USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 461 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 34 ASN : amide:sc= -0.0531 K(o=-0.95,f=-2) USER MOD Set 1.2: A 65 ASN : amide:sc= -0.9 K(o=-0.95,f=-7!) USER MOD Single : A 13 SER OG : rot -140:sc= -0.0363 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= -1.8 USER MOD Single : A 27 SER OG : rot 113:sc= -0.813 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0274) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.0525 X(o=-0.052,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 170 N ARG A 12 -4.831 -3.119 -27.952 1.00 73.54 N ATOM 171 CA ARG A 12 -5.228 -3.956 -29.078 1.00 74.51 C ATOM 172 C ARG A 12 -5.144 -3.180 -30.389 1.00 62.41 C ATOM 173 O ARG A 12 -6.049 -3.246 -31.220 1.00 54.33 O ATOM 174 CB ARG A 12 -6.651 -4.481 -28.874 1.00 50.24 C ATOM 175 CG ARG A 12 -7.633 -3.415 -28.414 1.00 63.44 C ATOM 176 CD ARG A 12 -9.020 -3.996 -28.191 1.00 13.14 C ATOM 177 NE ARG A 12 -8.979 -5.224 -27.402 1.00 31.40 N ATOM 178 CZ ARG A 12 -8.885 -5.244 -26.077 1.00 70.31 C ATOM 179 NH1 ARG A 12 -8.823 -4.108 -25.396 1.00 72.24 N ATOM 180 NH2 ARG A 12 -8.853 -6.403 -25.430 1.00 51.54 N ATOM 0 HA ARG A 12 -4.540 -4.800 -29.131 1.00 74.51 H new ATOM 0 HB2 ARG A 12 -7.008 -4.912 -29.809 1.00 50.24 H new ATOM 0 HB3 ARG A 12 -6.631 -5.286 -28.139 1.00 50.24 H new ATOM 0 HG2 ARG A 12 -7.274 -2.962 -27.490 1.00 63.44 H new ATOM 0 HG3 ARG A 12 -7.685 -2.621 -29.159 1.00 63.44 H new ATOM 0 HD2 ARG A 12 -9.644 -3.260 -27.684 1.00 13.14 H new ATOM 0 HD3 ARG A 12 -9.487 -4.200 -29.155 1.00 13.14 H new ATOM 0 HE ARG A 12 -9.025 -6.116 -27.895 1.00 31.40 H new ATOM 0 HH11 ARG A 12 -8.847 -3.216 -25.889 1.00 72.24 H new ATOM 0 HH12 ARG A 12 -8.751 -4.127 -24.379 1.00 72.24 H new ATOM 0 HH21 ARG A 12 -8.901 -7.279 -25.950 1.00 51.54 H new ATOM 0 HH22 ARG A 12 -8.781 -6.417 -24.413 1.00 51.54 H new ATOM 194 N SER A 13 -4.050 -2.446 -30.567 1.00 12.14 N ATOM 195 CA SER A 13 -3.849 -1.654 -31.774 1.00 51.32 C ATOM 196 C SER A 13 -2.362 -1.463 -32.057 1.00 71.15 C ATOM 197 O SER A 13 -1.512 -2.063 -31.400 1.00 3.44 O ATOM 198 CB SER A 13 -4.532 -0.292 -31.636 1.00 11.22 C ATOM 199 OG SER A 13 -5.183 0.077 -32.839 1.00 72.12 O ATOM 0 H SER A 13 -3.289 -2.384 -29.890 1.00 12.14 H new ATOM 0 HA SER A 13 -4.294 -2.193 -32.610 1.00 51.32 H new ATOM 0 HB2 SER A 13 -5.257 -0.326 -30.823 1.00 11.22 H new ATOM 0 HB3 SER A 13 -3.792 0.464 -31.373 1.00 11.22 H new ATOM 0 HG SER A 13 -5.052 1.034 -33.002 1.00 72.12 H new ATOM 205 N SER A 14 -2.056 -0.624 -33.042 1.00 15.22 N ATOM 206 CA SER A 14 -0.673 -0.356 -33.416 1.00 62.11 C ATOM 207 C SER A 14 -0.373 1.139 -33.355 1.00 71.42 C ATOM 208 O SER A 14 0.422 1.657 -34.140 1.00 12.35 O ATOM 209 CB SER A 14 -0.391 -0.887 -34.823 1.00 22.42 C ATOM 210 OG SER A 14 -0.094 -2.273 -34.795 1.00 0.23 O ATOM 0 H SER A 14 -2.748 -0.118 -33.595 1.00 15.22 H new ATOM 0 HA SER A 14 -0.025 -0.868 -32.705 1.00 62.11 H new ATOM 0 HB2 SER A 14 -1.256 -0.710 -35.462 1.00 22.42 H new ATOM 0 HB3 SER A 14 0.445 -0.341 -35.260 1.00 22.42 H new ATOM 0 HG SER A 14 0.081 -2.589 -35.706 1.00 0.23 H new ATOM 216 N LYS A 15 -1.015 1.827 -32.417 1.00 75.44 N ATOM 217 CA LYS A 15 -0.819 3.262 -32.251 1.00 22.32 C ATOM 218 C LYS A 15 0.591 3.563 -31.752 1.00 13.41 C ATOM 219 O LYS A 15 1.156 2.804 -30.964 1.00 40.14 O ATOM 220 CB LYS A 15 -1.850 3.828 -31.272 1.00 41.41 C ATOM 221 CG LYS A 15 -1.536 3.528 -29.817 1.00 11.13 C ATOM 222 CD LYS A 15 -1.922 2.106 -29.445 1.00 4.21 C ATOM 223 CE LYS A 15 -0.701 1.203 -29.355 1.00 10.21 C ATOM 224 NZ LYS A 15 -0.843 0.184 -28.278 1.00 51.14 N ATOM 0 H LYS A 15 -1.676 1.413 -31.760 1.00 75.44 H new ATOM 0 HA LYS A 15 -0.951 3.737 -33.223 1.00 22.32 H new ATOM 0 HB2 LYS A 15 -1.912 4.908 -31.406 1.00 41.41 H new ATOM 0 HB3 LYS A 15 -2.831 3.420 -31.515 1.00 41.41 H new ATOM 0 HG2 LYS A 15 -0.472 3.676 -29.635 1.00 11.13 H new ATOM 0 HG3 LYS A 15 -2.069 4.230 -29.176 1.00 11.13 H new ATOM 0 HD2 LYS A 15 -2.446 2.108 -28.489 1.00 4.21 H new ATOM 0 HD3 LYS A 15 -2.615 1.710 -30.187 1.00 4.21 H new ATOM 0 HE2 LYS A 15 -0.548 0.702 -30.311 1.00 10.21 H new ATOM 0 HE3 LYS A 15 0.186 1.809 -29.167 1.00 10.21 H new ATOM 0 HZ1 LYS A 15 0.009 -0.411 -28.249 1.00 51.14 H new ATOM 0 HZ2 LYS A 15 -0.963 0.662 -27.362 1.00 51.14 H new ATOM 0 HZ3 LYS A 15 -1.674 -0.411 -28.470 1.00 51.14 H new ATOM 238 N ILE A 16 1.151 4.676 -32.214 1.00 24.12 N ATOM 239 CA ILE A 16 2.493 5.078 -31.812 1.00 5.23 C ATOM 240 C ILE A 16 2.797 6.505 -32.258 1.00 35.44 C ATOM 241 O ILE A 16 2.041 7.099 -33.027 1.00 14.03 O ATOM 242 CB ILE A 16 3.562 4.133 -32.392 1.00 60.00 C ATOM 243 CG1 ILE A 16 3.032 3.438 -33.648 1.00 34.24 C ATOM 244 CG2 ILE A 16 3.984 3.107 -31.350 1.00 50.54 C ATOM 245 CD1 ILE A 16 4.104 2.730 -34.445 1.00 45.13 C ATOM 0 H ILE A 16 0.696 5.315 -32.866 1.00 24.12 H new ATOM 0 HA ILE A 16 2.525 5.025 -30.724 1.00 5.23 H new ATOM 0 HB ILE A 16 4.436 4.723 -32.667 1.00 60.00 H new ATOM 0 HG12 ILE A 16 2.269 2.715 -33.359 1.00 34.24 H new ATOM 0 HG13 ILE A 16 2.546 4.177 -34.285 1.00 34.24 H new ATOM 0 HG21 ILE A 16 4.740 2.447 -31.775 1.00 50.54 H new ATOM 0 HG22 ILE A 16 4.397 3.620 -30.481 1.00 50.54 H new ATOM 0 HG23 ILE A 16 3.118 2.519 -31.047 1.00 50.54 H new ATOM 0 HD11 ILE A 16 3.656 2.260 -35.321 1.00 45.13 H new ATOM 0 HD12 ILE A 16 4.856 3.452 -34.765 1.00 45.13 H new ATOM 0 HD13 ILE A 16 4.574 1.967 -33.825 1.00 45.13 H new ATOM 257 N ILE A 17 3.908 7.047 -31.771 1.00 15.20 N ATOM 258 CA ILE A 17 4.312 8.403 -32.122 1.00 21.12 C ATOM 259 C ILE A 17 5.627 8.402 -32.893 1.00 64.24 C ATOM 260 O ILE A 17 6.347 7.402 -32.914 1.00 1.42 O ATOM 261 CB ILE A 17 4.465 9.287 -30.870 1.00 21.53 C ATOM 262 CG1 ILE A 17 5.535 8.710 -29.940 1.00 12.42 C ATOM 263 CG2 ILE A 17 3.134 9.410 -30.143 1.00 3.12 C ATOM 264 CD1 ILE A 17 4.994 7.709 -28.944 1.00 33.32 C ATOM 0 H ILE A 17 4.544 6.569 -31.133 1.00 15.20 H new ATOM 0 HA ILE A 17 3.524 8.814 -32.753 1.00 21.12 H new ATOM 0 HB ILE A 17 4.780 10.283 -31.182 1.00 21.53 H new ATOM 0 HG12 ILE A 17 6.307 8.231 -30.541 1.00 12.42 H new ATOM 0 HG13 ILE A 17 6.013 9.527 -29.399 1.00 12.42 H new ATOM 0 HG21 ILE A 17 3.258 10.038 -29.260 1.00 3.12 H new ATOM 0 HG22 ILE A 17 2.397 9.860 -30.808 1.00 3.12 H new ATOM 0 HG23 ILE A 17 2.792 8.420 -29.839 1.00 3.12 H new ATOM 0 HD11 ILE A 17 5.808 7.342 -28.318 1.00 33.32 H new ATOM 0 HD12 ILE A 17 4.242 8.189 -28.317 1.00 33.32 H new ATOM 0 HD13 ILE A 17 4.541 6.873 -29.477 1.00 33.32 H new ATOM 276 N LEU A 18 5.937 9.528 -33.526 1.00 13.32 N ATOM 277 CA LEU A 18 7.167 9.659 -34.298 1.00 44.01 C ATOM 278 C LEU A 18 7.929 10.919 -33.900 1.00 11.32 C ATOM 279 O LEU A 18 7.533 12.040 -34.219 1.00 52.51 O ATOM 280 CB LEU A 18 6.853 9.691 -35.795 1.00 12.13 C ATOM 281 CG LEU A 18 8.048 9.885 -36.728 1.00 4.31 C ATOM 282 CD1 LEU A 18 8.343 11.365 -36.917 1.00 1.21 C ATOM 283 CD2 LEU A 18 9.272 9.161 -36.185 1.00 73.03 C ATOM 0 H LEU A 18 5.353 10.364 -33.520 1.00 13.32 H new ATOM 0 HA LEU A 18 7.794 8.794 -34.083 1.00 44.01 H new ATOM 0 HB2 LEU A 18 6.357 8.758 -36.062 1.00 12.13 H new ATOM 0 HB3 LEU A 18 6.140 10.495 -35.979 1.00 12.13 H new ATOM 0 HG LEU A 18 7.799 9.458 -37.699 1.00 4.31 H new ATOM 0 HD11 LEU A 18 9.197 11.484 -37.584 1.00 1.21 H new ATOM 0 HD12 LEU A 18 7.472 11.857 -37.351 1.00 1.21 H new ATOM 0 HD13 LEU A 18 8.571 11.817 -35.952 1.00 1.21 H new ATOM 0 HD21 LEU A 18 10.113 9.310 -36.862 1.00 73.03 H new ATOM 0 HD22 LEU A 18 9.523 9.558 -35.201 1.00 73.03 H new ATOM 0 HD23 LEU A 18 9.057 8.096 -36.102 1.00 73.03 H new ATOM 295 N PRO A 19 9.050 10.733 -33.187 1.00 51.32 N ATOM 296 CA PRO A 19 9.892 11.844 -32.732 1.00 61.44 C ATOM 297 C PRO A 19 10.621 12.528 -33.884 1.00 31.20 C ATOM 298 O PRO A 19 10.911 11.905 -34.905 1.00 31.12 O ATOM 299 CB PRO A 19 10.893 11.167 -31.793 1.00 3.45 C ATOM 300 CG PRO A 19 10.957 9.754 -32.260 1.00 41.41 C ATOM 301 CD PRO A 19 9.582 9.425 -32.771 1.00 72.20 C ATOM 0 HA PRO A 19 9.307 12.632 -32.258 1.00 61.44 H new ATOM 0 HB2 PRO A 19 11.871 11.646 -31.846 1.00 3.45 H new ATOM 0 HB3 PRO A 19 10.565 11.226 -30.755 1.00 3.45 H new ATOM 0 HG2 PRO A 19 11.704 9.636 -33.045 1.00 41.41 H new ATOM 0 HG3 PRO A 19 11.241 9.086 -31.447 1.00 41.41 H new ATOM 0 HD2 PRO A 19 9.620 8.723 -33.604 1.00 72.20 H new ATOM 0 HD3 PRO A 19 8.965 8.968 -31.998 1.00 72.20 H new ATOM 309 N ALA A 20 10.914 13.813 -33.712 1.00 63.44 N ATOM 310 CA ALA A 20 11.612 14.580 -34.737 1.00 15.44 C ATOM 311 C ALA A 20 11.816 16.026 -34.295 1.00 63.51 C ATOM 312 O ALA A 20 12.914 16.413 -33.893 1.00 13.12 O ATOM 313 CB ALA A 20 10.842 14.531 -36.048 1.00 41.13 C ATOM 0 H ALA A 20 10.679 14.344 -32.874 1.00 63.44 H new ATOM 0 HA ALA A 20 12.594 14.131 -34.888 1.00 15.44 H new ATOM 0 HB1 ALA A 20 11.374 15.108 -36.804 1.00 41.13 H new ATOM 0 HB2 ALA A 20 10.751 13.496 -36.378 1.00 41.13 H new ATOM 0 HB3 ALA A 20 9.848 14.954 -35.902 1.00 41.13 H new ATOM 319 N CYS A 21 10.754 16.819 -34.373 1.00 54.54 N ATOM 320 CA CYS A 21 10.816 18.223 -33.983 1.00 64.32 C ATOM 321 C CYS A 21 9.460 18.709 -33.481 1.00 71.11 C ATOM 322 O CYS A 21 9.199 19.911 -33.433 1.00 73.45 O ATOM 323 CB CYS A 21 11.273 19.082 -35.164 1.00 5.03 C ATOM 324 SG CYS A 21 10.360 18.770 -36.709 1.00 30.45 S ATOM 0 H CYS A 21 9.838 16.514 -34.703 1.00 54.54 H new ATOM 0 HA CYS A 21 11.538 18.317 -33.172 1.00 64.32 H new ATOM 0 HB2 CYS A 21 11.166 20.133 -34.897 1.00 5.03 H new ATOM 0 HB3 CYS A 21 12.334 18.904 -35.339 1.00 5.03 H new ATOM 329 N MET A 22 8.601 17.766 -33.108 1.00 11.23 N ATOM 330 CA MET A 22 7.272 18.098 -32.608 1.00 12.53 C ATOM 331 C MET A 22 6.590 16.868 -32.017 1.00 51.41 C ATOM 332 O MET A 22 7.226 15.835 -31.807 1.00 35.12 O ATOM 333 CB MET A 22 6.413 18.683 -33.731 1.00 35.34 C ATOM 334 CG MET A 22 5.553 19.857 -33.290 1.00 65.12 C ATOM 335 SD MET A 22 3.863 19.750 -33.907 1.00 54.32 S ATOM 336 CE MET A 22 2.941 20.258 -32.458 1.00 13.31 C ATOM 0 H MET A 22 8.801 16.766 -33.143 1.00 11.23 H new ATOM 0 HA MET A 22 7.383 18.843 -31.820 1.00 12.53 H new ATOM 0 HB2 MET A 22 7.063 19.005 -34.545 1.00 35.34 H new ATOM 0 HB3 MET A 22 5.768 17.900 -34.129 1.00 35.34 H new ATOM 0 HG2 MET A 22 5.536 19.901 -32.201 1.00 65.12 H new ATOM 0 HG3 MET A 22 6.005 20.785 -33.640 1.00 65.12 H new ATOM 0 HE1 MET A 22 1.874 20.243 -32.682 1.00 13.31 H new ATOM 0 HE2 MET A 22 3.149 19.573 -31.636 1.00 13.31 H new ATOM 0 HE3 MET A 22 3.238 21.267 -32.173 1.00 13.31 H new ATOM 346 N HIS A 23 5.293 16.987 -31.751 1.00 72.33 N ATOM 347 CA HIS A 23 4.525 15.883 -31.185 1.00 12.50 C ATOM 348 C HIS A 23 3.504 15.359 -32.191 1.00 4.22 C ATOM 349 O HIS A 23 2.539 16.046 -32.524 1.00 31.43 O ATOM 350 CB HIS A 23 3.815 16.332 -29.907 1.00 70.41 C ATOM 351 CG HIS A 23 4.739 16.521 -28.744 1.00 32.35 C ATOM 352 ND1 HIS A 23 5.079 15.501 -27.879 1.00 41.43 N ATOM 353 CD2 HIS A 23 5.396 17.619 -28.304 1.00 42.44 C ATOM 354 CE1 HIS A 23 5.904 15.965 -26.958 1.00 3.40 C ATOM 355 NE2 HIS A 23 6.113 17.248 -27.194 1.00 2.23 N ATOM 0 H HIS A 23 4.752 17.836 -31.918 1.00 72.33 H new ATOM 0 HA HIS A 23 5.217 15.077 -30.944 1.00 12.50 H new ATOM 0 HB2 HIS A 23 3.292 17.269 -30.101 1.00 70.41 H new ATOM 0 HB3 HIS A 23 3.058 15.593 -29.643 1.00 70.41 H new ATOM 0 HD2 HIS A 23 5.362 18.605 -28.745 1.00 42.44 H new ATOM 0 HE1 HIS A 23 6.335 15.393 -26.149 1.00 3.40 H new ATOM 0 HE2 HIS A 23 6.710 17.863 -26.641 1.00 2.23 H new ATOM 363 N GLU A 24 3.726 14.140 -32.671 1.00 24.41 N ATOM 364 CA GLU A 24 2.826 13.525 -33.640 1.00 4.32 C ATOM 365 C GLU A 24 2.438 12.115 -33.204 1.00 43.22 C ATOM 366 O GLU A 24 3.062 11.533 -32.316 1.00 11.11 O ATOM 367 CB GLU A 24 3.482 13.482 -35.022 1.00 32.32 C ATOM 368 CG GLU A 24 4.890 12.910 -35.010 1.00 12.51 C ATOM 369 CD GLU A 24 5.916 13.878 -35.567 1.00 24.42 C ATOM 370 OE1 GLU A 24 5.989 14.019 -36.805 1.00 71.43 O ATOM 371 OE2 GLU A 24 6.647 14.494 -34.763 1.00 23.30 O ATOM 0 H GLU A 24 4.521 13.559 -32.405 1.00 24.41 H new ATOM 0 HA GLU A 24 1.922 14.131 -33.694 1.00 4.32 H new ATOM 0 HB2 GLU A 24 2.862 12.885 -35.691 1.00 32.32 H new ATOM 0 HB3 GLU A 24 3.512 14.491 -35.432 1.00 32.32 H new ATOM 0 HG2 GLU A 24 5.162 12.645 -33.988 1.00 12.51 H new ATOM 0 HG3 GLU A 24 4.910 11.990 -35.594 1.00 12.51 H new ATOM 378 N THR A 25 1.403 11.571 -33.836 1.00 33.13 N ATOM 379 CA THR A 25 0.929 10.231 -33.513 1.00 64.24 C ATOM 380 C THR A 25 0.143 9.631 -34.674 1.00 4.31 C ATOM 381 O THR A 25 -0.313 10.349 -35.564 1.00 60.14 O ATOM 382 CB THR A 25 0.041 10.236 -32.255 1.00 51.31 C ATOM 383 OG1 THR A 25 0.562 11.159 -31.292 1.00 15.12 O ATOM 384 CG2 THR A 25 -0.038 8.846 -31.642 1.00 41.22 C ATOM 0 H THR A 25 0.877 12.038 -34.575 1.00 33.13 H new ATOM 0 HA THR A 25 1.812 9.622 -33.322 1.00 64.24 H new ATOM 0 HB THR A 25 -0.963 10.544 -32.547 1.00 51.31 H new ATOM 0 HG1 THR A 25 -0.009 11.158 -30.495 1.00 15.12 H new ATOM 0 HG21 THR A 25 -0.671 8.875 -30.755 1.00 41.22 H new ATOM 0 HG22 THR A 25 -0.462 8.152 -32.368 1.00 41.22 H new ATOM 0 HG23 THR A 25 0.962 8.514 -31.364 1.00 41.22 H new ATOM 392 N CYS A 26 -0.012 8.312 -34.658 1.00 71.20 N ATOM 393 CA CYS A 26 -0.743 7.615 -35.709 1.00 75.20 C ATOM 394 C CYS A 26 -1.275 6.276 -35.206 1.00 32.13 C ATOM 395 O CYS A 26 -0.628 5.600 -34.406 1.00 0.44 O ATOM 396 CB CYS A 26 0.158 7.393 -36.926 