TRP A 55 -11.222 -12.681 -4.593 1.00 0.00 C ATOM 858 CD1 TRP A 55 -12.336 -11.958 -4.776 1.00 0.00 C ATOM 859 CD2 TRP A 55 -10.171 -11.941 -5.248 1.00 0.00 C ATOM 860 NE1 TRP A 55 -12.080 -10.811 -5.500 1.00 0.00 N ATOM 861 CE2 TRP A 55 -10.721 -10.801 -5.797 1.00 0.00 C ATOM 862 CE3 TRP A 55 -8.800 -12.227 -5.375 1.00 0.00 C ATOM 863 CZ2 TRP A 55 -9.974 -9.855 -6.509 1.00 0.00 C ATOM 864 CZ3 TRP A 55 -8.067 -11.271 -6.089 1.00 0.00 C ATOM 865 CH2 TRP A 55 -8.606 -10.118 -6.647 1.00 0.00 C ATOM 0 H TRP A 55 -12.486 -13.513 -1.870 1.00 0.00 H new ATOM 0 HA TRP A 55 -10.001 -14.818 -2.233 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -10.430 -14.670 -4.429 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -12.051 -14.491 -3.789 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -13.311 -12.238 -4.404 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -12.762 -10.101 -5.768 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -8.348 -13.114 -4.955 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -10.429 -8.970 -6.929 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -7.008 -11.442 -6.215 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -7.972 -9.428 -7.185 1.00 0.00 H new ATOM 876 N VAL A 56 -9.996 -11.525 -2.226 1.00 0.00 N ATOM 877 CA VAL A 56 -9.143 -10.355 -2.105 1.00 0.00 C ATOM 878 C VAL A 56 -8.245 -10.509 -0.875 1.00 0.00 C ATOM 879 O VAL A 56 -7.035 -10.303 -0.956 1.00 0.00 O ATOM 880 CB VAL A 56 -9.997 -9.086 -2.066 1.00 0.00 C ATOM 881 CG1 VAL A 56 -9.224 -7.924 -1.441 1.00 0.00 C ATOM 882 CG2 VAL A 56 -10.499 -8.720 -3.465 1.00 0.00 C ATOM 0 H VAL A 56 -10.996 -11.325 -2.235 1.00 0.00 H new ATOM 0 HA VAL A 56 -8.492 -10.266 -2.975 1.00 0.00 H new ATOM 0 HB VAL A 56 -10.866 -9.286 -1.439 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.854 -7.035 -1.426 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -8.938 -8.184 -0.422 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -8.329 -7.724 -2.030 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -11.103 -7.815 -3.409 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -9.648 -8.548 -4.124 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -11.104 -9.536 -3.860 1.00 0.00 H new ATOM 892 N ARG A 57 -8.872 -10.870 0.235 1.00 0.00 N ATOM 893 CA ARG A 57 -8.146 -11.054 1.479 1.00 0.00 C ATOM 894 C ARG A 57 -7.210 -12.259 1.374 1.00 0.00 C ATOM 895 O ARG A 57 -6.135 -12.269 1.971 1.00 0.00 O ATOM 896 CB ARG A 57 -9.106 -11.263 2.651 1.00 0.00 C ATOM 897 CG ARG A 57 -9.073 -10.067 3.607 1.00 0.00 C ATOM 898 CD ARG A 57 -10.362 -9.984 4.426 1.00 0.00 C ATOM 899 NE ARG A 57 -10.063 -9.511 5.795 1.00 0.00 N ATOM 900 CZ ARG A 57 -10.958 -9.478 6.792 1.00 0.00 C ATOM 901 NH1 ARG A 57 -12.214 -9.892 6.577 1.00 0.00 N ATOM 902 NH2 ARG A 57 -10.597 -9.032 8.003 1.00 0.00 N ATOM 0 H ARG A 57 -9.876 -11.040 0.298 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.562 -10.151 1.659 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -10.119 -11.405 2.275 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.836 -12.171 3.190 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.218 -10.156 4.277 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.939 -9.146 3.039 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -11.066 -9.306 3.944 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.840 -10.963 4.467 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.115 -9.189 5.993 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -12.488 -10.232 5.655 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -12.896 -9.867 7.335 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -9.641 -8.717 8.166 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -11.279 -9.007 8.761 1.00 0.00 H new ATOM 916 N ASP A 58 -7.653 -13.247 0.611 1.00 0.00 N ATOM 917 CA ASP A 58 -6.869 -14.456 0.420 1.00 0.00 C ATOM 918 C ASP A 58 -5.578 -14.108 -0.326 1.00 0.00 C ATOM 919 O ASP A 58 -4.495 -14.538 0.067 1.00 0.00 O ATOM 920 CB ASP A 58 -7.635 -15.483 -0.415 1.00 0.00 C ATOM 921 CG ASP A 58 -7.297 -16.945 -0.112 1.00 0.00 C ATOM 922 OD1 ASP A 58 -6.481 -17.158 0.812 1.00 0.00 O ATOM 923 OD2 ASP A 58 -7.862 -17.814 -0.808 1.00 0.00 O ATOM 0 H ASP A 58 -8.545 -13.235 0.117 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.654 -14.878 1.402 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.703 -15.333 -0.258 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.438 -15.291 -1.470 1.00 0.00 H new ATOM 928 N VAL A 59 -5.737 -13.333 -1.389 1.00 0.00 N ATOM 929 CA VAL A 59 -4.598 -12.923 -2.192 1.00 0.00 C ATOM 930 C VAL A 59 -3.747 -11.933 -1.395 1.00 0.00 C ATOM 931 O VAL A 59 -2.519 -11.950 -1.486 1.00 0.00 O ATOM 932 CB VAL A 59 -5.078 -12.356 -3.530 1.00 0.00 C ATOM 933 CG1 VAL A 59 -5.876 -13.401 -4.313 1.00 0.00 C ATOM 934 CG2 VAL A 59 -5.899 -11.082 -3.322 1.00 0.00 C ATOM 0 H VAL A 59 -6.637 -12.978 -1.712 1.00 0.00 H new ATOM 0 HA VAL A 59 -3.967 -13.781 -2.425 1.00 0.00 H new ATOM 0 HB VAL A 59 -4.199 -12.095 -4.119 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.206 -12.973 -5.260 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -5.246 -14.269 -4.507 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.745 -13.706 -3.731 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.228 -10.699 -4.288 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.769 -11.307 -2.705 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -5.286 -10.331 -2.824 1.00 0.00 H new ATOM 944 N VAL A 60 -4.431 -11.095 -0.631 1.00 0.00 N ATOM 945 CA VAL A 60 -3.753 -10.099 0.182 1.00 0.00 C ATOM 946 C VAL A 60 -2.804 -10.803 1.156 1.00 0.00 C ATOM 947 O VAL A 60 -1.689 -10.337 1.388 1.00 0.00 O ATOM 948 CB VAL A 60 -4.780 -9.210 0.885 1.00 0.00 C ATOM 949 CG1 VAL A 60 -4.231 -8.686 2.214 1.00 0.00 C ATOM 950 CG2 VAL A 60 -5.218 -8.057 -0.020 1.00 0.00 C ATOM 0 H VAL A 60 -5.448 -11.085 -0.557 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.149 -9.442 -0.443 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.659 -9.818 1.101 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.980 -8.057 2.694 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.992 -9.526 2.865 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.330 -8.101 2.030 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.948 -7.440 0.504 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.351 -7.450 -0.281 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.667 -8.458 -0.929 1.00 0.00 H new ATOM 960 N ARG A 61 -3.281 -11.913 1.699 1.00 0.00 N ATOM 961 CA ARG A 61 -2.490 -12.684 2.642 1.00 0.00 C ATOM 962 C ARG A 61 -1.183 -13.139 1.991 1.00 0.00 C ATOM 963 O ARG A 61 -0.111 -13.006 2.581 1.00 0.00 O ATOM 964 CB ARG A 61 -3.261 -13.912 3.133 1.00 0.00 C ATOM 965 CG ARG A 61 -2.780 -14.342 4.520 1.00 0.00 C ATOM 966 CD ARG A 61 -1.429 -15.055 4.435 1.00 0.00 C ATOM 967 NE ARG A 61 -1.459 -16.295 5.243 1.00 0.00 N ATOM 968 CZ ARG A 61 -2.257 -17.339 4.986 1.00 0.00 C ATOM 969 NH1 ARG A 61 -3.097 -17.301 3.943 1.00 0.00 N ATOM 970 NH2 ARG A 61 -2.217 -18.424 5.774 1.00 0.00 N ATOM 0 H ARG A 61 -4.206 -12.297 1.504 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.271 -12.041 3.495 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -4.327 -13.687 3.167 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.131 -14.733 2.428 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.694 -13.468 5.166 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.517 -15.004 4.975 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.199 -15.293 3.397 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.638 -14.397 4.794 1.00 0.00 H new ATOM 0 HE ARG A 61 -0.833 -16.358 6.046 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.129 -16.476 3.344 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.704 -18.097 3.748 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.579 -18.454 6.569 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.825 -19.219 5.578 1.00 0.00 H new ATOM 984 N SER A 62 -1.312 -13.665 0.782 1.00 0.00 