USER MOD reduce.3.24.130724 H: found=0, std=0, add=563, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 561 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 46 THR OG1 : rot -72:sc= 1.86 USER MOD Set 1.2: A 48 THR OG1 : rot -67:sc= 1.24 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 149:sc=-0.000601! (180deg=-0.727!) USER MOD Single : A 27 HIS : no HE2:sc= -10.9! C(o=-11!,f=-15!) USER MOD Single : A 28 HIS : no HD1:sc= -2.47 K(o=-2.5,f=-8.4!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.0128 X(o=-0.013,f=0) USER MOD Single : A 38 LYS NZ :NH3+ -130:sc= -0.766 (180deg=-2.69!) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.09) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -162:sc= -0.0262 (180deg=-0.27) USER MOD Single : A 51 GLN : amide:sc= -0.322 X(o=-0.32,f=-0.32) USER MOD Single : A 59 SER OG : rot 108:sc= 1.07 USER MOD Single : A 60 ASN : amide:sc= 0.839 K(o=0.84,f=-1.6) USER MOD Single : A 61 GLN : amide:sc= -0.106 X(o=-0.11,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 151:sc= -0.0167 (180deg=-0.952) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.425 USER MOD Single : A 67 THR OG1 : rot 143:sc= 0.699 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -154:sc= -0.33 (180deg=-0.506) USER MOD Single : A 76 HIS : no HD1:sc= -0.137 X(o=-0.14,f=-0.6) USER MOD Single : A 82 SER OG : rot -36:sc= 0.856 USER MOD Single : A 85 GLN : amide:sc= -0.362 K(o=-0.36,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 214 N ALA A 17 12.379 -7.452 -3.493 1.00 0.00 N ATOM 215 CA ALA A 17 11.213 -7.601 -4.355 1.00 0.00 C ATOM 216 C ALA A 17 10.373 -6.328 -4.368 1.00 0.00 C ATOM 217 O ALA A 17 10.471 -5.499 -3.462 1.00 0.00 O ATOM 218 CB ALA A 17 10.372 -8.786 -3.905 1.00 0.00 C ATOM 0 HA ALA A 17 11.564 -7.783 -5.371 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.505 -8.885 -4.558 1.00 0.00 H new ATOM 0 HB2 ALA A 17 10.970 -9.696 -3.955 1.00 0.00 H new ATOM 0 HB3 ALA A 17 10.038 -8.627 -2.880 1.00 0.00 H new ATOM 224 N SER A 18 9.548 -6.178 -5.399 1.00 0.00 N ATOM 225 CA SER A 18 8.694 -5.005 -5.531 1.00 0.00 C ATOM 226 C SER A 18 7.333 -5.384 -6.109 1.00 0.00 C ATOM 227 O SER A 18 7.249 -6.047 -7.141 1.00 0.00 O ATOM 228 CB SER A 18 9.365 -3.957 -6.422 1.00 0.00 C ATOM 229 OG SER A 18 10.069 -4.571 -7.488 1.00 0.00 O ATOM 0 H SER A 18 9.453 -6.855 -6.156 1.00 0.00 H new ATOM 0 HA SER A 18 8.542 -4.584 -4.537 1.00 0.00 H new ATOM 0 HB2 SER A 18 8.611 -3.279 -6.822 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.052 -3.355 -5.827 1.00 0.00 H new ATOM 0 HG SER A 18 10.487 -3.881 -8.044 1.00 0.00 H new ATOM 235 N ALA A 19 6.271 -4.958 -5.433 1.00 0.00 N ATOM 236 CA ALA A 19 4.914 -5.251 -5.878 1.00 0.00 C ATOM 237 C ALA A 19 4.118 -3.968 -6.093 1.00 0.00 C ATOM 238 O ALA A 19 4.601 -2.871 -5.812 1.00 0.00 O ATOM 239 CB ALA A 19 4.210 -6.149 -4.872 1.00 0.00 C ATOM 0 H ALA A 19 6.324 -4.409 -4.575 1.00 0.00 H new ATOM 0 HA ALA A 19 4.976 -5.774 -6.833 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.198 -6.359 -5.218 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.761 -7.084 -4.771 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.166 -5.648 -3.905 1.00 0.00 H new ATOM 245 N THR A 20 2.897 -4.112 -6.596 1.00 0.00 N ATOM 246 CA THR A 20 2.034 -2.965 -6.850 1.00 0.00 C ATOM 247 C THR A 20 0.595 -3.257 -6.443 1.00 0.00 C ATOM 248 O THR A 20 0.168 -4.412 -6.421 1.00 0.00 O ATOM 249 CB THR A 20 2.063 -2.560 -8.337 1.00 0.00 C ATOM 250 OG1 THR A 20 2.142 -3.727 -9.162 1.00 0.00 O ATOM 251 CG2 THR A 20 3.244 -1.647 -8.626 1.00 0.00 C ATOM 0 H THR A 20 2.483 -5.013 -6.836 1.00 0.00 H new ATOM 0 HA THR A 20 2.418 -2.141 -6.248 1.00 0.00 H new ATOM 0 HB THR A 20 1.143 -2.020 -8.561 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.158 -3.461 -10.105 1.00 0.00 H new ATOM 0 HG21 THR A 20 3.244 -1.375 -9.681 1.00 0.00 H new ATOM 0 HG22 THR A 20 3.164 -0.746 -8.018 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.172 -2.166 -8.386 1.00 0.00 H new ATOM 259 N VAL A 21 -0.149 -2.204 -6.119 1.00 0.00 N ATOM 260 CA VAL A 21 -1.542 -2.348 -5.713 1.00 0.00 C ATOM 261 C VAL A 21 -2.447 -1.415 -6.511 1.00 0.00 C ATOM 262 O VAL A 21 -2.448 -0.204 -6.297 1.00 0.00 O ATOM 263 CB VAL A 21 -1.722 -2.060 -4.211 1.00 0.00 C ATOM 264 CG1 VAL A 21 -1.146 -0.698 -3.856 1.00 0.00 C ATOM 265 CG2 VAL A 21 -3.191 -2.144 -3.825 1.00 0.00 C ATOM 0 H VAL A 21 0.190 -1.242 -6.130 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.824 -3.382 -5.913 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.178 -2.817 -3.646 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.282 -0.512 -2.791 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.083 -0.679 -4.095 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.660 0.075 -4.428 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.300 -1.938 -2.760 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.760 -1.411 -4.397 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.567 -3.144 -4.041 1.00 0.00 H new ATOM 275 N ALA A 22 -3.215 -1.989 -7.431 1.00 0.00 N ATOM 276 CA ALA A 22 -4.126 -1.209 -8.260 1.00 0.00 C ATOM 277 C ALA A 22 -5.233 -0.584 -7.418 1.00 0.00 C ATOM 278 O ALA A 22 -6.058 -1.290 -6.838 1.00 0.00 O ATOM 279 CB ALA A 22 -4.720 -2.081 -9.355 1.00 0.00 C ATOM 0 H ALA A 22 -3.225 -2.991 -7.621 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.558 -0.402 -8.723 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.398 -1.486 -9.966 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.919 -2.475 -9.981 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.269 -2.908 -8.904 1.00 0.00 H new ATOM 285 N ILE A 23 -5.246 0.743 -7.357 1.00 0.00 N ATOM 286 CA ILE A 23 -6.253 1.462 -6.587 1.00 0.00 C ATOM 287 C ILE A 23 -6.698 2.729 -7.311 1.00 0.00 C ATOM 288 O ILE A 23 -5.979 3.284 -8.143 1.00 0.00 O ATOM 289 CB ILE A 23 -5.729 1.841 -5.189 1.00 0.00 C ATOM 290 CG1 ILE A 23 -4.280 2.326 -5.277 1.00 0.00 C ATOM 291 CG2 ILE A 23 -5.838 0.654 -4.243 1.00 0.00 C ATOM 292 CD1 ILE A 23 -3.731 2.833 -3.963 1.00 0.00 C ATOM 0 H ILE A 23 -4.571 1.342 -7.832 1.00 0.00 H new ATOM 0 HA ILE A 23 -7.105 0.790 -6.477 1.00 0.00 H new ATOM 0 HB ILE A 23 -6.341 2.653 -4.796 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.653 1.508 -5.632 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.216 3.122 -6.019 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.464 0.937 -3.259 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.881 0.349 -4.161 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.247 -0.176 -4.631 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.700 3.160 -4.101 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -4.334 3.672 -3.616 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.762 2.033 -3.223 1.00 0.00 H new ATOM 304 N PRO A 24 -7.912 3.200 -6.987 1.00 0.00 N ATOM 305 CA PRO A 24 -8.478 4.409 -7.593 1.00 0.00 C ATOM 306 C PRO A 24 -7.759 5.676 -7.143 1.00 0.00 C ATOM 307 O PRO A 24 -7.372 5.803 -5.982 1.00 0.00 O ATOM 308 CB PRO A 24 -9.925 4.409 -7.093 1.00 0.00 C ATOM 309 CG PRO A 24 -9.888 3.636 -5.821 1.00 0.00 C ATOM 310 CD PRO A 24 -8.823 2.590 -6.004 1.00 0.00 C ATOM 0 HA PRO A 24 -8.386 4.402 -8.679 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.287 5.424 -6.929 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -10.594 3.946 -7.818 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -9.657 4.285 -4.976 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -10.855 3.177 -5.615 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.313 2.368 -5.067 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.240 1.652 -6.370 1.00 0.00 H new ATOM 318 N LYS A 25 -7.582 6.610 -8.071 1.00 0.00 N ATOM 319 CA LYS A 25 -6.910 7.869 -7.771 1.00 0.00 C ATOM 320 C LYS A 25 -7.564 8.564 -6.580 1.00 0.00 C ATOM 321 O LYS A 25 -6.992 9.484 -5.998 1.00 0.00 O ATOM 322 CB LYS A 25 -6.939 8.790 -8.993 1.00 0.00 C ATOM 323 CG LYS A 25 -5.746 9.728 -9.076 1.00 0.00 C ATOM 324 CD LYS A 25 -4.600 9.103 -9.853 1.00 0.00 C ATOM 325 CE LYS A 25 -3.298 9.855 -9.627 1.00 0.00 C ATOM 326 NZ LYS A 25 -2.114 8.960 -9.733 1.00 0.00 N ATOM 0 H LYS A 25 -7.895 6.519 -9.038 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.874 7.648 -7.516 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.975 8.181 -9.896 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.855 9.381 -8.970 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.047 10.660 -9.555 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -5.410 9.981 -8.070 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.478 8.063 -9.550 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.839 9.099 -10.916 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.212 10.659 -10.358 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.314 10.320 -8.