1.00 15.44 C ATOM 397 SG CYS A 26 -0.748 7.158 -38.489 1.00 11.24 S ATOM 0 H CYS A 26 0.359 7.704 -33.928 1.00 71.20 H new ATOM 0 HA CYS A 26 -1.590 8.236 -36.001 1.00 75.20 H new ATOM 0 HB2 CYS A 26 0.826 8.248 -37.031 1.00 15.44 H new ATOM 0 HB3 CYS A 26 0.784 6.519 -36.746 1.00 15.44 H new ATOM 402 N SER A 27 -2.458 5.899 -35.681 1.00 20.14 N ATOM 403 CA SER A 27 -3.079 4.643 -35.277 1.00 21.14 C ATOM 404 C SER A 27 -4.256 4.302 -36.185 1.00 62.45 C ATOM 405 O SER A 27 -5.208 5.071 -36.302 1.00 14.51 O ATOM 406 CB SER A 27 -3.550 4.726 -33.823 1.00 44.43 C ATOM 407 OG SER A 27 -4.814 5.359 -33.732 1.00 52.35 O ATOM 0 H SER A 27 -3.005 6.445 -36.346 1.00 20.14 H new ATOM 0 HA SER A 27 -2.333 3.853 -35.365 1.00 21.14 H new ATOM 0 HB2 SER A 27 -3.610 3.724 -33.399 1.00 44.43 H new ATOM 0 HB3 SER A 27 -2.820 5.278 -33.232 1.00 44.43 H new ATOM 0 HG SER A 27 -5.485 4.709 -33.435 1.00 52.35 H new ATOM 413 N GLY A 28 -4.182 3.140 -36.829 1.00 3.24 N ATOM 414 CA GLY A 28 -5.246 2.716 -37.719 1.00 52.12 C ATOM 415 C GLY A 28 -5.545 1.235 -37.602 1.00 22.34 C ATOM 416 O GLY A 28 -5.007 0.424 -38.355 1.00 11.22 O ATOM 0 H GLY A 28 -3.404 2.486 -36.749 1.00 3.24 H new ATOM 0 HA2 GLY A 28 -6.149 3.284 -37.497 1.00 52.12 H new ATOM 0 HA3 GLY A 28 -4.969 2.947 -38.747 1.00 52.12 H new ATOM 420 N GLY A 29 -6.405 0.879 -36.652 1.00 2.33 N ATOM 421 CA GLY A 29 -6.758 -0.515 -36.454 1.00 44.52 C ATOM 422 C GLY A 29 -7.834 -0.697 -35.402 1.00 45.21 C ATOM 423 O GLY A 29 -8.674 -1.590 -35.511 1.00 41.13 O ATOM 0 H GLY A 29 -6.864 1.531 -36.016 1.00 2.33 H new ATOM 0 HA2 GLY A 29 -7.102 -0.937 -37.398 1.00 44.52 H new ATOM 0 HA3 GLY A 29 -5.869 -1.073 -36.161 1.00 44.52 H new ATOM 427 N PHE A 30 -7.808 0.151 -34.379 1.00 22.42 N ATOM 428 CA PHE A 30 -8.787 0.077 -33.301 1.00 10.33 C ATOM 429 C PHE A 30 -8.979 1.442 -32.647 1.00 11.53 C ATOM 430 O PHE A 30 -10.102 1.844 -32.342 1.00 0.23 O ATOM 431 CB PHE A 30 -8.347 -0.946 -32.252 1.00 4.12 C ATOM 432 CG PHE A 30 -9.308 -1.082 -31.106 1.00 11.51 C ATOM 433 CD1 PHE A 30 -9.212 -0.251 -30.001 1.00 43.22 C ATOM 434 CD2 PHE A 30 -10.308 -2.040 -31.133 1.00 72.23 C ATOM 435 CE1 PHE A 30 -10.095 -0.373 -28.945 1.00 51.32 C ATOM 436 CE2 PHE A 30 -11.195 -2.166 -30.081 1.00 23.54 C ATOM 437 CZ PHE A 30 -11.087 -1.333 -28.985 1.00 13.44 C ATOM 0 H PHE A 30 -7.120 0.897 -34.274 1.00 22.42 H new ATOM 0 HA PHE A 30 -9.738 -0.239 -33.729 1.00 10.33 H new ATOM 0 HB2 PHE A 30 -8.227 -1.917 -32.732 1.00 4.12 H new ATOM 0 HB3 PHE A 30 -7.370 -0.659 -31.864 1.00 4.12 H new ATOM 0 HD1 PHE A 30 -8.438 0.501 -29.965 1.00 43.22 H new ATOM 0 HD2 PHE A 30 -10.395 -2.696 -31.986 1.00 72.23 H new ATOM 0 HE1 PHE A 30 -10.009 0.281 -28.090 1.00 51.32 H new ATOM 0 HE2 PHE A 30 -11.972 -2.915 -30.116 1.00 23.54 H new ATOM 0 HZ PHE A 30 -11.777 -1.432 -28.160 1.00 13.44 H new ATOM 447 N SER A 31 -7.875 2.151 -32.434 1.00 24.32 N ATOM 448 CA SER A 31 -7.920 3.469 -31.812 1.00 23.10 C ATOM 449 C SER A 31 -8.331 4.533 -32.825 1.00 5.43 C ATOM 450 O SER A 31 -9.078 5.458 -32.503 1.00 34.22 O ATOM 451 CB SER A 31 -6.557 3.819 -31.211 1.00 13.42 C ATOM 452 OG SER A 31 -6.519 3.521 -29.826 1.00 62.21 O ATOM 0 H SER A 31 -6.938 1.834 -32.683 1.00 24.32 H new ATOM 0 HA SER A 31 -8.664 3.444 -31.016 1.00 23.10 H new ATOM 0 HB2 SER A 31 -5.775 3.263 -31.727 1.00 13.42 H new ATOM 0 HB3 SER A 31 -6.350 4.878 -31.364 1.00 13.42 H new ATOM 0 HG SER A 31 -5.637 3.752 -29.466 1.00 62.21 H new ATOM 458 N LEU A 32 -7.836 4.397 -34.050 1.00 73.12 N ATOM 459 CA LEU A 32 -8.151 5.346 -35.112 1.00 41.22 C ATOM 460 C LEU A 32 -7.884 6.778 -34.659 1.00 50.13 C ATOM 461 O LEU A 32 -8.773 7.453 -34.140 1.00 34.31 O ATOM 462 CB LEU A 32 -9.612 5.198 -35.539 1.00 54.30 C ATOM 463 CG LEU A 32 -10.125 6.229 -36.546 1.00 33.24 C ATOM 464 CD1 LEU A 32 -10.461 5.560 -37.870 1.00 2.42 C ATOM 465 CD2 LEU A 32 -11.341 6.957 -35.991 1.00 3.23 C ATOM 0 H LEU A 32 -7.215 3.639 -34.333 1.00 73.12 H new ATOM 0 HA LEU A 32 -7.507 5.128 -35.964 1.00 41.22 H new ATOM 0 HB2 LEU A 32 -9.746 4.204 -35.967 1.00 54.30 H new ATOM 0 HB3 LEU A 32 -10.237 5.248 -34.647 1.00 54.30 H new ATOM 0 HG LEU A 32 -9.337 6.961 -36.722 1.00 33.24 H new ATOM 0 HD11 LEU A 32 -10.824 6.309 -38.574 1.00 2.42 H new ATOM 0 HD12 LEU A 32 -9.567 5.085 -38.275 1.00 2.42 H new ATOM 0 HD13 LEU A 32 -11.232 4.806 -37.711 1.00 2.42 H new ATOM 0 HD21 LEU A 32 -11.693 7.687 -36.721 1.00 3.23 H new ATOM 0 HD22 LEU A 32 -12.134 6.237 -35.786 1.00 3.23 H new ATOM 0 HD23 LEU A 32 -11.069 7.469 -35.068 1.00 3.23 H new ATOM 477 N LYS A 33 -6.654 7.237 -34.862 1.00 2.45 N ATOM 478 CA LYS A 33 -6.269 8.590 -34.478 1.00 0.52 C ATOM 479 C LYS A 33 -4.840 8.895 -34.917 1.00 32.14 C ATOM 480 O LYS A 33 -4.073 7.988 -35.235 1.00 45.14 O ATOM 481 CB LYS A 33 -6.398 8.769 -32.963 1.00 42.34 C ATOM 482 CG LYS A 33 -5.586 7.767 -32.161 1.00 74.54 C ATOM 483 CD LYS A 33 -5.185 8.329 -30.808 1.00 45.34 C ATOM 484 CE LYS A 33 -3.718 8.731 -30.785 1.00 64.22 C ATOM 485 NZ LYS A 33 -3.256 9.066 -29.410 1.00 11.23 N ATOM 0 H LYS A 33 -5.906 6.692 -35.291 1.00 2.45 H new ATOM 0 HA LYS A 33 -6.941 9.288 -34.979 1.00 0.52 H new ATOM 0 HB2 LYS A 33 -6.081 9.777 -32.696 1.00 42.34 H new ATOM 0 HB3 LYS A 33 -7.448 8.680 -32.683 1.00 42.34 H new ATOM 0 HG2 LYS A 33 -6.168 6.856 -32.020 1.00 74.54 H new ATOM 0 HG3 LYS A 33 -4.692 7.491 -32.720 1.00 74.54 H new ATOM 0 HD2 LYS A 33 -5.804 9.195 -30.574 1.00 45.34 H new ATOM 0 HD3 LYS A 33 -5.372 7.585 -30.034 1.00 45.34 H new ATOM 0 HE2 LYS A 33 -3.112 7.917 -31.183 1.00 64.22 H new ATOM 0 HE3 LYS A 33 -3.567 9.590 -31.438 1.00 64.22 H new ATOM 0 HZ1 LYS A 33 -2.289 9.447 -29.452 1.00 11.23 H new ATOM 0 HZ2 LYS A 33 -3.891 9.777 -28.994 1.00 11.23 H new ATOM 0 HZ3 LYS A 33 -3.264 8.208 -28.822 1.00 11.23 H new ATOM 499 N ASN A 34 -4.490 10.177 -34.929 1.00 12.12 N ATOM 500 CA ASN A 34 -3.153 10.601 -35.328 1.00 22.54 C ATOM 501 C ASN A 34 -2.934 12.078 -35.015 1.00 30.42 C ATOM 502 O ASN A 34 -3.812 12.909 -35.248 1.00 63.24 O ATOM 503 CB ASN A 34 -2.939 10.347 -36.821 1.00 71.12 C ATOM 504 CG ASN A 34 -3.974 11.047 -37.680 1.00 40.35 C ATOM 505 OD1 ASN A 34 -3.898 12.256 -37.902 1.00 64.13 O ATOM 506 ND2 ASN A 34 -4.949 10.289 -38.169 1.00 3.04 N ATOM 0 H ASN A 34 -5.114 10.940 -34.667 1.00 12.12 H new ATOM 0 HA ASN A 34 -2.429 10.017 -34.760 1.00 22.54 H new ATOM 0 HB2 ASN A 34 -1.944 10.688 -37.106 1.00 71.12 H new ATOM 0 HB3 ASN A 34 -2.976 9.275 -37.013 1.00 71.12 H new ATOM 0 HD21 ASN A 34 -5.674 10.705 -38.754 1.00 3.04 H new ATOM 0 HD22 ASN A 34 -4.973 9.291 -37.960 1.00 3.04 H new ATOM 513 N ASP A 35 -1.758 12.397 -34.486 1.00 30.32 N ATOM 514 CA