USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 431 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 Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 180:sc= -0.571 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= -2.29 X(o=-2.3,f=-2.5!) USER MOD Single : A 25 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.0357) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -3.27! K(o=-3.3!,f=-2) USER MOD Single : A 34 SER OG : rot 180:sc= 0.127 USER MOD Single : A 38 THR OG1 : rot 180:sc= -7.3! USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -177:sc= -1.1 (180deg=-1.11) USER MOD Single : A 47 SER OG : rot -30:sc= 0.0979 USER MOD Single : A 49 GLN : amide:sc= -0.609 K(o=-0.61,f=-3.1) USER MOD Single : A 50 SER OG : rot 180:sc= -0.139 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= 0.103 X(o=0.1,f=-0.16) USER MOD Single : A 57 TYR OH : rot -74:sc= 1.16 USER MOD Single : A 59 GLN : amide:sc= -0.0683 X(o=-0.068,f=-0.049) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.156) USER MOD ----------------------------------------------------------------- ATOM 188 N PRO A 12 1.267 6.482 1.306 1.00 0.00 N ATOM 189 CA PRO A 12 0.834 5.373 0.432 1.00 0.00 C ATOM 190 C PRO A 12 0.356 4.176 1.255 1.00 0.00 C ATOM 191 O PRO A 12 0.652 4.052 2.428 1.00 0.00 O ATOM 192 CB PRO A 12 2.099 5.020 -0.341 1.00 0.00 C ATOM 193 CG PRO A 12 3.246 5.476 0.512 1.00 0.00 C ATOM 194 CD PRO A 12 2.711 6.414 1.571 1.00 0.00 C ATOM 0 HA PRO A 12 -0.003 5.645 -0.211 1.00 0.00 H new ATOM 0 HB2 PRO A 12 2.155 3.948 -0.529 1.00 0.00 H new ATOM 0 HB3 PRO A 12 2.114 5.515 -1.312 1.00 0.00 H new ATOM 0 HG2 PRO A 12 3.737 4.621 0.976 1.00 0.00 H new ATOM 0 HG3 PRO A 12 3.995 5.981 -0.098 1.00 0.00 H new ATOM 0 HD2 PRO A 12 2.913 6.037 2.574 1.00 0.00 H new ATOM 0 HD3 PRO A 12 3.174 7.398 1.500 1.00 0.00 H new ATOM 202 N SER A 13 -0.371 3.289 0.631 1.00 0.00 N ATOM 203 CA SER A 13 -0.869 2.075 1.339 1.00 0.00 C ATOM 204 C SER A 13 -0.259 0.835 0.688 1.00 0.00 C ATOM 205 O SER A 13 0.166 0.877 -0.452 1.00 0.00 O ATOM 206 CB SER A 13 -2.385 2.095 1.149 1.00 0.00 C ATOM 207 OG SER A 13 -2.999 2.592 2.332 1.00 0.00 O ATOM 0 H SER A 13 -0.644 3.355 -0.350 1.00 0.00 H new ATOM 0 HA SER A 13 -0.602 2.059 2.396 1.00 0.00 H new ATOM 0 HB2 SER A 13 -2.648 2.722 0.297 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.749 1.091 0.930 1.00 0.00 H new ATOM 0 HG SER A 13 -3.972 2.608 2.214 1.00 0.00 H new ATOM 213 N ALA A 14 -0.215 -0.268 1.391 1.00 0.00 N ATOM 214 CA ALA A 14 0.370 -1.507 0.792 1.00 0.00 C ATOM 215 C ALA A 14 -0.440 -1.921 -0.435 1.00 0.00 C ATOM 216 O ALA A 14 0.097 -2.067 -1.517 1.00 0.00 O ATOM 217 CB ALA A 14 0.284 -2.568 1.883 1.00 0.00 C ATOM 0 H ALA A 14 -0.556 -0.365 2.347 1.00 0.00 H new ATOM 0 HA ALA A 14 1.399 -1.361 0.463 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.697 -3.506 1.512 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.852 -2.241 2.754 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.758 -2.717 2.165 1.00 0.00 H new ATOM 223 N PHE A 15 -1.731 -2.107 -0.286 1.00 0.00 N ATOM 224 CA PHE A 15 -2.568 -2.504 -1.462 1.00 0.00 C ATOM 225 C PHE A 15 -2.468 -1.432 -2.552 1.00 0.00 C ATOM 226 O PHE A 15 -2.497 -1.730 -3.731 1.00 0.00 O ATOM 227 CB PHE A 15 -4.004 -2.603 -0.929 1.00 0.00 C ATOM 228 CG PHE A 15 -4.940 -3.009 -2.048 1.00 0.00 C ATOM 229 CD1 PHE A 15 -4.660 -4.141 -2.825 1.00 0.00 C ATOM 230 CD2 PHE A 15 -6.087 -2.249 -2.310 1.00 0.00 C ATOM 231 CE1 PHE A 15 -5.525 -4.512 -3.861 1.00 0.00 C ATOM 232 CE2 PHE A 15 -6.952 -2.621 -3.346 1.00 0.00 C ATOM 233 CZ PHE A 15 -6.671 -3.752 -4.121 1.00 0.00 C ATOM 0 H PHE A 15 -2.238 -2.002 0.593 1.00 0.00 H new ATOM 0 HA PHE A 15 -2.242 -3.446 -1.903 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -4.052 -3.332 -0.120 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -4.314 -1.644 -0.513 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -3.776 -4.728 -2.624 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -6.304 -1.376 -1.713 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -5.308 -5.384 -4.460 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -7.837 -2.035 -3.547 1.00 0.00 H new ATOM 0 HZ PHE A 15 -7.339 -4.038 -4.920 1.00 0.00 H new ATOM 243 N PHE A 16 -2.339 -0.188 -2.160 1.00 0.00 N ATOM 244 CA PHE A 16 -2.221 0.903 -3.170 1.00 0.00 C ATOM 245 C PHE A 16 -0.916 0.740 -3.939 1.00 0.00 C ATOM 246 O PHE A 16 -0.842 1.029 -5.117 1.00 0.00 O ATOM 247 CB PHE A 16 -2.223 2.212 -2.377 1.00 0.00 C ATOM 248 CG PHE A 16 -2.620 3.349 -3.288 1.00 0.00 C ATOM 249 CD1 PHE A 16 -1.692 3.876 -4.194 1.00 0.00 C ATOM 250 CD2 PHE A 16 -3.915 3.877 -3.227 1.00 0.00 C ATOM 251 CE1 PHE A 16 -2.059 4.930 -5.039 1.00 0.00 C ATOM 252 CE2 PHE A 16 -4.283 4.930 -4.073 1.00 0.00 C ATOM 253 CZ PHE A 16 -3.355 5.456 -4.978 1.00 0.00 C ATOM 0 H PHE A 16 -2.311 0.116 -1.187 1.00 0.00 H new ATOM 0 HA PHE A 16 -3.035 0.885 -3.894 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -2.918 2.142 -1.540 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -1.235 2.397 -1.956 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.693 3.469 -4.241 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -4.631 3.472 -2.527 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.343 5.337 -5.737 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -5.283 5.336 -4.027 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.639 6.269 -5.630 1.00 0.00 H new ATOM 263 N LEU A 17 0.105 0.242 -3.286 1.00 0.00 N ATOM 264 CA LEU A 17 1.399 0.017 -3.991 1.00 0.00 C ATOM 265 C LEU A 17 1.167 -1.079 -5.032 1.00 0.00 C ATOM 266 O LEU A 17 1.092 -0.807 -6.213 1.00 0.00 O ATOM 267 CB LEU A 17 2.376 -0.429 -2.902 1.00 0.00 C ATOM 268 CG LEU A 17 3.247 0.757 -2.466 1.00 0.00 C ATOM 269 CD1 LEU A 17 2.378 1.875 -1.873 1.00 0.00 C ATOM 270 CD2 LEU A 17 4.255 0.286 -1.413 1.00 0.00 C ATOM 0 H LEU A 17 0.096 -0.017 -2.299 1.00 0.00 H new ATOM 0 HA LEU A 17 1.789 0.894 -4.507 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.826 -0.822 -2.047 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.006 -1.237 -3.275 1.00 0.00 H new ATOM 0 HG LEU A 17 3.772 1.146 -3.338 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.013 2.707 -1.570 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.664 2.217 -2.622 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.839 1.495 -1.005 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.875 1.126 -1.101 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.721 -0.110 -0.550 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.887 -0.494 -1.838 1.00 0.00 H new ATOM 282 N PHE A 18 1.047 -2.316 -4.580 1.00 0.00 N ATOM 283 CA PHE A 18 0.796 -3.486 -5.504 1.00 0.00 C ATOM 284 C PHE A 18 -0.138 -3.073 -6.668 1.00 0.00 C ATOM 285 O PHE A 18 0.187 -3.269 -7.822 1.00 0.00 O ATOM 286 CB PHE A 18 0.143 -4.550 -4.602 1.00 0.00 C ATOM 287 CG PHE A 18 -0.370 -5.720 -5.419 1.00 0.00 C ATOM 288 CD1 PHE A 18 0.495 -6.760 -5.781 1.00 0.00 C ATOM 289 CD2 PHE A 18 -1.717 -5.767 -5.800 1.00 0.00 C ATOM 290 CE1 PHE A 18 0.013 -7.847 -6.523 1.00 0.00 C ATOM 291 CE2 PHE A 18 -2.198 -6.851 -6.544 1.00 0.00 C ATOM 292 CZ PHE A 18 -1.334 -7.892 -6.905 1.00 0.00 C ATOM 0 H PHE A 18 1.114 -2.568 -3.594 1.00 0.00 H new ATOM 0 HA PHE A 18 1.707 -3.856 -5.975 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.868 -4.904 -3.869 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.680 -4.103 -4.045 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.534 -6.725 -5.488 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.385 -4.966 -5.520 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.680 -8.650 -6.800 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -3.236 -6.884 -6.840 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.706 -8.729 -7.477 1.00 0.00 H new ATOM 302 N CYS A 19 -1.287 -2.508 -6.375 1.00 0.00 N ATOM 303 CA CYS A 19 -2.208 -2.091 -7.475 1.00 0.00 C ATOM 304 C CYS A 19 -1.561 -0.982 -8.315 1.00 0.00 C ATOM 305 O CYS A 19 -1.598 -1.015 -9.529 1.00 0.00 O ATOM 306 CB CYS A 19 -3.469 -1.573 -6.773 1.00 0.00 C ATOM 307 SG CYS A 19 -4.702 -1.072 -8.003 1.00 0.00 S ATOM 0 H CYS A 19 -1.622 -2.320 -5.430 1.00 0.00 H new ATOM 0 HA CYS A 19 -2.435 -2.912 -8.155 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -3.881 -2.349 -6.128 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -3.217 -0.727 -6.133 1.00 0.00 H new ATOM 0 HG CYS A 19 -5.767 -0.637 -7.398 1.00 0.00 H new ATOM 313 N SER A 20 -0.979 0.003 -7.674 1.00 0.00 N ATOM 314 CA SER A 20 -0.341 1.131 -8.431 1.00 0.00 C ATOM 315 C SER A 20 0.671 0.612 -9.460 1.00 0.00 C ATOM 316 O SER A 20 0.925 1.261 -10.459 1.00 0.00 O ATOM 317 CB SER A 20 0.366 1.982 -7.376 1.00 0.00 C ATOM 318 OG SER A 20 1.169 2.959 -8.025 1.00 0.00 O ATOM 0 H SER A 20 -0.917 0.076 -6.659 1.00 0.00 H new ATOM 0 HA SER A 20 -1.085 1.700 -8.989 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.367 2.467 -6.731 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.985 1.351 -6.737 1.00 0.00 H new ATOM 0 HG SER A 20 1.623 3.508 -7.352 1.00 0.00 H new ATOM 324 N GLU A 21 1.255 -0.542 -9.232 1.00 0.00 N ATOM 325 CA GLU A 21 2.250 -1.074 -10.212 1.00 0.00 C ATOM 326 C GLU A 21 1.589 -2.065 -11.178 1.00 0.00 C ATOM 327 O GLU A 21 2.070 -2.269 -12.277 1.00 0.00 O ATOM 328 CB GLU A 21 3.346 -1.751 -9.377 1.00 0.00 C ATOM 329 CG GLU A 21 2.759 -2.899 -8.557 1.00 0.00 C ATOM 330 CD GLU A 21 3.879 -3.861 -8.154 1.00 0.00 C ATOM 331 OE1 GLU A 21 4.513 -3.610 -7.143 1.00 0.00 O ATOM 332 OE2 GLU A 21 4.082 -4.832 -8.864 1.00 0.00 O ATOM 0 H GLU A 21 1.086 -1.132 -8.417 1.00 0.00 H new ATOM 0 HA GLU A 21 2.666 -0.279 -10.831 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.131 -2.128 -10.033 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.809 -1.021 -8.713 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.262 -2.509 -7.668 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.003 -3.427 -9.139 1.00 0.00 H new ATOM 339 N HIS A 22 0.491 -2.677 -10.794 1.00 0.00 N ATOM 340 CA HIS A 22 -0.192 -3.643 -11.713 1.00 0.00 C ATOM 341 C HIS A 22 -1.431 -2.994 -12.352 1.00 0.00 C ATOM 342 O HIS A 22 -2.294 -3.678 -12.871 1.00 0.00 O ATOM 343 CB HIS A 22 -0.626 -4.805 -10.817 1.00 0.00 C ATOM 344 CG HIS A 22 0.571 -5.614 -10.404 1.00 0.00 C ATOM 345 ND1 HIS A 22 1.304 -6.368 -11.307 1.00 0.00 N ATOM 346 CD2 HIS A 22 1.165 -5.813 -9.182 1.00 0.00 C ATOM 347 CE1 HIS A 22 2.286 -6.981 -10.620 1.00 0.00 C ATOM 348 NE2 HIS A 22 2.247 -6.675 -9.321 1.00 0.00 N ATOM 0 H HIS A 22 0.041 -2.549 -9.888 1.00 0.00 H new ATOM 0 HA HIS A 22 0.463 -3.961 -12.524 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -1.138 -4.422 -9.934 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -1.337 -5.438 -11.348 1.00 0.00 H new ATOM 0 HD2 HIS A 22 0.841 -5.367 -8.253 1.00 0.00 H new ATOM 0 HE1 HIS A 22 3.016 -7.640 -11.065 1.00 0.00 H new ATOM 0 HE2 HIS A 22 2.876 -7.003 -8.588 1.00 0.00 H new ATOM 356 N ARG A 23 -1.531 -1.687 -12.311 1.00 0.00 N ATOM 357 CA ARG A 23 -2.716 -0.999 -12.907 1.00 0.00 C ATOM 358 C ARG A 23 -2.531 -0.740 -14.418 1.00 0.00 C ATOM 359 O ARG A 23 -3.452 -0.967 -15.176 1.00 0.00 O ATOM 360 CB ARG A 23 -2.848 0.317 -12.135 1.00 0.00 C ATOM 361 CG ARG A 23 -4.248 0.897 -12.351 1.00 0.00 C ATOM 362 CD ARG A 23 -4.399 2.184 -11.537 1.00 0.00 C ATOM 363 NE ARG A 23 -4.497 1.734 -10.121 1.00 0.00 N ATOM 364 CZ ARG A 23 -5.179 2.437 -9.258 1.00 0.00 C ATOM 365 NH1 ARG A 23 -4.695 3.561 -8.805 1.00 0.00 N ATOM 366 NH2 ARG A 23 -6.343 2.015 -8.847 1.00 0.00 N ATOM 0 H ARG A 23 -0.840 -1.067 -11.889 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.613 -1.614 -12.825 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.673 0.147 -11.073 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.093 1.027 -12.473 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.409 1.103 -13.409 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -5.004 0.172 -12.049 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.545 2.846 -11.683 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -5.288 2.739 -11.837 1.00 0.00 H new ATOM 0 HE ARG A 23 -4.031 0.876 -9.825 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -3.784 3.890 -9.125 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -5.228 4.111 -8.131 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -6.720 1.136 -9.200 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -6.876 2.564 -8.173 1.00 0.00 H new ATOM 380 N PRO A 24 -1.363 -0.273 -14.829 1.00 0.00 N ATOM 381 CA PRO A 24 -1.146 -0.006 -16.274 1.00 0.00 C ATOM 382 C PRO A 24 -0.925 -1.314 -17.050 1.00 0.00 C ATOM 383 O PRO A 24 -0.905 -1.317 -18.266 1.00 0.00 O ATOM 384 CB PRO A 24 0.108 0.861 -16.301 1.00 0.00 C ATOM 385 CG PRO A 24 0.845 0.531 -15.044 1.00 0.00 C ATOM 386 CD PRO A 24 -0.163 0.045 -14.033 1.00 0.00 C ATOM 0 HA PRO A 24 -2.003 0.477 -16.744 1.00 0.00 H new ATOM 0 HB2 PRO A 24 0.715 0.646 -17.180 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -0.147 1.920 -16.340 1.00 0.00 H new ATOM 0 HG2 PRO A 24 1.597 -0.235 -15.232 1.00 0.00 H new ATOM 0 HG3 PRO A 24 1.371 1.409 -14.668 