N ATOM 985 CA SER A 62 -0.154 -14.140 0.044 1.00 0.00 C ATOM 986 C SER A 62 0.662 -12.953 -0.470 1.00 0.00 C ATOM 987 O SER A 62 1.892 -12.986 -0.454 1.00 0.00 O ATOM 988 CB SER A 62 -0.573 -15.040 -1.120 1.00 0.00 C ATOM 989 OG SER A 62 0.397 -16.048 -1.393 1.00 0.00 O ATOM 0 H SER A 62 -2.202 -13.773 0.295 1.00 0.00 H new ATOM 0 HA SER A 62 0.463 -14.731 0.721 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.529 -15.510 -0.889 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.724 -14.432 -2.012 1.00 0.00 H new ATOM 0 HG SER A 62 0.091 -16.602 -2.141 1.00 0.00 H new ATOM 995 N MET A 63 -0.056 -11.930 -0.914 1.00 0.00 N ATOM 996 CA MET A 63 0.587 -10.735 -1.432 1.00 0.00 C ATOM 997 C MET A 63 1.788 -10.341 -0.570 1.00 0.00 C ATOM 998 O MET A 63 2.827 -9.939 -1.093 1.00 0.00 O ATOM 999 CB MET A 63 -0.422 -9.585 -1.459 1.00 0.00 C ATOM 1000 CG MET A 63 -1.251 -9.612 -2.745 1.00 0.00 C ATOM 1001 SD MET A 63 -1.102 -8.053 -3.600 1.00 0.00 S ATOM 1002 CE MET A 63 0.647 -8.059 -3.956 1.00 0.00 C ATOM 0 H MET A 63 -1.076 -11.905 -0.925 1.00 0.00 H new ATOM 0 HA MET A 63 0.942 -10.943 -2.441 1.00 0.00 H new ATOM 0 HB2 MET A 63 -1.083 -9.656 -0.595 1.00 0.00 H new ATOM 0 HB3 MET A 63 0.104 -8.633 -1.381 1.00 0.00 H new ATOM 0 HG2 MET A 63 -0.912 -10.423 -3.389 1.00 0.00 H new ATOM 0 HG3 MET A 63 -2.297 -9.808 -2.509 1.00 0.00 H new ATOM 0 HE1 MET A 63 0.850 -7.391 -4.793 1.00 0.00 H new ATOM 0 HE2 MET A 63 1.198 -7.719 -3.079 1.00 0.00 H new ATOM 0 HE3 MET A 63 0.962 -9.070 -4.213 1.00 0.00 H new ATOM 1012 N ASP A 64 1.606 -10.467 0.737 1.00 0.00 N ATOM 1013 CA ASP A 64 2.661 -10.129 1.675 1.00 0.00 C ATOM 1014 C ASP A 64 3.903 -10.967 1.364 1.00 0.00 C ATOM 1015 O ASP A 64 5.016 -10.446 1.334 1.00 0.00 O ATOM 1016 CB ASP A 64 2.236 -10.431 3.115 1.00 0.00 C ATOM 1017 CG ASP A 64 2.881 -9.542 4.179 1.00 0.00 C ATOM 1018 OD1 ASP A 64 2.933 -8.316 3.940 1.00 0.00 O ATOM 1019 OD2 ASP A 64 3.309 -10.109 5.208 1.00 0.00 O ATOM 0 H ASP A 64 0.743 -10.799 1.167 1.00 0.00 H new ATOM 0 HA ASP A 64 2.871 -9.064 1.576 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.153 -10.331 3.187 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.475 -11.471 3.338 1.00 0.00 H new ATOM 1024 N ARG A 65 3.670 -12.252 1.142 1.00 0.00 N ATOM 1025 CA ARG A 65 4.755 -13.167 0.833 1.00 0.00 C ATOM 1026 C ARG A 65 5.316 -12.876 -0.560 1.00 0.00 C ATOM 1027 O ARG A 65 6.526 -12.930 -0.770 1.00 0.00 O ATOM 1028 CB ARG A 65 4.283 -14.621 0.893 1.00 0.00 C ATOM 1029 CG ARG A 65 3.971 -15.038 2.331 1.00 0.00 C ATOM 1030 CD ARG A 65 4.954 -16.105 2.817 1.00 0.00 C ATOM 1031 NE ARG A 65 5.870 -15.527 3.826 1.00 0.00 N ATOM 1032 CZ ARG A 65 6.971 -16.140 4.280 1.00 0.00 C ATOM 1033 NH1 ARG A 65 7.301 -17.352 3.817 1.00 0.00 N ATOM 1034 NH2 ARG A 65 7.743 -15.539 5.196 1.00 0.00 N ATOM 0 H ARG A 65 2.745 -12.681 1.170 1.00 0.00 H new ATOM 0 HA ARG A 65 5.535 -13.019 1.579 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.394 -14.744 0.274 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.052 -15.274 0.480 1.00 0.00 H new ATOM 0 HG2 ARG A 65 4.021 -14.167 2.985 1.00 0.00 H new ATOM 0 HG3 ARG A 65 2.953 -15.423 2.389 1.00 0.00 H new ATOM 0 HD2 ARG A 65 4.409 -16.945 3.248 1.00 0.00 H new ATOM 0 HD3 ARG A 65 5.526 -16.495 1.975 1.00 0.00 H new ATOM 0 HE ARG A 65 5.649 -14.604 4.199 1.00 0.00 H new ATOM 0 HH11 ARG A 65 6.714 -17.808 3.119 1.00 0.00 H new ATOM 0 HH12 ARG A 65 8.139 -17.819 4.163 1.00 0.00 H new ATOM 0 HH21 ARG A 65 7.492 -14.615 5.547 1.00 0.00 H new ATOM 0 HH22 ARG A 65 8.581 -16.006 5.542 1.00 0.00 H new ATOM 1048 N LYS A 66 4.408 -12.574 -1.477 1.00 0.00 N ATOM 1049 CA LYS A 66 4.796 -12.275 -2.845 1.00 0.00 C ATOM 1050 C LYS A 66 5.615 -10.981 -2.867 1.00 0.00 C ATOM 1051 O LYS A 66 6.550 -10.848 -3.654 1.00 0.00 O ATOM 1052 CB LYS A 66 3.568 -12.240 -3.756 1.00 0.00 C ATOM 1053 CG LYS A 66 3.364 -13.587 -4.453 1.00 0.00 C ATOM 1054 CD LYS A 66 3.527 -13.450 -5.968 1.00 0.00 C ATOM 1055 CE LYS A 66 4.957 -13.046 -6.330 1.00 0.00 C ATOM 1056 NZ LYS A 66 5.796 -14.245 -6.550 1.00 0.00 N ATOM 0 H LYS A 66 3.405 -12.530 -1.299 1.00 0.00 H new ATOM 0 HA LYS A 66 5.435 -13.065 -3.240 1.00 0.00 H new ATOM 0 HB2 LYS A 66 2.683 -11.992 -3.170 1.00 0.00 H new ATOM 0 HB3 LYS A 66 3.687 -11.455 -4.502 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.083 -14.311 -4.070 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.371 -13.972 -4.224 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.279 -14.395 -6.451 1.00 0.00 H new ATOM 0 HD3 LYS A 66 2.828 -12.705 -6.347 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.950 -12.430 -7.229 1.00 0.00 H new ATOM 0 HE3 LYS A 66 5.383 -12.439 -5.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.763 -13.952 -6.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.817 -14.818 -5.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.398 -14.809 -7.328 1.00 0.00 H new ATOM 1070 N SER A 67 5.232 -10.062 -1.992 1.00 0.00 N ATOM 1071 CA SER A 67 5.917 -8.784 -1.902 1.00 0.00 C ATOM 1072 C SER A 67 6.414 -8.559 -0.472 1.00 0.00 C ATOM 1073 O SER A 67 6.225 -7.482 0.092 1.00 0.00 O ATOM 1074 CB SER A 67 5.003 -7.637 -2.334 1.00 0.00 C ATOM 1075 OG SER A 67 5.657 -6.373 -2.250 1.00 0.00 O ATOM 0 H SER A 67 4.456 -10.177 -1.340 1.00 0.00 H new ATOM 0 HA SER A 67 6.771 -8.804 -2.579 1.00 0.00 H new ATOM 