ASP A 35 -1.422 13.774 -34.142 1.00 74.43 C ATOM 515 C ASP A 35 -0.584 14.419 -35.241 1.00 61.12 C ATOM 516 O ASP A 35 0.370 13.821 -35.741 1.00 53.31 O ATOM 517 CB ASP A 35 -0.667 13.821 -32.813 1.00 70.42 C ATOM 518 CG ASP A 35 -1.554 14.242 -31.658 1.00 4.40 C ATOM 519 OD1 ASP A 35 -2.682 13.718 -31.554 1.00 40.04 O ATOM 520 OD2 ASP A 35 -1.119 15.098 -30.858 1.00 33.31 O ATOM 0 H ASP A 35 -1.021 11.721 -34.286 1.00 30.32 H new ATOM 0 HA ASP A 35 -2.351 14.335 -34.042 1.00 74.43 H new ATOM 0 HB2 ASP A 35 -0.245 12.838 -32.603 1.00 70.42 H new ATOM 0 HB3 ASP A 35 0.169 14.516 -32.898 1.00 70.42 H new ATOM 525 N CYS A 36 -0.946 15.642 -35.614 1.00 31.12 N ATOM 526 CA CYS A 36 -0.229 16.369 -36.654 1.00 71.45 C ATOM 527 C CYS A 36 1.279 16.279 -36.440 1.00 0.43 C ATOM 528 O CYS A 36 1.742 15.949 -35.348 1.00 42.30 O ATOM 529 CB CYS A 36 -0.666 17.835 -36.676 1.00 35.43 C ATOM 530 SG CYS A 36 -1.501 18.339 -38.215 1.00 4.45 S ATOM 0 H CYS A 36 -1.733 16.151 -35.211 1.00 31.12 H new ATOM 0 HA CYS A 36 -0.470 15.911 -37.613 1.00 71.45 H new ATOM 0 HB2 CYS A 36 -1.336 18.016 -35.836 1.00 35.43 H new ATOM 0 HB3 CYS A 36 0.210 18.466 -36.527 1.00 35.43 H new ATOM 535 N TRP A 37 2.038 16.576 -37.488 1.00 5.10 N ATOM 536 CA TRP A 37 3.494 16.530 -37.414 1.00 65.33 C ATOM 537 C TRP A 37 4.086 17.934 -37.452 1.00 44.31 C ATOM 538 O TRP A 37 3.357 18.926 -37.460 1.00 52.21 O ATOM 539 CB TRP A 37 4.058 15.694 -38.565 1.00 55.42 C ATOM 540 CG TRP A 37 3.755 16.266 -39.917 1.00 73.34 C ATOM 541 CD1 TRP A 37 2.550 16.253 -40.561 1.00 44.24 C ATOM 542 CD2 TRP A 37 4.672 16.932 -40.791 1.00 64.34 C ATOM 543 NE1 TRP A 37 2.664 16.871 -41.783 1.00 43.33 N ATOM 544 CE2 TRP A 37 3.956 17.297 -41.948 1.00 12.12 C ATOM 545 CE3 TRP A 37 6.029 17.257 -40.709 1.00 70.21 C ATOM 546 CZ2 TRP A 37 4.552 17.969 -43.011 1.00 41.33 C ATOM 547 CZ3 TRP A 37 6.619 17.924 -41.766 1.00 24.34 C ATOM 548 CH2 TRP A 37 5.882 18.275 -42.904 1.00 33.11 C ATOM 0 H TRP A 37 1.670 16.851 -38.399 1.00 5.10 H new ATOM 0 HA TRP A 37 3.770 16.065 -36.467 1.00 65.33 H new ATOM 0 HB2 TRP A 37 5.138 15.609 -38.448 1.00 55.42 H new ATOM 0 HB3 TRP A 37 3.651 14.685 -38.505 1.00 55.42 H new ATOM 0 HD1 TRP A 37 1.642 15.821 -40.168 1.00 44.24 H new ATOM 0 HE1 TRP A 37 1.909 16.993 -42.458 1.00 43.33 H new ATOM 0 HE3 TRP A 37 6.606 16.992 -39.835 1.00 70.21 H new ATOM 0 HZ2 TRP A 37 3.985 18.240 -43.890 1.00 41.33 H new ATOM 0 HZ3 TRP A 37 7.667 18.179 -41.713 1.00 24.34 H new ATOM 0 HH2 TRP A 37 6.372 18.797 -43.712 1.00 33.11 H new ATOM 559 N CYS A 38 5.413 18.012 -37.475 1.00 53.35 N ATOM 560 CA CYS A 38 6.103 19.296 -37.512 1.00 62.23 C ATOM 561 C CYS A 38 5.543 20.183 -38.620 1.00 42.14 C ATOM 562 O CYS A 38 5.844 19.988 -39.799 1.00 13.35 O ATOM 563 CB CYS A 38 7.604 19.085 -37.722 1.00 0.31 C ATOM 564 SG CYS A 38 8.655 20.031 -36.573 1.00 40.23 S ATOM 0 H CYS A 38 6.032 17.201 -37.469 1.00 53.35 H new ATOM 0 HA CYS A 38 5.943 19.795 -36.556 1.00 62.23 H new ATOM 0 HB2 CYS A 38 7.830 18.024 -37.614 1.00 0.31 H new ATOM 0 HB3 CYS A 38 7.860 19.363 -38.744 1.00 0.31 H new ATOM 569 N CYS A 39 4.728 21.158 -38.234 1.00 54.52 N ATOM 570 CA CYS A 39 4.125 22.076 -39.193 1.00 13.40 C ATOM 571 C CYS A 39 5.079 23.220 -39.525 1.00 51.02 C ATOM 572 O CYS A 39 4.790 24.055 -40.383 1.00 51.22 O ATOM 573 CB CYS A 39 2.813 22.637 -38.639 1.00 61.41 C ATOM 574 SG CYS A 39 1.831 23.570 -39.856 1.00 53.42 S ATOM 0 H CYS A 39 4.469 21.333 -37.263 1.00 54.52 H new ATOM 0 HA CYS A 39 3.918 21.521 -40.108 1.00 13.40 H new ATOM 0 HB2 CYS A 39 2.211 21.813 -38.257 1.00 61.41 H new ATOM 0 HB3 CYS A 39 3.037 23.287 -37.793 1.00 61.41 H new ATOM 579 N LEU A 40 6.217 23.251 -38.841 1.00 11.25 N ATOM 580 CA LEU A 40 7.215 24.292 -39.062 1.00 60.34 C ATOM 581 C LEU A 40 8.613 23.691 -39.168 1.00 42.43 C ATOM 582 O LEU A 40 9.234 23.357 -38.159 1.00 71.21 O ATOM 583 CB LEU A 40 7.172 25.317 -37.928 1.00 44.00 C ATOM 584 CG LEU A 40 5.954 25.248 -37.007 1.00 11.43 C ATOM 585 CD1 LEU A 40 6.143 24.171 -35.950 1.00 64.14 C ATOM 586 CD2 LEU A 40 5.702 26.600 -36.354 1.00 23.33 C ATOM 0 H LEU A 40 6.472 22.567 -38.128 1.00 11.25 H new ATOM 0 HA LEU A 40 6.982 24.791 -40.002 1.00 60.34 H new ATOM 0 HB2 LEU A 40 8.069 25.195 -37.321 1.00 44.00 H new ATOM 0 HB3 LEU A 40 7.216 26.315 -38.365 1.00 44.00 H new ATOM 0 HG LEU A 40 5.083 24.989 -37.608 1.00 11.43 H new ATOM 0 HD11 LEU A 40 5.266 24.137 -35.304 1.00 64.14 H new ATOM 0 HD12 LEU A 40 6.274 23.204 -36.435 1.00 64.14 H new ATOM 0 HD13 LEU A 40 7.025 24.399 -35.352 1.00 64.14 H new ATOM 0 HD21 LEU A 40 4.831 26.532 -35.702 1.00 23.33 H new ATOM 0 HD22 LEU A 40 6.574 26.889 -35.767 1.00 23.33 H new ATOM 0 HD23 LEU A 40 5.520 27.348 -37.125 1.00 23.33 H new ATOM 598 N ARG A 41 9.104 23.560 -40.396 1.00 74.25 N ATOM 599 CA ARG A 41 10.429 23.001 -40.634 1.00 60.11 C ATOM 600 C ARG A 41 11.516 24.018 -40.298 1.00 21.44 C ATOM 601 O ARG A 41 12.239 24.484 -41.179 1.00 1.21 O ATOM 602 CB ARG A 41 10.565 22.557 -42.092 1.00 32.23 C ATOM 603 CG ARG A 41 10.251 23.655 -43.095 1.00 25.03 C ATOM 604 CD ARG A 41 8.851 23.503 -43.668 1.00 65.55 C ATOM 605 NE ARG A 41 8.866 22.874 -44.986 1.00 73.45 N ATOM 606 CZ ARG A 41 9.289 23.484 -46.088 1.00 3.14 C ATOM 607 NH1 ARG A 41 9.732 24.733 -46.029 1.00 35.41 N ATOM 608 NH2 ARG A 41 9.271 22.845 -47.250 1.00 44.35 N ATOM 0 H ARG A 41 8.604 23.834 -41.242 1.00 74.25 H new ATOM 0 HA ARG A 41 10.552 22.134 -39.984 1.00 60.11 H new ATOM 0 HB2 ARG A 41 11.581 22.202 -42.261 1.00 32.23 H new ATOM 0 HB3 ARG A 41 9.899 21.713 -42.270 1.00 32.23 H new ATOM 0 HG2 ARG A 41 10.344 24.628 -42.612 1.00 25.03 H new ATOM 0 HG3 ARG A 41 10.981 23.630 -43.904 1.00 25.03 H new ATOM 0 HD2 ARG A 41 8.244 22.906 -42.988 1.00 65.55 H new ATOM 0 HD3 ARG A 41 8.380 24.483 -43.739 1.00 65.55 H new ATOM 0 HE ARG A 41 8.533 21.913 -45.065 1.00 73.45 H new ATOM 0 HH11 ARG A 41 9.748 25.227 -45.137 1.00 35.41 H new ATOM 0 HH12 ARG A 41 10.056 25.200 -46.876 1.00 35.41 H new ATOM 0 HH21 ARG A 41 8.932 21.884 -47.298 1.00 44.35 H new ATOM 0 HH22 ARG A 41 9.596 23.314 -48.095 1.00 44.35 H new ATOM 622 N LEU A 42 11.625 24.357 -39.018 1.00 5.00 N ATOM 623 CA LEU A 42 12.624 25.319 -38.564 1.00 70.03 C ATOM 624 C LEU A 42 14.035 24.796 -38.810 1.00 65.25 C ATOM 625 O LEU A 42 14.230 23.615 -39.100 1.00 42.24 O ATOM 626 CB LEU A 42 12.432 25.620 -37.077 1.00 13.31 C ATOM 627 CG LEU A 42 12.765 24.481 -36.113 1.00 3.42 C ATOM 628 CD1 LEU A 42 13.244 25.034 -34.779 1.00 63.13 C ATOM 629 CD2 LEU A 42 11.556 23.579 -35.915 1.00 23.31 C ATOM 0 H LEU A 42 11.034 23.980 -38.276 1.00 5.00 H new ATOM 0 HA LEU A 42 12.492 26.238 -39.135 1.00 