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.302 9.500 -10.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.885 8.575 -8.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.327 8.178 -10.385 1.00 0.00 H new ATOM 340 N GLU A 26 -8.764 8.117 -6.225 1.00 0.00 N ATOM 341 CA GLU A 26 -9.493 8.696 -5.104 1.00 0.00 C ATOM 342 C GLU A 26 -8.959 8.168 -3.776 1.00 0.00 C ATOM 343 O GLU A 26 -9.035 8.846 -2.749 1.00 0.00 O ATOM 344 CB GLU A 26 -10.988 8.387 -5.224 1.00 0.00 C ATOM 345 CG GLU A 26 -11.380 7.042 -4.635 1.00 0.00 C ATOM 346 CD GLU A 26 -12.574 6.425 -5.336 1.00 0.00 C ATOM 347 OE1 GLU A 26 -12.465 6.132 -6.546 1.00 0.00 O ATOM 348 OE2 GLU A 26 -13.617 6.235 -4.677 1.00 0.00 O ATOM 0 H GLU A 26 -9.252 7.356 -6.698 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.349 9.776 -5.130 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -11.554 9.172 -4.723 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.272 8.410 -6.276 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.532 6.360 -4.700 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.609 7.166 -3.576 1.00 0.00 H new ATOM 355 N HIS A 27 -8.418 6.955 -3.802 1.00 0.00 N ATOM 356 CA HIS A 27 -7.871 6.334 -2.601 1.00 0.00 C ATOM 357 C HIS A 27 -6.403 6.707 -2.418 1.00 0.00 C ATOM 358 O HIS A 27 -5.855 6.593 -1.321 1.00 0.00 O ATOM 359 CB HIS A 27 -8.018 4.814 -2.674 1.00 0.00 C ATOM 360 CG HIS A 27 -9.439 4.345 -2.600 1.00 0.00 C ATOM 361 ND1 HIS A 27 -9.819 3.050 -2.879 1.00 0.00 N ATOM 362 CD2 HIS A 27 -10.574 5.008 -2.276 1.00 0.00 C ATOM 363 CE1 HIS A 27 -11.127 2.935 -2.732 1.00 0.00 C ATOM 364 NE2 HIS A 27 -11.609 4.110 -2.366 1.00 0.00 N ATOM 0 H HIS A 27 -8.346 6.382 -4.643 1.00 0.00 H new ATOM 0 HA HIS A 27 -8.432 6.704 -1.743 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -7.575 4.459 -3.604 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -7.452 4.363 -1.859 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -9.189 2.297 -3.156 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -10.651 6.049 -1.999 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -11.704 2.035 -2.885 1.00 0.00 H new ATOM 372 N HIS A 28 -5.771 7.153 -3.499 1.00 0.00 N ATOM 373 CA HIS A 28 -4.367 7.542 -3.458 1.00 0.00 C ATOM 374 C HIS A 28 -4.134 8.627 -2.410 1.00 0.00 C ATOM 375 O HIS A 28 -3.038 8.751 -1.864 1.00 0.00 O ATOM 376 CB HIS A 28 -3.912 8.038 -4.831 1.00 0.00 C ATOM 377 CG HIS A 28 -3.429 6.945 -5.733 1.00 0.00 C ATOM 378 ND1 HIS A 28 -2.289 7.051 -6.501 1.00 0.00 N ATOM 379 CD2 HIS A 28 -3.939 5.716 -5.986 1.00 0.00 C ATOM 380 CE1 HIS A 28 -2.119 5.936 -7.189 1.00 0.00 C ATOM 381 NE2 HIS A 28 -3.106 5.109 -6.894 1.00 0.00 N ATOM 0 H HIS A 28 -6.210 7.254 -4.414 1.00 0.00 H new ATOM 0 HA HIS A 28 -3.781 6.665 -3.185 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -4.740 8.557 -5.314 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -3.113 8.768 -4.698 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -4.834 5.292 -5.554 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -1.310 5.735 -7.876 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -3.229 4.172 -7.278 1.00 0.00 H new ATOM 389 N ARG A 29 -5.172 9.410 -2.136 1.00 0.00 N ATOM 390 CA ARG A 29 -5.080 10.486 -1.155 1.00 0.00 C ATOM 391 C ARG A 29 -5.345 9.961 0.253 1.00 0.00 C ATOM 392 O ARG A 29 -4.931 10.567 1.241 1.00 0.00 O ATOM 393 CB ARG A 29 -6.074 11.599 -1.492 1.00 0.00 C ATOM 394 CG ARG A 29 -7.528 11.189 -1.320 1.00 0.00 C ATOM 395 CD ARG A 29 -8.414 12.390 -1.029 1.00 0.00 C ATOM 396 NE ARG A 29 -8.505 13.292 -2.174 1.00 0.00 N ATOM 397 CZ ARG A 29 -9.183 14.435 -2.156 1.00 0.00 C ATOM 398 NH1 ARG A 29 -9.824 14.813 -1.059 1.00 0.00 N ATOM 399 NH2 ARG A 29 -9.219 15.203 -3.238 1.00 0.00 N ATOM 0 H ARG A 29 -6.086 9.320 -2.579 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.068 10.890 -1.189 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.871 12.461 -0.857 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.914 11.918 -2.522 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.876 10.689 -2.224 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.610 10.469 -0.506 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -9.412 12.047 -0.757 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -8.019 12.933 -0.170 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.022 13.031 -3.034 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -9.798 14.226 -0.225 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -10.343 15.691 -1.049 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -8.726 14.916 -4.084 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -9.739 16.080 -3.224 1.00 0.00 H new ATOM 413 N PHE A 30 -6.038 8.830 0.337 1.00 0.00 N ATOM 414 CA PHE A 30 -6.360 8.224 1.624 1.00 0.00 C ATOM 415 C PHE A 30 -5.158 7.470 2.186 1.00 0.00 C ATOM 416 O PHE A 30 -5.141 7.092 3.358 1.00 0.00 O ATOM 417 CB PHE A 30 -7.551 7.275 1.481 1.00 0.00 C ATOM 418 CG PHE A 30 -8.879 7.944 1.689 1.00 0.00 C ATOM 419 CD1 PHE A 30 -9.172 8.576 2.887 1.00 0.00 C ATOM 420 CD2 PHE A 30 -9.837 7.940 0.687 1.00 0.00 C ATOM 421 CE1 PHE A 30 -10.393 9.192 3.082 1.00 0.00 C ATOM 422 CE2 PHE A 30 -11.060 8.556 0.876 1.00 0.00 C ATOM 423 CZ PHE A 30 -11.339 9.181 2.076 1.00 0.00 C ATOM 0 H PHE A 30 -6.387 8.315 -0.471 1.00 0.00 H new ATOM 0 HA PHE A 30 -6.622 9.022 2.318 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.531 6.827 0.488 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -7.446 6.462 2.200 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -8.437 8.587 3.678 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -9.625 7.450 -0.252 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -10.608 9.682 4.020 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -11.797 8.549 0.086 1.00 0.00 H new ATOM 0 HZ PHE A 30 -12.295 9.660 2.227 1.00 0.00 H new ATOM 433 N VAL A 31 -4.155 7.255 1.341 1.00 0.00 N ATOM 434 CA VAL A 31 -2.948 6.547 1.753 1.00 0.00 C ATOM 435 C VAL A 31 -1.845 7.523 2.146 1.00 0.00 C ATOM 436 O VAL A 31 -1.002 7.215 2.989 1.00 0.00 O ATOM 437 CB VAL A 31 -2.428 5.627 0.633 1.00 0.00 C ATOM 438 CG1 VAL A 31 -1.199 4.861 1.098 1.00 0.00 C ATOM 439 CG2 VAL A 31 -3.522 4.672 0.176 1.00 0.00 C ATOM 0 H VAL A 31 -4.154 7.560 0.368 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.217 5.940 2.617 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.140 6.246 -0.217 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.846 4.216 0.293 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.413 5.565 1.370 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.456 4.252 1.964 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.137 4.030 -0.616 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.844 4.058 1.017 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.370 5.244 -0.201 1.00 0.00 H new ATOM 449 N ILE A 32 -1.858 8.701 1.532 1.00 0.00 N ATOM 450 CA ILE A 32 -0.860 9.723 1.820 1.00 0.00 C ATOM 451 C ILE A 32 -1.186 10.462 3.114 1.00 0.00 C ATOM 452 O ILE A 32 -0.290 10.875 3.848 1.00 0.00 O ATOM 453 CB ILE A 32 -0.753 10.745 0.673 1.00 0.00 C ATOM 454 CG1 ILE A 32 -0.481 10.030 -0.652 1.00 0.00 C ATOM 455 CG2 ILE A 32 0.341 11.760 0.967 1.00 0.00 C ATOM 456 CD1 ILE A 32 -1.002 10.776 -1.860 1.00 0.00 C ATOM 0 H ILE A 32 -2.549 8.971 0.832 1.00 0.00 H new ATOM 0 HA ILE A 32 0.095 9.209 1.928 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.701 11.276 0.590 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.593 9.883 -0.762 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.937 9.040 -0.622 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.404 12.475 0.147 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.108 12.288 1.892 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.296 11.245 1.073 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.774 10.210 -2.763 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.081 