0 HB2 SER A 67 4.669 -7.805 -3.358 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.112 -7.627 -1.706 1.00 0.00 H new ATOM 0 HG SER A 67 5.953 -6.219 -1.329 1.00 0.00 H new ATOM 1316 N GLN A 83 14.955 1.437 32.998 1.00 0.00 N ATOM 1317 CA GLN A 83 15.418 2.075 34.219 1.00 0.00 C ATOM 1318 C GLN A 83 15.278 1.117 35.403 1.00 0.00 C ATOM 1319 O GLN A 83 14.477 0.184 35.360 1.00 0.00 O ATOM 1320 CB GLN A 83 14.665 3.381 34.476 1.00 0.00 C ATOM 1321 CG GLN A 83 15.564 4.405 35.172 1.00 0.00 C ATOM 1322 CD GLN A 83 15.513 5.755 34.455 1.00 0.00 C ATOM 1323 OE1 GLN A 83 15.217 5.850 33.275 1.00 0.00 O ATOM 1324 NE2 GLN A 83 15.820 6.791 35.230 1.00 0.00 N ATOM 0 HA GLN A 83 16.473 2.322 34.100 1.00 0.00 H new ATOM 0 HB2 GLN A 83 14.306 3.790 33.531 1.00 0.00 H new ATOM 0 HB3 GLN A 83 13.788 3.184 35.092 1.00 0.00 H new ATOM 0 HG2 GLN A 83 15.248 4.527 36.208 1.00 0.00 H new ATOM 0 HG3 GLN A 83 16.590 4.039 35.193 1.00 0.00 H new ATOM 0 HE21 GLN A 83 16.059 6.641 36.210 1.00 0.00 H new ATOM 0 HE22 GLN A 83 15.817 7.735 34.844 1.00 0.00 H new ATOM 1333 N SER A 84 16.067 1.381 36.434 1.00 0.00 N ATOM 1334 CA SER A 84 16.040 0.555 37.629 1.00 0.00 C ATOM 1335 C SER A 84 16.121 1.436 38.877 1.00 0.00 C ATOM 1336 O SER A 84 16.727 2.506 38.847 1.00 0.00 O ATOM 1337 CB SER A 84 17.183 -0.461 37.621 1.00 0.00 C ATOM 1338 OG SER A 84 16.898 -1.593 38.441 1.00 0.00 O ATOM 0 H SER A 84 16.729 2.156 36.466 1.00 0.00 H new ATOM 0 HA SER A 84 15.100 0.004 37.643 1.00 0.00 H new ATOM 0 HB2 SER A 84 17.367 -0.791 36.599 1.00 0.00 H new ATOM 0 HB3 SER A 84 18.097 0.019 37.971 1.00 0.00 H new ATOM 0 HG SER A 84 17.651 -2.219 38.408 1.00 0.00 H new ATOM 1344 N THR A 85 15.503 0.953 39.945 1.00 0.00 N ATOM 1345 CA THR A 85 15.498 1.684 41.201 1.00 0.00 C ATOM 1346 C THR A 85 16.711 1.296 42.048 1.00 0.00 C ATOM 1347 O THR A 85 17.517 0.462 41.638 1.00 0.00 O ATOM 1348 CB THR A 85 14.160 1.420 41.896 1.00 0.00 C ATOM 1349 OG1 THR A 85 14.105 0.000 42.013 1.00 0.00 O ATOM 1350 CG2 THR A 85 12.962 1.769 41.012 1.00 0.00 C ATOM 0 H THR A 85 15.002 0.065 39.966 1.00 0.00 H new ATOM 0 HA THR A 85 15.588 2.758 41.035 1.00 0.00 H new ATOM 0 HB THR A 85 14.109 1.998 42.819 1.00 0.00 H new ATOM 0 HG1 THR A 85 13.270 -0.260 42.455 1.00 0.00 H new ATOM 0 HG21 THR A 85 12.038 1.563 41.553 1.00 0.00 H new ATOM 0 HG22 THR A 85 13.000 2.826 40.748 1.00 0.00 H new ATOM 0 HG23 THR A 85 12.992 1.167 40.104 1.00 0.00 H new ATOM 1358 N ASN A 86 16.801 1.918 43.214 1.00 0.00 N ATOM 1359 CA ASN A 86 17.903 1.648 44.123 1.00 0.00 C ATOM 1360 C ASN A 86 17.518 2.103 45.532 1.00 0.00 C ATOM 1361 O ASN A 86 16.593 2.895 45.702 1.00 0.00 O ATOM 1362 CB ASN A 86 