70.03 H new ATOM 0 HB2 LEU A 42 13.049 26.480 -36.818 1.00 13.31 H new ATOM 0 HB3 LEU A 42 11.394 25.913 -36.917 1.00 13.31 H new ATOM 0 HG LEU A 42 13.569 23.887 -36.547 1.00 3.42 H new ATOM 0 HD11 LEU A 42 13.476 24.209 -34.106 1.00 63.13 H new ATOM 0 HD12 LEU A 42 14.138 25.638 -34.935 1.00 63.13 H new ATOM 0 HD13 LEU A 42 12.461 25.652 -34.339 1.00 63.13 H new ATOM 0 HD21 LEU A 42 11.812 22.774 -35.226 1.00 23.31 H new ATOM 0 HD22 LEU A 42 10.731 24.161 -35.503 1.00 23.31 H new ATOM 0 HD23 LEU A 42 11.258 23.155 -36.874 1.00 23.31 H new ATOM 641 N LYS A 43 15.018 25.682 -38.691 1.00 64.21 N ATOM 642 CA LYS A 43 16.413 25.310 -38.897 1.00 3.21 C ATOM 643 C LYS A 43 17.324 26.059 -37.930 1.00 3.51 C ATOM 644 O LYS A 43 18.544 26.078 -38.097 1.00 43.23 O ATOM 645 CB LYS A 43 16.833 25.602 -40.339 1.00 52.24 C ATOM 646 CG LYS A 43 17.082 27.075 -40.614 1.00 52.12 C ATOM 647 CD LYS A 43 18.567 27.385 -40.692 1.00 24.51 C ATOM 648 CE LYS A 43 19.006 27.655 -42.123 1.00 23.21 C ATOM 649 NZ LYS A 43 20.486 27.581 -42.273 1.00 1.05 N ATOM 0 H LYS A 43 14.874 26.663 -38.453 1.00 64.21 H new ATOM 0 HA LYS A 43 16.510 24.241 -38.706 1.00 3.21 H new ATOM 0 HB2 LYS A 43 17.739 25.041 -40.565 1.00 52.24 H new ATOM 0 HB3 LYS A 43 16.058 25.241 -41.015 1.00 52.24 H new ATOM 0 HG2 LYS A 43 16.601 27.357 -41.550 1.00 52.12 H new ATOM 0 HG3 LYS A 43 16.625 27.675 -39.827 1.00 52.12 H new ATOM 0 HD2 LYS A 43 18.792 28.253 -40.072 1.00 24.51 H new ATOM 0 HD3 LYS A 43 19.136 26.548 -40.288 1.00 24.51 H new ATOM 0 HE2 LYS A 43 18.537 26.931 -42.789 1.00 23.21 H new ATOM 0 HE3 LYS A 43 18.659 28.642 -42.429 1.00 23.21 H new ATOM 0 HZ1 LYS A 43 20.745 27.771 -43.262 1.00 1.05 H new ATOM 0 HZ2 LYS A 43 20.933 28.289 -41.656 1.00 1.05 H new ATOM 0 HZ3 LYS A 43 20.815 26.631 -42.005 1.00 1.05 H new ATOM 663 N THR A 44 16.725 26.676 -36.916 1.00 34.11 N ATOM 664 CA THR A 44 17.482 27.426 -35.922 1.00 12.10 C ATOM 665 C THR A 44 16.562 28.012 -34.857 1.00 53.12 C ATOM 666 O THR A 44 16.880 27.993 -33.668 1.00 13.10 O ATOM 667 CB THR A 44 18.287 28.567 -36.573 1.00 22.44 C ATOM 668 OG1 THR A 44 18.987 29.308 -35.567 1.00 22.41 O ATOM 669 CG2 THR A 44 17.372 29.499 -37.352 1.00 1.01 C ATOM 0 H THR A 44 15.717 26.671 -36.762 1.00 34.11 H new ATOM 0 HA THR A 44 18.173 26.724 -35.455 1.00 12.10 H new ATOM 0 HB THR A 44 19.005 28.127 -37.265 1.00 22.44 H new ATOM 0 HG1 THR A 44 19.498 30.030 -35.989 1.00 22.41 H new ATOM 0 HG21 THR A 44 17.963 30.296 -37.802 1.00 1.01 H new ATOM 0 HG22 THR A 44 16.863 28.938 -38.135 1.00 1.01 H new ATOM 0 HG23 THR A 44 16.633 29.932 -36.677 1.00 1.01 H new ATOM 677 N LYS A 45 15.419 28.532 -35.291 1.00 54.40 N ATOM 678 CA LYS A 45 14.450 29.123 -34.375 1.00 71.21 C ATOM 679 C LYS A 45 13.179 29.528 -35.115 1.00 33.24 C ATOM 680 O LYS A 45 12.079 29.445 -34.568 1.00 24.13 O ATOM 681 CB LYS A 45 15.056 30.342 -33.675 1.00 72.44 C ATOM 682 CG LYS A 45 15.228 31.543 -34.588 1.00 4.41 C ATOM 683 CD LYS A 45 14.028 32.472 -34.520 1.00 11.32 C ATOM 684 CE LYS A 45 14.450 33.912 -34.270 1.00 24.15 C ATOM 685 NZ LYS A 45 13.371 34.701 -33.614 1.00 21.35 N ATOM 0 H LYS A 45 15.141 28.556 -36.272 1.00 54.40 H new ATOM 0 HA LYS A 45 14.191 28.374 -33.627 1.00 71.21 H new ATOM 0 HB2 LYS A 45 14.420 30.622 -32.836 1.00 72.44 H new ATOM 0 HB3 LYS A 45 16.027 30.068 -33.262 1.00 72.44 H new ATOM 0 HG2 LYS A 45 16.128 32.089 -34.306 1.00 4.41 H new ATOM 0 HG3 LYS A 45 15.369 31.204 -35.614 1.00 4.41 H new ATOM 0 HD2 LYS A 45 13.468 32.413 -35.453 1.00 11.32 H new ATOM 0 HD3 LYS A 45 13.358 32.145 -33.725 1.00 11.32 H new ATOM 0 HE2 LYS A 45 15.342 33.925 -33.643 1.00 24.15 H new ATOM 0 HE3 LYS A 45 14.719 34.381 -35.217 1.00 24.15 H new ATOM 0 HZ1 LYS A 45 13.698 35.676 -33.461 1.00 21.35 H new ATOM 0 HZ2 LYS A 45 12.528 34.710 -34.223 1.00 21.35 H new ATOM 0 HZ3 LYS A 45 13.132 34.268 -32.699 1.00 21.35 H new ATOM 699 N GLN A 46 13.337 29.964 -36.360 1.00 5.10 N ATOM 700 CA GLN A 46 12.201 30.381 -37.174 1.00 25.25 C ATOM 701 C GLN A 46 11.180 29.255 -37.299 1.00 41.24 C ATOM 702 O GLN A 46 11.317 28.206 -36.671 1.00 5.21 O ATOM 703 CB GLN A 46 12.674 30.815 -38.562 1.00 74.33 C ATOM 704 CG GLN A 46 13.520 29.770 -39.271 1.00 63.10 C ATOM 705 CD GLN A 46 13.633 30.023 -40.761 1.00 50.14 C ATOM 706 OE1 GLN A 46 13.382 29.133 -41.575 1.00 1.23 O ATOM 707 NE2 GLN A 46 14.012 31.242 -41.128 1.00 72.22 N ATOM 0 H GLN A 46 14.241 30.038 -36.828 1.00 5.10 H new ATOM 0 HA GLN A 46 11.722 31.227 -36.681 1.00 25.25 H new ATOM 0 HB2 GLN A 46 11.804 31.045 -39.178 1.00 74.33 H new ATOM 0 HB3 GLN A 46 13.251 31.735 -38.469 1.00 74.33 H new ATOM 0 HG2 GLN A 46 14.518 29.757 -38.832 1.00 63.10 H new ATOM 0 HG3 GLN A 46 13.086 28.784 -39.106 1.00 63.10 H new ATOM 0 HE21 GLN A 46 14.210 31.949 -40.420 1.00 72.22 H new ATOM 0 HE22 GLN A 46 14.105 31.471 -42.118 1.00 72.22 H new ATOM 716 N ALA A 47 10.156 29.481 -38.115 1.00 54.04 N ATOM 717 CA ALA A 47 9.112 28.485 -38.325 1.00 10.22 C ATOM 718 C ALA A 47 8.129 28.938 -39.399 1.00 70.11 C ATOM 719 O ALA A 47 7.538 30.013 -39.299 1.00 54.03 O ATOM 720 CB ALA A 47 8.380 28.206 -37.021 1.00 32.24 C ATOM 0 H ALA A 47 10.027 30.345 -38.642 1.00 54.04 H new ATOM 0 HA ALA A 47 9.585 27.565 -38.668 1.00 10.22 H new ATOM 0 HB1 ALA A 47 7.603 27.461 -37.192 1.00 32.24 H new ATOM 0 HB2 ALA A 47 9.086 27.831 -36.280 1.00 32.24 H new ATOM 0 HB3 ALA A 47 7.925 29.126 -36.655 1.00 32.24 H new ATOM 726 N ARG A 48 7.960 28.111 -40.426 1.00 12.31 N ATOM 727 CA ARG A 48 7.050 28.428 -41.520 1.00 14.21 C ATOM 728 C ARG A 48 5.984 27.347 -41.671 1.00 60.41 C ATOM 729 O ARG A 48 6.299 26.175 -41.885 1.00 53.52 O ATOM 730 CB ARG A 48 7.826 28.581 -42.829 1.00 53.13 C ATOM 731 CG ARG A 48 6.945 28.901 -44.026 1.00 34.22 C ATOM 732 CD ARG A 48 6.517 30.360 -44.029 1.00 12.15 C ATOM 733 NE ARG A 48 6.553 30.938 -45.369 1.00 50.51 N ATOM 734 CZ ARG A 48 7.663 31.383 -45.948 1.00 12.32 C ATOM 735 NH1 ARG A 48 8.821 31.316 -45.307 1.00 25.11 N ATOM 736 NH2 ARG A 48 7.615 31.896 -47.171 1.00 1.54 N ATOM 0 H ARG A 48 8.441 27.217 -40.523 1.00 12.31 H new ATOM 0 HA ARG A 48 6.556 29.371 -41.287 1.00 14.21 H new ATOM 0 HB2 ARG A 48 8.567 29.372 -42.712 1.00 53.13 H new ATOM 0 HB3 ARG A 48 8.373 27.659 -43.027 1.00 53.13 H new ATOM 0 HG2 ARG A 48 7.485 28.677 -44.946 1.00 34.22 H new ATOM 0 HG3 ARG A 48 6.062 28.262 -44.011 1.00 34.22 H new ATOM 0 HD2 ARG A 48 5.508 30.443 -43.626 1.00 12.15 H new ATOM 0 HD3 ARG A 48 7.171 30.931 -43.370 1.00 12.15 H new ATOM 0 HE ARG A 48 5.678 31.004 -45.889 1.00 50.51 H new ATOM 0 HH11 ARG A 48 8.862 30.922 -44.367 1.00 25.11 H new ATOM 0 HH12 ARG A 48 9.672 31.658 -45.754 1.00 