10.901 -1.773 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.527 11.756 -1.915 1.00 0.00 H new ATOM 468 N GLY A 33 -2.478 10.620 3.389 1.00 0.00 N ATOM 469 CA GLY A 33 -2.900 11.308 4.595 1.00 0.00 C ATOM 470 C GLY A 33 -3.401 12.711 4.319 1.00 0.00 C ATOM 471 O GLY A 33 -2.735 13.495 3.640 1.00 0.00 O ATOM 0 H GLY A 33 -3.239 10.284 2.798 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.689 10.733 5.080 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.065 11.355 5.294 1.00 0.00 H new ATOM 475 N LYS A 34 -4.579 13.032 4.843 1.00 0.00 N ATOM 476 CA LYS A 34 -5.170 14.350 4.649 1.00 0.00 C ATOM 477 C LYS A 34 -4.096 15.434 4.651 1.00 0.00 C ATOM 478 O LYS A 34 -4.096 16.322 3.801 1.00 0.00 O ATOM 479 CB LYS A 34 -6.200 14.636 5.745 1.00 0.00 C ATOM 480 CG LYS A 34 -7.302 15.587 5.310 1.00 0.00 C ATOM 481 CD LYS A 34 -6.877 17.038 5.457 1.00 0.00 C ATOM 482 CE LYS A 34 -7.702 17.954 4.566 1.00 0.00 C ATOM 483 NZ LYS A 34 -7.092 19.307 4.444 1.00 0.00 N ATOM 0 H LYS A 34 -5.144 12.396 5.406 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.668 14.358 3.679 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.648 13.695 6.065 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.689 15.057 6.611 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.567 15.388 4.271 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.196 15.407 5.907 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.985 17.346 6.497 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.821 17.136 5.204 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.797 17.508 3.576 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -8.709 18.045 4.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.684 19.901 3.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.024 19.743 5.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.141 19.223 4.032 1.00 0.00 H new ATOM 497 N ASN A 35 -3.181 15.351 5.612 1.00 0.00 N ATOM 498 CA ASN A 35 -2.100 16.325 5.724 1.00 0.00 C ATOM 499 C ASN A 35 -0.816 15.785 5.101 1.00 0.00 C ATOM 500 O ASN A 35 0.081 16.549 4.743 1.00 0.00 O ATOM 501 CB ASN A 35 -1.858 16.683 7.192 1.00 0.00 C ATOM 502 CG ASN A 35 -3.131 16.640 8.014 1.00 0.00 C ATOM 503 OD1 ASN A 35 -3.212 15.930 9.016 1.00 0.00 O ATOM 504 ND2 ASN A 35 -4.133 17.405 7.594 1.00 0.00 N ATOM 0 H ASN A 35 -3.166 14.620 6.324 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.396 17.224 5.183 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.131 15.991 7.617 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.423 17.680 7.253 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -5.014 17.419 8.108 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.021 17.978 6.757 1.00 0.00 H new ATOM 511 N GLY A 36 -0.735 14.465 4.975 1.00 0.00 N ATOM 512 CA GLY A 36 0.442 13.846 4.395 1.00 0.00 C ATOM 513 C GLY A 36 1.315 13.172 5.436 1.00 0.00 C ATOM 514 O GLY A 36 2.535 13.334 5.430 1.00 0.00 O ATOM 0 H GLY A 36 -1.464 13.813 5.264 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.133 13.110 3.653 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.026 14.603 3.870 1.00 0.00 H new ATOM 518 N GLU A 37 0.688 12.416 6.332 1.00 0.00 N ATOM 519 CA GLU A 37 1.417 11.718 7.384 1.00 0.00 C ATOM 520 C GLU A 37 1.163 10.215 7.316 1.00 0.00 C ATOM 521 O GLU A 37 1.898 9.421 7.906 1.00 0.00 O ATOM 522 CB GLU A 37 1.009 12.254 8.759 1.00 0.00 C ATOM 523 CG GLU A 37 -0.493 12.285 8.978 1.00 0.00 C ATOM 524 CD GLU A 37 -0.871 12.163 10.442 1.00 0.00 C ATOM 525 OE1 GLU A 37 -0.768 11.046 10.990 1.00 0.00 O ATOM 526 OE2 GLU A 37 -1.271 13.184 11.040 1.00 0.00 O ATOM 0 H GLU A 37 -0.322 12.272 6.350 1.00 0.00 H new ATOM 0 HA GLU A 37 2.482 11.896 7.234 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.468 11.636 9.531 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.406 13.262 8.879 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.896 13.216 8.579 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.955 11.472 8.418 1.00 0.00 H new ATOM 533 N LYS A 38 0.117 9.829 6.593 1.00 0.00 N ATOM 534 CA LYS A 38 -0.236 8.422 6.447 1.00 0.00 C ATOM 535 C LYS A 38 0.809 7.683 5.618 1.00 0.00 C ATOM 536 O LYS A 38 1.034 6.487 5.806 1.00 0.00 O ATOM 537 CB LYS A 38 -1.612 8.285 5.792 1.00 0.00 C ATOM 538 CG LYS A 38 -2.128 6.857 5.752 1.00 0.00 C ATOM 539 CD LYS A 38 -2.654 6.417 7.108 1.00 0.00 C ATOM 540 CE LYS A 38 -2.808 4.906 7.181 1.00 0.00 C ATOM 541 NZ LYS A 38 -1.546 4.239 7.608 1.00 0.00 N ATOM 0 H LYS A 38 -0.502 10.472 6.099 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.268 7.976 7.441 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.326 8.905 6.334 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.561 8.672 4.774 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.922 6.776 5.009 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.327 6.188 5.437 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -1.973 6.753 7.890 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.617 6.892 7.298 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.606 4.656 7.881 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.108 4.524 6.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.322 3.466 6.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -0.770 4.931 7.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -1.664 3.854 8.567 1.00 0.00 H new ATOM 555 N LEU A 39 1.448 8.402 4.700 1.00 0.00 N ATOM 556 CA LEU A 39 2.471 7.816 3.843 1.00 0.00 C ATOM 557 C LEU A 39 3.801 7.703 4.581 1.00 0.00 C ATOM 558 O LEU A 39 4.445 6.654 4.562 1.00 0.00 O ATOM 559 CB LEU A 39 2.646 8.655 2.577 1.00 0.00 C ATOM 560 CG LEU A 39 4.025 8.595 1.918 1.00 0.00 C ATOM 561 CD1 LEU A 39 4.232 7.251 1.235 1.00 0.00 C ATOM 562 CD2 LEU A 39 4.189 9.732 0.919 1.00 0.00 C ATOM 0 H LEU A 39 1.274 9.393 4.531 1.00 0.00 H new ATOM 0 HA LEU A 39 2.146 6.814 3.564 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.902 8.335 1.847 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.427 9.695 2.821 1.00 0.00 H new ATOM 0 HG LEU A 39 4.782 8.707 2.694 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.218 7.226 0.772 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.158 6.452 1.973 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.468 7.110 0.470 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.176 9.673 0.460 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.424 9.651 0.147 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.085 10.687 1.434 1.00 0.00 H new ATOM 574 N GLN A 40 4.204 8.789 5.231 1.00 0.00 N ATOM 575 CA GLN A 40 5.457 8.811 5.978 1.00 0.00 C ATOM 576 C GLN A 40 5.420 7.816 7.133 1.00 0.00 C ATOM 577 O GLN A 40 6.433 7.198 7.465 1.00 0.00 O ATOM 578 CB GLN A 40 5.733 10.218 6.510 1.00 0.00 C ATOM 579 CG GLN A 40 5.079 10.500 7.853 1.00 0.00 C ATOM 580 CD GLN A 40 5.387 11.891 8.372 1.00 0.00 C ATOM 581 OE1 GLN A 40 5.273 12.877 7.643 1.00 0.00 O ATOM 582 NE2 GLN A 40 5.780 11.977 9.637 1.00 0.00 N ATOM 0 H GLN A 40 3.682 9.665 5.256 1.00 0.00 H new ATOM 0 HA GLN A 40 6.260 8.522 5.300 1.00 0.00 H new ATOM 0 HB2 GLN A 40 6.810 10.357 6.603 1.00 0.00 H new ATOM 0 HB3 GLN A 40 5.379 10.948 5.782 1.00 0.00 H new ATOM 0 HG2 GLN A 40 3.999 10.382 7.759 1.00 0.00 H new ATOM 0 HG3 GLN A 40 5.418 9.762 8.580 1.00 0.00 H new ATOM 0 HE21 GLN A 40 5.860 11.133 10.205 1.00 0.00 H new ATOM 0 HE22 GLN A 40 6.001 12.887 10.042 1.00 0.00 H new ATOM 591 N ASP A 41 4.249 7.666 7.740 1.00 0.00 N ATOM 592 CA ASP A 41 4.081 6.744 8.858 1.00 0.00 C ATOM 593 C ASP A 41 4.064 5.299 8.373 1.00 0.00 C ATOM 594 O ASP A 41 4.498 4.389 9.082 1.00 0.00 O ATOM 595 CB ASP A 41 2.787 7.057 9.614 1.00 0.00 C ATOM 596 CG ASP A 41 2.855 6.645 11.072 1.00 0.00 C ATOM 597 OD1 ASP A 41 3.077 5.447 11.340 1.00 0.00 O ATOM 598 OD2 ASP A 41 2.685 7.522 11.945 1.00 0.00 O ATOM 0 H ASP A 41 3.402 8.170 7.478 1.00 0.00 H new ATOM 0 HA ASP A 41 4.928 6.871 9.533 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.582 8.126 9.550 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.955 6.543 9.133 1.00 0.00 H new ATOM 603 N LEU A 42 3.559 5.092 7.162 1.00 0.00 N ATOM 604 CA LEU A 42 3.484 3.755 6.582 1.00 0.00 C ATOM 605 C LEU A 42 4.854 3.297 6.092 1.00 0.00 C ATOM 606 O LEU A 42 5.318 2.212 6.442 1.00 0.00 O ATOM 607 CB LEU A 42 2.483 3.736 5.425 1.00 0.00 C ATOM 608 CG LEU A 42 1.034 3.419 