19.162 2.411 43.706 1.00 0.00 C ATOM 1363 CG ASN A 86 20.376 1.482 43.657 1.00 0.00 C ATOM 1364 OD1 ASN A 86 20.278 0.279 43.845 1.00 0.00 O ATOM 1365 ND2 ASN A 86 21.522 2.102 43.394 1.00 0.00 N ATOM 0 H ASN A 86 16.129 2.608 43.551 1.00 0.00 H new ATOM 0 HA ASN A 86 18.107 0.578 44.098 1.00 0.00 H new ATOM 0 HB2 ASN A 86 19.008 2.866 42.727 1.00 0.00 H new ATOM 0 HB3 ASN A 86 19.349 3.223 44.409 1.00 0.00 H new ATOM 0 HD21 ASN A 86 22.390 1.568 43.339 1.00 0.00 H new ATOM 0 HD22 ASN A 86 21.534 3.111 43.247 1.00 0.00 H new ATOM 1372 N THR A 87 18.249 1.584 46.508 1.00 0.00 N ATOM 1373 CA THR A 87 17.996 1.928 47.897 1.00 0.00 C ATOM 1374 C THR A 87 19.309 1.966 48.683 1.00 0.00 C ATOM 1375 O THR A 87 20.346 1.529 48.188 1.00 0.00 O ATOM 1376 CB THR A 87 16.982 0.927 48.454 1.00 0.00 C ATOM 1377 OG1 THR A 87 17.611 -0.340 48.278 1.00 0.00 O ATOM 1378 CG2 THR A 87 15.718 0.838 47.599 1.00 0.00 C ATOM 0 H THR A 87 19.017 0.928 46.364 1.00 0.00 H new ATOM 0 HA THR A 87 17.570 2.927 47.987 1.00 0.00 H new ATOM 0 HB THR A 87 16.713 1.211 49.471 1.00 0.00 H new ATOM 0 HG1 THR A 87 17.022 -1.047 48.615 1.00 0.00 H new ATOM 0 HG21 THR A 87 15.032 0.114 48.038 1.00 0.00 H new ATOM 0 HG22 THR A 87 15.237 1.815 47.558 1.00 0.00 H new ATOM 0 HG23 THR A 87 15.983 0.521 46.590 1.00 0.00 H new ATOM 1386 N ALA A 88 19.219 2.491 49.896 1.00 0.00 N ATOM 1387 CA ALA A 88 20.386 2.592 50.756 1.00 0.00 C ATOM 1388 C ALA A 88 19.958 3.117 52.128 1.00 0.00 C ATOM 1389 O ALA A 88 19.608 4.289 52.267 1.00 0.00 O ATOM 1390 CB ALA A 88 21.435 3.485 50.091 1.00 0.00 C ATOM 0 H ALA A 88 18.356 2.851 50.304 1.00 0.00 H new ATOM 0 HA ALA A 88 20.840 1.612 50.904 1.00 0.00 H new ATOM 0 HB1 ALA A 88 22.310 3.561 50.736 1.00 0.00 H new ATOM 0 HB2 ALA A 88 21.726 3.053 49.134 1.00 0.00 H new ATOM 0 HB3 ALA A 88 21.017 4.478 49.929 1.00 0.00 H new ATOM 1396 N VAL A 89 20.001 2.225 53.108 1.00 0.00 N ATOM 1397 CA VAL A 89 19.622 2.585 54.463 1.00 0.00 C ATOM 1398 C VAL A 89 20.304 1.633 55.448 1.00 0.00 C ATOM 1399 O VAL A 89 20.074 0.425 55.408 1.00 0.00 O ATOM 1400 CB VAL A 89 18.098 2.592 54.597 1.00 0.00 C ATOM 1401 CG1 VAL A 89 17.530 1.177 54.479 1.00 0.00 C ATOM 1402 CG2 VAL A 89 17.666 3.249 55.910 1.00 0.00 C ATOM 0 H VAL A 89 20.292 1.255 52.990 1.00 0.00 H new ATOM 0 HA VAL A 89 19.960 3.594 54.698 1.00 0.00 H new ATOM 0 HB VAL A 89 17.693 3.184 53.777 1.00 0.00 H new ATOM 0 HG11 VAL A 89 16.445 1.211 54.578 1.00 0.00 H new ATOM 0 HG12 VAL A 89 17.793 0.759 53.507 1.00 0.00 H new ATOM 0 HG13 VAL A 89 17.947 0.551 55.268 1.00 0.00 H new ATOM 0 HG21 VAL A 89 16.578 3.241 55.980 1.00 0.00 H new ATOM 0 HG22 VAL A 89 18.088 2.696 56.749 1.00 