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.202 -0.832 -13.499 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.374 0.809 -13.285 1.00 0.00 H new ATOM 394 N LYS A 25 -0.766 -2.423 -16.363 1.00 0.00 N ATOM 395 CA LYS A 25 -0.555 -3.721 -17.070 1.00 0.00 C ATOM 396 C LYS A 25 -1.905 -4.321 -17.467 1.00 0.00 C ATOM 397 O LYS A 25 -2.027 -4.977 -18.485 1.00 0.00 O ATOM 398 CB LYS A 25 0.154 -4.617 -16.053 1.00 0.00 C ATOM 399 CG LYS A 25 0.594 -5.912 -16.734 1.00 0.00 C ATOM 400 CD LYS A 25 1.678 -6.589 -15.893 1.00 0.00 C ATOM 401 CE LYS A 25 2.538 -7.482 -16.790 1.00 0.00 C ATOM 402 NZ LYS A 25 3.549 -6.565 -17.386 1.00 0.00 N ATOM 0 H LYS A 25 -0.774 -2.481 -15.345 1.00 0.00 H new ATOM 0 HA LYS A 25 0.028 -3.608 -17.984 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.019 -4.100 -15.638 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.514 -4.840 -15.221 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.259 -6.580 -16.853 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.974 -5.699 -17.733 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.300 -5.836 -15.408 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.221 -7.183 -15.102 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.015 -8.277 -16.216 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.937 -7.963 -17.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 3.799 -6.896 -18.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.154 -5.605 -17.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.401 -6.553 -16.790 1.00 0.00 H new ATOM 416 N ILE A 26 -2.919 -4.097 -16.670 1.00 0.00 N ATOM 417 CA ILE A 26 -4.270 -4.648 -16.993 1.00 0.00 C ATOM 418 C ILE A 26 -4.943 -3.810 -18.089 1.00 0.00 C ATOM 419 O ILE A 26 -5.869 -4.259 -18.734 1.00 0.00 O ATOM 420 CB ILE A 26 -5.071 -4.559 -15.686 1.00 0.00 C ATOM 421 CG1 ILE A 26 -4.359 -5.356 -14.578 1.00 0.00 C ATOM 422 CG2 ILE A 26 -6.486 -5.118 -15.900 1.00 0.00 C ATOM 423 CD1 ILE A 26 -4.231 -6.830 -14.980 1.00 0.00 C ATOM 0 H ILE A 26 -2.869 -3.555 -15.807 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.211 -5.671 -17.365 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.141 -3.514 -15.385 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.370 -4.935 -14.396 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -4.917 -5.274 -13.646 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.048 -5.052 -14.969 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.993 -4.539 -16.672 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -6.422 -6.161 -16.212 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.726 -7.381 -14.187 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.224 -7.251 -15.139 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.653 -6.907 -15.901 1.00 0.00 H new ATOM 435 N LYS A 27 -4.485 -2.600 -18.308 1.00 0.00 N ATOM 436 CA LYS A 27 -5.102 -1.741 -19.365 1.00 0.00 C ATOM 437 C LYS A 27 -4.668 -2.205 -20.762 1.00 0.00 C ATOM 438 O LYS A 27 -5.302 -1.883 -21.749 1.00 0.00 O ATOM 439 CB LYS A 27 -4.589 -0.328 -19.078 1.00 0.00 C ATOM 440 CG LYS A 27 -5.345 0.251 -17.881 1.00 0.00 C ATOM 441 CD LYS A 27 -5.122 1.763 -17.817 1.00 0.00 C ATOM 442 CE LYS A 27 -6.271 2.417 -17.045 1.00 0.00 C ATOM 443 NZ LYS A 27 -5.794 3.795 -16.743 1.00 0.00 N ATOM 0 H LYS A 27 -3.711 -2.172 -17.800 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.191 -1.790 -19.348 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.519 -0.352 -18.870 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.729 0.307 -19.953 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.409 0.034 -17.970 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.000 -0.217 -16.959 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.172 1.981 -17.329 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -5.065 2.176 -18.824 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.185 2.436 -17.638 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.496 1.868 -16.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.528 4.308 -16.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.926 3.745 -16.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.594 4.296 -17.632 1.00 0.00 H new ATOM 457 N SER A 28 -3.597 -2.957 -20.853 1.00 0.00 N ATOM 458 CA SER A 28 -3.129 -3.441 -22.188 1.00 0.00 C ATOM 459 C SER A 28 -4.023 -4.585 -22.677 1.00 0.00 C ATOM 460 O SER A 28 -4.384 -4.649 -23.837 1.00 0.00 O ATOM 461 CB SER A 28 -1.701 -3.937 -21.957 1.00 0.00 C ATOM 462 OG SER A 28 -0.797 -2.849 -22.096 1.00 0.00 O ATOM 0 H SER A 28 -3.028 -3.256 -20.061 1.00 0.00 H new ATOM 0 HA SER A 28 -3.168 -2.659 -22.946 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.612 -4.374 -20.962 1.00 0.00 H new ATOM 0 HB3 SER A 28 -1.456 -4.722 -22.673 1.00 0.00 H new ATOM 0 HG SER A 28 0.119 -3.164 -21.947 1.00 0.00 H new ATOM 468 N GLU A 29 -4.381 -5.485 -21.796 1.00 0.00 N ATOM 469 CA GLU A 29 -5.254 -6.630 -22.199 1.00 0.00 C ATOM 470 C GLU A 29 -6.735 -6.324 -21.918 1.00 0.00 C ATOM 471 O GLU A 29 -7.592 -7.165 -22.119 1.00 0.00 O ATOM 472 CB GLU A 29 -4.782 -7.804 -21.341 1.00 0.00 C ATOM 473 CG GLU A 29 -3.386 -8.237 -21.791 1.00 0.00 C ATOM 474 CD GLU A 29 -3.060 -9.609 -21.199 1.00 0.00 C ATOM 475 OE1 GLU A 29 -3.719 -10.565 -21.573 1.00 0.00 O ATOM 476 OE2 GLU A 29 -2.157 -9.681 -20.382 1.00 0.00 O ATOM 0 H GLU A 29 -4.106 -5.476 -20.814 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.180 -6.837 -23.267 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.764 -7.516 -20.290 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -5.479 -8.637 -21.431 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.340 -8.279 -22.879 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.645 -7.505 -21.469 1.00 0.00 H new ATOM 483 N HIS A 30 -7.047 -5.130 -21.464 1.00 0.00 N ATOM 484 CA HIS A 30 -8.473 -4.778 -21.184 1.00 0.00 C ATOM 485 C HIS A 30 -8.701 -3.280 -21.426 1.00 0.00 C ATOM 486 O HIS A 30 -8.670 -2.495 -20.497 1.00 0.00 O ATOM 487 CB HIS A 30 -8.708 -5.119 -19.709 1.00 0.00 C ATOM 488 CG HIS A 30 -8.475 -6.586 -19.475 1.00 0.00 C ATOM 489 ND1 HIS A 30 -9.502 -7.516 -19.520 1.00 0.00 N ATOM 490 CD2 HIS A 30 -7.339 -7.295 -19.181 1.00 0.00 C ATOM 491 CE1 HIS A 30 -8.966 -8.722 -19.258 1.00 0.00 C ATOM 492 NE2 HIS A 30 -7.649 -8.644 -19.044 1.00 0.00 N ATOM 0 H HIS A 30 -6.374 -4.387 -21.276 1.00 0.00 H new ATOM 0 HA HIS A 30 -9.158 -5.323 -21.833 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -8.038 -4.532 -19.081 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -9.726 -4.854 -19.424 