5.796 1.00 0.00 C ATOM 609 CD1 LEU A 42 0.130 3.557 4.581 1.00 0.00 C ATOM 610 CD2 LEU A 42 0.928 2.020 6.386 1.00 0.00 C ATOM 0 H LEU A 42 3.195 5.833 6.562 1.00 0.00 H new ATOM 0 HA LEU A 42 3.147 3.067 7.357 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.507 4.709 4.934 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.818 3.002 4.693 1.00 0.00 H new ATOM 0 HG LEU A 42 0.707 4.135 6.550 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.897 3.328 4.864 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.183 4.578 4.202 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.456 2.865 3.805 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.110 1.812 6.644 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.274 1.290 5.655 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.545 1.955 7.282 1.00 0.00 H new ATOM 622 N GLU A 43 5.497 4.132 5.282 1.00 0.00 N ATOM 623 CA GLU A 43 6.815 3.812 4.745 1.00 0.00 C ATOM 624 C GLU A 43 7.775 3.414 5.863 1.00 0.00 C ATOM 625 O GLU A 43 8.725 2.662 5.642 1.00 0.00 O ATOM 626 CB GLU A 43 7.380 5.007 3.974 1.00 0.00 C ATOM 627 CG GLU A 43 6.924 5.067 2.526 1.00 0.00 C ATOM 628 CD GLU A 43 7.550 6.220 1.765 1.00 0.00 C ATOM 629 OE1 GLU A 43 7.495 7.362 2.267 1.00 0.00 O ATOM 630 OE2 GLU A 43 8.094 5.978 0.667 1.00 0.00 O ATOM 0 H GLU A 43 5.127 5.034 4.983 1.00 0.00 H new ATOM 0 HA GLU A 43 6.707 2.968 4.064 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.084 5.927 4.478 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.469 4.965 4.002 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.176 4.130 2.030 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.839 5.162 2.494 1.00 0.00 H new ATOM 637 N LEU A 44 7.521 3.925 7.063 1.00 0.00 N ATOM 638 CA LEU A 44 8.362 3.623 8.216 1.00 0.00 C ATOM 639 C LEU A 44 7.943 2.309 8.867 1.00 0.00 C ATOM 640 O LEU A 44 8.694 1.333 8.860 1.00 0.00 O ATOM 641 CB LEU A 44 8.286 4.759 9.238 1.00 0.00 C ATOM 642 CG LEU A 44 9.200 5.957 8.979 1.00 0.00 C ATOM 643 CD1 LEU A 44 8.904 7.077 9.964 1.00 0.00 C ATOM 644 CD2 LEU A 44 10.661 5.542 9.064 1.00 0.00 C ATOM 0 H LEU A 44 6.740 4.550 7.263 1.00 0.00 H new ATOM 0 HA LEU A 44 9.390 3.523 7.869 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.257 5.115 9.280 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.523 4.353 10.221 1.00 0.00 H new ATOM 0 HG LEU A 44 9.006 6.326 7.972 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.564 7.921 9.764 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.867 7.394 9.854 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.069 6.720 10.981 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.297 6.408 8.877 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.870 5.147 10.058 1.00 0.00 H new ATOM 0 HD23 LEU A 44 10.865 4.774 8.318 1.00 0.00 H new ATOM 656 N LYS A 45 6.738 2.290 9.428 1.00 0.00 N ATOM 657 CA LYS A 45 6.216 1.095 10.080 1.00 0.00 C ATOM 658 C LYS A 45 6.500 -0.149 9.245 1.00 0.00 C ATOM 659 O LYS A 45 6.728 -1.233 9.783 1.00 0.00 O ATOM 660 CB LYS A 45 4.710 1.234 10.314 1.00 0.00 C ATOM 661 CG LYS A 45 4.145 0.194 11.266 1.00 0.00 C ATOM 662 CD LYS A 45 2.650 0.376 11.466 1.00 0.00 C ATOM 663 CE LYS A 45 1.869 -0.020 10.222 1.00 0.00 C ATOM 664 NZ LYS A 45 0.429 0.344 10.332 1.00 0.00 N ATOM 0 H LYS A 45 6.105 3.089 9.444 1.00 0.00 H new ATOM 0 HA LYS A 45 6.718 0.987 11.041 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.502 2.228 10.710 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.193 1.158 9.357 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.342 -0.804 10.875 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.653 0.265 12.228 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.319 -0.227 12.312 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.439 1.416 11.714 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.302 0.470 9.350 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.961 -1.094 10.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.069 0.058 9.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.009 -0.144 11.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.340 1.372 10.459 1.00 0.00 H new ATOM 678 N THR A 46 6.486 0.013 7.926 1.00 0.00 N ATOM 679 CA THR A 46 6.743 -1.096 7.017 1.00 0.00 C ATOM 680 C THR A 46 8.177 -1.064 6.500 1.00 0.00 C ATOM 681 O THR A 46 8.690 -2.066 6.002 1.00 0.00 O ATOM 682 CB THR A 46 5.777 -1.073 5.816 1.00 0.00 C ATOM 683 OG1 THR A 46 6.148 -0.032 4.908 1.00 0.00 O ATOM 684 CG2 THR A 46 4.344 -0.862 6.280 1.00 0.00 C ATOM 0 H THR A 46 6.299 0.903 7.463 1.00 0.00 H new ATOM 0 HA THR A 46 6.585 -2.013 7.585 1.00 0.00 H new ATOM 0 HB THR A 46 5.840 -2.035 5.308 1.00 0.00 H new ATOM 0 HG1 THR A 46 5.920 0.838 5.297 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.680 -0.849 5.416 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.055 -1.673 6.948 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.269 0.088 6.809 1.00 0.00 H new ATOM 692 N ALA A 47 8.820 0.093 6.623 1.00 0.00 N ATOM 693 CA ALA A 47 10.197 0.254 6.172 1.00 0.00 C ATOM 694 C ALA A 47 10.324 -0.049 4.682 1.00 0.00 C ATOM 695 O ALA A 47 11.318 -0.623 4.238 1.00 0.00 O ATOM 696 CB ALA A 47 11.125 -0.644 6.976 1.00 0.00 C ATOM 0 H ALA A 47 8.409 0.933 7.031 1.00 0.00 H new ATOM 0 HA ALA A 47 10.487 1.292 6.332 1.00 0.00 H new ATOM 0 HB1 ALA A 47 12.150 -0.513 6.628 1.00 0.00 H new ATOM 0 HB2 ALA A 47 11.064 -0.379 8.031 1.00 0.00 H new ATOM 0 HB3 ALA A 47 10.828 -1.685 6.845 1.00 0.00 H new ATOM 702 N THR A 48 9.312 0.341 3.914 1.00 0.00 N ATOM 703 CA THR A 48 9.310 0.110 2.476 1.00 0.00 C ATOM 704 C THR A 48 9.408 1.423 1.707 1.00 0.00 C ATOM 705 O THR A 48 9.458 2.500 2.302 1.00 0.00 O ATOM 706 CB THR A 48 8.041 -0.640 2.028 1.00 0.00 C ATOM 707 OG1 THR A 48 6.875 0.091 2.424 1.00 0.00 O ATOM 708 CG2 THR A 48 7.998 -2.037 2.630 1.00 0.00 C ATOM 0 H THR A 48 8.482 0.819 4.265 1.00 0.00 H new ATOM 0 HA THR A 48 10.183 -0.504 2.255 1.00 0.00 H new ATOM 0 HB THR A 48 8.062 -0.729 0.942 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.804 0.089 3.401 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.093 -2.548 2.300 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.872 -2.601 2.304 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.997 -1.965 3.718 1.00 0.00 H new ATOM 716 N LYS A 49 9.433 1.328 0.382 1.00 0.00 N ATOM 717 CA LYS A 49 9.522 2.508 -0.469 1.00 0.00 C ATOM 718 C LYS A 49 8.258 2.672 -1.306 1.00 0.00 C ATOM 719 O LYS A 49 8.160 2.136 -2.410 1.00 0.00 O ATOM 720 CB LYS A 49 10.744 2.411 -1.384 1.00 0.00 C ATOM 721 CG LYS A 49 12.008 2.996 -0.778 1.00 0.00 C ATOM 722 CD LYS A 49 12.155 4.471 -1.111 1.00 0.00 C ATOM 723 CE LYS A 49 12.644 4.674 -2.537 1.00 0.00 C ATOM 724 NZ LYS A 49 14.057 4.237 -2.705 1.00 0.00 N ATOM 0 H LYS A 49 9.393 0.444 -0.126 1.00 0.00 H new ATOM 0 HA LYS A 49 9.626 3.382 0.174 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.920 1.364 -1.630 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.528 2.926 -2.320 1.00 0.00 H new ATOM 0 HG2 LYS A 49 11.987 2.867 0.304 1.00 0.00 H new ATOM 0 HG3 LYS A 49 12.876 2.450 -1.148 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.196 4.972 -0.979 1.00 0.00 H new ATOM 0 HD3 LYS A 49 12.855 4.934 -0.416 1.00 0.00 H new ATOM 0 HE2 LYS A 49 12.007 4.115 -3.223 1.00 0.00 H new ATOM 0 HE3 LYS A 49 12.555 5.727 -2.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 14.450 4.657 -3.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 14.616 4.548 -1.