USER MOD reduce.3.24.130724 H: found=0, std=0, add=563, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 565 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 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 169:sc= 1.29 (180deg=1.22) USER MOD Single : A 20 LYS NZ :NH3+ 165:sc= -0.0341 (180deg=-0.281) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0846 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 HIS :FLIP no HD1:sc= -0.158 F(o=-1.6,f=-0.16) USER MOD Single : A 32 LYS NZ :NH3+ -178:sc= 0.643 (180deg=0.626) USER MOD Single : A 38 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 42 ASN : amide:sc= -0.0989 X(o=-0.099,f=-0.01) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.747 K(o=-0.75,f=-5.4!) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 132:sc= 0.967 USER MOD Single : A 64 LYS NZ :NH3+ -171:sc=-0.00354 (180deg=-0.0939) USER MOD Single : A 69 THR OG1 : rot -178:sc= 0.365 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 120:sc= 0.72 USER MOD Single : A 76 TYR OH : rot 180:sc= 0.449 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 244 N GLU A 14 -13.464 -4.449 -11.100 1.00 0.00 N ATOM 245 CA GLU A 14 -13.701 -5.695 -10.439 1.00 0.00 C ATOM 246 C GLU A 14 -13.509 -5.578 -8.937 1.00 0.00 C ATOM 247 O GLU A 14 -14.329 -6.080 -8.175 1.00 0.00 O ATOM 248 CB GLU A 14 -12.870 -6.819 -11.040 1.00 0.00 C ATOM 249 CG GLU A 14 -13.145 -8.176 -10.427 1.00 0.00 C ATOM 250 CD GLU A 14 -12.442 -9.279 -11.144 1.00 0.00 C ATOM 251 OE1 GLU A 14 -11.298 -9.613 -10.792 1.00 0.00 O ATOM 252 OE2 GLU A 14 -13.016 -9.848 -12.073 1.00 0.00 O ATOM 0 HA GLU A 14 -14.746 -5.956 -10.603 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -13.063 -6.869 -12.112 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -11.813 -6.583 -10.918 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -12.833 -8.169 -9.382 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -14.218 -8.366 -10.438 1.00 0.00 H new ATOM 259 N ILE A 15 -12.471 -4.869 -8.509 1.00 0.00 N ATOM 260 CA ILE A 15 -12.191 -4.724 -7.077 1.00 0.00 C ATOM 261 C ILE A 15 -13.300 -3.964 -6.359 1.00 0.00 C ATOM 262 O ILE A 15 -13.591 -4.223 -5.197 1.00 0.00 O ATOM 263 CB ILE A 15 -10.786 -4.083 -6.788 1.00 0.00 C ATOM 264 CG1 ILE A 15 -10.654 -2.654 -7.335 1.00 0.00 C ATOM 265 CG2 ILE A 15 -9.683 -4.945 -7.353 1.00 0.00 C ATOM 266 CD1 ILE A 15 -11.151 -1.558 -6.418 1.00 0.00 C ATOM 0 H ILE A 15 -11.813 -4.388 -9.122 1.00 0.00 H new ATOM 0 HA ILE A 15 -12.161 -5.736 -6.674 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.694 -4.025 -5.703 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -9.605 -2.466 -7.562 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -11.200 -2.592 -8.276 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -8.718 -4.485 -7.143 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.722 -5.933 -6.894 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -9.812 -5.041 -8.431 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -11.012 -0.590 -6.899 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -12.210 -1.711 -6.209 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -10.590 -1.583 -5.484 1.00 0.00 H new ATOM 278 N LYS A 16 -13.954 -3.073 -7.076 1.00 0.00 N ATOM 279 CA LYS A 16 -15.011 -2.275 -6.494 1.00 0.00 C ATOM 280 C LYS A 16 -16.282 -3.071 -6.328 1.00 0.00 C ATOM 281 O LYS A 16 -17.074 -2.799 -5.438 1.00 0.00 O ATOM 282 CB LYS A 16 -15.198 -0.937 -7.234 1.00 0.00 C ATOM 283 CG LYS A 16 -14.206 0.120 -6.761 1.00 0.00 C ATOM 284 CD LYS A 16 -14.297 1.446 -7.504 1.00 0.00 C ATOM 285 CE LYS A 16 -13.703 1.370 -8.900 1.00 0.00 C ATOM 286 NZ LYS A 16 -13.593 2.707 -9.523 1.00 0.00 N ATOM 0 H LYS A 16 -13.772 -2.884 -8.062 1.00 0.00 H new ATOM 0 HA LYS A 16 -14.706 -2.000 -5.484 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -15.076 -1.095 -8.306 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -16.215 -0.576 -7.079 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -14.366 0.301 -5.698 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -13.195 -0.274 -6.868 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -15.342 1.750 -7.573 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -13.778 2.216 -6.933 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -12.716 0.910 -8.851 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -14.324 0.728 -9.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -13.183 2.614 -10.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -14.538 3.136 -9.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -12.980 3.312 -8.940 1.00 0.00 H new ATOM 300 N LYS A 17 -16.431 -4.084 -7.145 1.00 0.00 N ATOM 301 CA LYS A 17 -17.554 -4.998 -7.042 1.00 0.00 C ATOM 302 C LYS A 17 -17.227 -6.057 -5.994 1.00 0.00 C ATOM 303 O LYS A 17 -18.080 -6.461 -5.206 1.00 0.00 O ATOM 304 CB LYS A 17 -17.778 -5.683 -8.390 1.00 0.00 C ATOM 305 CG LYS A 17 -18.059 -4.726 -9.521 1.00 0.00 C ATOM 306 CD LYS A 17 -18.011 -5.426 -10.862 1.00 0.00 C ATOM 307 CE LYS A 17 -18.194 -4.436 -11.991 1.00 0.00 C ATOM 308 NZ LYS A 17 -18.004 -5.060 -13.304 1.00 0.00 N ATOM 0 H LYS A 17 -15.782 -4.303 -7.901 1.00 0.00 H new ATOM 0 HA LYS A 17 -18.453 -4.450 -6.758 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -16.896 -6.274 -8.637 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -18.613 -6.378 -8.299 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -19.040 -4.273 -9.381 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -17.329 -3.917 -9.505 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -17.057 -5.941 -10.975 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -18.791 -6.186 -10.909 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -19.193 -4.004 -11.936 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -17.485 -3.616 -11.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -18.138 -4.348 -14.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -17.042 -5.450 -13.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -18.697 -5.826 -13.428 1.00 0.00 H new ATOM 322 N LYS A 18 -15.970 -6.460 -5.996 1.00 0.00 N ATOM 323 CA LYS A 18 -15.426 -7.503 -5.143 1.00 0.00 C ATOM 324 C LYS A 18 -15.394 -7.095 -3.675 1.00 0.00 C ATOM 325 O LYS A 18 -15.844 -7.844 -2.804 1.00 0.00 O ATOM 326 CB LYS A 18 -14.006 -7.843 -5.637 1.00 0.00 C ATOM 327 CG LYS A 18 -13.246 -8.891 -4.841 1.00 0.00 C ATOM 328 CD LYS A 18 -11.880 -9.140 -5.464 1.00 0.00 C ATOM 329 CE LYS A 18 -11.050 -10.116 -4.649 1.00 0.00 C ATOM 330 NZ LYS A 18 -9.735 -10.354 -5.265 1.00 0.00 N ATOM 0 H LYS A 18 -15.271 -6.053 -6.617 1.00 0.00 H new ATOM 0 HA LYS A 18 -16.075 -8.377 -5.207 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -14.076 -8.183 -6.670 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -13.418 -6.925 -5.643 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -13.128 -8.559 -3.810 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -13.815 -9.820 -4.813 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -12.008 -9.529 -6.474 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.344 -8.195 -5.552 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.915 -9.726 -3.640 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -11.585 -11.061 -4.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.128 -10.871 -4.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.854 -10.916 -6.