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.352 -6.870 -19.072 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -9.531 -9.642 -19.225 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -7.010 -9.408 -18.827 1.00 0.00 H new ATOM 500 N PRO A 31 -8.928 -2.919 -22.670 1.00 0.00 N ATOM 501 CA PRO A 31 -9.167 -1.492 -23.008 1.00 0.00 C ATOM 502 C PRO A 31 -10.499 -1.026 -22.416 1.00 0.00 C ATOM 503 O PRO A 31 -11.560 -1.388 -22.890 1.00 0.00 O ATOM 504 CB PRO A 31 -9.210 -1.489 -24.535 1.00 0.00 C ATOM 505 CG PRO A 31 -9.596 -2.884 -24.907 1.00 0.00 C ATOM 506 CD PRO A 31 -8.989 -3.780 -23.862 1.00 0.00 C ATOM 0 HA PRO A 31 -8.407 -0.819 -22.611 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -9.934 -0.765 -24.909 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -8.242 -1.220 -24.958 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -10.680 -2.994 -24.932 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -9.226 -3.138 -25.900 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -9.600 -4.666 -23.687 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -7.999 -4.129 -24.157 1.00 0.00 H new ATOM 514 N GLY A 32 -10.448 -0.230 -21.377 1.00 0.00 N ATOM 515 CA GLY A 32 -11.706 0.260 -20.740 1.00 0.00 C ATOM 516 C GLY A 32 -11.813 -0.284 -19.308 1.00 0.00 C ATOM 517 O GLY A 32 -12.551 0.241 -18.498 1.00 0.00 O ATOM 0 H GLY A 32 -9.587 0.102 -20.943 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.716 1.350 -20.726 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -12.568 -0.059 -21.325 1.00 0.00 H new ATOM 521 N LEU A 33 -11.096 -1.344 -18.998 1.00 0.00 N ATOM 522 CA LEU A 33 -11.153 -1.954 -17.624 1.00 0.00 C ATOM 523 C LEU A 33 -11.103 -0.895 -16.517 1.00 0.00 C ATOM 524 O LEU A 33 -10.096 -0.251 -16.293 1.00 0.00 O ATOM 525 CB LEU A 33 -9.926 -2.870 -17.546 1.00 0.00 C ATOM 526 CG LEU A 33 -10.273 -4.177 -16.816 1.00 0.00 C ATOM 527 CD1 LEU A 33 -10.696 -3.867 -15.381 1.00 0.00 C ATOM 528 CD2 LEU A 33 -11.415 -4.904 -17.538 1.00 0.00 C ATOM 0 H LEU A 33 -10.467 -1.818 -19.646 1.00 0.00 H new ATOM 0 HA LEU A 33 -12.090 -2.491 -17.473 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.567 -3.093 -18.551 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.117 -2.359 -17.024 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.392 -4.819 -16.809 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.942 -4.795 -14.865 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.879 -3.368 -14.860 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.570 -3.216 -15.392 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.650 -5.828 -17.009 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -12.297 -4.264 -17.560 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.110 -5.137 -18.558 1.00 0.00 H new ATOM 540 N SER A 34 -12.200 -0.730 -15.832 1.00 0.00 N ATOM 541 CA SER A 34 -12.270 0.269 -14.726 1.00 0.00 C ATOM 542 C SER A 34 -11.548 -0.269 -13.487 1.00 0.00 C ATOM 543 O SER A 34 -10.829 -1.248 -13.556 1.00 0.00 O ATOM 544 CB SER A 34 -13.766 0.444 -14.439 1.00 0.00 C ATOM 545 OG SER A 34 -14.448 -0.787 -14.658 1.00 0.00 O ATOM 0 H SER A 34 -13.062 -1.251 -15.993 1.00 0.00 H new ATOM 0 HA SER A 34 -11.794 1.213 -14.991 1.00 0.00 H new ATOM 0 HB2 SER A 34 -13.912 0.773 -13.410 1.00 0.00 H new ATOM 0 HB3 SER A 34 -14.181 1.219 -15.083 1.00 0.00 H new ATOM 0 HG SER A 34 -15.403 -0.670 -14.471 1.00 0.00 H new ATOM 551 N ILE A 35 -11.739 0.363 -12.356 1.00 0.00 N ATOM 552 CA ILE A 35 -11.070 -0.108 -11.104 1.00 0.00 C ATOM 553 C ILE A 35 -11.965 -1.117 -10.363 1.00 0.00 C ATOM 554 O ILE A 35 -11.771 -1.377 -9.191 1.00 0.00 O ATOM 555 CB ILE A 35 -10.873 1.157 -10.259 1.00 0.00 C ATOM 556 CG1 ILE A 35 -10.054 2.198 -11.042 1.00 0.00 C ATOM 557 CG2 ILE A 35 -10.141 0.803 -8.960 1.00 0.00 C ATOM 558 CD1 ILE A 35 -8.680 1.626 -11.415 1.00 0.00 C ATOM 0 H ILE A 35 -12.331 1.187 -12.245 1.00 0.00 H new ATOM 0 HA ILE A 35 -10.127 -0.615 -11.309 1.00 0.00 H new ATOM 0 HB ILE A 35 -11.851 1.577 -10.024 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -10.591 2.489 -11.945 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.929 3.099 -10.441 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.003 1.704 -8.363 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -10.730 0.080 -8.396 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -9.168 0.372 -9.196 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.112 2.374 -11.968 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.139 1.358 -10.508 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.811 0.739 -12.034 1.00 0.00 H new ATOM 570 N GLY A 36 -12.938 -1.687 -11.034 1.00 0.00 N ATOM 571 CA GLY A 36 -13.837 -2.674 -10.365 1.00 0.00 C ATOM 572 C GLY A 36 -13.320 -4.091 -10.622 1.00 0.00 C ATOM 573 O GLY A 36 -13.037 -4.832 -9.699 1.00 0.00 O ATOM 0 H GLY A 36 -13.146 -1.510 -12.017 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -13.876 -2.478 -9.293 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -14.854 -2.572 -10.745 1.00 0.00 H new ATOM 577 N ASP A 37 -13.196 -4.472 -11.870 1.00 0.00 N ATOM 578 CA ASP A 37 -12.698 -5.843 -12.190 1.00 0.00 C ATOM 579 C ASP A 37 -11.224 -5.964 -11.803 1.00 0.00 C ATOM 580 O ASP A 37 -10.836 -6.869 -11.088 1.00 0.00 O ATOM 581 CB ASP A 37 -12.874 -5.996 -13.702 1.00 0.00 C ATOM 582 CG ASP A 37 -14.361 -6.160 -14.027 1.00 0.00 C ATOM 583 OD1 ASP A 37 -14.925 -7.168 -13.636 1.00 0.00 O ATOM 584 OD2 ASP A 37 -14.908 -5.274 -14.661 1.00 0.00 O ATOM 0 H ASP A 37 -13.418 -3.892 -12.679 1.00 0.00 H new ATOM 0 HA ASP A 37 -13.238 -6.617 -11.644 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -12.472 -5.123 -14.216 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -12.315 -6.861 -14.059 1.00 0.00 H new ATOM 589 N THR A 38 -10.397 -5.060 -12.273 1.00 0.00 N ATOM 590 CA THR A 38 -8.936 -5.119 -11.936 1.00 0.00 C ATOM 591 C THR A 38 -8.745 -5.130 -10.411 1.00 0.00 C ATOM 592 O THR A 38 -7.960 -5.896 -9.885 1.00 0.00 O ATOM 593 CB THR A 38 -8.331 -3.851 -12.583 1.00 0.00 C ATOM 594 OG1 THR A 38 -8.352 -3.976 -14.004 1.00 0.00 O ATOM 595 CG2 THR A 38 -6.882 -3.649 -12.124 1.00 0.00 C ATOM 0 H THR A 38 -10.669 -4.283 -12.876 1.00 0.00 H new ATOM 0 HA THR A 38 -8.450 -6.022 -12.306 1.00 0.00 H new ATOM 0 HB THR A 38 -8.928 -2.992 -12.275 1.00 0.00 H new ATOM 0 HG1 THR A 38 -7.969 -3.170 -14.409 1.00 0.00 H new ATOM 0 HG21 THR A 38 -6.474 -2.752 -12.590 1.00 0.00 H new ATOM 0 HG22 THR A 38 -6.856 -3.538 -11.040 1.00 0.00 H new ATOM 0 HG23 THR A 38 -6.284 -4.513 -12.415 1.00 0.00 H new ATOM 603 N ALA A 39 -9.468 -4.299 -9.707 