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 14.094 3.200 -2.776 1.00 0.00 H new ATOM 738 N ILE A 50 7.294 3.417 -0.775 1.00 0.00 N ATOM 739 CA ILE A 50 6.038 3.652 -1.475 1.00 0.00 C ATOM 740 C ILE A 50 6.190 4.751 -2.523 1.00 0.00 C ATOM 741 O ILE A 50 6.651 5.851 -2.220 1.00 0.00 O ATOM 742 CB ILE A 50 4.914 4.043 -0.499 1.00 0.00 C ATOM 743 CG1 ILE A 50 4.732 2.958 0.564 1.00 0.00 C ATOM 744 CG2 ILE A 50 3.613 4.276 -1.254 1.00 0.00 C ATOM 745 CD1 ILE A 50 3.991 3.434 1.794 1.00 0.00 C ATOM 0 H ILE A 50 7.359 3.868 0.138 1.00 0.00 H new ATOM 0 HA ILE A 50 5.772 2.717 -1.967 1.00 0.00 H new ATOM 0 HB ILE A 50 5.193 4.971 -0.000 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.191 2.119 0.126 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.712 2.585 0.862 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.828 4.552 -0.550 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.751 5.080 -1.977 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.327 3.363 -1.777 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.899 2.612 2.504 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.542 4.253 2.256 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.997 3.780 1.509 1.00 0.00 H new ATOM 757 N GLN A 51 5.799 4.443 -3.755 1.00 0.00 N ATOM 758 CA GLN A 51 5.891 5.405 -4.848 1.00 0.00 C ATOM 759 C GLN A 51 4.526 5.633 -5.489 1.00 0.00 C ATOM 760 O GLN A 51 3.972 4.738 -6.128 1.00 0.00 O ATOM 761 CB GLN A 51 6.887 4.918 -5.902 1.00 0.00 C ATOM 762 CG GLN A 51 7.582 6.044 -6.649 1.00 0.00 C ATOM 763 CD GLN A 51 8.353 6.969 -5.726 1.00 0.00 C ATOM 764 OE1 GLN A 51 9.225 6.530 -4.974 1.00 0.00 O ATOM 765 NE2 GLN A 51 8.034 8.256 -5.777 1.00 0.00 N ATOM 0 H GLN A 51 5.416 3.536 -4.022 1.00 0.00 H new ATOM 0 HA GLN A 51 6.242 6.351 -4.436 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.640 4.295 -5.418 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.364 4.286 -6.620 1.00 0.00 H new ATOM 0 HG2 GLN A 51 8.265 5.619 -7.385 1.00 0.00 H new ATOM 0 HG3 GLN A 51 6.840 6.622 -7.199 1.00 0.00 H new ATOM 0 HE21 GLN A 51 7.305 8.576 -6.415 1.00 0.00 H new ATOM 0 HE22 GLN A 51 8.518 8.925 -5.178 1.00 0.00 H new ATOM 774 N ILE A 52 3.990 6.836 -5.313 1.00 0.00 N ATOM 775 CA ILE A 52 2.690 7.180 -5.875 1.00 0.00 C ATOM 776 C ILE A 52 2.843 8.024 -7.137 1.00 0.00 C ATOM 777 O ILE A 52 3.621 8.977 -7.186 1.00 0.00 O ATOM 778 CB ILE A 52 1.823 7.949 -4.860 1.00 0.00 C ATOM 779 CG1 ILE A 52 1.509 7.064 -3.652 1.00 0.00 C ATOM 780 CG2 ILE A 52 0.539 8.432 -5.517 1.00 0.00 C ATOM 781 CD1 ILE A 52 0.905 7.821 -2.489 1.00 0.00 C ATOM 0 H ILE A 52 4.435 7.588 -4.786 1.00 0.00 H new ATOM 0 HA ILE A 52 2.196 6.241 -6.125 1.00 0.00 H new ATOM 0 HB ILE A 52 2.380 8.820 -4.515 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.821 6.276 -3.958 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.426 6.576 -3.321 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.062 8.973 -4.786 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.782 9.094 -6.348 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.025 7.576 -5.888 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.708 7.131 -1.668 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.600 8.592 -2.156 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.029 8.286 -2.804 1.00 0.00 H new ATOM 793 N PRO A 53 2.082 7.668 -8.182 1.00 0.00 N ATOM 794 CA PRO A 53 2.113 8.381 -9.462 1.00 0.00 C ATOM 795 C PRO A 53 1.500 9.774 -9.366 1.00 0.00 C ATOM 796 O PRO A 53 0.547 9.993 -8.619 1.00 0.00 O ATOM 797 CB PRO A 53 1.274 7.491 -10.384 1.00 0.00 C ATOM 798 CG PRO A 53 0.361 6.752 -9.469 1.00 0.00 C ATOM 799 CD PRO A 53 1.131 6.543 -8.194 1.00 0.00 C ATOM 0 HA PRO A 53 3.132 8.543 -9.813 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.715 8.085 -11.106 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.903 6.807 -10.953 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -0.551 7.320 -9.285 1.00 0.00 H new ATOM 0 HG3 PRO A 53 0.060 5.799 -9.904 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.477 6.560 -7.322 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.645 5.582 -8.188 1.00 0.00 H new ATOM 807 N ARG A 54 2.055 10.713 -10.127 1.00 0.00 N ATOM 808 CA ARG A 54 1.563 12.086 -10.125 1.00 0.00 C ATOM 809 C ARG A 54 0.047 12.120 -10.295 1.00 0.00 C ATOM 810 O ARG A 54 -0.570 11.174 -10.785 1.00 0.00 O ATOM 811 CB ARG A 54 2.230 12.889 -11.242 1.00 0.00 C ATOM 812 CG ARG A 54 3.552 13.519 -10.834 1.00 0.00 C ATOM 813 CD ARG A 54 4.069 14.472 -11.901 1.00 0.00 C ATOM 814 NE ARG A 54 5.491 14.759 -11.736 1.00 0.00 N ATOM 815 CZ ARG A 54 6.173 15.576 -12.530 1.00 0.00 C ATOM 816 NH1 ARG A 54 5.565 16.184 -13.540 1.00 0.00 N ATOM 817 NH2 ARG A 54 7.465 15.786 -12.315 1.00 0.00 N ATOM 0 H ARG A 54 2.844 10.548 -10.752 1.00 0.00 H new ATOM 0 HA ARG A 54 1.814 12.535 -9.164 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.398 12.235 -12.098 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.549 13.674 -11.570 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.425 14.057 -9.895 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.289 12.736 -10.656 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.899 14.039 -12.887 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.504 15.403 -11.860 1.00 0.00 H new ATOM 0 HE ARG A 54 5.988 14.307 -10.968 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.572 16.024 -13.708 1.00 0.00 H new ATOM 0 HH12 ARG A 54 6.091 16.811 -14.149 1.00 0.00 H new ATOM 0 HH21 ARG A 54 7.935 15.320 -11.539 1.00 0.00 H new ATOM 0 HH22 ARG A 54 7.988 16.414 -12.925 1.00 0.00 H new ATOM 831 N PRO A 55 -0.570 13.237 -9.880 1.00 0.00 N ATOM 832 CA PRO A 55 -2.021 13.422 -9.976 1.00 0.00 C ATOM 833 C PRO A 55 -2.491 13.581 -11.417 1.00 0.00 C ATOM 834 O PRO A 55 -3.683 13.476 -11.707 1.00 0.00 O ATOM 835 CB PRO A 55 -2.267 14.711 -9.188 1.00 0.00 C ATOM 836 CG PRO A 55 -0.976 15.452 -9.263 1.00 0.00 C ATOM 837 CD PRO A 55 0.102 14.404 -9.287 1.00 0.00 C ATOM 0 HA PRO A 55 -2.568 12.561 -9.592 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -3.082 15.291 -9.621 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.542 14.497 -8.155 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -0.935 16.075 -10.157 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -0.856 16.115 -8.406 1.00 0.00 H new ATOM 0 HD2 PRO A 55 0.957 14.721 -9.883 1.00 0.00 H new ATOM 0 HD3 PRO A 55 0.474 14.187 -8.286 1.00 0.00 H new ATOM 845 N ASP A 56 -1.547 13.832 -12.318 1.00 0.00 N ATOM 846 CA ASP A 56 -1.866 14.004 -13.731 1.00 0.00 C ATOM 847 C ASP A 56 -1.573 12.727 -14.513 1.00 0.00 C ATOM 848 O ASP A 56 -2.141 12.498 -15.581 1.00 0.00 O ATOM 849 CB ASP A 56 -1.069 15.170 -14.318 1.00 0.00 C ATOM 850 CG ASP A 56 -1.638 15.656 -15.635 1.00 0.00 C ATOM 851 OD1 ASP A 56 -1.984 14.805 -16.482 1.00 0.00 O ATOM 852 OD2 ASP A 56 -1.739 16.886 -15.821 1.00 0.00 O ATOM 0 H ASP A 56 -0.556 13.921 -12.095 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.930 14.224 -13.814 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.058 15.994 -13.605 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.034 14.861 -14.465 1.00 0.00 H new ATOM 857 N ASP A 57 -0.684 11.900 -13.973 1.00 0.00 N ATOM 858 CA ASP A 57 -0.316 10.646 -14.620 1.00 0.00 C ATOM 859 C ASP A 57 -1.469 9.649 -14.570 1.00 0.00 C ATOM 860 O ASP A 57 -2.175 9.529 -13.568 1.00 0.00 O ATOM 861 CB ASP A 57 0.922 10.047 -13.952 1.00 0.00 C ATOM 862 CG ASP A 57 1.662 9.084 -14.860 1.00 0.00 C ATOM 863 OD1 ASP A 57 2.532 9.543 -15.628 1.00 0.00 O ATOM 864 OD2 ASP A 57 1.370 7.871 -14.802 1.00 0.00 O ATOM 0 H ASP A 57 -0.205 12.075 -13.090 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.089 10.858 -15.665 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.595 10.851 -13.654 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.624 9.527 -13.042 1.00 0.00 H new ATOM 869 N PRO A 58 -1.667 8.916 -15.675 1.00 0.00 N ATOM 870 CA PRO A 58 -2.735 7.917 -15.782 1.00 0.00 C ATOM 871 C PRO A 58 -2.478 6.698 -14.902 1.00 0.00 C ATOM 872 O PRO A 58 -3.283 5.767 -14.864 1.00 0.00 O ATOM 873 CB PRO A 58 -2.707 7.524 -17.261 1.00 0.00 C ATOM 874 CG PRO A 58 -1.313 7.811 -17.702 1.00 0.00 C ATOM 875 CD PRO A 58 -0.865 9.006 -16.906 1.00 0.00 C ATOM 0 HA PRO A 58 -3.696 8.310 -15.450 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -2.956 6.471 -17.396 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -3.431 8.100 -17.838 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -0.662 6.955 -17.521 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -1.277 8.019 -18.771 1.00 0.00 H new ATOM 0 HD2 PRO A 58 0.203 8.969 -16.693 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -1.052 9.938 -17.440 1.00 0.00 H new ATOM 883 N SER A 59 -1.353 6.711 -14.194 1.00 0.00 N ATOM 884 CA SER A 59 -0.988 5.605 -13.316 1.00 0.00 C ATOM 885 C SER A 59 -1.715 5.711 -11.979 1.00 0.00 C ATOM 886 O SER A 59 -1.568 6.697 -11.258 1.00 0.00 O ATOM 887 CB SER A 59 0.524 5.584 -13.088 1.00 0.00 C ATOM 888 OG SER A 59 1.224 5.474 -14.315 1.00 0.00 O ATOM 0 H SER A 59 -0.678 7.476 -14.211 1.00 0.00 H new ATOM 0 HA SER A 59 -1.287 4.675 -13.800 1.00 0.00 H new ATOM 0 HB2 SER A 59 0.830 6.494 -12.572 1.00 