25.11 H new ATOM 0 HH21 ARG A 48 6.725 31.949 -47.667 1.00 1.54 H new ATOM 0 HH22 ARG A 48 8.468 32.237 -47.615 1.00 1.54 H new ATOM 750 N CYS A 49 4.722 27.747 -41.558 1.00 30.33 N ATOM 751 CA CYS A 49 3.609 26.813 -41.681 1.00 22.14 C ATOM 752 C CYS A 49 2.564 27.339 -42.660 1.00 35.42 C ATOM 753 O CYS A 49 2.491 28.539 -42.920 1.00 51.55 O ATOM 754 CB CYS A 49 2.967 26.570 -40.313 1.00 71.34 C ATOM 755 SG CYS A 49 1.888 25.103 -40.249 1.00 50.31 S ATOM 0 H CYS A 49 4.444 28.712 -41.381 1.00 30.33 H new ATOM 0 HA CYS A 49 3.998 25.870 -42.065 1.00 22.14 H new ATOM 0 HB2 CYS A 49 3.755 26.461 -39.568 1.00 71.34 H new ATOM 0 HB3 CYS A 49 2.385 27.449 -40.035 1.00 71.34 H new ATOM 760 N TRP A 50 1.757 26.431 -43.198 1.00 14.41 N ATOM 761 CA TRP A 50 0.715 26.803 -44.148 1.00 55.42 C ATOM 762 C TRP A 50 -0.671 26.541 -43.567 1.00 44.34 C ATOM 763 O TRP A 50 -0.907 25.508 -42.941 1.00 71.12 O ATOM 764 CB TRP A 50 0.888 26.029 -45.456 1.00 31.24 C ATOM 765 CG TRP A 50 1.271 24.595 -45.250 1.00 21.50 C ATOM 766 CD1 TRP A 50 0.453 23.506 -45.347 1.00 34.52 C ATOM 767 CD2 TRP A 50 2.569 24.094 -44.911 1.00 0.53 C ATOM 768 NE1 TRP A 50 1.164 22.359 -45.088 1.00 74.41 N ATOM 769 CE2 TRP A 50 2.464 22.693 -44.819 1.00 24.33 C ATOM 770 CE3 TRP A 50 3.810 24.694 -44.678 1.00 34.13 C ATOM 771 CZ2 TRP A 50 3.553 21.885 -44.503 1.00 22.54 C ATOM 772 CZ3 TRP A 50 4.889 23.890 -44.364 1.00 2.41 C ATOM 773 CH2 TRP A 50 4.756 22.498 -44.279 1.00 52.14 C ATOM 0 H TRP A 50 1.804 25.433 -42.993 1.00 14.41 H new ATOM 0 HA TRP A 50 0.808 27.870 -44.351 1.00 55.42 H new ATOM 0 HB2 TRP A 50 -0.043 26.072 -46.021 1.00 31.24 H new ATOM 0 HB3 TRP A 50 1.651 26.518 -46.061 1.00 31.24 H new ATOM 0 HD1 TRP A 50 -0.598 23.541 -45.591 1.00 34.52 H new ATOM 0 HE1 TRP A 50 0.785 21.412 -45.095 1.00 74.41 H new ATOM 0 HE3 TRP A 50 3.923 25.766 -44.742 1.00 34.13 H new ATOM 0 HZ2 TRP A 50 3.452 20.812 -44.437 1.00 22.54 H new ATOM 0 HZ3 TRP A 50 5.852 24.343 -44.181 1.00 2.41 H new ATOM 0 HH2 TRP A 50 5.619 21.897 -44.032 1.00 52.14 H new ATOM 784 N LYS A 51 -1.584 27.483 -43.779 1.00 20.12 N ATOM 785 CA LYS A 51 -2.947 27.353 -43.278 1.00 11.53 C ATOM 786 C LYS A 51 -3.715 26.290 -44.057 1.00 4.31 C ATOM 787 O LYS A 51 -3.850 26.380 -45.277 1.00 33.34 O ATOM 788 CB LYS A 51 -3.676 28.696 -43.371 1.00 74.44 C ATOM 789 CG LYS A 51 -2.854 29.871 -42.872 1.00 32.12 C ATOM 790 CD LYS A 51 -2.354 30.730 -44.021 1.00 22.01 C ATOM 791 CE LYS A 51 -2.103 32.163 -43.577 1.00 63.01 C ATOM 792 NZ LYS A 51 -0.913 32.752 -44.252 1.00 10.11 N ATOM 0 H LYS A 51 -1.405 28.345 -44.294 1.00 20.12 H new ATOM 0 HA LYS A 51 -2.896 27.045 -42.234 1.00 11.53 H new ATOM 0 HB2 LYS A 51 -3.958 28.875 -44.408 1.00 74.44 H new ATOM 0 HB3 LYS A 51 -4.600 28.639 -42.795 1.00 74.44 H new ATOM 0 HG2 LYS A 51 -3.458 30.479 -42.198 1.00 32.12 H new ATOM 0 HG3 LYS A 51 -2.005 29.504 -42.295 1.00 32.12 H new ATOM 0 HD2 LYS A 51 -1.433 30.305 -44.420 1.00 22.01 H new ATOM 0 HD3 LYS A 51 -3.086 30.721 -44.829 1.00 22.01 H new ATOM 0 HE2 LYS A 51 -2.982 32.770 -43.795 1.00 63.01 H new ATOM 0 HE3 LYS A 51 -1.958 32.189 -42.497 1.00 63.01 H new ATOM 0 HZ1 LYS A 51 -0.775 33.729 -43.923 1.00 10.11 H new ATOM 0 HZ2 LYS A 51 -0.070 32.188 -44.024 1.00 10.11 H new ATOM 0 HZ3 LYS A 51 -1.062 32.751 -45.281 1.00 10.11 H new ATOM 806 N GLU A 52 -4.215 25.286 -43.344 1.00 14.33 N ATOM 807 CA GLU A 52 -4.970 24.207 -43.970 1.00 41.11 C ATOM 808 C GLU A 52 -6.219 24.746 -44.661 1.00 40.32 C ATOM 809 O GLU A 52 -6.827 24.067 -45.489 1.00 42.41 O ATOM 810 CB GLU A 52 -5.363 23.158 -42.928 1.00 0.11 C ATOM 811 CG GLU A 52 -6.052 21.940 -43.520 1.00 65.11 C ATOM 812 CD GLU A 52 -7.438 21.718 -42.948 1.00 30.32 C ATOM 813 OE1 GLU A 52 -7.588 21.789 -41.710 1.00 52.13 O ATOM 814 OE2 GLU A 52 -8.373 21.473 -43.738 1.00 72.35 O ATOM 0 H GLU A 52 -4.111 25.197 -42.333 1.00 14.33 H new ATOM 0 HA GLU A 52 -4.333 23.741 -44.722 1.00 41.11 H new ATOM 0 HB2 GLU A 52 -4.469 22.836 -42.394 1.00 0.11 H new ATOM 0 HB3 GLU A 52 -6.024 23.618 -42.193 1.00 0.11 H new ATOM 0 HG2 GLU A 52 -6.124 22.058 -44.601 1.00 65.11 H new ATOM 0 HG3 GLU A 52 -5.441 21.056 -43.336 1.00 65.11 H new ATOM 821 N LYS A 53 -6.597 25.972 -44.315 1.00 11.04 N ATOM 822 CA LYS A 53 -7.773 26.605 -44.900 1.00 62.15 C ATOM 823 C LYS A 53 -7.486 27.073 -46.324 1.00 34.03 C ATOM 824 O LYS A 53 -8.343 26.976 -47.202 1.00 44.01 O ATOM 825 CB LYS A 53 -8.220 27.791 -44.043 1.00 21.34 C ATOM 826 CG LYS A 53 -7.167 28.877 -43.911 1.00 2.34 C ATOM 827 CD LYS A 53 -7.167 29.488 -42.519 1.00 41.03 C ATOM 828 CE LYS A 53 -6.516 30.863 -42.514 1.00 23.52 C ATOM 829 NZ LYS A 53 -7.503 31.943 -42.238 1.00 62.13 N ATOM 0 H LYS A 53 -6.105 26.548 -43.631 1.00 11.04 H new ATOM 0 HA LYS A 53 -8.574 25.866 -44.932 1.00 62.15 H new ATOM 0 HB2 LYS A 53 -9.122 28.222 -44.477 1.00 21.34 H new ATOM 0 HB3 LYS A 53 -8.485 27.431 -43.049 1.00 21.34 H new ATOM 0 HG2 LYS A 53 -6.183 28.459 -44.126 1.00 2.34 H new ATOM 0 HG3 LYS A 53 -7.351 29.656 -44.651 1.00 2.34 H new ATOM 0 HD2 LYS A 53 -8.192 29.568 -42.156 1.00 41.03 H new ATOM 0 HD3 LYS A 53 -6.635 28.830 -41.832 1.00 41.03 H new ATOM 0 HE2 LYS A 53 -5.729 30.889 -41.761 1.00 23.52 H new ATOM 0 HE3 LYS A 53 -6.041 31.043 -43.478 1.00 23.52 H new ATOM 0 HZ1 LYS A 53 -7.020 32.864 -42.243 1.00 62.13 H new ATOM 0 HZ2 LYS A 53 -8.241 31.935 -42.971 1.00 62.13 H new ATOM 0 HZ3 LYS A 53 -7.938 31.786 -41.307 1.00 62.13 H new ATOM 843 N GLU A 54 -6.277 27.579 -46.543 1.00 61.15 N ATOM 844 CA GLU A 54 -5.879 28.061 -47.861 1.00 30.20 C ATOM 845 C GLU A 54 -4.949 27.064 -48.547 1.00 11.11 C ATOM 846 O GLU A 54 -4.642 27.199 -49.732 1.00 22.55 O ATOM 847 CB GLU A 54 -5.189 29.422 -47.744 1.00 31.51 C ATOM 848 CG GLU A 54 -6.116 30.537 -47.290 1.00 22.21 C ATOM 849 CD GLU A 54 -6.327 31.591 -48.359 1.00 11.21 C ATOM 850 OE1 GLU A 54 -5.322 32.085 -48.912 1.00 25.44 O ATOM 851 OE2 GLU A 54 -7.497 31.923 -48.643 1.00 2.12 O ATOM 0 H GLU A 54 -5.557 27.666 -45.826 1.00 61.15 H new ATOM 0 HA GLU A 54 -6.779 28.169 -48.467 1.00 30.20 H new ATOM 0 HB2 GLU A 54 -4.360 29.341 -47.040 1.00 31.51 H new ATOM 0 HB3 GLU A 54 -4.761 29.687 -48.711 1.00 31.51 H new ATOM 0 HG2 GLU A 54 -7.079 30.112 -47.009 1.00 22.21 H new ATOM 0 HG3 GLU A 54 -5.703 31.007 -46.398 1.00 22.21 H new ATOM 858 N PHE A 55 -4.504 26.064 -47.793 1.00 43.23 N ATOM 859 CA PHE A 55 -3.608 25.045 -48.327 1.00 44.10 C ATOM 860 C PHE A 55 -4.146 23.646 -48.045 1.00 74.55 C ATOM 861 O PHE A 55 -4.197 23.191 -46.903 1.00 21.45 O ATOM 862 CB PHE A 55 -2.210 25.197 -47.722 1.00 53.13 C ATOM 863 CG PHE A 55 -1.254 25.950 -48.603 1.00 74.43 C ATOM 864 CD1 PHE A 