1.00 0.00 N ATOM 604 CA ALA A 39 -9.343 -4.273 -8.218 1.00 0.00 C ATOM 605 C ALA A 39 -9.789 -5.620 -7.645 1.00 0.00 C ATOM 606 O ALA A 39 -9.330 -6.044 -6.601 1.00 0.00 O ATOM 607 CB ALA A 39 -10.274 -3.153 -7.749 1.00 0.00 C ATOM 0 H ALA A 39 -10.139 -3.638 -10.097 1.00 0.00 H new ATOM 0 HA ALA A 39 -8.318 -4.100 -7.889 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -10.233 -3.077 -6.662 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -9.958 -2.208 -8.191 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -11.295 -3.375 -8.059 1.00 0.00 H new ATOM 613 N LYS A 40 -10.675 -6.298 -8.332 1.00 0.00 N ATOM 614 CA LYS A 40 -11.149 -7.625 -7.847 1.00 0.00 C ATOM 615 C LYS A 40 -10.103 -8.697 -8.162 1.00 0.00 C ATOM 616 O LYS A 40 -10.012 -9.701 -7.482 1.00 0.00 O ATOM 617 CB LYS A 40 -12.446 -7.896 -8.613 1.00 0.00 C ATOM 618 CG LYS A 40 -13.633 -7.363 -7.809 1.00 0.00 C ATOM 619 CD LYS A 40 -14.895 -8.146 -8.179 1.00 0.00 C ATOM 620 CE LYS A 40 -15.995 -7.854 -7.156 1.00 0.00 C ATOM 621 NZ LYS A 40 -16.874 -9.057 -7.181 1.00 0.00 N ATOM 0 H LYS A 40 -11.090 -5.986 -9.210 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.310 -7.639 -6.769 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -12.410 -7.416 -9.591 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -12.562 -8.966 -8.787 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -13.434 -7.457 -6.741 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -13.777 -6.302 -8.014 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -15.229 -7.867 -9.178 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -14.679 -9.214 -8.202 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -15.577 -7.691 -6.163 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -16.550 -6.954 -7.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -17.653 -8.932 -6.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -17.263 -9.183 -8.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -16.320 -9.897 -6.919 1.00 0.00 H new ATOM 635 N LYS A 41 -9.308 -8.488 -9.185 1.00 0.00 N ATOM 636 CA LYS A 41 -8.260 -9.493 -9.542 1.00 0.00 C ATOM 637 C LYS A 41 -6.931 -9.136 -8.866 1.00 0.00 C ATOM 638 O LYS A 41 -6.112 -9.995 -8.597 1.00 0.00 O ATOM 639 CB LYS A 41 -8.129 -9.404 -11.063 1.00 0.00 C ATOM 640 CG LYS A 41 -9.193 -10.285 -11.719 1.00 0.00 C ATOM 641 CD LYS A 41 -9.011 -10.260 -13.238 1.00 0.00 C ATOM 642 CE LYS A 41 -7.841 -11.167 -13.626 1.00 0.00 C ATOM 643 NZ LYS A 41 -7.500 -10.775 -15.022 1.00 0.00 N ATOM 0 H LYS A 41 -9.341 -7.665 -9.787 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.523 -10.498 -9.213 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.246 -8.370 -11.389 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.134 -9.725 -11.372 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.112 -11.307 -11.349 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -10.189 -9.928 -11.455 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.924 -10.595 -13.730 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.823 -9.241 -13.576 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.992 -11.025 -12.957 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.120 -12.219 -13.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.705 -11.353 -15.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.325 -10.927 -15.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.232 -9.770 -15.045 1.00 0.00 H new ATOM 657 N LEU A 42 -6.724 -7.876 -8.574 1.00 0.00 N ATOM 658 CA LEU A 42 -5.461 -7.454 -7.897 1.00 0.00 C ATOM 659 C LEU A 42 -5.551 -7.798 -6.412 1.00 0.00 C ATOM 660 O LEU A 42 -4.741 -8.536 -5.885 1.00 0.00 O ATOM 661 CB LEU A 42 -5.393 -5.940 -8.092 1.00 0.00 C ATOM 662 CG LEU A 42 -4.424 -5.609 -9.226 1.00 0.00 C ATOM 663 CD1 LEU A 42 -4.988 -6.118 -10.553 1.00 0.00 C ATOM 664 CD2 LEU A 42 -4.248 -4.097 -9.297 1.00 0.00 C ATOM 0 H LEU A 42 -7.378 -7.120 -8.776 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.578 -7.950 -8.299 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.384 -5.549 -8.322 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.066 -5.459 -7.170 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.463 -6.088 -9.040 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.294 -5.880 -11.359 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.125 -7.198 -10.500 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.948 -5.640 -10.748 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.558 -3.848 -10.103 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.213 -3.627 -9.487 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.847 -3.733 -8.351 1.00 0.00 H new ATOM 676 N GLY A 43 -6.547 -7.274 -5.736 1.00 0.00 N ATOM 677 CA GLY A 43 -6.723 -7.573 -4.279 1.00 0.00 C ATOM 678 C GLY A 43 -6.727 -9.092 -4.065 1.00 0.00 C ATOM 679 O GLY A 43 -6.360 -9.579 -3.012 1.00 0.00 O ATOM 0 H GLY A 43 -7.248 -6.649 -6.133 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.918 -7.116 -3.703 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.657 -7.142 -3.919 1.00 0.00 H new ATOM 683 N GLU A 44 -7.109 -9.839 -5.074 1.00 0.00 N ATOM 684 CA GLU A 44 -7.101 -11.324 -4.951 1.00 0.00 C ATOM 685 C GLU A 44 -5.650 -11.801 -4.979 1.00 0.00 C ATOM 686 O GLU A 44 -5.257 -12.675 -4.228 1.00 0.00 O ATOM 687 CB GLU A 44 -7.865 -11.843 -6.170 1.00 0.00 C ATOM 688 CG GLU A 44 -7.984 -13.366 -6.088 1.00 0.00 C ATOM 689 CD GLU A 44 -8.797 -13.882 -7.278 1.00 0.00 C ATOM 690 OE1 GLU A 44 -8.264 -13.887 -8.376 1.00 0.00 O ATOM 691 OE2 GLU A 44 -9.938 -14.261 -7.072 1.00 0.00 O ATOM 0 H GLU A 44 -7.425 -9.481 -5.975 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.559 -11.679 -4.028 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.856 -11.392 -6.210 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.347 -11.557 -7.086 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.993 -13.819 -6.088 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -8.466 -13.654 -5.153 1.00 0.00 H new ATOM 698 N MET A 45 -4.847 -11.214 -5.834 1.00 0.00 N ATOM 699 CA MET A 45 -3.410 -11.607 -5.913 1.00 0.00 C ATOM 700 C MET A 45 -2.643 -10.966 -4.755 1.00 0.00 C ATOM 701 O MET A 45 -1.814 -11.598 -4.132 1.00 0.00 O ATOM 702 CB MET A 45 -2.914 -11.062 -7.253 1.00 0.00 C ATOM 703 CG MET A 45 -3.256 -12.055 -8.367 1.00 0.00 C ATOM 704 SD MET A 45 -2.476 -11.521 -9.910 1.00 0.00 S ATOM 705 CE MET A 45 -3.601 -10.152 -10.272 1.00 0.00 C ATOM 0 H MET A 45 -5.129 -10.478 -6.481 1.00 0.00 H new ATOM 0 HA MET A 45 -3.267 -12.685 -5.844 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.376 -10.096 -7.458 1.00 0.00 H new ATOM 0 HB3 MET A 45 -1.837 -10.899 -7.215 1.00 0.00 H new ATOM 0 HG2 MET A 45 -2.910 -13.053 -8.098 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.337 -12.116 -8.495 1.00 0.00 H new ATOM 0 HE1 MET A 45 -3.332 -9.703 -11.228 1.00 0.00 H new ATOM 0 HE2 MET A 45 -4.624 -10.525 -10.321 1.00 0.00 H new ATOM 0 HE3 MET A 45 -3.526 -9.401 -9.485 1.00 0.00 H new ATOM 715 N TRP A 46 -2.930 -9.720 -4.446 1.00 0.00 N ATOM 716 CA TRP A 46 -2.230 -9.030 -3.305 1.00 0.00 C ATOM 717 C TRP A 46 -2.317 -9.896 -2.040 1.00 0.00 C ATOM 718 O TRP A 46 -1.331 -10.122 -1.364 1.00 0.00 O ATOM 719 CB TRP A 46 -2.980 -7.700 -3.123 1.00 0.00 C ATOM 720 CG TRP A 46 -2.460 -6.977 -1.921 1.00 0.00 C ATOM 721 CD1 TRP A 46 -3.205 -6.579 -0.865 1.00 0.00 C ATOM 722 CD2 TRP A 46 -1.095 -6.570 -1.637 1.00 0.00 C ATOM 723 NE1 TRP A 46 -2.379 -5.950 0.050 1.00 0.00 N ATOM 724 CE2 TRP A 46 -1.069 -5.919 -0.384 1.00 0.00 C ATOM 725 CE3 TRP A 46 0.109 -6.702 -2.344 1.00 0.00 C ATOM 726 CZ2 TRP A 46 0.116 -5.417 0.151 1.00 0.00 C ATOM 727 CZ3 TRP A 46 1.305 -6.198 -1.811 1.00 0.00 C ATOM 728 CH2 TRP A 46 1.307 -5.556 -0.567 1.00 0.00 C ATOM 0 H TRP A 46 -3.620 -9.149 -4.934 1.00 0.00 H new ATOM 0 HA TRP A 46 -1.170 -8.865 -3.499 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -2.858 -7.080 -4.011 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -4.048 -7.888 -3.010 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -4.269 -6.727 -0.754 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -2.699 -5.558 0.936 1.00 0.00 H new ATOM 0 HE3 TRP A 46 0.116 -7.195 -3.305 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 0.114 -4.925 1.112 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 2.227 -6.306 -2.362 1.00 0.00 H new ATOM 0 HH2 TRP A 46 2.230 -5.168 -0.162 1.00 0.00 H new ATOM 739 N SER A 47 -3.489 -10.393 -1.733 1.00 0.00 N ATOM 740 CA SER A 47 -3.646 -11.263 -0.527 1.00 0.00 C ATOM 741 C SER A 47 -2.917 -12.601 -0.727 1.00 0.00 C ATOM 742 O SER A 47 -2.816 -13.396 0.189 1.00 0.00 O ATOM 743 CB SER A 47 -5.152 -11.492 -0.391 1.00 0.00 C ATOM 744 OG SER A 47 -5.420 -12.120 0.857 1.00 0.00 O ATOM 0 H SER A 47 -4.344 -10.234 -2.266 1.00 0.00 H new ATOM 0 HA SER A 47 -3.220 -10.802 0.364 1.00 0.00 H new ATOM 0 HB2 SER A 47 -5.683 -10.542 -0.455 1.00 0.00 H new ATOM 0 HB3 SER A 47 -5.512 -12.115 -1.210 1.00 0.00 H new ATOM 0 HG SER A 47 -4.656 -12.678 1.113 1.00 0.00 H new ATOM 750 N GLU A 48 -2.394 -12.854 -1.909 1.00 0.00 N ATOM 751 CA GLU A 48 -1.664 -14.121 -2.159 1.00 0.00 C ATOM 752 C GLU A 48 -0.158 -13.858 -2.224 1.00 0.00 C ATOM 753 O GLU A 48 0.633 -14.778 -2.133 1.00 0.00 O ATOM 754 CB GLU A 48 -2.180 -14.609 -3.514 1.00 0.00 C ATOM 755 CG GLU A 48 -3.485 -15.381 -3.317 1.00 0.00 C ATOM 756 CD GLU A 48 -3.177 -16.779 -2.779 1.00 0.00 C ATOM 757 OE1 GLU A 48 -2.948 -16.896 -1.586 1.00 0.00 O ATOM 758 OE2 GLU A 48 -3.175 -17.709 -3.567 1.00 0.00 O ATOM 0 H GLU A 48 -2.448 -12.225 -2.710 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.825 -14.855 -1.370 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.344 -13.761 -4.179 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.436 -15.248 -3.989 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.134 -14.848 -2.622 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.022 -15.454 -4.262 1.00 0.00 H new ATOM 765 N GLN A 49 0.255 -12.615 -2.370 1.00 0.00 N ATOM 766 CA GLN A 49 1.719 -12.322 -2.428 1.00 0.00 C ATOM 767 C GLN A 49 2.376 -12.745 -1.114 1.00 0.00 C ATOM 768 O GLN A 49 1.804 -12.595 -0.051 1.00 0.00 O ATOM 769 CB GLN A 49 1.836 -10.796 -2.607 1.00 0.00 C ATOM 770 CG GLN A 49 1.159 -10.353 -3.911 1.00 0.00 C ATOM 771 CD GLN A 49 1.804 -11.055 -5.110 1.00 0.00 C ATOM 772 OE1 GLN A 49 2.971 -11.391 -5.078 1.00 0.00 O ATOM 773 NE2 GLN A 49 1.084 -11.290 -6.173 1.00 0.00 N ATOM 0 H GLN A 49 -0.356 -11.802 -2.450 1.00 0.00 H new ATOM 0 HA GLN A 49 2.211 -12.859 -3.239 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.374 -10.288 -1.760 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.886 -10.505 -2.619 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.095 -10.586 -3.874 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.245 -9.272 -4.024 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.104 -11.007 -6.198 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.501 -11.756 -6.979 1.00 0.00 H new ATOM 782 N SER A 50 3.570 -13.258 -1.182 1.00 0.00 N ATOM 783 CA SER A 50 4.278 -13.676 0.060 1.00 0.00 C ATOM 784 C SER A 50 5.135 -12.495 0.569 1.00 0.00 C ATOM 785 O SER A 50 4.599 -11.446 0.875 1.00 0.00 O ATOM 786 CB SER A 50 5.118 -14.887 -0.362 1.00 0.00 C ATOM 787 OG SER A 50 6.141 -14.461 -1.252 1.00 0.00 O ATOM 0 H SER A 50 4.089 -13.407 -2.047 1.00 0.00 H new ATOM 0 HA SER A 50 3.616 -13.945 0.883 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.558 -15.363 0.515 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.486 -15.632 -0.846 1.00 0.00 H new ATOM 0 HG SER A 50 6.681 -15.233 -1.523 1.00 0.00 H new ATOM 793 N ALA A 51 6.443 -12.633 0.659 1.00 0.00 N ATOM 794 CA ALA A 51 7.279 -11.492 1.140 1.00 0.00 C ATOM 795 C ALA A 51 8.031 -10.832 -0.028 1.00 0.00 C ATOM 796 O ALA A 51 8.710 -9.840 0.154 1.00 0.00 O ATOM 797 CB ALA A 51 8.265 -12.113 2.130 1.00 0.00 C ATOM 0 H ALA A 51 6.958 -13.481 0.421 1.00 0.00 H new ATOM 0 HA ALA A 51 6.673 -10.710 1.598 1.00 0.00 H new ATOM 0 HB1 ALA A 51 8.917 -11.336 2.530 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.715 -12.580 2.947 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.867 -12.865 1.620 1.00 0.00 H new ATOM 803 N LYS A 52 7.913 -11.364 -1.225 1.00 0.00 N ATOM 804 CA LYS A 52 8.619 -10.751 -2.390 1.00 0.00 C ATOM 805 C LYS A 52 7.820 -9.552 -2.905 1.00 0.00 C ATOM 806 O LYS A 52 8.373 -8.522 -3.240 1.00 0.00 O ATOM 807 CB LYS A 52 8.681 -11.853 -3.448 1.00 0.00 C ATOM 808 CG LYS A 52 9.676 -11.457 -4.540 1.00 0.00 C ATOM 809 CD LYS A 52 11.088 -11.870 -4.121 1.00 0.00 C ATOM 810 CE LYS A 52 11.280 -13.366 -4.377 1.00 0.00 C ATOM 811 NZ LYS A 52 12.744 -13.535 -4.592 1.00 0.00 N ATOM 0 H LYS A 52 7.359 -12.193 -1.441 1.00 0.00 H new ATOM 0 HA LYS A 52 9.614 -10.389 -2.131 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.983 -12.795 -2.990 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.693 -12.012 -3.881 1.00 0.00 H new ATOM 0 HG2 LYS A 52 9.409 -11.938 -5.481 1.00 0.00 H new ATOM 0 HG3 LYS A 52 9.636 -10.381 -4.710 1.00 0.00 H new ATOM 0 HD2 LYS A 52 11.827 -11.297 -4.681 1.00 0.00 H new ATOM 0 HD3 LYS A 52 11.245 -11.648 -3.065 1.00 0.00 H new ATOM 0 HE2 LYS A 52 10.934 -13.959 -3.530 1.00 0.00 H new ATOM 0 HE3 LYS A 52 10.713 -13.693 -5.