0.00 H new ATOM 0 HB3 SER A 59 0.786 4.747 -12.440 1.00 0.00 H new ATOM 0 HG SER A 59 1.657 6.328 -14.522 1.00 0.00 H new ATOM 894 N ASN A 60 -2.500 4.688 -11.656 1.00 0.00 N ATOM 895 CA ASN A 60 -3.250 4.666 -10.406 1.00 0.00 C ATOM 896 C ASN A 60 -2.860 3.458 -9.560 1.00 0.00 C ATOM 897 O ASN A 60 -3.596 3.056 -8.659 1.00 0.00 O ATOM 898 CB ASN A 60 -4.754 4.640 -10.690 1.00 0.00 C ATOM 899 CG ASN A 60 -5.170 3.419 -11.487 1.00 0.00 C ATOM 900 OD1 ASN A 60 -4.746 3.234 -12.628 1.00 0.00 O ATOM 901 ND2 ASN A 60 -6.006 2.579 -10.888 1.00 0.00 N ATOM 0 H ASN A 60 -2.633 3.864 -12.242 1.00 0.00 H new ATOM 0 HA ASN A 60 -3.008 5.571 -9.849 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.300 4.658 -9.747 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.033 5.540 -11.237 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.322 1.740 -11.375 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.332 2.772 -9.941 1.00 0.00 H new ATOM 908 N GLN A 61 -1.698 2.885 -9.855 1.00 0.00 N ATOM 909 CA GLN A 61 -1.211 1.723 -9.121 1.00 0.00 C ATOM 910 C GLN A 61 -0.002 2.088 -8.266 1.00 0.00 C ATOM 911 O GLN A 61 1.022 2.538 -8.781 1.00 0.00 O ATOM 912 CB GLN A 61 -0.844 0.597 -10.091 1.00 0.00 C ATOM 913 CG GLN A 61 0.068 1.042 -11.221 1.00 0.00 C ATOM 914 CD GLN A 61 0.721 -0.124 -11.937 1.00 0.00 C ATOM 915 OE1 GLN A 61 1.915 -0.094 -12.237 1.00 0.00 O ATOM 916 NE2 GLN A 61 -0.061 -1.160 -12.215 1.00 0.00 N ATOM 0 H GLN A 61 -1.076 3.206 -10.597 1.00 0.00 H new ATOM 0 HA GLN A 61 -2.009 1.380 -8.463 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.357 -0.205 -9.536 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -1.758 0.182 -10.515 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -0.507 1.628 -11.938 1.00 0.00 H new ATOM 0 HG3 GLN A 61 0.842 1.698 -10.822 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -1.045 -1.142 -11.948 1.00 0.00 H new ATOM 0 HE22 GLN A 61 0.322 -1.974 -12.696 1.00 0.00 H new ATOM 925 N ILE A 62 -0.127 1.890 -6.958 1.00 0.00 N ATOM 926 CA ILE A 62 0.956 2.197 -6.032 1.00 0.00 C ATOM 927 C ILE A 62 2.060 1.148 -6.110 1.00 0.00 C ATOM 928 O ILE A 62 1.801 -0.022 -6.388 1.00 0.00 O ATOM 929 CB ILE A 62 0.447 2.284 -4.580 1.00 0.00 C ATOM 930 CG1 ILE A 62 -0.311 3.595 -4.360 1.00 0.00 C ATOM 931 CG2 ILE A 62 1.609 2.169 -3.605 1.00 0.00 C ATOM 932 CD1 ILE A 62 -0.943 3.704 -2.991 1.00 0.00 C ATOM 0 H ILE A 62 -0.968 1.518 -6.516 1.00 0.00 H new ATOM 0 HA ILE A 62 1.358 3.166 -6.326 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.238 1.455 -4.400 1.00 0.00 H new ATOM 0 HG12 ILE A 62 0.375 4.430 -4.502 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.088 3.688 -5.119 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.234 2.232 -2.583 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.111 1.212 -3.749 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.315 2.980 -3.783 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -1.463 4.658 -2.905 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.654 2.889 -2.852 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.168 3.643 -2.227 1.00 0.00 H new ATOM 944 N LYS A 63 3.293 1.577 -5.863 1.00 0.00 N ATOM 945 CA LYS A 63 4.439 0.676 -5.902 1.00 0.00 C ATOM 946 C LYS A 63 5.036 0.494 -4.510 1.00 0.00 C ATOM 947 O LYS A 63 5.267 1.467 -3.792 1.00 0.00 O ATOM 948 CB LYS A 63 5.505 1.214 -6.859 1.00 0.00 C ATOM 949 CG LYS A 63 6.805 0.429 -6.824 1.00 0.00 C ATOM 950 CD LYS A 63 7.841 1.025 -7.763 1.00 0.00 C ATOM 951 CE LYS A 63 7.740 0.425 -9.157 1.00 0.00 C ATOM 952 NZ LYS A 63 6.736 1.136 -9.995 1.00 0.00 N ATOM 0 H LYS A 63 3.524 2.544 -5.634 1.00 0.00 H new ATOM 0 HA LYS A 63 4.094 -0.294 -6.260 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.110 1.201 -7.875 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.712 2.255 -6.611 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.197 0.418 -5.807 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.613 -0.607 -7.103 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.704 2.105 -7.820 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.840 0.851 -7.362 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.715 0.469 -9.643 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.469 -0.628 -9.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.010 1.070 -10.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.802 0.699 -9.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.694 2.136 -9.712 1.00 0.00 H new ATOM 966 N ILE A 64 5.283 -0.757 -4.137 1.00 0.00 N ATOM 967 CA ILE A 64 5.856 -1.066 -2.832 1.00 0.00 C ATOM 968 C ILE A 64 7.090 -1.951 -2.968 1.00 0.00 C ATOM 969 O ILE A 64 7.003 -3.091 -3.425 1.00 0.00 O ATOM 970 CB ILE A 64 4.832 -1.767 -1.920 1.00 0.00 C ATOM 971 CG1 ILE A 64 3.816 -2.544 -2.760 1.00 0.00 C ATOM 972 CG2 ILE A 64 4.127 -0.751 -1.034 1.00 0.00 C ATOM 973 CD1 ILE A 64 2.807 -3.309 -1.932 1.00 0.00 C ATOM 0 H ILE A 64 5.096 -1.573 -4.719 1.00 0.00 H new ATOM 0 HA ILE A 64 6.142 -0.116 -2.380 1.00 0.00 H new ATOM 0 HB ILE A 64 5.362 -2.472 -1.280 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.287 -1.848 -3.411 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.349 -3.242 -3.406 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.407 -1.263 -0.396 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.862 -0.238 -0.413 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.607 -0.024 -1.657 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.119 -3.836 -2.593 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.326 -4.029 -1.300 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.248 -2.614 -1.306 1.00 0.00 H new ATOM 985 N THR A 65 8.240 -1.419 -2.565 1.00 0.00 N ATOM 986 CA THR A 65 9.492 -2.160 -2.642 1.00 0.00 C ATOM 987 C THR A 65 10.136 -2.296 -1.266 1.00 0.00 C ATOM 988 O THR A 65 10.124 -1.358 -0.470 1.00 0.00 O ATOM 989 CB THR A 65 10.490 -1.480 -3.598 1.00 0.00 C ATOM 990 OG1 THR A 65 9.861 -1.217 -4.857 1.00 0.00 O ATOM 991 CG2 THR A 65 11.716 -2.356 -3.812 1.00 0.00 C ATOM 0 H THR A 65 8.330 -0.478 -2.182 1.00 0.00 H new ATOM 0 HA THR A 65 9.249 -3.151 -3.027 1.00 0.00 H new ATOM 0 HB THR A 65 10.808 -0.540 -3.148 1.00 0.00 H new ATOM 0 HG1 THR A 65 10.502 -0.783 -5.458 1.00 0.00 H new ATOM 0 HG21 THR A 65 12.407 -1.856 -4.491 1.00 0.00 H new ATOM 0 HG22 THR A 65 12.209 -2.531 -2.856 1.00 0.00 H new ATOM 0 HG23 THR A 65 11.411 -3.310 -4.243 1.00 0.00 H new ATOM 999 N GLY A 66 10.699 -3.469 -0.994 1.00 0.00 N ATOM 1000 CA GLY A 66 11.340 -3.704 0.287 1.00 0.00 C ATOM 1001 C GLY A 66 11.461 -5.179 0.611 1.00 0.00 C ATOM 1002 O GLY A 66 11.685 -6.003 -0.277 1.00 0.00 O ATOM 0 H GLY A 66 10.723 -4.260 -1.637 1.00 0.00 H new ATOM 0 HA2 GLY A 66 12.333 -3.254 0.281 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.769 -3.208 1.072 1.00 0.00 H new ATOM 1006 N THR A 67 11.316 -5.517 1.890 1.00 0.00 N ATOM 1007 CA THR A 67 11.414 -6.903 2.330 1.00 0.00 C ATOM 1008 C THR A 67 10.092 -7.636 2.134 1.00 0.00 C ATOM 1009 O THR A 67 9.053 -7.016 1.909 1.00 0.00 O ATOM 1010 CB THR A 67 11.823 -6.993 3.812 1.00 0.00 C ATOM 1011 OG1 THR A 67 10.860 -6.318 4.628 1.00 0.00 O ATOM 1012 CG2 THR A 67 13.199 -6.382 4.033 1.00 0.00 C ATOM 0 H THR A 67 11.130 -4.849 2.638 1.00 0.00 H new ATOM 0 HA THR A 67 12.183 -7.376 1.719 1.00 0.00 H new ATOM 0 HB THR A 67 11.862 -8.046 4.091 1.00 0.00 H new ATOM 0 HG1 THR A 67 10.740 -6.810 5.467 1.00 0.00 H new ATOM 0 HG21 THR A 67 13.466 -6.458 5.087 1.00 0.00 H new ATOM 0 HG22 THR A 67 13.935 -6.917 3.433 1.00 0.00 H new ATOM 0 HG23 THR A 67 13.183 -5.333 3.737 1.00 0.00 H new ATOM 1020 N LYS A 68 10.138 -8.962 2.220 1.00 0.00 N ATOM 1021 CA LYS A 68 8.944 -9.782 2.054 1.00 0.00 C ATOM 1022 C LYS A 68 7.929 -9.494 3.156 1.00 0.00 C ATOM 1023 O LYS A 68 6.728 -9.683 2.970 1.00 0.00 O ATOM 1024 CB LYS A 68 9.315 -11.266 2.062 1.00 0.00 C ATOM 1025 CG LYS A 68 9.591 -11.832 0.680 1.00 0.00 C ATOM 1026 CD LYS A 68 9.853 -13.328 0.731 1.00 0.00 C ATOM 1027 CE LYS A 68 10.345 -13.854 -0.608 1.00 0.00 C ATOM 1028 NZ LYS A 68 9.216 -14.198 -1.516 1.00 0.00 N ATOM 0 H LYS A 68 10.990 -9.491 2.404 1.00 0.00 H new ATOM 0 HA LYS A 68 8.492 -9.532 1.094 1.00 0.00 H new ATOM 0 HB2 LYS A 68 10.197 -11.408 2.686 1.00 0.00 H new ATOM 0 HB3 LYS A 68 8.505 -11.832 2.522 1.00 0.00 H new ATOM 0 HG2 LYS A 68 8.740 -11.633 0.028 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.452 -11.326 0.244 1.00 0.00 H new ATOM 0 HD2 LYS A 68 10.593 -13.543 1.502 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.938 -13.849 1.014 1.00 0.00 H new ATOM 0 HE2 LYS A 68 10.978 -13.104 -1.083 1.00 0.00 H new ATOM 0 HE3 LYS A 68 10.964 -14.737 -0.