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -9.292 -9.443 -5.501 1.00 0.00 H new ATOM 344 N PHE A 19 -14.870 -5.927 -3.404 1.00 0.00 N ATOM 345 CA PHE A 19 -14.706 -5.476 -2.033 1.00 0.00 C ATOM 346 C PHE A 19 -15.767 -4.475 -1.640 1.00 0.00 C ATOM 347 O PHE A 19 -15.835 -4.080 -0.472 1.00 0.00 O ATOM 348 CB PHE A 19 -13.314 -4.849 -1.839 1.00 0.00 C ATOM 349 CG PHE A 19 -12.174 -5.789 -2.122 1.00 0.00 C ATOM 350 CD1 PHE A 19 -11.973 -6.906 -1.338 1.00 0.00 C ATOM 351 CD2 PHE A 19 -11.310 -5.559 -3.183 1.00 0.00 C ATOM 352 CE1 PHE A 19 -10.936 -7.778 -1.598 1.00 0.00 C ATOM 353 CE2 PHE A 19 -10.273 -6.431 -3.448 1.00 0.00 C ATOM 354 CZ PHE A 19 -10.087 -7.543 -2.650 1.00 0.00 C ATOM 0 H PHE A 19 -14.547 -5.266 -4.110 1.00 0.00 H new ATOM 0 HA PHE A 19 -14.809 -6.351 -1.391 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -13.225 -3.980 -2.490 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -13.229 -4.489 -0.814 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -12.637 -7.101 -0.509 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -11.450 -4.689 -3.808 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -10.792 -8.647 -0.973 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -9.608 -6.244 -4.278 1.00 0.00 H new ATOM 0 HZ PHE A 19 -9.275 -8.226 -2.854 1.00 0.00 H new ATOM 364 N LYS A 20 -16.607 -4.095 -2.609 1.00 0.00 N ATOM 365 CA LYS A 20 -17.609 -3.032 -2.437 1.00 0.00 C ATOM 366 C LYS A 20 -16.885 -1.784 -2.032 1.00 0.00 C ATOM 367 O LYS A 20 -16.858 -1.401 -0.869 1.00 0.00 O ATOM 368 CB LYS A 20 -18.730 -3.396 -1.445 1.00 0.00 C ATOM 369 CG LYS A 20 -19.471 -4.679 -1.779 1.00 0.00 C ATOM 370 CD LYS A 20 -20.578 -4.949 -0.773 1.00 0.00 C ATOM 371 CE LYS A 20 -21.262 -6.286 -1.026 1.00 0.00 C ATOM 372 NZ LYS A 20 -20.324 -7.417 -0.869 1.00 0.00 N ATOM 0 H LYS A 20 -16.613 -4.516 -3.538 1.00 0.00 H new ATOM 0 HA LYS A 20 -18.128 -2.882 -3.384 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -18.300 -3.488 -0.448 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -19.447 -2.576 -1.409 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -19.895 -4.608 -2.781 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -18.772 -5.515 -1.788 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -20.163 -4.939 0.235 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -21.316 -4.149 -0.822 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -22.095 -6.405 -0.334 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -21.680 -6.297 -2.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -20.860 -8.305 -0.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -19.692 -7.461 -1.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -19.758 -7.282 -0.007 1.00 0.00 H new ATOM 386 N LEU A 21 -16.251 -1.194 -3.000 1.00 0.00 N ATOM 387 CA LEU A 21 -15.335 -0.111 -2.760 1.00 0.00 C ATOM 388 C LEU A 21 -15.734 1.037 -3.640 1.00 0.00 C ATOM 389 O LEU A 21 -14.982 1.988 -3.839 1.00 0.00 O ATOM 390 CB LEU A 21 -13.941 -0.582 -3.156 1.00 0.00 C ATOM 391 CG LEU A 21 -12.794 0.129 -2.490 1.00 0.00 C ATOM 392 CD1 LEU A 21 -12.747 -0.281 -1.047 1.00 0.00 C ATOM 393 CD2 LEU A 21 -11.493 -0.184 -3.181 1.00 0.00 C ATOM 0 H LEU A 21 -16.352 -1.448 -3.983 1.00 0.00 H new ATOM 0 HA LEU A 21 -15.348 0.195 -1.714 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -13.861 -1.646 -2.935 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -13.834 -0.472 -4.235 1.00 0.00 H new ATOM 0 HG LEU A 21 -12.944 1.206 -2.558 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -11.920 0.227 -0.551 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -13.684 -0.009 -0.561 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -12.603 -1.359 -0.980 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -10.680 0.342 -2.681 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -11.309 -1.258 -3.142 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -11.547 0.137 -4.221 1.00 0.00 H new ATOM 405 N THR A 22 -16.916 0.917 -4.152 1.00 0.00 N ATOM 406 CA THR A 22 -17.469 1.781 -5.126 1.00 0.00 C ATOM 407 C THR A 22 -17.496 3.247 -4.639 1.00 0.00 C ATOM 408 O THR A 22 -18.120 3.578 -3.619 1.00 0.00 O ATOM 409 CB THR A 22 -18.863 1.262 -5.419 1.00 0.00 C ATOM 410 OG1 THR A 22 -18.785 -0.187 -5.457 1.00 0.00 O ATOM 411 CG2 THR A 22 -19.318 1.732 -6.760 1.00 0.00 C ATOM 0 H THR A 22 -17.553 0.167 -3.881 1.00 0.00 H new ATOM 0 HA THR A 22 -16.860 1.786 -6.030 1.00 0.00 H new ATOM 0 HB THR A 22 -19.558 1.617 -4.658 1.00 0.00 H new ATOM 0 HG1 THR A 22 -19.673 -0.558 -5.643 1.00 0.00 H new ATOM 0 HG21 THR A 22 -20.320 1.352 -6.958 1.00 0.00 H new ATOM 0 HG22 THR A 22 -19.333 2.822 -6.778 1.00 0.00 H new ATOM 0 HG23 THR A 22 -18.634 1.366 -7.525 1.00 0.00 H new ATOM 419 N GLY A 23 -16.771 4.092 -5.341 1.00 0.00 N ATOM 420 CA GLY A 23 -16.662 5.477 -4.990 1.00 0.00 C ATOM 421 C GLY A 23 -15.220 5.929 -5.126 1.00 0.00 C ATOM 422 O GLY A 23 -14.342 5.092 -5.339 1.00 0.00 O ATOM 0 H GLY A 23 -16.242 3.829 -6.172 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -17.303 6.077 -5.636 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -17.006 5.631 -3.967 1.00 0.00 H new ATOM 426 N PRO A 24 -14.942 7.235 -5.051 1.00 0.00 N ATOM 427 CA PRO A 24 -13.573 7.747 -5.127 1.00 0.00 C ATOM 428 C PRO A 24 -12.789 7.396 -3.854 1.00 0.00 C ATOM 429 O PRO A 24 -13.183 7.770 -2.735 1.00 0.00 O ATOM 430 CB PRO A 24 -13.756 9.264 -5.261 1.00 0.00 C ATOM 431 CG PRO A 24 -15.103 9.548 -4.683 1.00 0.00 C ATOM 432 CD PRO A 24 -15.936 8.316 -4.899 1.00 0.00 C ATOM 0 HA PRO A 24 -13.006 7.319 -5.954 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -12.976 9.804 -4.725 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -13.701 9.577 -6.304 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -15.027 9.782 -3.621 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -15.557 10.412 -5.168 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -16.601 8.131 -4.056 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -16.564 8.409 -5.785 1.00 0.00 H new ATOM 440 N ILE A 25 -11.719 6.669 -4.003 1.00 0.00 N ATOM 441 CA ILE A 25 -10.968 6.212 -2.857 1.00 0.00 C ATOM 442 C ILE A 25 -9.670 6.998 -2.645 1.00 0.00 C ATOM 443 O ILE A 25 -9.098 7.554 -3.594 1.00 0.00 O ATOM 444 CB ILE A 25 -10.742 4.653 -2.873 1.00 0.00 C ATOM 445 CG1 ILE A 25 -10.011 4.134 -4.138 1.00 0.00 C ATOM 446 CG2 ILE A 25 -12.065 3.922 -2.707 1.00 0.00 C ATOM 447 CD1 ILE A 25 -8.510 4.356 -4.154 1.00 0.00 C ATOM 0 H ILE A 25 -11.343 6.377 -4.905 1.00 0.00 H new ATOM 0 HA ILE A 25 -11.586 6.422 -1.984 1.00 0.00 H new ATOM 0 HB ILE A 25 -10.085 4.442 -2.029 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -10.205 3.066 -4.238 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -10.443 4.620 -5.013 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -11.890 2.846 -2.720 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -12.520 4.204 -1.757 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -12.734 4.191 -3.524 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -8.093 3.958 -5.079 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.299 5.424 -4.091 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -8.058 3.846 -3.304 1.00 0.00 H new ATOM 459 N GLN A 26 -9.247 7.078 -1.402 1.00 0.00 N ATOM 460 CA GLN A 26 -8.011 7.745 -0.992 1.00 0.00 C ATOM 461 C GLN A 26 -7.401 6.952 0.141 1.00 0.00 C ATOM 462 O GLN A 26 -8.111 6.206 0.811 1.00 0.00 O ATOM 463 CB GLN A 26 -8.276 9.172 -0.509 1.00 0.00 C ATOM 464 CG GLN A 26 -8.843 10.107 -1.552 1.00 0.00 C ATOM 465 CD GLN A 26 -9.045 11.498 -1.024 1.00 0.00 C ATOM 466 OE1 GLN A 26 -10.101 11.824 -0.498 1.00 0.00 O ATOM 467 NE2 GLN A 26 -8.052 12.332 -1.161 1.00 0.00 N ATOM 0 H GLN A 26 -9.761 6.672 -0.620 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.340 7.797 -1.849 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -8.966 9.131 0.334 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.342 9.592 -0.136 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.171 10.141 -2.410 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.795 9.715 -1.909 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -7.186 12.026 -1.605 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -8.141 13.291 -0.825 1.00 0.00 H new ATOM 476 N VAL A 27 -6.119 7.116 0.380 1.00 0.00 N ATOM 477 CA VAL A 27 -5.438 6.332 1.405 1.00 0.00 C ATOM 478 C VAL A 27 -5.754 6.785 2.797 1.00 0.00 C ATOM 479 O VAL A 27 -6.156 7.932 3.032 1.00 0.00 O ATOM 480 CB VAL A 27 -3.896 6.336 1.265 1.00 0.00 C ATOM 481 CG1 VAL A 27 -3.474 5.662 0.019 1.00 0.00 C ATOM 482 CG2 VAL A 27 -3.320 7.749 1.333 1.00 0.00 C ATOM 0 H VAL A 27 -5.523 7.780 -0.115 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.819 5.324 1.242 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.497 5.778 2.112 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.387 5.679 -0.054 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.821 4.629 0.029 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.903 6.180 -0.838 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.236 7.705 1.231 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.737 8.351 0.526 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.576 8.201 2.291 1.00 0.00 H new ATOM 492 N ILE A 28 -5.618 5.876 3.711 1.00 0.00 N ATOM 493 CA ILE A 28 -5.652 6.232 5.109 1.00 0.00 C ATOM 494 C ILE A 28 -4.219 6.183 5.662 1.00 0.00 C ATOM 495 O ILE A 28 -3.842 6.970 6.528 1.00 0.00 O ATOM 496 CB ILE