0.00 H new ATOM 0 HG23 VAL A 89 18.024 4.278 55.937 1.00 0.00 H new ATOM 1412 N THR A 90 21.127 2.212 56.308 1.00 0.00 N ATOM 1413 CA THR A 90 21.845 1.429 57.301 1.00 0.00 C ATOM 1414 C THR A 90 21.133 1.504 58.654 1.00 0.00 C ATOM 1415 O THR A 90 20.279 2.364 58.864 1.00 0.00 O ATOM 1416 CB THR A 90 23.289 1.931 57.346 1.00 0.00 C ATOM 1417 OG1 THR A 90 23.962 0.979 58.166 1.00 0.00 O ATOM 1418 CG2 THR A 90 23.428 3.247 58.114 1.00 0.00 C ATOM 0 H THR A 90 21.314 3.214 56.339 1.00 0.00 H new ATOM 0 HA THR A 90 21.862 0.372 57.035 1.00 0.00 H new ATOM 0 HB THR A 90 23.659 2.063 56.329 1.00 0.00 H new ATOM 0 HG1 THR A 90 24.907 1.227 58.247 1.00 0.00 H new ATOM 0 HG21 THR A 90 24.472 3.559 58.116 1.00 0.00 H new ATOM 0 HG22 THR A 90 22.821 4.014 57.634 1.00 0.00 H new ATOM 0 HG23 THR A 90 23.090 3.107 59.141 1.00 0.00 H new ATOM 1426 N LEU A 91 21.511 0.590 59.537 1.00 0.00 N ATOM 1427 CA LEU A 91 20.920 0.542 60.863 1.00 0.00 C ATOM 1428 C LEU A 91 21.167 1.873 61.576 1.00 0.00 C ATOM 1429 O LEU A 91 21.788 2.776 61.017 1.00 0.00 O ATOM 1430 CB LEU A 91 21.435 -0.674 61.635 1.00 0.00 C ATOM 1431 CG LEU A 91 22.596 -0.414 62.598 1.00 0.00 C ATOM 1432 CD1 LEU A 91 22.686 -1.515 63.657 1.00 0.00 C ATOM 1433 CD2 LEU A 91 23.912 -0.240 61.838 1.00 0.00 C ATOM 0 H LEU A 91 22.219 -0.122 59.359 1.00 0.00 H new ATOM 0 HA LEU A 91 19.840 0.413 60.794 1.00 0.00 H new ATOM 0 HB2 LEU A 91 20.606 -1.097 62.202 1.00 0.00 H new ATOM 0 HB3 LEU A 91 21.748 -1.431 60.916 1.00 0.00 H new ATOM 0 HG LEU A 91 22.402 0.522 63.122 1.00 0.00 H new ATOM 0 HD11 LEU A 91 23.519 -1.307 64.329 1.00 0.00 H new ATOM 0 HD12 LEU A 91 21.758 -1.547 64.228 1.00 0.00 H new ATOM 0 HD13 LEU A 91 22.845 -2.477 63.169 1.00 0.00 H new ATOM 0 HD21 LEU A 91 24.720 -0.057 62.546 1.00 0.00 H new ATOM 0 HD22 LEU A 91 24.126 -1.145 61.270 1.00 0.00 H new ATOM 0 HD23 LEU A 91 23.829 0.606 61.156 1.00 0.00 H new ATOM 1445 N THR A 92 20.666 1.954 62.800 1.00 0.00 N ATOM 1446 CA THR A 92 20.825 3.160 63.595 1.00 0.00 C ATOM 1447 C THR A 92 20.363 4.385 62.804 1.00 0.00 C ATOM 1448 O THR A 92 20.115 4.295 61.603 1.00 0.00 O ATOM 1449 CB THR A 92 22.285 3.242 64.043 1.00 0.00 C ATOM 1450 OG1 THR A 92 22.312 4.349 64.939 1.00 0.00 O ATOM 1451 CG2 THR A 92 23.224 3.659 62.909 1.00 0.00 C ATOM 0 H THR A 92 20.150 1.204 63.260 1.00 0.00 H new ATOM 0 HA THR A 92 20.198 3.132 64.486 1.00 0.00 H new ATOM 0 HB THR A 92 22.598 2.275 64.436 1.00 0.00 H new ATOM 0 HG1 THR A 92 23.223 4.473 65.279 1.00 0.00 H new ATOM 0 HG21 THR A 92 24.248 3.702 63.281 1.00 0.00 H new ATOM 0 HG22 THR A 92 23.162 2.932 62.099 1.00 0.00 H new ATOM 0 HG23 THR A 92 22.932 4.641 62.537 1.00 0.00 H new