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 9.592 -14.553 -2.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 8.626 -14.932 -1.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 8.640 -13.350 -1.691 1.00 0.00 H new ATOM 1042 N GLU A 69 8.421 -9.034 4.302 1.00 0.00 N ATOM 1043 CA GLU A 69 7.555 -8.720 5.433 1.00 0.00 C ATOM 1044 C GLU A 69 7.105 -7.263 5.384 1.00 0.00 C ATOM 1045 O GLU A 69 5.955 -6.947 5.691 1.00 0.00 O ATOM 1046 CB GLU A 69 8.280 -8.997 6.751 1.00 0.00 C ATOM 1047 CG GLU A 69 8.579 -10.469 6.984 1.00 0.00 C ATOM 1048 CD GLU A 69 9.582 -10.691 8.099 1.00 0.00 C ATOM 1049 OE1 GLU A 69 9.260 -10.366 9.261 1.00 0.00 O ATOM 1050 OE2 GLU A 69 10.689 -11.192 7.810 1.00 0.00 O ATOM 0 H GLU A 69 9.413 -8.871 4.472 1.00 0.00 H new ATOM 0 HA GLU A 69 6.673 -9.358 5.371 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.216 -8.438 6.766 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.673 -8.623 7.575 1.00 0.00 H new ATOM 0 HG2 GLU A 69 7.653 -10.990 7.225 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.962 -10.908 6.063 1.00 0.00 H new ATOM 1057 N GLY A 70 8.019 -6.378 4.998 1.00 0.00 N ATOM 1058 CA GLY A 70 7.697 -4.966 4.917 1.00 0.00 C ATOM 1059 C GLY A 70 6.632 -4.672 3.880 1.00 0.00 C ATOM 1060 O GLY A 70 5.618 -4.043 4.183 1.00 0.00 O ATOM 0 H GLY A 70 8.977 -6.614 4.740 1.00 0.00 H new ATOM 0 HA2 GLY A 70 7.356 -4.618 5.892 1.00 0.00 H new ATOM 0 HA3 GLY A 70 8.599 -4.404 4.676 1.00 0.00 H new ATOM 1064 N ILE A 71 6.862 -5.128 2.653 1.00 0.00 N ATOM 1065 CA ILE A 71 5.914 -4.909 1.568 1.00 0.00 C ATOM 1066 C ILE A 71 4.535 -5.456 1.923 1.00 0.00 C ATOM 1067 O ILE A 71 3.516 -4.829 1.638 1.00 0.00 O ATOM 1068 CB ILE A 71 6.392 -5.568 0.260 1.00 0.00 C ATOM 1069 CG1 ILE A 71 7.771 -5.031 -0.130 1.00 0.00 C ATOM 1070 CG2 ILE A 71 5.388 -5.323 -0.855 1.00 0.00 C ATOM 1071 CD1 ILE A 71 8.389 -5.754 -1.307 1.00 0.00 C ATOM 0 H ILE A 71 7.696 -5.651 2.386 1.00 0.00 H new ATOM 0 HA ILE A 71 5.849 -3.831 1.420 1.00 0.00 H new ATOM 0 HB ILE A 71 6.472 -6.643 0.419 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.685 -3.971 -0.369 1.00 0.00 H new ATOM 0 HG13 ILE A 71 8.439 -5.111 0.727 1.00 0.00 H new ATOM 0 HG21 ILE A 71 5.740 -5.795 -1.772 1.00 0.00 H new ATOM 0 HG22 ILE A 71 4.424 -5.747 -0.576 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.279 -4.251 -1.017 1.00 0.00 H new ATOM 0 HD11 ILE A 71 9.365 -5.321 -1.528 1.00 0.00 H new ATOM 0 HD12 ILE A 71 8.507 -6.810 -1.064 1.00 0.00 H new ATOM 0 HD13 ILE A 71 7.741 -5.652 -2.178 1.00 0.00 H new ATOM 1083 N GLU A 72 4.513 -6.628 2.550 1.00 0.00 N ATOM 1084 CA GLU A 72 3.260 -7.259 2.945 1.00 0.00 C ATOM 1085 C GLU A 72 2.457 -6.343 3.866 1.00 0.00 C ATOM 1086 O GLU A 72 1.266 -6.116 3.650 1.00 0.00 O ATOM 1087 CB GLU A 72 3.532 -8.591 3.646 1.00 0.00 C ATOM 1088 CG GLU A 72 3.959 -9.700 2.699 1.00 0.00 C ATOM 1089 CD GLU A 72 2.783 -10.371 2.016 1.00 0.00 C ATOM 1090 OE1 GLU A 72 1.792 -9.670 1.719 1.00 0.00 O ATOM 1091 OE2 GLU A 72 2.851 -11.596 1.781 1.00 0.00 O ATOM 0 H GLU A 72 5.349 -7.159 2.795 1.00 0.00 H new ATOM 0 HA GLU A 72 2.676 -7.444 2.043 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.310 -8.445 4.396 1.00 0.00 H new ATOM 0 HB3 GLU A 72 2.632 -8.904 4.176 1.00 0.00 H new ATOM 0 HG2 GLU A 72 4.627 -9.289 1.942 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.527 -10.447 3.253 1.00 0.00 H new ATOM 1098 N LYS A 73 3.118 -5.821 4.893 1.00 0.00 N ATOM 1099 CA LYS A 73 2.469 -4.930 5.847 1.00 0.00 C ATOM 1100 C LYS A 73 1.803 -3.759 5.133 1.00 0.00 C ATOM 1101 O LYS A 73 0.620 -3.487 5.335 1.00 0.00 O ATOM 1102 CB LYS A 73 3.488 -4.408 6.864 1.00 0.00 C ATOM 1103 CG LYS A 73 3.767 -5.379 7.998 1.00 0.00 C ATOM 1104 CD LYS A 73 4.904 -4.893 8.881 1.00 0.00 C ATOM 1105 CE LYS A 73 5.558 -6.042 9.631 1.00 0.00 C ATOM 1106 NZ LYS A 73 6.501 -6.804 8.766 1.00 0.00 N ATOM 0 H LYS A 73 4.103 -6.000 5.086 1.00 0.00 H new ATOM 0 HA LYS A 73 1.700 -5.498 6.370 1.00 0.00 H new ATOM 0 HB2 LYS A 73 4.422 -4.186 6.349 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.124 -3.469 7.282 1.00 0.00 H new ATOM 0 HG2 LYS A 73 2.867 -5.506 8.599 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.017 -6.357 7.587 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.650 -4.385 8.269 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.525 -4.161 9.594 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.093 -5.652 10.497 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.788 -6.714 10.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.585 -7.779 9.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.142 -6.819 7.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.435 -6.347 8.785 1.00 0.00 H new ATOM 1120 N ALA A 74 2.570 -3.070 4.294 1.00 0.00 N ATOM 1121 CA ALA A 74 2.053 -1.931 3.546 1.00 0.00 C ATOM 1122 C ALA A 74 0.964 -2.363 2.570 1.00 0.00 C ATOM 1123 O ALA A 74 -0.026 -1.658 2.378 1.00 0.00 O ATOM 1124 CB ALA A 74 3.182 -1.230 2.804 1.00 0.00 C ATOM 0 H ALA A 74 3.552 -3.281 4.115 1.00 0.00 H new ATOM 0 HA ALA A 74 1.611 -1.232 4.256 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.781 -0.381 2.250 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.924 -0.878 3.520 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.650 -1.928 2.110 1.00 0.00 H new ATOM 1130 N ARG A 75 1.155 -3.526 1.956 1.00 0.00 N ATOM 1131 CA ARG A 75 0.190 -4.051 0.997 1.00 0.00 C ATOM 1132 C ARG A 75 -1.139 -4.363 1.680 1.00 0.00 C ATOM 1133 O ARG A 75 -2.206 -4.214 1.083 1.00 0.00 O ATOM 1134 CB ARG A 75 0.739 -5.312 0.326 1.00 0.00 C ATOM 1135 CG ARG A 75 0.222 -5.524 -1.087 1.00 0.00 C ATOM 1136 CD ARG A 75 1.129 -6.454 -1.878 1.00 0.00 C ATOM 1137 NE ARG A 75 0.855 -6.398 -3.312 1.00 0.00 N ATOM 1138 CZ ARG A 75 -0.234 -6.911 -3.872 1.00 0.00 C ATOM 1139 NH1 ARG A 75 -1.147 -7.517 -3.124 1.00 0.00 N ATOM 1140 NH2 ARG A 75 -0.414 -6.820 -5.184 1.00 0.00 N ATOM 0 H ARG A 75 1.969 -4.123 2.105 1.00 0.00 H new ATOM 0 HA ARG A 75 0.019 -3.289 0.237 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.827 -5.256 0.301 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.479 -6.179 0.933 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.784 -5.941 -1.049 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.150 -4.563 -1.597 1.00 0.00 H new ATOM 0 HD2 ARG A 75 2.170 -6.185 -1.697 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.997 -7.476 -1.524 1.00 0.00 H new ATOM 0 HE ARG A 75 1.538 -5.940 -3.916 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.013 -7.590 -2.115 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.982 -7.910 -3.558 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.285 -6.355 -5.764 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.251 -7.215 -5.612 1.00 0.00 H new ATOM 1154 N HIS A 76 -1.067 -4.798 2.933 1.00 0.00 N ATOM 1155 CA HIS A 76 -2.264 -5.131 3.698 1.00 0.00 C ATOM 1156 C HIS A 76 -3.011 -3.867 4.115 1.00 0.00 C ATOM 1157 O HIS A 76 -4.241 -3.828 4.093 1.00 0.00 O ATOM 1158 CB HIS A 76 -1.893 -5.950 4.935 1.00 0.00 C ATOM 1159 CG HIS A 76 -3.062 -6.640 5.568 1.00 0.00 C ATOM 1160 ND1 HIS A 76 -3.759 -7.657 4.952 1.00 0.00 N ATOM 1161 CD2 HIS A 76 -3.654 -6.456 6.771 1.00 0.00 C ATOM 1162 CE1 HIS A 76 -4.731 -8.068 5.747 1.00 0.00 C ATOM 1163 NE2 HIS A 76 -4.688 -7.354 6.858 1.00 0.00 N ATOM 0 H HIS A 76 -0.192 -4.928 3.441 1.00 0.00 H new ATOM 0 HA HIS A 76 -2.919 -5.726 3.061 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -1.148 -6.696 4.657 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -1.428 -5.293 5.670 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -3.366 -5.736 7.523 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -5.439 -8.853 5.527 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -5.321 -7.454 7.652 1.00 0.00 H new ATOM 1171 N GLU A 77 -2.260 -2.838 4.493 1.00 0.00 N ATOM 1172 CA GLU A 77 -2.853 -1.576 4.917 1.00 0.00 C ATOM 1173 C GLU A 77 -3.460 -0.834 3.728 1.00 0.00 C ATOM 1174 O GLU A 77 -4.618 -0.418 3.768 1.00 0.00 O ATOM 1175 CB GLU A 77 -1.802 -0.696 5.598 1.00 0.00 C