A 28 -6.617 5.338 5.943 1.00 0.00 C ATOM 497 CG1 ILE A 28 -8.035 5.446 5.361 1.00 0.00 C ATOM 498 CG2 ILE A 28 -6.613 5.766 7.418 1.00 0.00 C ATOM 499 CD1 ILE A 28 -9.114 4.725 6.148 1.00 0.00 C ATOM 0 H ILE A 28 -5.482 4.883 3.523 1.00 0.00 H new ATOM 0 HA ILE A 28 -6.051 7.243 5.196 1.00 0.00 H new ATOM 0 HB ILE A 28 -6.280 4.303 5.891 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -8.302 6.500 5.291 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -8.024 5.052 4.345 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -7.293 5.129 7.983 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.605 5.669 7.822 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.937 6.804 7.497 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -10.077 4.862 5.655 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -8.880 3.662 6.197 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -9.162 5.133 7.158 1.00 0.00 H new ATOM 511 N HIS A 29 -3.410 5.271 5.126 1.00 0.00 N ATOM 512 CA HIS A 29 -1.996 5.134 5.511 1.00 0.00 C ATOM 513 C HIS A 29 -1.260 4.567 4.309 1.00 0.00 C ATOM 514 O HIS A 29 -1.884 4.300 3.277 1.00 0.00 O ATOM 515 CB HIS A 29 -1.766 4.162 6.718 1.00 0.00 C ATOM 516 CG HIS A 29 -2.532 4.428 7.983 1.00 0.00 C ATOM 517 ND1 HIS A 29 -3.677 3.887 8.441 1.00 0.00 N flip ATOM 518 CD2 HIS A 29 -2.131 5.314 8.941 1.00 0.00 C flip ATOM 519 CE1 HIS A 29 -3.945 4.452 9.649 1.00 0.00 C flip ATOM 520 NE2 HIS A 29 -2.995 5.310 9.933 1.00 0.00 N flip ATOM 0 H HIS A 29 -3.710 4.605 4.414 1.00 0.00 H new ATOM 0 HA HIS A 29 -1.637 6.116 5.819 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -2.006 3.152 6.386 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -0.703 4.173 6.960 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -1.241 5.924 8.892 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -4.799 4.230 10.271 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -2.936 5.877 10.779 1.00 0.00 H new ATOM 529 N LEU A 30 0.022 4.335 4.440 1.00 0.00 N ATOM 530 CA LEU A 30 0.788 3.755 3.366 1.00 0.00 C ATOM 531 C LEU A 30 1.365 2.443 3.853 1.00 0.00 C ATOM 532 O LEU A 30 1.882 2.372 4.967 1.00 0.00 O ATOM 533 CB LEU A 30 1.918 4.699 2.923 1.00 0.00 C ATOM 534 CG LEU A 30 2.654 4.295 1.642 1.00 0.00 C ATOM 535 CD1 LEU A 30 1.709 4.334 0.466 1.00 0.00 C ATOM 536 CD2 LEU A 30 3.838 5.203 1.383 1.00 0.00 C ATOM 0 H LEU A 30 0.559 4.540 5.283 1.00 0.00 H new ATOM 0 HA LEU A 30 0.141 3.589 2.504 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.500 5.696 2.782 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.646 4.770 3.732 1.00 0.00 H new ATOM 0 HG LEU A 30 3.025 3.279 1.772 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.243 4.045 -0.439 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.885 3.641 0.638 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.316 5.344 0.349 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.341 4.892 0.467 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.492 6.231 1.276 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.535 5.140 2.219 1.00 0.00 H new ATOM 548 N ALA A 31 1.240 1.415 3.063 1.00 0.00 N ATOM 549 CA ALA A 31 1.758 0.117 3.426 1.00 0.00 C ATOM 550 C ALA A 31 2.904 -0.276 2.513 1.00 0.00 C ATOM 551 O ALA A 31 3.226 0.410 1.565 1.00 0.00 O ATOM 552 CB ALA A 31 0.647 -0.911 3.383 1.00 0.00 C ATOM 0 H ALA A 31 0.780 1.447 2.153 1.00 0.00 H new ATOM 0 HA ALA A 31 2.147 0.162 4.443 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.044 -1.888 3.658 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -0.138 -0.628 4.085 1.00 0.00 H new ATOM 0 HB3 ALA A 31 0.233 -0.958 2.376 1.00 0.00 H new ATOM 558 N LYS A 32 3.558 -1.315 2.855 1.00 0.00 N ATOM 559 CA LYS A 32 4.603 -1.869 2.092 1.00 0.00 C ATOM 560 C LYS A 32 4.632 -3.313 2.439 1.00 0.00 C ATOM 561 O LYS A 32 4.992 -3.679 3.565 1.00 0.00 O ATOM 562 CB LYS A 32 5.951 -1.129 2.290 1.00 0.00 C ATOM 563 CG LYS A 32 6.447 -1.036 3.713 1.00 0.00 C ATOM 564 CD LYS A 32 7.563 -0.035 3.830 1.00 0.00 C ATOM 565 CE LYS A 32 8.068 0.060 5.250 1.00 0.00 C ATOM 566 NZ LYS A 32 8.968 1.201 5.414 1.00 0.00 N ATOM 0 H LYS A 32 3.370 -1.828 3.717 1.00 0.00 H new ATOM 0 HA LYS A 32 4.430 -1.749 1.023 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.711 -1.632 1.692 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.851 -0.119 1.893 1.00 0.00 H new ATOM 0 HG2 LYS A 32 5.626 -0.749 4.370 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.795 -2.014 4.045 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.381 -0.321 3.169 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.213 0.943 3.500 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.224 0.157 5.933 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.589 -0.859 5.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.327 1.223 6.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.766 1.111 4.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.452 2.082 5.215 1.00 0.00 H new ATOM 580 N ALA A 33 4.114 -4.104 1.568 1.00 0.00 N ATOM 581 CA ALA A 33 4.057 -5.533 1.801 1.00 0.00 C ATOM 582 C ALA A 33 5.445 -6.072 1.976 1.00 0.00 C ATOM 583 O ALA A 33 6.325 -5.808 1.163 1.00 0.00 O ATOM 584 CB ALA A 33 3.279 -6.257 0.702 1.00 0.00 C ATOM 0 H ALA A 33 3.718 -3.800 0.679 1.00 0.00 H new ATOM 0 HA ALA A 33 3.506 -5.718 2.723 1.00 0.00 H new ATOM 0 HB1 ALA A 33 3.260 -7.326 0.914 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.259 -5.875 0.667 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.763 -6.086 -0.259 1.00 0.00 H new ATOM 590 N CYS A 34 5.664 -6.741 3.057 1.00 0.00 N ATOM 591 CA CYS A 34 6.960 -7.264 3.334 1.00 0.00 C ATOM 592 C CYS A 34 6.849 -8.708 3.230 1.00 0.00 C ATOM 593 O CYS A 34 5.727 -9.241 3.243 1.00 0.00 O ATOM 594 CB CYS A 34 7.408 -6.986 4.785 1.00 0.00 C ATOM 595 SG CYS A 34 6.771 -8.214 6.040 1.00 0.00 S ATOM 0 H CYS A 34 4.959 -6.940 3.767 1.00 0.00 H new ATOM 0 HA CYS A 34 7.671 -6.807 2.646 1.00 0.00 H new ATOM 0 HB2 CYS A 34 8.497 -6.981 4.821 1.00 0.00 H new ATOM 0 HB3 CYS A 34 7.075 -5.988 5.070 1.00 0.00 H new ATOM 600 N CYS A 35 7.985 -9.352 3.180 1.00 0.00 N ATOM 601 CA CYS A 35 8.079 -10.765 3.330 1.00 0.00 C ATOM 602 C CYS A 35 7.293 -11.533 2.219 1.00 0.00 C ATOM 603 O CYS A 35 6.664 -10.932 1.333 1.00 0.00 O ATOM 604 CB CYS A 35 7.543 -11.060 4.750 1.00 0.00 C ATOM 605 SG CYS A 35 8.126 -9.814 6.036 1.00 0.00 S ATOM 0 H CYS A 35 8.883 -8.893 3.031 1.00 0.00 H new ATOM 0 HA CYS A 35 9.106 -11.113 3.216 1.00 0.00 H new ATOM 0 HB2 CYS A 35 6.453 -11.065 4.726 1.00 0.00 H new ATOM 0 HB3 CYS A 35 7.860 -12.059 5.051 1.00 0.00 H new ATOM 610 N ASP A 36 7.405 -12.827 2.206 1.00 0.00 N ATOM 611 CA ASP A 36 6.584 -13.630 1.314 1.00 0.00 C ATOM 612 C ASP A 36 5.215 -13.780 1.893 1.00 0.00 C ATOM 613 O ASP A 36 4.997 -14.540 2.848 1.00 0.00 O ATOM 614 CB ASP A 36 7.183 -15.001 0.991 1.00 0.00 C ATOM 615 CG ASP A 36 8.359 -14.917 0.067 1.00 0.00 C ATOM 616 OD1 ASP A 36 8.158 -14.863 -1.173 1.00 0.00 O ATOM 617 OD2 ASP A 36 9.507 -14.891 0.550 1.00 0.00 O ATOM 0 H ASP A 36 8.048 -13.358 2.793 1.00 0.00 H new ATOM 0 HA ASP A 36 6.536 -13.097 0.365 1.00 0.00 H new ATOM 0 HB2 ASP A 36 7.489 -15.486 1.918 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.416 -15.630 0.540 1.00 0.00 H new ATOM 622 N VAL A 37 4.302 -13.035 1.357 1.00 0.00 N ATOM 623 CA VAL A 37 2.956 -13.048 1.827 1.00 0.00 C ATOM 624 C VAL A 37 2.160 -14.050 1.050 1.00 0.00 C ATOM 625 O VAL A 37 2.542 -14.419 -0.083 1.00 0.00 O ATOM 626 CB VAL A 37 2.262 -11.668 1.742 1.00 0.00 C ATOM 627 CG1 VAL A 37 3.045 -10.615 2.478 1.00 0.00 C ATOM 628 CG2 VAL A 37 2.015 -11.249 0.313 1.00 0.00 C ATOM 0 H VAL A 37 4.471 -12.398 0.578 1.00 0.00 H new ATOM 0 HA VAL A 37 2.998 -13.319 2.882 1.00 0.00 H new ATOM 0 HB VAL A 37 1.291 -11.771 2.227 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.531 -9.657 2.399 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.133 -10.894 3.528 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.040 -10.530 2.041 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.526 -10.275 0.299 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.965 -11.186 -0.217 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.375 -11.983 -0.176 1.00 0.00 H new ATOM 638 N LYS A 38 1.112 -14.550 1.667 1.00 0.00 N ATOM 639 CA LYS A 38 0.208 -15.455 0.999 1.00 0.00 C ATOM 640 C LYS A 38 -0.344 -14.780 -0.210 1.00 0.00 C ATOM 641 O LYS A 38 -0.130 -15.242 -1.336 1.00 0.00 O ATOM 642 CB LYS A 38 -0.919 -15.895 1.917 1.00 0.00 C ATOM 643 CG LYS A 38 -0.439 -16.549 3.184 1.00 0.00 C ATOM 644 CD LYS A 38 0.499 -17.723 2.880 1.00 0.00 C ATOM 645 CE LYS A 38 -0.183 -18.825 2.067 1.00 0.00 C ATOM 646 NZ LYS A 38 0.794 -19.847 1.638 1.00 0.00 N ATOM 0 H LYS A 38 0.866 -14.343 2.635 1.00 0.00 H new ATOM 0 HA LYS A 38 0.758 -16.350 0.709 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.528 -15.028 2.173 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.564 -16.591 1.380 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.080 -15.816 3.801 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.294 -16.903 3.760 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.367 -17.357 2.332 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.866 -18.142 3.817 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -0.965 -19.293 2.665 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -0.668 -18.390 1.