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.955 -14.537 -4.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 13.043 -12.964 -5.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 13.258 -13.222 -3.744 1.00 0.00 H new ATOM 825 N ASP A 53 6.519 -9.686 -2.966 1.00 0.00 N ATOM 826 CA ASP A 53 5.665 -8.562 -3.452 1.00 0.00 C ATOM 827 C ASP A 53 4.650 -8.174 -2.375 1.00 0.00 C ATOM 828 O ASP A 53 3.455 -8.155 -2.607 1.00 0.00 O ATOM 829 CB ASP A 53 4.953 -9.111 -4.687 1.00 0.00 C ATOM 830 CG ASP A 53 5.645 -8.602 -5.954 1.00 0.00 C ATOM 831 OD1 ASP A 53 5.398 -7.467 -6.325 1.00 0.00 O ATOM 832 OD2 ASP A 53 6.412 -9.356 -6.530 1.00 0.00 O ATOM 0 H ASP A 53 6.011 -10.529 -2.699 1.00 0.00 H new ATOM 0 HA ASP A 53 6.245 -7.668 -3.682 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.963 -10.201 -4.669 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.908 -8.801 -4.683 1.00 0.00 H new ATOM 837 N LYS A 54 5.122 -7.867 -1.195 1.00 0.00 N ATOM 838 CA LYS A 54 4.197 -7.481 -0.093 1.00 0.00 C ATOM 839 C LYS A 54 4.967 -6.907 1.099 1.00 0.00 C ATOM 840 O LYS A 54 4.486 -6.026 1.783 1.00 0.00 O ATOM 841 CB LYS A 54 3.505 -8.784 0.295 1.00 0.00 C ATOM 842 CG LYS A 54 2.023 -8.510 0.576 1.00 0.00 C ATOM 843 CD LYS A 54 1.413 -9.666 1.366 1.00 0.00 C ATOM 844 CE LYS A 54 1.896 -9.611 2.818 1.00 0.00 C ATOM 845 NZ LYS A 54 1.757 -11.004 3.323 1.00 0.00 N ATOM 0 H LYS A 54 6.112 -7.868 -0.948 1.00 0.00 H new ATOM 0 HA LYS A 54 3.494 -6.707 -0.401 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.605 -9.515 -0.508 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.981 -9.212 1.177 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.917 -7.581 1.137 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.486 -8.378 -0.363 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.325 -9.608 1.332 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.696 -10.617 0.914 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.930 -9.271 2.877 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.298 -8.916 3.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.069 -11.047 4.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.761 -11.298 3.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.343 -11.642 2.748 1.00 0.00 H new ATOM 859 N GLN A 55 6.154 -7.397 1.352 1.00 0.00 N ATOM 860 CA GLN A 55 6.957 -6.878 2.502 1.00 0.00 C ATOM 861 C GLN A 55 7.546 -5.491 2.186 1.00 0.00 C ATOM 862 O GLN A 55 7.365 -4.569 2.957 1.00 0.00 O ATOM 863 CB GLN A 55 8.078 -7.898 2.707 1.00 0.00 C ATOM 864 CG GLN A 55 7.618 -8.972 3.695 1.00 0.00 C ATOM 865 CD GLN A 55 7.507 -8.364 5.094 1.00 0.00 C ATOM 866 OE1 GLN A 55 8.501 -8.165 5.764 1.00 0.00 O ATOM 867 NE2 GLN A 55 6.329 -8.059 5.568 1.00 0.00 N ATOM 0 H GLN A 55 6.603 -8.136 0.811 1.00 0.00 H new ATOM 0 HA GLN A 55 6.343 -6.758 3.394 1.00 0.00 H new ATOM 0 HB2 GLN A 55 8.346 -8.356 1.755 1.00 0.00 H new ATOM 0 HB3 GLN A 55 8.972 -7.401 3.084 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.655 -9.377 3.386 1.00 0.00 H new ATOM 0 HG3 GLN A 55 8.325 -9.801 3.702 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.494 -8.226 5.006 1.00 0.00 H new ATOM 0 HE22 GLN A 55 6.244 -7.654 6.500 1.00 0.00 H new ATOM 876 N PRO A 56 8.243 -5.371 1.071 1.00 0.00 N ATOM 877 CA PRO A 56 8.849 -4.064 0.710 1.00 0.00 C ATOM 878 C PRO A 56 7.773 -3.046 0.306 1.00 0.00 C ATOM 879 O PRO A 56 8.056 -1.872 0.148 1.00 0.00 O ATOM 880 CB PRO A 56 9.759 -4.396 -0.469 1.00 0.00 C ATOM 881 CG PRO A 56 9.179 -5.635 -1.067 1.00 0.00 C ATOM 882 CD PRO A 56 8.532 -6.402 0.055 1.00 0.00 C ATOM 0 HA PRO A 56 9.387 -3.608 1.541 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.781 -3.581 -1.193 1.00 0.00 H new ATOM 0 HB3 PRO A 56 10.786 -4.559 -0.142 1.00 0.00 H new ATOM 0 HG2 PRO A 56 8.448 -5.386 -1.836 1.00 0.00 H new ATOM 0 HG3 PRO A 56 9.955 -6.232 -1.546 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.622 -6.902 -0.276 1.00 0.00 H new ATOM 0 HD3 PRO A 56 9.196 -7.173 0.446 1.00 0.00 H new ATOM 890 N TYR A 57 6.542 -3.476 0.145 1.00 0.00 N ATOM 891 CA TYR A 57 5.460 -2.525 -0.238 1.00 0.00 C ATOM 892 C TYR A 57 4.722 -2.042 1.015 1.00 0.00 C ATOM 893 O TYR A 57 4.295 -0.906 1.097 1.00 0.00 O ATOM 894 CB TYR A 57 4.524 -3.329 -1.142 1.00 0.00 C ATOM 895 CG TYR A 57 5.166 -3.507 -2.499 1.00 0.00 C ATOM 896 CD1 TYR A 57 5.315 -2.406 -3.355 1.00 0.00 C ATOM 897 CD2 TYR A 57 5.613 -4.770 -2.904 1.00 0.00 C ATOM 898 CE1 TYR A 57 5.910 -2.571 -4.610 1.00 0.00 C ATOM 899 CE2 TYR A 57 6.209 -4.933 -4.161 1.00 0.00 C ATOM 900 CZ TYR A 57 6.358 -3.833 -5.014 1.00 0.00 C ATOM 901 OH TYR A 57 6.945 -3.995 -6.252 1.00 0.00 O ATOM 0 H TYR A 57 6.245 -4.445 0.263 1.00 0.00 H new ATOM 0 HA TYR A 57 5.844 -1.639 -0.743 1.00 0.00 H new ATOM 0 HB2 TYR A 57 4.316 -4.301 -0.696 1.00 0.00 H new ATOM 0 HB3 TYR A 57 3.569 -2.814 -1.244 1.00 0.00 H new ATOM 0 HD1 TYR A 57 4.970 -1.431 -3.045 1.00 0.00 H new ATOM 0 HD2 TYR A 57 5.498 -5.619 -2.247 1.00 0.00 H new ATOM 0 HE1 TYR A 57 6.024 -1.722 -5.268 1.00 0.00 H new ATOM 0 HE2 TYR A 57 6.554 -5.908 -4.472 1.00 0.00 H new ATOM 0 HH TYR A 57 6.256 -3.957 -6.948 1.00 0.00 H new ATOM 911 N GLU A 58 4.585 -2.896 1.998 1.00 0.00 N ATOM 912 CA GLU A 58 3.888 -2.485 3.255 1.00 0.00 C ATOM 913 C GLU A 58 4.888 -1.826 4.214 1.00 0.00 C ATOM 914 O GLU A 58 4.531 -0.972 5.003 1.00 0.00 O ATOM 915 CB GLU A 58 3.298 -3.779 3.844 1.00 0.00 C ATOM 916 CG GLU A 58 4.410 -4.732 4.312 1.00 0.00 C ATOM 917 CD GLU A 58 3.805 -6.096 4.644 1.00 0.00 C ATOM 918 OE1 GLU A 58 2.945 -6.147 5.508 1.00 0.00 O ATOM 919 OE2 GLU A 58 4.209 -7.069 4.027 1.00 0.00 O ATOM 0 H GLU A 58 4.925 -3.858 1.985 1.00 0.00 H new ATOM 0 HA GLU A 58 3.102 -1.751 3.077 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.646 -3.536 4.683 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.681 -4.275 3.095 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.165 -4.837 3.533 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.911 -4.321 5.189 1.00 0.00 H new ATOM 926 N GLN A 59 6.142 -2.198 4.128 1.00 0.00 N ATOM 927 CA GLN A 59 7.174 -1.575 5.011 1.00 0.00 C ATOM 928 C GLN A 59 7.673 -0.255 4.399 1.00 0.00 C ATOM 929 O GLN A 59 8.468 0.448 4.992 1.00 0.00 O ATOM 930 CB GLN A 59 8.312 -2.593 5.073 1.00 0.00 C ATOM 931 CG GLN A 59 7.806 -3.889 5.709 1.00 0.00 C ATOM 932 CD GLN A 59 7.604 -3.674 7.210 1.00 0.00 C ATOM 933 OE1 GLN A 59 8.537 -3.773 7.981 1.00 0.00 O ATOM 934 NE2 GLN A 59 