ATOM 1176 CG GLU A 77 -1.361 -1.215 6.956 1.00 0.00 C ATOM 1177 CD GLU A 77 -2.450 -1.105 8.004 1.00 0.00 C ATOM 1178 OE1 GLU A 77 -3.306 -2.013 8.069 1.00 0.00 O ATOM 1179 OE2 GLU A 77 -2.448 -0.111 8.760 1.00 0.00 O ATOM 0 H GLU A 77 -1.240 -2.854 4.514 1.00 0.00 H new ATOM 0 HA GLU A 77 -3.647 -1.798 5.630 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -0.930 -0.617 4.948 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -2.204 0.310 5.716 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -1.057 -2.258 6.861 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -0.485 -0.657 7.287 1.00 0.00 H new ATOM 1186 N VAL A 78 -2.669 -0.674 2.673 1.00 0.00 N ATOM 1187 CA VAL A 78 -3.127 0.016 1.472 1.00 0.00 C ATOM 1188 C VAL A 78 -4.391 -0.630 0.915 1.00 0.00 C ATOM 1189 O VAL A 78 -5.304 0.058 0.460 1.00 0.00 O ATOM 1190 CB VAL A 78 -2.041 0.022 0.379 1.00 0.00 C ATOM 1191 CG1 VAL A 78 -1.948 -1.341 -0.288 1.00 0.00 C ATOM 1192 CG2 VAL A 78 -2.326 1.109 -0.647 1.00 0.00 C ATOM 0 H VAL A 78 -1.708 -1.012 2.625 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.346 1.044 1.761 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.080 0.237 0.846 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.176 -1.318 -1.057 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.695 -2.095 0.458 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.907 -1.589 -0.744 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -1.550 1.100 -1.412 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.295 0.926 -1.111 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.338 2.081 -0.154 1.00 0.00 H new ATOM 1202 N LEU A 79 -4.435 -1.958 0.955 1.00 0.00 N ATOM 1203 CA LEU A 79 -5.588 -2.699 0.455 1.00 0.00 C ATOM 1204 C LEU A 79 -6.777 -2.559 1.399 1.00 0.00 C ATOM 1205 O LEU A 79 -7.912 -2.363 0.961 1.00 0.00 O ATOM 1206 CB LEU A 79 -5.232 -4.176 0.280 1.00 0.00 C ATOM 1207 CG LEU A 79 -4.616 -4.564 -1.064 1.00 0.00 C ATOM 1208 CD1 LEU A 79 -3.889 -5.896 -0.955 1.00 0.00 C ATOM 1209 CD2 LEU A 79 -5.687 -4.627 -2.143 1.00 0.00 C ATOM 0 H LEU A 79 -3.687 -2.542 1.328 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.866 -2.281 -0.513 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.536 -4.457 1.070 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.136 -4.767 0.426 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.891 -3.800 -1.343 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.457 -6.155 -1.922 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.095 -5.817 -0.212 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.593 -6.671 -0.653 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -5.230 -4.905 -3.093 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.436 -5.370 -1.869 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.163 -3.651 -2.241 1.00 0.00 H new ATOM 1221 N LEU A 80 -6.512 -2.658 2.696 1.00 0.00 N ATOM 1222 CA LEU A 80 -7.560 -2.541 3.704 1.00 0.00 C ATOM 1223 C LEU A 80 -8.277 -1.199 3.589 1.00 0.00 C ATOM 1224 O LEU A 80 -9.506 -1.137 3.617 1.00 0.00 O ATOM 1225 CB LEU A 80 -6.967 -2.696 5.105 1.00 0.00 C ATOM 1226 CG LEU A 80 -6.857 -4.127 5.633 1.00 0.00 C ATOM 1227 CD1 LEU A 80 -6.142 -4.149 6.975 1.00 0.00 C ATOM 1228 CD2 LEU A 80 -8.238 -4.759 5.751 1.00 0.00 C ATOM 0 H LEU A 80 -5.579 -2.819 3.075 1.00 0.00 H new ATOM 0 HA LEU A 80 -8.285 -3.337 3.533 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.972 -2.252 5.108 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.576 -2.119 5.801 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.271 -4.711 4.924 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.074 -5.176 7.334 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.139 -3.737 6.860 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.700 -3.549 7.694 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.141 -5.777 6.128 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -8.848 -4.174 6.439 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.714 -4.779 4.771 1.00 0.00 H new ATOM 1240 N ILE A 81 -7.502 -0.129 3.457 1.00 0.00 N ATOM 1241 CA ILE A 81 -8.063 1.211 3.333 1.00 0.00 C ATOM 1242 C ILE A 81 -8.993 1.308 2.129 1.00 0.00 C ATOM 1243 O ILE A 81 -10.161 1.675 2.262 1.00 0.00 O ATOM 1244 CB ILE A 81 -6.957 2.275 3.202 1.00 0.00 C ATOM 1245 CG1 ILE A 81 -6.139 2.355 4.492 1.00 0.00 C ATOM 1246 CG2 ILE A 81 -7.563 3.630 2.869 1.00 0.00 C ATOM 1247 CD1 ILE A 81 -4.730 2.865 4.284 1.00 0.00 C ATOM 0 H ILE A 81 -6.483 -0.163 3.433 1.00 0.00 H new ATOM 0 HA ILE A 81 -8.631 1.401 4.244 1.00 0.00 H new ATOM 0 HB ILE A 81 -6.291 1.986 2.389 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -6.652 3.008 5.198 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -6.095 1.365 4.947 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -6.769 4.372 2.780 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.106 3.564 1.926 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -8.249 3.927 3.662 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -4.209 2.895 5.241 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -4.199 2.200 3.603 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -4.765 3.868 3.858 1.00 0.00 H new ATOM 1259 N SER A 82 -8.469 0.976 0.954 1.00 0.00 N ATOM 1260 CA SER A 82 -9.250 1.028 -0.275 1.00 0.00 C ATOM 1261 C SER A 82 -10.536 0.218 -0.135 1.00 0.00 C ATOM 1262 O SER A 82 -11.615 0.677 -0.507 1.00 0.00 O ATOM 1263 CB SER A 82 -8.427 0.501 -1.451 1.00 0.00 C ATOM 1264 OG SER A 82 -8.096 -0.865 -1.270 1.00 0.00 O ATOM 0 H SER A 82 -7.505 0.668 0.827 1.00 0.00 H new ATOM 0 HA SER A 82 -9.515 2.068 -0.465 1.00 0.00 H new ATOM 0 HB2 SER A 82 -8.990 0.623 -2.376 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.515 1.089 -1.553 1.00 0.00 H new ATOM 0 HG SER A 82 -7.920 -1.036 -0.321 1.00 0.00 H new ATOM 1270 N ALA A 83 -10.410 -0.990 0.405 1.00 0.00 N ATOM 1271 CA ALA A 83 -11.561 -1.865 0.596 1.00 0.00 C ATOM 1272 C ALA A 83 -12.641 -1.177 1.423 1.00 0.00 C ATOM 1273 O ALA A 83 -13.813 -1.168 1.046 1.00 0.00 O ATOM 1274 CB ALA A 83 -11.132 -3.164 1.259 1.00 0.00 C ATOM 0 H ALA A 83 -9.523 -1.385 0.718 1.00 0.00 H new ATOM 0 HA ALA A 83 -11.981 -2.093 -0.384 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -12.001 -3.807 1.395 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -10.401 -3.670 0.628 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -10.685 -2.947 2.229 1.00 0.00 H new ATOM 1280 N GLU A 84 -12.240 -0.601 2.552 1.00 0.00 N ATOM 1281 CA GLU A 84 -13.174 0.087 3.433 1.00 0.00 C ATOM 1282 C GLU A 84 -13.937 1.172 2.677 1.00 0.00 C ATOM 1283 O GLU A 84 -15.100 1.447 2.971 1.00 0.00 O ATOM 1284 CB GLU A 84 -12.432 0.704 4.620 1.00 0.00 C ATOM 1285 CG GLU A 84 -12.063 -0.303 5.697 1.00 0.00 C ATOM 1286 CD GLU A 84 -13.144 -0.453 6.750 1.00 0.00 C ATOM 1287 OE1 GLU A 84 -14.046 -1.295 6.560 1.00 0.00 O ATOM 1288 OE2 GLU A 84 -13.085 0.272 7.766 1.00 0.00 O ATOM 0 H GLU A 84 -11.273 -0.598 2.878 1.00 0.00 H new ATOM 0 HA GLU A 84 -13.890 -0.647 3.803 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -11.524 1.186 4.259 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -13.053 1.484 5.061 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -11.875 -1.272 5.234 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.134 0.007 6.176 1.00 0.00 H new ATOM 1295 N GLN A 85 -13.272 1.783 1.703 1.00 0.00 N ATOM 1296 CA GLN A 85 -13.885 2.839 0.904 1.00 0.00 C ATOM 1297 C GLN A 85 -15.014 2.283 0.044 1.00 0.00 C ATOM 1298 O GLN A 85 -16.068 2.906 -0.094 1.00 0.00 O ATOM 1299 CB GLN A 85 -12.836 3.513 0.018 1.00 0.00 C ATOM 1300 CG GLN A 85 -11.708 4.166 0.800 1.00 0.00 C ATOM 1301 CD GLN A 85 -12.212 5.128 1.858 1.00 0.00 C ATOM 1302 OE1 GLN A 85 -13.292 5.705 1.725 1.00 0.00 O ATOM 1303 NE2 GLN A 85 -11.430 5.307 2.916 1.00 0.00 N ATOM 0 H GLN A 85 -12.309 1.566 1.447 1.00 0.00 H new ATOM 0 HA GLN A 85 -14.303 3.580 1.586 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -12.415 2.771 -0.660 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -13.324 4.268 -0.599 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -11.105 3.392 1.275 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -11.055 4.700 0.110 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -10.543 4.808 2.985 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -11.716 5.943 3.660 1.00 0.00 H new