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.307 -20.584 1.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.526 -19.402 1.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.238 -20.276 2.475 1.00 0.00 H new ATOM 660 N GLY A 39 -0.999 -13.658 0.021 1.00 0.00 N ATOM 661 CA GLY A 39 -1.509 -12.874 -1.061 1.00 0.00 C ATOM 662 C GLY A 39 -2.448 -13.640 -1.982 1.00 0.00 C ATOM 663 O GLY A 39 -2.315 -13.565 -3.210 1.00 0.00 O ATOM 0 H GLY A 39 -1.184 -13.279 0.950 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.036 -12.011 -0.655 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.673 -12.491 -1.646 1.00 0.00 H new ATOM 667 N GLY A 40 -3.312 -14.428 -1.399 1.00 0.00 N ATOM 668 CA GLY A 40 -4.237 -15.256 -2.153 1.00 0.00 C ATOM 669 C GLY A 40 -5.314 -14.475 -2.920 1.00 0.00 C ATOM 670 O GLY A 40 -5.133 -13.303 -3.274 1.00 0.00 O ATOM 0 H GLY A 40 -3.400 -14.519 -0.387 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.670 -15.859 -2.862 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.727 -15.947 -1.467 1.00 0.00 H new ATOM 674 N LYS A 41 -6.446 -15.124 -3.129 1.00 0.00 N ATOM 675 CA LYS A 41 -7.538 -14.586 -3.944 1.00 0.00 C ATOM 676 C LYS A 41 -8.146 -13.307 -3.373 1.00 0.00 C ATOM 677 O LYS A 41 -8.292 -12.318 -4.088 1.00 0.00 O ATOM 678 CB LYS A 41 -8.628 -15.636 -4.167 1.00 0.00 C ATOM 679 CG LYS A 41 -8.164 -16.876 -4.919 1.00 0.00 C ATOM 680 CD LYS A 41 -9.298 -17.881 -5.091 1.00 0.00 C ATOM 681 CE LYS A 41 -10.458 -17.285 -5.876 1.00 0.00 C ATOM 682 NZ LYS A 41 -11.576 -18.231 -6.027 1.00 0.00 N ATOM 0 H LYS A 41 -6.641 -16.046 -2.738 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.092 -14.322 -4.903 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.025 -15.941 -3.199 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.449 -15.178 -4.718 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.780 -16.587 -5.898 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.341 -17.344 -4.379 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -8.926 -18.766 -5.606 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.649 -18.206 -4.112 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -10.812 -16.386 -5.371 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -10.108 -16.980 -6.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -12.341 -17.780 -6.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -11.248 -19.079 -6.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -11.930 -18.503 -5.088 1.00 0.00 H new ATOM 696 N ASN A 42 -8.503 -13.305 -2.099 1.00 0.00 N ATOM 697 CA ASN A 42 -9.086 -12.087 -1.497 1.00 0.00 C ATOM 698 C ASN A 42 -8.006 -11.133 -1.079 1.00 0.00 C ATOM 699 O ASN A 42 -8.278 -9.984 -0.741 1.00 0.00 O ATOM 700 CB ASN A 42 -9.989 -12.382 -0.290 1.00 0.00 C ATOM 701 CG ASN A 42 -9.248 -12.988 0.887 1.00 0.00 C ATOM 702 OD1 ASN A 42 -9.072 -14.189 0.962 1.00 0.00 O ATOM 703 ND2 ASN A 42 -8.835 -12.167 1.820 1.00 0.00 N ATOM 0 H ASN A 42 -8.409 -14.100 -1.467 1.00 0.00 H new ATOM 0 HA ASN A 42 -9.707 -11.639 -2.272 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -10.468 -11.457 0.030 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -10.783 -13.062 -0.598 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -8.350 -12.530 2.640 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -8.999 -11.165 1.726 1.00 0.00 H new ATOM 710 N GLU A 43 -6.790 -11.587 -1.138 1.00 0.00 N ATOM 711 CA GLU A 43 -5.684 -10.795 -0.730 1.00 0.00 C ATOM 712 C GLU A 43 -5.141 -10.040 -1.913 1.00 0.00 C ATOM 713 O GLU A 43 -5.671 -10.135 -3.038 1.00 0.00 O ATOM 714 CB GLU A 43 -4.592 -11.655 -0.104 1.00 0.00 C ATOM 715 CG GLU A 43 -4.971 -12.329 1.201 1.00 0.00 C ATOM 716 CD GLU A 43 -3.896 -13.271 1.681 1.00 0.00 C ATOM 717 OE1 GLU A 43 -2.956 -12.840 2.391 1.00 0.00 O ATOM 718 OE2 GLU A 43 -3.965 -14.473 1.345 1.00 0.00 O ATOM 0 H GLU A 43 -6.543 -12.519 -1.472 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.024 -10.088 0.026 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.301 -12.423 -0.820 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.715 -11.032 0.069 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.154 -11.570 1.962 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.903 -12.879 1.068 1.00 0.00 H new ATOM 725 N LEU A 44 -4.130 -9.284 -1.680 1.00 0.00 N ATOM 726 CA LEU A 44 -3.560 -8.484 -2.706 1.00 0.00 C ATOM 727 C LEU A 44 -2.510 -9.303 -3.422 1.00 0.00 C ATOM 728 O LEU A 44 -1.896 -10.206 -2.841 1.00 0.00 O ATOM 729 CB LEU A 44 -2.932 -7.229 -2.079 1.00 0.00 C ATOM 730 CG LEU A 44 -2.985 -5.908 -2.868 1.00 0.00 C ATOM 731 CD1 LEU A 44 -2.537 -4.768 -1.990 1.00 0.00 C ATOM 732 CD2 LEU A 44 -2.118 -5.950 -4.095 1.00 0.00 C ATOM 0 H LEU A 44 -3.673 -9.201 -0.772 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.322 -8.171 -3.419 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.417 -7.061 -1.118 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.885 -7.450 -1.873 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.018 -5.761 -3.185 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.577 -3.836 -2.555 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.195 -4.696 -1.124 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.515 -4.946 -1.656 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.186 -4.998 -4.621 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.083 -6.131 -3.803 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.455 -6.752 -4.752 1.00 0.00 H new ATOM 744 N SER A 45 -2.350 -9.034 -4.653 1.00 0.00 N ATOM 745 CA SER A 45 -1.310 -9.623 -5.427 1.00 0.00 C ATOM 746 C SER A 45 -0.129 -8.673 -5.345 1.00 0.00 C ATOM 747 O SER A 45 -0.025 -7.707 -6.098 1.00 0.00 O ATOM 748 CB SER A 45 -1.773 -9.864 -6.876 1.00 0.00 C ATOM 749 OG SER A 45 -0.792 -10.556 -7.647 1.00 0.00 O ATOM 0 H SER A 45 -2.943 -8.387 -5.173 1.00 0.00 H new ATOM 0 HA SER A 45 -1.029 -10.605 -5.045 1.00 0.00 H new ATOM 0 HB2 SER A 45 -2.699 -10.439 -6.869 1.00 0.00 H new ATOM 0 HB3 SER A 45 -1.995 -8.907 -7.348 1.00 0.00 H new ATOM 0 HG SER A 45 -1.127 -10.689 -8.558 1.00 0.00 H new ATOM 755 N PHE A 46 0.685 -8.903 -4.362 1.00 0.00 N ATOM 756 CA PHE A 46 1.800 -8.060 -4.044 1.00 0.00 C ATOM 757 C PHE A 46 2.941 -8.890 -3.553 1.00 0.00 C ATOM 758 O PHE A 46 2.807 -10.112 -3.412 1.00 0.00 O ATOM 759 CB PHE A 46 1.421 -6.949 -3.032 1.00 0.00 C ATOM 760 CG PHE A 46 0.726 -7.375 -1.730 1.00 0.00 C ATOM 761 CD1 PHE A 46 0.440 -8.693 -1.426 1.00 0.00 C ATOM 762 CD2 PHE A 46 0.361 -6.424 -0.825 1.00 0.00 C ATOM 763 CE1 PHE A 46 -0.188 -9.030 -0.248 1.00 0.00 C ATOM 764 CE2 PHE A 46 -0.261 -6.759 0.357 1.00 0.00 C ATOM 765 CZ PHE A 46 -0.533 -8.064 0.642 1.00 0.00 C ATOM 0 H PHE A 46 0.591 -9.705 -3.739 1.00 0.00 H new ATOM 0 HA PHE A 46 2.110 -7.548 -4.955 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.332 -6.413 -2.766 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.771 -6.238 -3.542 1.00 0.00 H new ATOM 0 HD1 PHE A 46 0.714 -9.471 -2.124 1.00 0.00 H new ATOM 0 HD2 PHE A 46 0.564 -5.385 -1.039 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -0.407 -10.065 -0.031 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.534 -5.986 1.060 1.00 0.00 H new ATOM 0 HZ PHE A 46 -1.020 -8.328 1.569 1.00 0.00 H new ATOM 775 N LYS A 47 4.046 -8.257 -3.285 1.00 0.00 N ATOM 776 CA LYS A 47 5.251 -8.951 -2.954 1.00 0.00 C ATOM 777 C LYS A 47 6.010 -8.254 -1.828 1.00 0.00 C ATOM 778 O LYS A 47 5.571 -7.249 -1.284 1.00 0.00 O ATOM 779 CB LYS A 47 6.144 -9.041 -4.200 1.00 0.00 C ATOM 780 CG LYS A 47 5.573 -9.861 -5.343 1.00 0.00 C ATOM 781 CD LYS A 47 6.457 -9.785 -6.568 1.00 0.00 C ATOM 782 CE LYS A 47 7.861 -10.309 -6.288 1.00 0.00 C ATOM 783 NZ LYS A 47 8.702 -10.288 -7.490 1.00 0.00 N ATOM 0 H LYS A 47 4.134 -7.241 -3.291 1.00 0.00 H new ATOM 0 HA LYS A 47 4.984 -9.950 -2.609 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.341 -8.031 -4.561 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.104 -9.469 -3.910 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.468 -10.900 -5.031 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.574 -9.500 -5.589 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.008 -10.363 -7.376 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.516 -8.752 -6.910 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.326 -9.704 -5.509 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.799 -11.328 -5.