55 -1.411 27.310 -48.815 1.00 30.11 C ATOM 865 CD2 PHE A 55 -0.200 25.296 -49.220 1.00 44.42 C ATOM 866 CE1 PHE A 55 -0.533 28.005 -49.625 1.00 0.53 C ATOM 867 CE2 PHE A 55 0.682 25.987 -50.031 1.00 33.34 C ATOM 868 CZ PHE A 55 0.514 27.343 -50.234 1.00 62.42 C ATOM 0 H PHE A 55 -4.749 25.938 -46.811 1.00 43.23 H new ATOM 0 HA PHE A 55 -3.546 25.181 -49.407 1.00 44.10 H new ATOM 0 HB2 PHE A 55 -2.291 25.711 -46.764 1.00 53.13 H new ATOM 0 HB3 PHE A 55 -1.801 24.207 -47.518 1.00 53.13 H new ATOM 0 HD1 PHE A 55 -2.229 27.833 -48.342 1.00 30.11 H new ATOM 0 HD2 PHE A 55 -0.066 24.235 -49.066 1.00 44.42 H new ATOM 0 HE1 PHE A 55 -0.666 29.065 -49.781 1.00 0.53 H new ATOM 0 HE2 PHE A 55 1.501 25.467 -50.505 1.00 33.34 H new ATOM 0 HZ PHE A 55 1.201 27.884 -50.868 1.00 62.42 H new ATOM 878 N PRO A 56 -4.560 22.946 -49.112 1.00 62.43 N ATOM 879 CA PRO A 56 -5.102 21.588 -49.007 1.00 34.15 C ATOM 880 C PRO A 56 -4.037 20.566 -48.626 1.00 21.30 C ATOM 881 O PRO A 56 -4.345 19.510 -48.074 1.00 51.25 O ATOM 882 CB PRO A 56 -5.634 21.308 -50.414 1.00 62.44 C ATOM 883 CG PRO A 56 -4.829 22.189 -51.306 1.00 24.13 C ATOM 884 CD PRO A 56 -4.529 23.425 -50.504 1.00 43.32 C ATOM 0 HA PRO A 56 -5.860 21.511 -48.227 1.00 34.15 H new ATOM 0 HB2 PRO A 56 -5.514 20.258 -50.681 1.00 62.44 H new ATOM 0 HB3 PRO A 56 -6.697 21.536 -50.488 1.00 62.44 H new ATOM 0 HG2 PRO A 56 -3.910 21.693 -51.618 1.00 24.13 H new ATOM 0 HG3 PRO A 56 -5.381 22.436 -52.213 1.00 24.13 H new ATOM 0 HD2 PRO A 56 -3.557 23.845 -50.762 1.00 43.32 H new ATOM 0 HD3 PRO A 56 -5.270 24.205 -50.677 1.00 43.32 H new ATOM 892 N ASN A 57 -2.782 20.887 -48.924 1.00 71.11 N ATOM 893 CA ASN A 57 -1.670 19.996 -48.613 1.00 35.42 C ATOM 894 C ASN A 57 -1.517 19.823 -47.105 1.00 35.23 C ATOM 895 O ASN A 57 -1.010 18.805 -46.635 1.00 2.24 O ATOM 896 CB ASN A 57 -0.371 20.540 -49.210 1.00 21.44 C ATOM 897 CG ASN A 57 0.154 19.674 -50.339 1.00 33.12 C ATOM 898 OD1 ASN A 57 0.286 20.129 -51.475 1.00 0.21 O ATOM 899 ND2 ASN A 57 0.455 18.418 -50.030 1.00 61.13 N ATOM 0 H ASN A 57 -2.510 21.758 -49.380 1.00 71.11 H new ATOM 0 HA ASN A 57 -1.884 19.022 -49.053 1.00 35.42 H new ATOM 0 HB2 ASN A 57 -0.540 21.551 -49.580 1.00 21.44 H new ATOM 0 HB3 ASN A 57 0.384 20.609 -48.427 1.00 21.44 H new ATOM 0 HD21 ASN A 57 0.812 17.788 -50.748 1.00 61.13 H new ATOM 0 HD22 ASN A 57 0.330 18.084 -49.075 1.00 61.13 H new ATOM 906 N ALA A 58 -1.961 20.824 -46.352 1.00 1.30 N ATOM 907 CA ALA A 58 -1.876 20.782 -44.897 1.00 40.44 C ATOM 908 C ALA A 58 -2.682 19.617 -44.334 1.00 24.31 C ATOM 909 O ALA A 58 -2.181 18.837 -43.523 1.00 71.44 O ATOM 910 CB ALA A 58 -2.359 22.097 -44.302 1.00 60.25 C ATOM 0 H ALA A 58 -2.383 21.674 -46.725 1.00 1.30 H new ATOM 0 HA ALA A 58 -0.832 20.634 -44.623 1.00 40.44 H new ATOM 0 HB1 ALA A 58 -2.290 22.052 -43.215 1.00 60.25 H new ATOM 0 HB2 ALA A 58 -1.738 22.913 -44.671 1.00 60.25 H new ATOM 0 HB3 ALA A 58 -3.395 22.269 -44.593 1.00 60.25 H new ATOM 916 N LYS A 59 -3.933 19.504 -44.767 1.00 65.23 N ATOM 917 CA LYS A 59 -4.809 18.433 -44.307 1.00 4.01 C ATOM 918 C LYS A 59 -4.353 17.084 -44.855 1.00 14.22 C ATOM 919 O LYS A 59 -4.437 16.066 -44.169 1.00 1.00 O ATOM 920 CB LYS A 59 -6.252 18.708 -44.734 1.00 51.11 C ATOM 921 CG LYS A 59 -6.409 18.952 -46.225 1.00 33.10 C ATOM 922 CD LYS A 59 -7.800 18.576 -46.708 1.00 13.52 C ATOM 923 CE LYS A 59 -7.816 17.193 -47.341 1.00 11.44 C ATOM 924 NZ LYS A 59 -8.895 16.337 -46.775 1.00 21.13 N ATOM 0 H LYS A 59 -4.363 20.142 -45.437 1.00 65.23 H new ATOM 0 HA LYS A 59 -4.759 18.399 -43.219 1.00 4.01 H new ATOM 0 HB2 LYS A 59 -6.875 17.862 -44.445 1.00 51.11 H new ATOM 0 HB3 LYS A 59 -6.623 19.577 -44.191 1.00 51.11 H new ATOM 0 HG2 LYS A 59 -6.218 20.002 -46.445 1.00 33.10 H new ATOM 0 HG3 LYS A 59 -5.664 18.372 -46.770 1.00 33.10 H new ATOM 0 HD2 LYS A 59 -8.496 18.602 -45.870 1.00 13.52 H new ATOM 0 HD3 LYS A 59 -8.146 19.313 -47.433 1.00 13.52 H new ATOM 0 HE2 LYS A 59 -7.955 17.288 -48.418 1.00 11.44 H new ATOM 0 HE3 LYS A 59 -6.851 16.711 -47.185 1.00 11.44 H new ATOM 0 HZ1 LYS A 59 -8.873 15.403 -47.232 1.00 21.13 H new ATOM 0 HZ2 LYS A 59 -8.748 16.225 -45.751 1.00 21.13 H new ATOM 0 HZ3 LYS A 59 -9.818 16.784 -46.946 1.00 21.13 H new ATOM 938 N GLU A 60 -3.871 17.086 -46.094 1.00 21.04 N ATOM 939 CA GLU A 60 -3.402 15.862 -46.732 1.00 31.53 C ATOM 940 C GLU A 60 -2.207 15.280 -45.981 1.00 52.04 C ATOM 941 O GLU A 60 -2.150 14.078 -45.718 1.00 50.11 O ATOM 942 CB GLU A 60 -3.020 16.133 -48.188 1.00 54.14 C ATOM 943 CG GLU A 60 -3.197 14.929 -49.098 1.00 51.35 C ATOM 944 CD GLU A 60 -1.884 14.437 -49.677 1.00 14.35 C ATOM 945 OE1 GLU A 60 -1.262 15.188 -50.457 1.00 1.34 O ATOM 946 OE2 GLU A 60 -1.480 13.302 -49.350 1.00 3.25 O ATOM 0 H GLU A 60 -3.795 17.921 -46.675 1.00 21.04 H new ATOM 0 HA GLU A 60 -4.214 15.136 -46.706 1.00 31.53 H new ATOM 0 HB2 GLU A 60 -3.626 16.956 -48.567 1.00 54.14 H new ATOM 0 HB3 GLU A 60 -1.980 16.458 -48.228 1.00 54.14 H new ATOM 0 HG2 GLU A 60 -3.668 14.121 -48.538 1.00 51.35 H new ATOM 0 HG3 GLU A 60 -3.874 15.190 -49.912 1.00 51.35 H new ATOM 953 N LEU A 61 -1.255 16.141 -45.640 1.00 64.24 N ATOM 954 CA LEU A 61 -0.060 15.714 -44.921 1.00 23.14 C ATOM 955 C LEU A 61 -0.393 15.358 -43.475 1.00 44.41 C ATOM 956 O LEU A 61 0.019 14.313 -42.971 1.00 71.00 O ATOM 957 CB LEU A 61 1.001 16.815 -44.956 1.00 3.35 C ATOM 958 CG LEU A 61 1.424 17.297 -46.344 1.00 75.20 C ATOM 959 CD1 LEU A 61 1.859 18.753 -46.294 1.00 41.04 C ATOM 960 CD2 LEU A 61 2.541 16.423 -46.895 1.00 34.51 C ATOM 0 H LEU A 61 -1.287 17.139 -45.850 1.00 64.24 H new ATOM 0 HA LEU A 61 0.332 14.824 -45.414 1.00 23.14 H new ATOM 0 HB2 LEU A 61 0.626 17.671 -44.395 1.00 3.35 H new ATOM 0 HB3 LEU A 61 1.887 16.455 -44.433 1.00 3.35 H new ATOM 0 HG LEU A 61 0.566 17.219 -47.012 1.00 75.20 H new ATOM 0 HD11 LEU A 61 2.156 19.078 -47.291 1.00 41.04 H new ATOM 0 HD12 LEU A 61 1.030 19.368 -45.944 1.00 41.04 H new ATOM 0 HD13 LEU A 61 2.702 18.858 -45.612 1.00 41.04 H new ATOM 0 HD21 LEU A 61 2.829 16.781 -47.883 1.00 34.51 H new ATOM 0 HD22 LEU A 61 3.402 16.469 -46.228 1.00 34.51 H new ATOM 0 HD23 LEU A 61 2.194 15.393 -46.969 1.00 34.51 H new ATOM 972 N CYS A 62 -1.142 16.234 -42.813 1.00 60.25 N ATOM 973 CA CYS A 62 -1.533 16.013 -41.426 1.00 64.45 C ATOM 974 C CYS A 62 -2.246 14.673 -41.269 1.00 61.23 C ATOM 975 O CYS A 62 -2.023 13.948 -40.299 1.00 43.32 O ATOM 976 CB CYS A 62 -2.440 17.146 -40.943 1.00 60.34 C ATOM 977 SG CYS A 62 -2.499 17.330 -39.132 1.00 10.10 S ATOM 0 H CYS A 62 -1.490 17.104 -43.215 1.00 60.25 H new ATOM 0 HA CYS A 62 -0.629 15.997 -40.818 1.00 64.45 H new ATOM 0 HB2 CYS A 62 -2.098 18.083 -41.382 1.00 60.34 H new ATOM 0 HB3 CYS A 62 -3.450 16.971 -41.313 1.00 60.34 H new ATOM 982 N PHE A 63 -3.105 14.350 -42.230 1.00 61.15 N ATOM 983 CA PHE A 63 -3.852 13.098 -42.199 1.00 60.12 C ATOM 984 C PHE A 63 -2.949 11.917 -42.542 1.00 25.24 C ATOM 985 O PHE A 63 -3.022 10.862 -41.912 1.00 11.33 O ATOM 986 CB PHE A 63 -5.027 13.156 -43.177 1.00 71.03 C ATOM 987 CG PHE A 63 -6.295 13.675 -42.561 1.00 61.41 C ATOM 988 CD1 PHE A 63 -6.374 14.979 -42.100 1.00 24.21 C ATOM 989 CD2 PHE A 63 -7.408 12.858 -42.443 1.00 22.35 C ATOM 990 CE1 PHE A 63 -7.539 15.459 -41.533 1.00 1.34 C ATOM 991 CE2 PHE A 63 -8.576 13.333 -41.877 1.00 23.24 C ATOM 992 CZ PHE A 63 -8.641 14.635 -41.420 1.00 30.31 C ATOM 0 H PHE A 63 -3.301 14.938 -43.040 1.00 61.15 H new ATOM 0 HA PHE A 63 -4.236 12.958 -41.188 1.00 60.12 H new ATOM 0 HB2 PHE A 63 -4.756 13.791 -44.021 1.00 71.03 H new ATOM 0 HB3 PHE A 63 -5.208 12.157 -43.575 1.00 71.03 H new ATOM 0 HD1 PHE A 63 -5.515 15.628 -42.185 1.00 24.21 H new ATOM 0 HD2 PHE A 63 -7.362 11.839 -42.797 1.00 22.35 H new ATOM 0 HE1 PHE A 63 -7.588 16.478 -41.178 1.00 1.34 H new ATOM 0 HE2 PHE A 63 -9.437 12.687 -41.792 1.00 23.24 H new ATOM 0 HZ PHE A 63 -9.552 15.008 -40.975 1.00 30.31 H new ATOM 1002 N ALA A 64 -2.097 12.102 -43.545 1.00 0.40 N ATOM 1003 CA ALA A 64 -1.178 11.054 -43.971 1.00 33.00 C ATOM 1004 C ALA A 64 -0.071 10.844 -42.944 1.00 22.10 C ATOM 1005 O ALA A 64 0.667 9.862 -43.006 1.00 23.35 O ATOM 1006 CB ALA A 64 -0.583 11.394 -45.330 1.00 33.44 C ATOM 0 H ALA A 64 -2.024 12.969 -44.078 1.00 0.40 H new ATOM 0 HA ALA A 64 -1.740 10.124 -44.055 1.00 33.00 H new ATOM 0 HB1 ALA A 64 0.101 10.603 -45.636 1.00 33.44 H new ATOM 0 HB2 ALA A 64 -1.383 11.486 -46.065 1.00 33.44 H new ATOM 0 HB3 ALA A 64 -0.041 12.337 -45.264 1.00 33.44 H new ATOM 1012 N ASN A 65 0.039 11.774 -42.001 1.00 24.22 N ATOM 1013 CA ASN A 65 1.058 11.691 -40.961 1.00 24.53 C ATOM 1014 C ASN A 65 1.095 10.295 -40.346 1.00 65.40 C ATOM 1015 O ASN A 65 0.055 9.713 -40.036 1.00 64.35 O ATOM 1016 CB ASN A 65 0.792 12.732 -39.872 1.00 42.43 C ATOM 1017 CG ASN A 65 -0.030 12.174 -38.726 1.00 43.45 C ATOM 1018 OD1 ASN A 65 -1.245 12.014 -38.840 1.00 40.11 O ATOM 1019 ND2 ASN A 65 0.632 11.876 -37.614 1.00 71.14 N ATOM 0 H ASN A 65 -0.565 12.594 -41.936 1.00 24.22 H new ATOM 0 HA ASN A 65 2.026 11.894 -41.419 1.00 24.53 H new ATOM 0 HB2 ASN A 65 1.742 13.102 -39.487 1.00 42.43 H new ATOM 0 HB3 ASN A 65 0.271 13.584 -40.308 1.00 42.43 H new ATOM 0 HD21 ASN A 65 0.133 11.498 -36.809 1.00 71.14 H new ATOM 0 HD22 ASN A 65 1.640 12.025 -37.565 1.00 71.14 H new ATOM 1026 N CYS A 66 2.301 9.763 -40.171 1.00 73.13 N ATOM 1027 CA CYS A 66 2.475 8.436 -39.594 1.00 21.24 C ATOM 1028 C CYS A 66 3.949 8.150 -39.323 1.00 25.10 C ATOM 1029 O CYS A 66 4.844 8.788 -39.880 1.00 34.45 O ATOM 1030 CB CYS A 66 1.901 7.370 -40.529 1.00 71.01 C ATOM 1031 SG CYS A 66 0.309 6.676 -39.978 1.00 3.32 S ATOM 0 H CYS A 66 3.172 10.231 -40.421 1.00 73.13 H new ATOM 0 HA CYS A 66 1.937 8.406 -38.647 1.00 21.24 H new ATOM 0 HB2 CYS A 66 1.772 7.803 -41.521 1.00 71.01 H new ATOM 0 HB3 CYS A 66 2.624 6.560 -40.626 1.00 71.01 H new ATOM 1036 N PRO A 67 4.211 7.168 -38.448 1.00 34.33 N ATOM 1037 CA PRO A 67 5.575 6.774 -38.084 1.00 32.24 C ATOM 1038 C PRO A 67 6.303 6.080 -39.229 1.00 61.44 C ATOM 1039 O PRO A 67 5.707 5.706 -40.240 1.00 42.51 O ATOM 1040 CB PRO A 67 5.365 5.804 -36.918 1.00 10.21 C ATOM 1041 CG PRO A 67 3.995 5.256 -37.123 1.00 60.02 C ATOM 1042 CD PRO A 67 3.194 6.366 -37.746 1.00 61.55 C ATOM 0 HA PRO A 67 6.195 7.635 -37.834 1.00 32.24 H new ATOM 0 HB2 PRO A 67 6.113 5.011 -36.923 1.00 10.21 H new ATOM 0 HB3 PRO A 67 5.448 6.315 -35.959 1.00 10.21 H new ATOM 0 HG2 PRO A 67 4.018 4.380 -37.771 1.00 60.02 H new ATOM 0 HG3 PRO A 67 3.555 4.941 -36.177 1.00 60.02 H new ATOM 0 HD2 PRO A 67 2.441 5.981 -38.434 1.00 61.55 H new ATOM 0 HD3 PRO A 67 2.668 6.953 -36.993 1.00 61.55 H new ATOM 1050 N PRO A 68 7.623 5.901 -39.071 1.00 30.22 N ATOM 1051 CA PRO A 68 8.461 5.249 -40.082 1.00 53.31 C ATOM 1052 C PRO A 68 8.173 3.756 -40.199 1.00 2.34 C ATOM 1053 O PRO A 68 7.674 3.135 -39.260 1.00 33.33 O ATOM 1054 CB PRO A 68 9.883 5.481 -39.567 1.00 44.42 C ATOM 1055 CG PRO A 68 9.730 5.652 -38.095 1.00 64.21 C ATOM 1056 CD PRO A 68 8.399 6.321 -37.892 1.00 20.52 C ATOM 0 HA PRO A 68 8.284 5.651 -41.079 1.00 53.31 H new ATOM 0 HB2 PRO A 68 10.532 4.637 -39.802 1.00 44.42 H new ATOM 0 HB3 PRO A 68 10.330 6.364 -40.024 1.00 44.42 H new ATOM 0 HG2 PRO A 68 9.765 4.689 -37.585 1.00 64.21 H new ATOM 0 HG3 PRO A 68 10.538 6.259 -37.687 1.00 64.21 H new ATOM 0 HD2 PRO A 68 7.925 6.000 -36.964 1.00 20.52 H new ATOM 0 HD3 PRO A 68 8.498 7.405 -37.841 1.00 20.52 H new ATOM 1064 N LEU A 69 8.492 3.186 -41.355 1.00 73.22 N ATOM 1065 CA LEU A 69 8.268 1.764 -41.594 1.00 41.23 C ATOM 1066 C LEU A 69 9.591 1.031 -41.796 1.00 15.31 C ATOM 1067 O LEU A 69 9.642 -0.004 -42.459 1.00 31.24 O ATOM 1068 CB LEU A 69 7.371 1.568 -42.818 1.00 23.42 C ATOM 1069 CG LEU A 69 7.594 2.540 -43.977 1.00 24.13 C ATOM 1070 CD1 LEU A 69 9.015 2.423 -44.506 1.00 24.22 C ATOM 1071 CD2 LEU A 69 6.587 2.285 -45.088 1.00 52.02 C ATOM 0 H LEU A 69 8.906 3.686 -42.142 1.00 73.22 H new ATOM 0 HA LEU A 69 7.773 1.347 -40.717 1.00 41.23 H new ATOM 0 HB2 LEU A 69 7.514 0.553 -43.189 1.00 23.42 H new ATOM 0 HB3 LEU A 69 6.332 1.648 -42.498 1.00 23.42 H new ATOM 0 HG LEU A 69 7.448 3.555 -43.608 1.00 24.13 H new ATOM 0 HD11 LEU A 69 9.155 3.122 -45.330 1.00 24.22 H new ATOM 0 HD12 LEU A 69 9.720 2.656 -43.709 1.00 24.22 H new ATOM 0 HD13 LEU A 69 9.189 1.407 -44.859 1.00 24.22 H new ATOM 0 HD21 LEU A 69 6.761 2.986 -45.904 1.00 52.02 H new ATOM 0 HD22 LEU A 69 6.701 1.265 -45.455 1.00 52.02 H new ATOM 0 HD23 LEU A 69 5.577 2.421 -44.702 1.00 52.02 H new ATOM 1083 N GLU A 70 10.657 1.575 -41.218 1.00 11.33 N ATOM 1084 CA GLU A 70 11.979 0.971 -41.333 1.00 41.44 C ATOM 1085 C GLU A 70 12.127 -0.203 -40.370 1.00 3.53 C ATOM 1086 O GLU A 70 11.283 -1.097 -40.331 1.00 50.23 O ATOM 1087 CB GLU A 70 13.066 2.013 -41.057 1.00 33.41 C ATOM 1088 CG GLU A 70 13.073 3.163 -42.049 1.00 52.14 C ATOM 1089 CD GLU A 70 14.405 3.886 -42.095 1.00 70.01 C ATOM 1090 OE1 GLU A 70 14.857 4.366 -41.035 1.00 14.42 O ATOM 1091 OE2 GLU A 70 14.996 3.971 -43.192 1.00 71.31 O ATOM 0 H GLU A 70 10.631 2.432 -40.666 1.00 11.33 H new ATOM 0 HA GLU A 70 12.093 0.599 -42.351 1.00 41.44 H new ATOM 0 HB2 GLU A 70 12.928 2.412 -40.052 1.00 33.41 H new ATOM 0 HB3 GLU A 70 14.040 1.523 -41.075 1.00 33.41 H new ATOM 0 HG2 GLU A 70 12.836 2.782 -43.042 1.00 52.14 H new ATOM 0 HG3 GLU A 70 12.288 3.871 -41.784 1.00 52.14 H new