6.414 -3.381 7.660 1.00 0.00 N ATOM 0 H GLN A 59 6.494 -2.906 3.484 1.00 0.00 H new ATOM 0 HA GLN A 59 6.779 -1.340 6.000 1.00 0.00 H new ATOM 0 HB2 GLN A 59 8.691 -2.792 4.070 1.00 0.00 H new ATOM 0 HB3 GLN A 59 9.142 -2.191 5.654 1.00 0.00 H new ATOM 0 HG2 GLN A 59 6.868 -4.193 5.245 1.00 0.00 H new ATOM 0 HG3 GLN A 59 8.521 -4.694 5.539 1.00 0.00 H new ATOM 0 HE21 GLN A 59 5.630 -3.298 7.013 1.00 0.00 H new ATOM 0 HE22 GLN A 59 6.268 -3.235 8.659 1.00 0.00 H new ATOM 943 N LYS A 60 7.196 0.095 3.223 1.00 0.00 N ATOM 944 CA LYS A 60 7.621 1.370 2.580 1.00 0.00 C ATOM 945 C LYS A 60 6.501 2.408 2.708 1.00 0.00 C ATOM 946 O LYS A 60 6.737 3.595 2.633 1.00 0.00 O ATOM 947 CB LYS A 60 7.861 1.014 1.111 1.00 0.00 C ATOM 948 CG LYS A 60 8.532 2.192 0.399 1.00 0.00 C ATOM 949 CD LYS A 60 7.470 3.032 -0.315 1.00 0.00 C ATOM 950 CE LYS A 60 8.119 4.294 -0.889 1.00 0.00 C ATOM 951 NZ LYS A 60 6.994 5.070 -1.481 1.00 0.00 N ATOM 0 H LYS A 60 6.527 -0.456 2.684 1.00 0.00 H new ATOM 0 HA LYS A 60 8.512 1.796 3.041 1.00 0.00 H new ATOM 0 HB2 LYS A 60 8.490 0.127 1.040 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.915 0.774 0.626 1.00 0.00 H new ATOM 0 HG2 LYS A 60 9.072 2.806 1.120 1.00 0.00 H new ATOM 0 HG3 LYS A 60 9.265 1.826 -0.320 1.00 0.00 H new ATOM 0 HD2 LYS A 60 7.009 2.452 -1.114 1.00 0.00 H new ATOM 0 HD3 LYS A 60 6.676 3.303 0.381 1.00 0.00 H new ATOM 0 HE2 LYS A 60 8.627 4.865 -0.112 1.00 0.00 H new ATOM 0 HE3 LYS A 60 8.867 4.046 -1.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 7.360 5.951 -1.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 6.534 4.504 -2.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 6.301 5.298 -0.739 1.00 0.00 H new ATOM 965 N ALA A 61 5.281 1.962 2.893 1.00 0.00 N ATOM 966 CA ALA A 61 4.136 2.909 3.027 1.00 0.00 C ATOM 967 C ALA A 61 3.713 3.018 4.493 1.00 0.00 C ATOM 968 O ALA A 61 3.251 4.051 4.942 1.00 0.00 O ATOM 969 CB ALA A 61 3.014 2.285 2.194 1.00 0.00 C ATOM 0 H ALA A 61 5.031 0.975 2.957 1.00 0.00 H new ATOM 0 HA ALA A 61 4.387 3.915 2.691 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.130 2.922 2.239 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.340 2.189 1.158 1.00 0.00 H new ATOM 0 HB3 ALA A 61 2.771 1.299 2.591 1.00 0.00 H new ATOM 975 N ALA A 62 3.869 1.956 5.233 1.00 0.00 N ATOM 976 CA ALA A 62 3.480 1.973 6.676 1.00 0.00 C ATOM 977 C ALA A 62 4.489 2.784 7.495 1.00 0.00 C ATOM 978 O ALA A 62 4.119 3.510 8.399 1.00 0.00 O ATOM 979 CB ALA A 62 3.489 0.506 7.111 1.00 0.00 C ATOM 0 H ALA A 62 4.251 1.071 4.901 1.00 0.00 H new ATOM 0 HA ALA A 62 2.506 2.437 6.830 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.212 0.437 8.163 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.774 -0.056 6.510 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.487 0.091 6.970 1.00 0.00 H new ATOM 985 N LYS A 63 5.757 2.673 7.184 1.00 0.00 N ATOM 986 CA LYS A 63 6.788 3.447 7.943 1.00 0.00 C ATOM 987 C LYS A 63 6.949 4.862 7.362 1.00 0.00 C ATOM 988 O LYS A 63 7.670 5.678 7.904 1.00 0.00 O ATOM 989 CB LYS A 63 8.082 2.650 7.774 1.00 0.00 C ATOM 990 CG LYS A 63 8.972 2.854 9.001 1.00 0.00 C ATOM 991 CD LYS A 63 8.415 2.049 10.177 1.00 0.00 C ATOM 992 CE LYS A 63 9.449 2.008 11.304 1.00 0.00 C ATOM 993 NZ LYS A 63 8.917 1.015 12.278 1.00 0.00 N ATOM 0 H LYS A 63 6.122 2.081 6.438 1.00 0.00 H new ATOM 0 HA LYS A 63 6.513 3.572 8.990 1.00 0.00 H new ATOM 0 HB2 LYS A 63 7.855 1.591 7.648 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.606 2.973 6.874 1.00 0.00 H new ATOM 0 HG2 LYS A 63 9.991 2.537 8.780 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.016 3.912 9.259 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.490 2.501 10.535 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.172 1.036 9.855 1.00 0.00 H new ATOM 0 HE2 LYS A 63 10.428 1.709 10.931 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.569 2.988 11.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.572 0.931 13.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.987 1.329 12.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.820 0.090 11.813 1.00 0.00 H new ATOM 1007 N LEU A 64 6.266 5.165 6.284 1.00 0.00 N ATOM 1008 CA LEU A 64 6.355 6.531 5.688 1.00 0.00 C ATOM 1009 C LEU A 64 5.065 7.314 5.965 1.00 0.00 C ATOM 1010 O LEU A 64 5.038 8.527 5.884 1.00 0.00 O ATOM 1011 CB LEU A 64 6.540 6.302 4.187 1.00 0.00 C ATOM 1012 CG LEU A 64 7.628 7.234 3.653 1.00 0.00 C ATOM 1013 CD1 LEU A 64 7.920 6.895 2.190 1.00 0.00 C ATOM 1014 CD2 LEU A 64 7.151 8.685 3.755 1.00 0.00 C ATOM 0 H LEU A 64 5.648 4.520 5.791 1.00 0.00 H new ATOM 0 HA LEU A 64 7.174 7.113 6.110 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.813 5.264 3.999 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.602 6.485 3.663 1.00 0.00 H new ATOM 0 HG LEU A 64 8.536 7.107 4.242 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.696 7.560 1.810 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.260 5.862 2.117 1.00 0.00 H new ATOM 0 HD13 LEU A 64 7.013 7.021 1.599 1.00 0.00 H new ATOM 0 HD21 LEU A 64 7.926 9.350 3.375 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.243 8.812 3.166 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.944 8.928 4.797 1.00 0.00 H new ATOM 1026 N LYS A 65 3.994 6.625 6.286 1.00 0.00 N ATOM 1027 CA LYS A 65 2.702 7.319 6.564 1.00 0.00 C ATOM 1028 C LYS A 65 2.679 7.843 8.006 1.00 0.00 C ATOM 1029 O LYS A 65 2.182 8.922 8.275 1.00 0.00 O ATOM 1030 CB LYS A 65 1.629 6.242 6.362 1.00 0.00 C ATOM 1031 CG LYS A 65 0.240 6.833 6.625 1.00 0.00 C ATOM 1032 CD LYS A 65 -0.811 6.026 5.859 1.00 0.00 C ATOM 1033 CE LYS A 65 -2.136 6.792 5.852 1.00 0.00 C ATOM 1034 NZ LYS A 65 -2.668 6.649 7.236 1.00 0.00 N ATOM 0 H LYS A 65 3.963 5.609 6.367 1.00 0.00 H new ATOM 0 HA LYS A 65 2.545 8.181 5.915 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.681 5.851 5.346 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.811 5.404 7.036 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.021 6.814 7.693 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.212 7.877 6.312 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.476 5.849 4.837 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.945 5.049 6.324 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.985 7.840 5.593 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.828 6.378 5.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -3.658 6.967 7.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.617 5.652 7.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -2.101 7.229 7.887 1.00 0.00 H new