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.648 -10.652 -7.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.272 -10.885 -8.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.783 -9.312 -7.840 1.00 0.00 H new ATOM 797 N GLN A 48 7.167 -8.779 -1.580 1.00 0.00 N ATOM 798 CA GLN A 48 8.084 -8.382 -0.543 1.00 0.00 C ATOM 799 C GLN A 48 8.828 -7.140 -0.997 1.00 0.00 C ATOM 800 O GLN A 48 9.674 -7.197 -1.898 1.00 0.00 O ATOM 801 CB GLN A 48 9.069 -9.549 -0.273 1.00 0.00 C ATOM 802 CG GLN A 48 10.217 -9.237 0.667 1.00 0.00 C ATOM 803 CD GLN A 48 11.104 -10.439 0.881 1.00 0.00 C ATOM 804 OE1 GLN A 48 10.872 -11.246 1.783 1.00 0.00 O ATOM 805 NE2 GLN A 48 12.120 -10.572 0.075 1.00 0.00 N ATOM 0 H GLN A 48 7.529 -9.555 -2.135 1.00 0.00 H new ATOM 0 HA GLN A 48 7.551 -8.153 0.380 1.00 0.00 H new ATOM 0 HB2 GLN A 48 8.506 -10.388 0.137 1.00 0.00 H new ATOM 0 HB3 GLN A 48 9.483 -9.878 -1.226 1.00 0.00 H new ATOM 0 HG2 GLN A 48 10.808 -8.416 0.260 1.00 0.00 H new ATOM 0 HG3 GLN A 48 9.822 -8.901 1.626 1.00 0.00 H new ATOM 0 HE21 GLN A 48 12.281 -9.884 -0.661 1.00 0.00 H new ATOM 0 HE22 GLN A 48 12.754 -11.364 0.180 1.00 0.00 H new ATOM 814 N GLY A 49 8.467 -6.035 -0.437 1.00 0.00 N ATOM 815 CA GLY A 49 9.080 -4.786 -0.780 1.00 0.00 C ATOM 816 C GLY A 49 8.232 -4.024 -1.759 1.00 0.00 C ATOM 817 O GLY A 49 8.682 -3.038 -2.355 1.00 0.00 O ATOM 0 H GLY A 49 7.738 -5.967 0.273 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.228 -4.190 0.120 1.00 0.00 H new ATOM 0 HA3 GLY A 49 10.066 -4.966 -1.209 1.00 0.00 H new ATOM 821 N GLU A 50 7.005 -4.485 -1.932 1.00 0.00 N ATOM 822 CA GLU A 50 6.081 -3.855 -2.841 1.00 0.00 C ATOM 823 C GLU A 50 5.514 -2.576 -2.300 1.00 0.00 C ATOM 824 O GLU A 50 5.423 -2.373 -1.082 1.00 0.00 O ATOM 825 CB GLU A 50 4.965 -4.788 -3.275 1.00 0.00 C ATOM 826 CG GLU A 50 5.224 -5.426 -4.629 1.00 0.00 C ATOM 827 CD GLU A 50 5.471 -4.380 -5.710 1.00 0.00 C ATOM 828 OE1 GLU A 50 4.832 -3.304 -5.688 1.00 0.00 O ATOM 829 OE2 GLU A 50 6.298 -4.616 -6.613 1.00 0.00 O ATOM 0 H GLU A 50 6.630 -5.300 -1.448 1.00 0.00 H new ATOM 0 HA GLU A 50 6.671 -3.606 -3.723 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.841 -5.571 -2.527 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.028 -4.233 -3.313 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.087 -6.088 -4.560 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.371 -6.044 -4.909 1.00 0.00 H new ATOM 836 N GLN A 51 5.057 -1.756 -3.206 1.00 0.00 N ATOM 837 CA GLN A 51 4.592 -0.462 -2.874 1.00 0.00 C ATOM 838 C GLN A 51 3.112 -0.457 -3.013 1.00 0.00 C ATOM 839 O GLN A 51 2.553 -0.392 -4.112 1.00 0.00 O ATOM 840 CB GLN A 51 5.213 0.603 -3.778 1.00 0.00 C ATOM 841 CG GLN A 51 6.734 0.642 -3.748 1.00 0.00 C ATOM 842 CD GLN A 51 7.290 1.722 -4.643 1.00 0.00 C ATOM 843 OE1 GLN A 51 7.506 2.856 -4.214 1.00 0.00 O ATOM 844 NE2 GLN A 51 7.495 1.400 -5.890 1.00 0.00 N ATOM 0 H GLN A 51 5.002 -1.980 -4.199 1.00 0.00 H new ATOM 0 HA GLN A 51 4.882 -0.223 -1.851 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.886 0.428 -4.803 1.00 0.00 H new ATOM 0 HB3 GLN A 51 4.830 1.580 -3.484 1.00 0.00 H new ATOM 0 HG2 GLN A 51 7.072 0.809 -2.725 1.00 0.00 H new ATOM 0 HG3 GLN A 51 7.128 -0.325 -4.060 1.00 0.00 H new ATOM 0 HE21 GLN A 51 7.305 0.450 -6.209 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.846 2.098 -6.546 1.00 0.00 H new ATOM 853 N ILE A 52 2.513 -0.645 -1.913 1.00 0.00 N ATOM 854 CA ILE A 52 1.069 -0.602 -1.758 1.00 0.00 C ATOM 855 C ILE A 52 0.605 0.509 -0.834 1.00 0.00 C ATOM 856 O ILE A 52 1.350 1.044 -0.060 1.00 0.00 O ATOM 857 CB ILE A 52 0.546 -1.906 -1.206 1.00 0.00 C ATOM 858 CG1 ILE A 52 1.207 -2.205 0.101 1.00 0.00 C ATOM 859 CG2 ILE A 52 0.779 -3.022 -2.169 1.00 0.00 C ATOM 860 CD1 ILE A 52 0.765 -3.477 0.665 1.00 0.00 C ATOM 0 H ILE A 52 3.007 -0.843 -1.043 1.00 0.00 H new ATOM 0 HA ILE A 52 0.676 -0.416 -2.757 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.529 -1.810 -1.051 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.288 -2.227 -0.037 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.992 -1.403 0.807 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.394 -3.951 -1.749 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.266 -2.807 -3.106 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.848 -3.124 -2.356 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.273 -3.650 1.614 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.312 -3.447 0.830 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.004 -4.284 -0.027 1.00 0.00 H new ATOM 872 N GLU A 53 -0.607 0.869 -0.961 1.00 0.00 N ATOM 873 CA GLU A 53 -1.212 1.840 -0.095 1.00 0.00 C ATOM 874 C GLU A 53 -2.563 1.331 0.370 1.00 0.00 C ATOM 875 O GLU A 53 -3.273 0.701 -0.410 1.00 0.00 O ATOM 876 CB GLU A 53 -1.324 3.170 -0.821 1.00 0.00 C ATOM 877 CG GLU A 53 -1.784 3.043 -2.261 1.00 0.00 C ATOM 878 CD GLU A 53 -2.011 4.367 -2.917 1.00 0.00 C ATOM 879 OE1 GLU A 53 -1.035 5.079 -3.213 1.00 0.00 O ATOM 880 OE2 GLU A 53 -3.162 4.727 -3.152 1.00 0.00 O ATOM 0 H GLU A 53 -1.233 0.501 -1.677 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.593 1.996 0.789 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.022 3.811 -0.281 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.354 3.667 -0.801 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.038 2.485 -2.828 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.707 2.464 -2.293 1.00 0.00 H new ATOM 887 N ILE A 54 -2.906 1.533 1.643 1.00 0.00 N ATOM 888 CA ILE A 54 -4.216 1.056 2.103 1.00 0.00 C ATOM 889 C ILE A 54 -5.224 2.190 2.213 1.00 0.00 C ATOM 890 O ILE A 54 -4.948 3.274 2.778 1.00 0.00 O ATOM 891 CB ILE A 54 -4.242 0.148 3.407 1.00 0.00 C ATOM 892 CG1 ILE A 54 -4.119 0.939 4.702 1.00 0.00 C ATOM 893 CG2 ILE A 54 -3.154 -0.916 3.365 1.00 0.00 C ATOM 894 CD1 ILE A 54 -2.816 1.617 4.867 1.00 0.00 C ATOM 0 H ILE A 54 -2.331 1.999 2.345 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.509 0.371 1.307 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.224 -0.326 3.404 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -4.913 1.685 4.738 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -4.276 0.265 5.544 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.200 -1.519 4.272 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -3.304 -1.556 2.495 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.178 -0.436 3.298 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.805 2.159 5.813 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.017 0.875 4.865 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.664 2.317 4.046 1.00 0.00 H new ATOM 906 N ILE A 55 -6.368 1.932 1.672 1.00 0.00 N ATOM 907 CA ILE A 55 -7.447 2.883 1.602 1.00 0.00 C ATOM 908 C ILE A 55 -8.505 2.548 2.652 1.00 0.00 C ATOM 909 O ILE A 55 -9.141 3.432 3.202 1.00 0.00 O ATOM 910 CB ILE A 55 -8.089 2.886 0.168 1.00 0.00 C ATOM 911 CG1 ILE A 55 -7.184 3.541 -0.906 1.00 0.00 C ATOM 912 CG2 ILE A 55 -9.497 3.465 0.128 1.00 0.00 C ATOM 913 CD1 ILE A 55 -5.972 2.730 -1.322 1.00 0.00 C ATOM 0 H ILE A 55 -6.593 1.030 1.252 1.00 0.00 H new ATOM 0 HA ILE A 55 -7.048 3.878 1.802 1.00 0.00 H new ATOM 0 HB ILE A 55 -8.179 1.830 -0.087 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.787 3.741 -1.792 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -6.842 4.505 -0.529 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -9.874 3.434 -0.894 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -10.150 2.878 0.774 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -9.476 4.498 0.475 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.408 3.279 -2.076 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.338 2.552 -0.454 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.297 1.775 -1.736 1.00 0.00 H new ATOM 925 N ARG A 56 -8.665 1.284 2.948 1.00 0.00 N ATOM 926 CA ARG A 56 -9.685 0.860 3.889 1.00 0.00 C ATOM 927 C ARG A 56 -9.080 0.233 5.125 1.00 0.00 C ATOM 928 O ARG A 56 -8.274 -0.703 5.026 1.00 0.00 O ATOM 929 CB ARG A 56 -10.671 -0.110 3.221 1.00 0.00 C ATOM 930 CG ARG A 56 -11.625 -0.810 4.183 1.00 0.00 C ATOM 931 CD ARG A 56 -12.563 -1.760 3.458 1.00 0.00 C ATOM 932 NE ARG A 56 -13.504 -1.045 2.602 1.00 0.00 N ATOM 933 CZ ARG A 56 -14.396 -1.601 1.779 1.00 0.00 C ATOM 934 NH1 ARG A 56 -14.432 -2.925 1.592 1.00 0.00 N ATOM 935 NH2 ARG A 56 -15.240 -0.815 1.143 1.00 0.00 N ATOM 0 H ARG A 56 -8.106 0.527 2.555 1.00 0.00 H new ATOM 0 HA ARG A 56 -10.230 1.750 4.203 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -11.257 0.439 2.484 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.104 -0.866 2.678 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -11.050 -1.363 4.926 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -12.209 -0.064 4.722 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -11.980 -2.456 2.855 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -13.114 -2.354 4.187 1.00 0.00 H new ATOM 0 HE ARG A 56 -13.478 -0.026 2.636 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -13.771 -3.527 2.082 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -15.121 -3.332 0.959 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -15.203 0.194 1.285 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -15.931 -1.216 0.509 1.00 0.00 H new ATOM 949 N ILE A 57 -9.473 0.743 6.271 1.00 0.00 N ATOM 950 CA ILE A 57 -9.061 0.205 7.546 1.00 0.00 C ATOM 951 C ILE A 57 -10.235 -0.585 8.089 1.00 0.00 C ATOM 952 O ILE A 57 -11.213 -0.016 8.594 1.00 0.00 O ATOM 953 CB ILE A 57 -8.664 1.325 8.560 1.00 0.00 C ATOM 954 CG1 ILE A 57 -7.536 2.203 7.997 1.00 0.00 C ATOM 955 CG2 ILE A 57 -8.260 0.741 9.911 1.00 0.00 C ATOM 956 CD1 ILE A 57 -6.281 1.455 7.613 1.00 0.00 C ATOM 0 H ILE A 57 -10.093 1.550 6.344 1.00 0.00 H new ATOM 0 HA ILE A 57 -8.177 -0.418 7.410 1.00 0.00 H new ATOM 0 HB ILE A 57 -9.544 1.949 8.714 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -7.910 2.731 7.120 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -7.279 2.959 8.739 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -7.990 1.549 10.591 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -9.095 0.179 10.329 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -7.405 0.077 9.780 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.543 2.157 7.226 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.876 0.949 8.490 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -6.517 0.718 6.845 1.00 0.00 H new ATOM 968 N THR A 58 -10.180 -1.856 7.904 1.00 0.00 N ATOM 969 CA THR A 58 -11.241 -2.722 8.291 1.00 0.00 C ATOM 970 C THR A 58 -10.986 -3.404 9.630 1.00 0.00 C ATOM 971 O THR A 58 -9.857 -3.790 9.952 1.00 0.00 O ATOM 972 CB THR A 58 -11.440 -3.770 7.203 1.00 0.00 C ATOM 973 OG1 THR A 58 -10.398 -3.618 6.210 1.00 0.00 O ATOM 974 CG2 THR A 58 -12.787 -3.600 6.549 1.00 0.00 C ATOM 0 H THR A 58 -9.387 -2.332 7.474 1.00 0.00 H new ATOM 0 HA THR A 58 -12.139 -2.117 8.414 1.00 0.00 H new ATOM 0 HB THR A 58 -11.392 -4.764 7.648 1.00 0.00 H new ATOM 0 HG1 THR A 58 -10.003 -4.493 6.014 1.00 0.00 H new ATOM 0 HG21 THR A 58 -12.913 -4.356 5.774 1.00 0.00 H new ATOM 0 HG22 THR A 58 -13.572 -3.712 7.297 1.00 0.00 H new ATOM 0 HG23 THR A 58 -12.852 -2.608 6.102 1.00 0.00 H new ATOM 1037 N GLY A 63 -10.396 -9.646 8.837 1.00 0.00 N ATOM 1038 CA GLY A 63 -9.123 -9.389 9.471 1.00 0.00 C ATOM 1039 C GLY A 63 -8.094 -8.947 8.493 1.00 0.00 C ATOM 1040 O GLY A 63 -6.920 -9.267 8.621 1.00 0.00 O ATOM 0 HA2 GLY A 63 -9.247 -8.624 10.237 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.780 -10.292 9.975 1.00 0.00 H new ATOM 1044 N LYS A 64 -8.536 -8.266 7.477 1.00 0.00 N ATOM 1045 CA LYS A 64 -7.670 -7.812 6.434 1.00 0.00 C ATOM 1046 C LYS A 64 -7.980 -6.357 6.139 1.00 0.00 C ATOM 1047 O LYS A 64 -9.090 -5.896 6.409 1.00 0.00 O ATOM 1048 CB LYS A 64 -7.907 -8.622 5.166 1.00 0.00 C ATOM 1049 CG LYS A 64 -7.812 -10.136 5.299 1.00 0.00 C ATOM 1050 CD LYS A 64 -6.427 -10.625 5.656 1.00 0.00 C ATOM 1051 CE LYS A 64 -6.403 -12.148 5.793 1.00 0.00 C ATOM 1052 NZ LYS A 64 -7.191 -12.638 6.954 1.00 0.00 N ATOM 0 H LYS A 64 -9.515 -8.009 7.350 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.634 -7.930 6.753 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.897 -8.375 4.783 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.185 -8.300 4.415 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -8.515 -10.470 6.062 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.120 -10.595 4.360 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.718 -10.314 4.888 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.105 -10.167 6.591 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.795 -12.596 4.880 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.370 -12.482 5.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -7.016 -13.654 7.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -6.905 -12.122 7.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.204 -12.481 6.777 1.00 0.00 H new ATOM 1066 N TRP A 65 -7.022 -5.657 5.601 1.00 0.00 N ATOM 1067 CA TRP A 65 -7.172 -4.261 5.199 1.00 0.00 C ATOM 1068 C TRP A 65 -7.200 -4.149 3.704 1.00 0.00 C ATOM 1069 O TRP A 65 -6.634 -4.972 3.028 1.00 0.00 O ATOM 1070 CB TRP A 65 -6.025 -3.423 5.735 1.00 0.00 C ATOM 1071 CG TRP A 65 -6.187 -3.016 7.155 1.00 0.00 C ATOM 1072 CD1 TRP A 65 -7.213 -3.330 7.992 1.00 0.00 C ATOM 1073 CD2 TRP A 65 -5.301 -2.194 7.894 1.00 0.00 C ATOM 1074 NE1 TRP A 65 -7.026 -2.745 9.206 1.00 0.00 N ATOM 1075 CE2 TRP A 65 -5.847 -2.038 9.178 1.00 0.00 C ATOM 1076 CE3 TRP A 65 -4.090 -1.572 7.593 1.00 0.00 C ATOM 1077 CZ2 TRP A 65 -5.227 -1.278 10.159 1.00 0.00 C ATOM 1078 CZ3 TRP A 65 -3.475 -0.826 8.558 1.00 0.00 C ATOM 1079 CH2 TRP A 65 -4.042 -0.678 9.832 1.00 0.00 C ATOM 0 H TRP A 65 -6.092 -6.035 5.420 1.00 0.00 H new ATOM 0 HA TRP A 65 -8.111 -3.893 5.612 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -5.098 -3.987 5.633 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -5.924 -2.528 5.120 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -8.055 -3.954 7.730 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -7.656 -2.819 10.005 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -3.646 -1.678 6.614 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -5.662 -1.165 11.141 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -2.536 -0.342 8.336 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -3.532 -0.077 10.571 1.00 0.00 H new ATOM 1090 N LEU A 66 -7.845 -3.146 3.184 1.00 0.00 N ATOM 1091 CA LEU A 66 -7.900 -2.996 1.753 1.00 0.00 C ATOM 1092 C LEU A 66 -6.777 -2.109 1.286 1.00 0.00 C ATOM 1093 O LEU A 66 -6.753 -0.892 1.564 1.00 0.00 O ATOM 1094 CB LEU A 66 -9.300 -2.511 1.271 1.00 0.00 C ATOM 1095 CG LEU A 66 -9.541 -2.291 -0.259 1.00 0.00 C ATOM 1096 CD1 LEU A 66 -8.955 -0.971 -0.757 1.00 0.00 C ATOM 1097 CD2 LEU A 66 -8.973 -3.449 -1.069 1.00 0.00 C ATOM 0 H LEU A 66 -8.335 -2.427 3.717 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.760 -3.974 1.293 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -10.037 -3.235 1.619 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.514 -1.569 1.777 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.621 -2.247 -0.402 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.149 -0.866 -1.824 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.418 -0.142 -0.221 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.879 -0.961 -0.581 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -9.153 -3.274 -2.130 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.901 -3.526 -0.890 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.459 -4.377 -0.767 1.00 0.00 H new ATOM 1109 N GLY A 67 -5.857 -2.718 0.608 1.00 0.00 N ATOM 1110 CA GLY A 67 -4.752 -2.031 0.048 1.00 0.00 C ATOM 1111 C GLY A 67 -4.781 -2.138 -1.447 1.00 0.00 C ATOM 1112 O GLY A 67 -5.644 -2.806 -1.999 1.00 0.00 O ATOM 0 H GLY A 67 -5.858 -3.722 0.429 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.777 -0.983 0.346 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.822 -2.449 0.432 1.00 0.00 H new ATOM 1116 N ARG A 68 -3.866 -1.497 -2.088 1.00 0.00 N ATOM 1117 CA ARG A 68 -3.720 -1.531 -3.519 1.00 0.00 C ATOM 1118 C ARG A 68 -2.270 -1.302 -3.846 1.00 0.00 C ATOM 1119 O ARG A 68 -1.601 -0.552 -3.142 1.00 0.00 O ATOM 1120 CB ARG A 68 -4.593 -0.461 -4.222 1.00 0.00 C ATOM 1121 CG ARG A 68 -4.163 0.998 -4.027 1.00 0.00 C ATOM 1122 CD ARG A 68 -5.085 1.926 -4.799 1.00 0.00 C ATOM 1123 NE ARG A 68 -4.635 3.315 -4.830 1.00 0.00 N ATOM 1124 CZ ARG A 68 -4.915 4.188 -5.806 1.00 0.00 C ATOM 1125 NH1 ARG A 68 -5.815 3.891 -6.746 1.00 0.00 N ATOM 1126 NH2 ARG A 68 -4.351 5.385 -5.799 1.00 0.00 N ATOM 0 H ARG A 68 -3.171 -0.913 -1.624 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.056 -2.503 -3.882 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -4.603 -0.675 -5.291 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.618 -0.567 -3.866 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.184 1.252 -2.967 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.136 1.130 -4.366 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.178 1.561 -5.822 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -6.080 1.886 -4.355 1.00 0.00 H new ATOM 0 HE ARG A 68 -4.065 3.644 -4.051 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -6.297 2.992 -6.725 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.021 4.563 -7.485 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -3.705 5.640 -5.052 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -4.562 6.053 -6.541 1.00 0.00 H new ATOM 1140 N THR A 69 -1.777 -1.962 -4.846 1.00 0.00 N ATOM 1141 CA THR A 69 -0.438 -1.743 -5.311 1.00 0.00 C ATOM 1142 C THR A 69 -0.394 -0.464 -6.122 1.00 0.00 C ATOM 1143 O THR A 69 -1.449 0.049 -6.541 1.00 0.00 O ATOM 1144 CB THR A 69 0.025 -2.915 -6.203 1.00 0.00 C ATOM 1145 OG1 THR A 69 -1.047 -3.331 -7.076 1.00 0.00 O ATOM 1146 CG2 THR A 69 0.519 -4.095 -5.391 1.00 0.00 C ATOM 0 H THR A 69 -2.292 -2.672 -5.367 1.00 0.00 H new ATOM 0 HA THR A 69 0.224 -1.669 -4.448 1.00 0.00 H new ATOM 0 HB THR A 69 0.864 -2.555 -6.799 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.752 -4.094 -7.615 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.833 -4.893 -6.063 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.364 -3.785 -4.776 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.284 -4.457 -4.749 1.00 0.00 H new ATOM 1154 N ALA A 70 0.800 0.032 -6.385 1.00 0.00 N ATOM 1155 CA ALA A 70 0.976 1.184 -7.246 1.00 0.00 C ATOM 1156 C ALA A 70 0.547 0.806 -8.668 1.00 0.00 C ATOM 1157 O ALA A 70 0.192 1.662 -9.481 1.00 0.00 O ATOM 1158 CB ALA A 70 2.425 1.648 -7.227 1.00 0.00 C ATOM 0 H ALA A 70 1.669 -0.349 -6.011 1.00 0.00 H new ATOM 0 HA ALA A 70 0.360 2.008 -6.887 1.00 0.00 H new ATOM 0 HB1 ALA A 70 2.538 2.514 -7.879 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.706 1.921 -6.210 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.070 0.842 -7.578 1.00 0.00 H new ATOM 1164 N ARG A 71 0.541 -0.511 -8.918 1.00 0.00 N ATOM 1165 CA ARG A 71 0.108 -1.098 -10.181 1.00 0.00 C ATOM 1166 C ARG A 71 -1.402 -0.882 -10.366 1.00 0.00 C ATOM 1167 O ARG A 71 -1.901 -0.825 -11.488 1.00 0.00 O ATOM 1168 CB ARG A 71 0.303 -2.612 -10.142 1.00 0.00 C ATOM 1169 CG ARG A 71 1.660 -3.137 -9.723 1.00 0.00 C ATOM 1170 CD ARG A 71 1.576 -4.650 -9.634 1.00 0.00 C ATOM 1171 NE ARG A 71 2.747 -5.292 -9.034 1.00 0.00 N ATOM 1172 CZ ARG A 71 2.723 -6.530 -8.504 1.00 0.00 C ATOM 1173 NH1 ARG A 71 1.587 -7.217 -8.457 1.00 0.00 N ATOM 1174 NH2 ARG A 71 3.823 -7.092 -8.037 1.00 0.00 N ATOM 0 H ARG A 71 0.843 -1.204 -8.233 1.00 0.00 H new ATOM 0 HA ARG A 71 0.686 -0.633 -10.980 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.442 -3.029 -9.464 1.00 0.00 H new ATOM 0 HB3 ARG A 71 0.084 -3.004 -11.135 1.00 0.00 H new ATOM 0 HG2 ARG A 71 2.422 -2.840 -10.444 1.00 0.00 H new ATOM 0 HG3 ARG A 71 1.950 -2.715 -8.761 1.00 0.00 H new ATOM 0 HD2 ARG A 71 0.694 -4.918 -9.053 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.432 -5.052 -10.637 1.00 0.00 H new ATOM 0 HE ARG A 71 3.626 -4.775 -9.016 1.00 0.00 H new ATOM 0 HH11 ARG A 71 0.728 -6.807 -8.823 1.00 0.00 H new ATOM 0 HH12 ARG A 71 1.574 -8.154 -8.055 1.00 0.00 H new ATOM 0 HH21 ARG A 71 4.709 -6.588 -8.074 1.00 0.00 H new ATOM 0 HH22 ARG A 71 3.787 -8.030 -7.639 1.00 0.00 H new ATOM 1188 N GLY A 72 -2.113 -0.749 -9.254 1.00 0.00 N ATOM 1189 CA GLY A 72 -3.543 -0.586 -9.309 1.00 0.00 C ATOM 1190 C GLY A 72 -4.315 -1.857 -8.960 1.00 0.00 C ATOM 1191 O GLY A 72 -5.481 -1.981 -9.302 1.00 0.00 O ATOM 0 H GLY A 72 -1.718 -0.752 -8.314 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.837 0.208 -8.623 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.826 -0.262 -10.311 1.00 0.00 H new ATOM 1195 N SER A 73 -3.688 -2.789 -8.275 1.00 0.00 N ATOM 1196 CA SER A 73 -4.364 -3.990 -7.873 1.00 0.00 C ATOM 1197 C SER A 73 -4.676 -3.902 -6.408 1.00 0.00 C ATOM 1198 O SER A 73 -3.795 -3.711 -5.590 1.00 0.00 O ATOM 1199 CB SER A 73 -3.532 -5.236 -8.181 1.00 0.00 C ATOM 1200 OG SER A 73 -3.328 -5.382 -9.587 1.00 0.00 O ATOM 0 H SER A 73 -2.711 -2.732 -7.988 1.00 0.00 H new ATOM 0 HA SER A 73 -5.290 -4.082 -8.441 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.569 -5.168 -7.676 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.036 -6.120 -7.790 1.00 0.00 H new ATOM 0 HG SER A 73 -2.792 -6.184 -9.758 1.00 0.00 H new ATOM 1206 N TYR A 74 -5.919 -3.982 -6.104 1.00 0.00 N ATOM 1207 CA TYR A 74 -6.411 -3.870 -4.744 1.00 0.00 C ATOM 1208 C TYR A 74 -6.516 -5.244 -4.117 1.00 0.00 C ATOM 1209 O TYR A 74 -6.719 -6.240 -4.826 1.00 0.00 O ATOM 1210 CB TYR A 74 -7.788 -3.197 -4.732 1.00 0.00 C ATOM 1211 CG TYR A 74 -7.824 -1.774 -5.268 1.00 0.00 C ATOM 1212 CD1 TYR A 74 -7.531 -1.494 -6.604 1.00 0.00 C ATOM 1213 CD2 TYR A 74 -8.167 -0.718 -4.444 1.00 0.00 C ATOM 1214 CE1 TYR A 74 -7.579 -0.213 -7.092 1.00 0.00 C ATOM 1215 CE2 TYR A 74 -8.218 0.571 -4.929 1.00 0.00 C ATOM 1216 CZ TYR A 74 -7.921 0.814 -6.256 1.00 0.00 C ATOM 1217 OH TYR A 74 -7.953 2.095 -6.736 1.00 0.00 O ATOM 0 H TYR A 74 -6.654 -4.130 -6.795 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.711 -3.263 -4.170 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -8.476 -3.806 -5.319 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -8.162 -3.191 -3.708 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -7.261 -2.303 -7.267 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.398 -0.906 -3.406 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -7.348 -0.017 -8.129 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.489 1.387 -4.275 1.00 0.00 H new ATOM 0 HH TYR A 74 -8.857 2.460 -6.634 1.00 0.00 H new ATOM 1227 N GLY A 75 -6.349 -5.320 -2.825 1.00 0.00 N ATOM 1228 CA GLY A 75 -6.472 -6.590 -2.156 1.00 0.00 C ATOM 1229 C GLY A 75 -6.569 -6.464 -0.666 1.00 0.00 C ATOM 1230 O GLY A 75 -6.132 -5.458 -0.099 1.00 0.00 O ATOM 0 H GLY A 75 -6.130 -4.529 -2.219 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.357 -7.106 -2.529 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.612 -7.211 -2.407 1.00 0.00 H new ATOM 1234 N TYR A 76 -7.159 -7.465 -0.032 1.00 0.00 N ATOM 1235 CA TYR A 76 -7.215 -7.529 1.405 1.00 0.00 C ATOM 1236 C TYR A 76 -5.890 -8.025 1.955 1.00 0.00 C ATOM 1237 O TYR A 76 -5.471 -9.132 1.702 1.00 0.00 O ATOM 1238 CB TYR A 76 -8.403 -8.372 1.911 1.00 0.00 C ATOM 1239 CG TYR A 76 -9.706 -7.595 2.057 1.00 0.00 C ATOM 1240 CD1 TYR A 76 -9.685 -6.264 2.437 1.00 0.00 C ATOM 1241 CD2 TYR A 76 -10.947 -8.197 1.866 1.00 0.00 C ATOM 1242 CE1 TYR A 76 -10.844 -5.539 2.618 1.00 0.00 C ATOM 1243 CE2 TYR A 76 -12.124 -7.472 2.043 1.00 0.00 C ATOM 1244 CZ TYR A 76 -12.060 -6.138 2.422 1.00 0.00 C ATOM 1245 OH TYR A 76 -13.224 -5.400 2.609 1.00 0.00 O ATOM 0 H TYR A 76 -7.609 -8.249 -0.504 1.00 0.00 H new ATOM 0 HA TYR A 76 -7.387 -6.520 1.780 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -8.564 -9.202 1.223 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -8.141 -8.805 2.877 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -8.733 -5.779 2.596 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -10.998 -9.237 1.578 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -10.793 -4.501 2.914 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -13.082 -7.946 1.886 1.00 0.00 H new ATOM 0 HH TYR A 76 -14.003 -5.967 2.430 1.00 0.00 H new ATOM 1255 N ILE A 77 -5.254 -7.187 2.685 1.00 0.00 N ATOM 1256 CA ILE A 77 -3.940 -7.419 3.196 1.00 0.00 C ATOM 1257 C ILE A 77 -4.023 -7.854 4.638 1.00 0.00 C ATOM 1258 O ILE A 77 -4.832 -7.322 5.390 1.00 0.00 O ATOM 1259 CB ILE A 77 -3.155 -6.083 3.205 1.00 0.00 C ATOM 1260 CG1 ILE A 77 -3.113 -5.441 1.842 1.00 0.00 C ATOM 1261 CG2 ILE A 77 -1.753 -6.329 3.662 1.00 0.00 C ATOM 1262 CD1 ILE A 77 -2.616 -4.025 1.853 1.00 0.00 C ATOM 0 H ILE A 77 -5.642 -6.284 2.958 1.00 0.00 H new ATOM 0 HA ILE A 77 -3.459 -8.175 2.575 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.672 -5.407 3.886 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.473 -6.036 1.190 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.114 -5.461 1.410 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.202 -5.389 3.668 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.767 -6.748 4.668 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.267 -7.030 2.984 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.615 -3.632 0.836 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -3.269 -3.415 2.477 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.603 -3.998 2.254 1.00 0.00 H new ATOM 1274 N LYS A 78 -3.201 -8.807 5.033 1.00 0.00 N ATOM 1275 CA LYS A 78 -3.071 -9.078 6.444 1.00 0.00 C ATOM 1276 C LYS A 78 -2.302 -7.907 7.023 1.00 0.00 C ATOM 1277 O LYS A 78 -1.332 -7.474 6.430 1.00 0.00 O ATOM 1278 CB LYS A 78 -2.292 -10.361 6.716 1.00 0.00 C ATOM 1279 CG LYS A 78 -2.967 -11.628 6.252 1.00 0.00 C ATOM 1280 CD LYS A 78 -2.142 -12.855 6.598 1.00 0.00 C ATOM 1281 CE LYS A 78 -0.871 -12.941 5.769 1.00 0.00 C ATOM 1282 NZ LYS A 78 -0.059 -14.108 6.148 1.00 0.00 N ATOM 0 H LYS A 78 -2.632 -9.388 4.417 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.058 -9.205 6.888 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.319 -10.287 6.231 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -2.109 -10.437 7.788 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.951 -11.708 6.714 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -3.123 -11.585 5.174 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -1.883 -12.831 7.657 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.741 -13.751 6.437 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -1.128 -13.003 4.712 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.286 -12.031 5.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 0.801 -14.137 5.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 0.206 -14.035 7.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -0.609 -14.977 5.998 1.00 0.00 H new ATOM 1296 N THR A 79 -2.674 -7.437 8.167 1.00 0.00 N ATOM 1297 CA THR A 79 -2.060 -6.233 8.723 1.00 0.00 C ATOM 1298 C THR A 79 -0.599 -6.472 9.135 1.00 0.00 C ATOM 1299 O THR A 79 0.162 -5.544 9.380 1.00 0.00 O ATOM 1300 CB THR A 79 -2.890 -5.746 9.907 1.00 0.00 C ATOM 1301 OG1 THR A 79 -2.993 -6.803 10.878 1.00 0.00 O ATOM 1302 CG2 THR A 79 -4.278 -5.400 9.425 1.00 0.00 C ATOM 0 H THR A 79 -3.399 -7.854 8.751 1.00 0.00 H new ATOM 0 HA THR A 79 -2.044 -5.464 7.950 1.00 0.00 H new ATOM 0 HB THR A 79 -2.416 -4.872 10.353 1.00 0.00 H new ATOM 0 HG1 THR A 79 -3.524 -6.495 11.642 1.00 0.00 H new ATOM 0 HG21 THR A 79 -4.878 -5.051 10.265 1.00 0.00 H new ATOM 0 HG22 THR A 79 -4.216 -4.615 8.672 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.743 -6.284 8.990 1.00 0.00 H new ATOM 1310 N THR A 80 -0.237 -7.726 9.171 1.00 0.00 N ATOM 1311 CA THR A 80 1.088 -8.166 9.508 1.00 0.00 C ATOM 1312 C THR A 80 1.874 -8.483 8.214 1.00 0.00 C ATOM 1313 O THR A 80 3.097 -8.623 8.215 1.00 0.00 O ATOM 1314 CB THR A 80 0.975 -9.412 10.414 1.00 0.00 C ATOM 1315 OG1 THR A 80 2.261 -9.939 10.769 1.00 0.00 O ATOM 1316 CG2 THR A 80 0.129 -10.480 9.741 1.00 0.00 C ATOM 0 H THR A 80 -0.876 -8.492 8.960 1.00 0.00 H new ATOM 0 HA THR A 80 1.628 -7.386 10.044 1.00 0.00 H new ATOM 0 HB THR A 80 0.487 -9.101 11.338 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.145 -10.725 11.343 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.059 -11.352 10.391 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.870 -10.087 9.551 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.591 -10.768 8.797 1.00 0.00 H new ATOM 1324 N ALA A 81 1.146 -8.545 7.100 1.00 0.00 N ATOM 1325 CA ALA A 81 1.752 -8.808 5.797 1.00 0.00 C ATOM 1326 C ALA A 81 2.421 -7.547 5.296 1.00 0.00 C ATOM 1327 O ALA A 81 3.258 -7.577 4.398 1.00 0.00 O ATOM 1328 CB ALA A 81 0.708 -9.314 4.774 1.00 0.00 C ATOM 0 H ALA A 81 0.134 -8.416 7.074 1.00 0.00 H new ATOM 0 HA ALA A 81 2.496 -9.596 5.913 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.196 -9.499 3.817 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.261 -10.239 5.138 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.070 -8.561 4.645 1.00 0.00 H new ATOM 1334 N VAL A 82 2.073 -6.431 5.906 1.00 0.00 N ATOM 1335 CA VAL A 82 2.603 -5.156 5.488 1.00 0.00 C ATOM 1336 C VAL A 82 3.141 -4.358 6.621 1.00 0.00 C ATOM 1337 O VAL A 82 2.750 -4.536 7.772 1.00 0.00 O ATOM 1338 CB VAL A 82 1.586 -4.296 4.693 1.00 0.00 C ATOM 1339 CG1 VAL A 82 1.242 -4.993 3.442 1.00 0.00 C ATOM 1340 CG2 VAL A 82 0.311 -4.027 5.474 1.00 0.00 C ATOM 0 H VAL A 82 1.425 -6.385 6.693 1.00 0.00 H new ATOM 0 HA VAL A 82 3.424 -5.414 4.818 1.00 0.00 H new ATOM 0 HB VAL A 82 2.058 -3.334 4.493 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.527 -4.395 2.877 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.144 -5.139 2.847 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.800 -5.962 3.675 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.365 -3.421 4.870 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -0.172 -4.973 5.720 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.553 -3.494 6.393 1.00 0.00 H new ATOM 1350 N GLU A 83 4.058 -3.507 6.288 1.00 0.00 N ATOM 1351 CA GLU A 83 4.616 -2.577 7.198 1.00 0.00 C ATOM 1352 C GLU A 83 3.931 -1.256 6.914 1.00 0.00 C ATOM 1353 O GLU A 83 4.173 -0.635 5.888 1.00 0.00 O ATOM 1354 CB GLU A 83 6.129 -2.452 6.974 1.00 0.00 C ATOM 1355 CG GLU A 83 6.899 -3.765 7.061 1.00 0.00 C ATOM 1356 CD GLU A 83 8.375 -3.590 6.788 1.00 0.00 C ATOM 1357 OE1 GLU A 83 9.132 -3.287 7.728 1.00 0.00 O ATOM 1358 OE2 GLU A 83 8.811 -3.756 5.629 1.00 0.00 O ATOM 0 H GLU A 83 4.446 -3.444 5.347 1.00 0.00 H new ATOM 0 HA GLU A 83 4.468 -2.891 8.231 1.00 0.00 H new ATOM 0 HB2 GLU A 83 6.301 -2.010 5.993 1.00 0.00 H new ATOM 0 HB3 GLU A 83 6.535 -1.759 7.711 1.00 0.00 H new ATOM 0 HG2 GLU A 83 6.765 -4.196 8.053 1.00 0.00 H new ATOM 0 HG3 GLU A 83 6.482 -4.475 6.346 1.00 0.00 H new ATOM 1365 N ILE A 84 3.010 -0.902 7.743 1.00 0.00 N ATOM 1366 CA ILE A 84 2.275 0.331 7.583 1.00 0.00 C ATOM 1367 C ILE A 84 3.124 1.491 8.097 1.00 0.00 C ATOM 1368 O ILE A 84 3.536 1.504 9.268 1.00 0.00 O ATOM 1369 CB ILE A 84 0.926 0.262 8.357 1.00 0.00 C ATOM 1370 CG1 ILE A 84 -0.007 -0.803 7.762 1.00 0.00 C ATOM 1371 CG2 ILE A 84 0.230 1.619 8.424 1.00 0.00 C ATOM 1372 CD1 ILE A 84 -0.513 -0.465 6.404 1.00 0.00 C ATOM 0 H ILE A 84 2.736 -1.452 8.557 1.00 0.00 H new ATOM 0 HA ILE A 84 2.053 0.485 6.527 1.00 0.00 H new ATOM 0 HB ILE A 84 1.166 -0.030 9.380 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.524 -1.754 7.716 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.856 -0.944 8.431 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.706 1.521 8.973 1.00 0.00 H new ATOM 0 HG22 ILE A 84 0.876 2.334 8.933 1.00 0.00 H new ATOM 0 HG23 ILE A 84 0.023 1.972 7.414 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -1.165 -1.263 6.049 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.073 0.469 6.447 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.328 -0.353 5.720 1.00 0.00 H new ATOM 1384 N ASP A 85 3.438 2.425 7.233 1.00 0.00 N ATOM 1385 CA ASP A 85 4.223 3.572 7.646 1.00 0.00 C ATOM 1386 C ASP A 85 3.345 4.721 7.948 1.00 0.00 C ATOM 1387 O ASP A 85 2.346 4.978 7.260 1.00 0.00 O ATOM 1388 CB ASP A 85 5.238 4.089 6.615 1.00 0.00 C ATOM 1389 CG ASP A 85 6.417 3.201 6.312 1.00 0.00 C ATOM 1390 OD1 ASP A 85 7.106 2.743 7.249 1.00 0.00 O ATOM 1391 OD2 ASP A 85 6.742 3.035 5.123 1.00 0.00 O ATOM 0 H ASP A 85 3.168 2.419 6.249 1.00 0.00 H new ATOM 0 HA ASP A 85 4.770 3.200 8.512 1.00 0.00 H new ATOM 0 HB2 ASP A 85 4.707 4.278 5.682 1.00 0.00 H new ATOM 0 HB3 ASP A 85 5.618 5.049 6.965 1.00 0.00 H new