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 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 65 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 46 THR OG1 : rot -55:sc= 2.27 USER MOD Set 2.2: A 48 THR OG1 : rot -78:sc= 1.22 USER MOD Set 3.1: A 34 LYS NZ :NH3+ -156:sc= 0 (180deg=0) USER MOD Set 3.2: A 35 ASN : amide:sc= -0.0638 X(o=-0.064,f=0) 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+ 136:sc= 0.354 (180deg=-0.0144) USER MOD Single : A 27 HIS : no HE2:sc= -9.32! C(o=-9.3!,f=-11!) USER MOD Single : A 28 HIS : no HD1:sc= -1.73 K(o=-1.7,f=-7.4!) USER MOD Single : A 38 LYS NZ :NH3+ -131:sc= -0.268 (180deg=-1.96!) USER MOD Single : A 40 GLN :FLIP amide:sc= 0.144 F(o=-0.38,f=0.14) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0748) USER MOD Single : A 51 GLN : amide:sc= -0.0841 K(o=-0.084,f=-1.1) USER MOD Single : A 59 SER OG : rot 102:sc= 0.0229 USER MOD Single : A 60 ASN : amide:sc= 0.836 K(o=0.84,f=-3!) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.967 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= -0.217 (180deg=-0.217) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 HIS : no HD1:sc= -0.0855 X(o=-0.085,f=-0.33) USER MOD Single : A 82 SER OG : rot -81:sc= 1.09 USER MOD Single : A 85 GLN : amide:sc= -0.723 K(o=-0.72,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 214 N ALA A 17 12.247 -7.426 -3.426 1.00 0.00 N ATOM 215 CA ALA A 17 11.098 -7.581 -4.310 1.00 0.00 C ATOM 216 C ALA A 17 10.323 -6.275 -4.437 1.00 0.00 C ATOM 217 O ALA A 17 10.574 -5.318 -3.702 1.00 0.00 O ATOM 218 CB ALA A 17 10.188 -8.690 -3.802 1.00 0.00 C ATOM 0 HA ALA A 17 11.466 -7.852 -5.300 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.334 -8.795 -4.471 1.00 0.00 H new ATOM 0 HB2 ALA A 17 10.741 -9.629 -3.770 1.00 0.00 H new ATOM 0 HB3 ALA A 17 9.836 -8.442 -2.801 1.00 0.00 H new ATOM 224 N SER A 18 9.379 -6.239 -5.372 1.00 0.00 N ATOM 225 CA SER A 18 8.570 -5.047 -5.598 1.00 0.00 C ATOM 226 C SER A 18 7.180 -5.422 -6.103 1.00 0.00 C ATOM 227 O SER A 18 7.040 -6.117 -7.109 1.00 0.00 O ATOM 228 CB SER A 18 9.257 -4.121 -6.603 1.00 0.00 C ATOM 229 OG SER A 18 9.892 -4.863 -7.630 1.00 0.00 O ATOM 0 H SER A 18 9.155 -7.022 -5.986 1.00 0.00 H new ATOM 0 HA SER A 18 8.464 -4.525 -4.647 1.00 0.00 H new ATOM 0 HB2 SER A 18 8.522 -3.445 -7.040 1.00 0.00 H new ATOM 0 HB3 SER A 18 9.993 -3.503 -6.089 1.00 0.00 H new ATOM 0 HG SER A 18 10.322 -4.248 -8.260 1.00 0.00 H new ATOM 235 N ALA A 19 6.155 -4.958 -5.396 1.00 0.00 N ATOM 236 CA ALA A 19 4.776 -5.241 -5.772 1.00 0.00 C ATOM 237 C ALA A 19 3.983 -3.953 -5.960 1.00 0.00 C ATOM 238 O ALA A 19 4.451 -2.866 -5.618 1.00 0.00 O ATOM 239 CB ALA A 19 4.114 -6.123 -4.724 1.00 0.00 C ATOM 0 H ALA A 19 6.254 -4.384 -4.559 1.00 0.00 H new ATOM 0 HA ALA A 19 4.786 -5.772 -6.724 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.084 -6.327 -5.018 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.660 -7.063 -4.642 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.123 -5.613 -3.761 1.00 0.00 H new ATOM 245 N THR A 20 2.777 -4.080 -6.508 1.00 0.00 N ATOM 246 CA THR A 20 1.919 -2.926 -6.743 1.00 0.00 C ATOM 247 C THR A 20 0.468 -3.241 -6.397 1.00 0.00 C ATOM 248 O THR A 20 0.074 -4.404 -6.326 1.00 0.00 O ATOM 249 CB THR A 20 1.996 -2.457 -8.208 1.00 0.00 C ATOM 250 OG1 THR A 20 2.097 -3.589 -9.079 1.00 0.00 O ATOM 251 CG2 THR A 20 3.191 -1.540 -8.421 1.00 0.00 C ATOM 0 H THR A 20 2.374 -4.971 -6.797 1.00 0.00 H new ATOM 0 HA THR A 20 2.279 -2.127 -6.095 1.00 0.00 H new ATOM 0 HB THR A 20 1.087 -1.902 -8.437 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.144 -3.283 -10.009 1.00 0.00 H new ATOM 0 HG21 THR A 20 3.224 -1.222 -9.463 1.00 0.00 H new ATOM 0 HG22 THR A 20 3.098 -0.665 -7.777 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.108 -2.075 -8.176 1.00 0.00 H new ATOM 259 N VAL A 21 -0.325 -2.195 -6.184 1.00 0.00 N ATOM 260 CA VAL A 21 -1.734 -2.359 -5.848 1.00 0.00 C ATOM 261 C VAL A 21 -2.608 -1.416 -6.666 1.00 0.00 C ATOM 262 O VAL A 21 -2.563 -0.199 -6.487 1.00 0.00 O ATOM 263 CB VAL A 21 -1.987 -2.107 -4.350 1.00 0.00 C ATOM 264 CG1 VAL A 21 -1.357 -0.791 -3.916 1.00 0.00 C ATOM 265 CG2 VAL A 21 -3.478 -2.116 -4.053 1.00 0.00 C ATOM 0 H VAL A 21 -0.015 -1.225 -6.238 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.997 -3.390 -6.085 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.521 -2.911 -3.780 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.546 -0.630 -2.855 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.282 -0.827 -4.092 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.791 0.027 -4.490 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.638 -1.936 -2.990 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.969 -1.333 -4.631 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.897 -3.085 -4.325 1.00 0.00 H new ATOM 275 N ALA A 22 -3.404 -1.986 -7.566 1.00 0.00 N ATOM 276 CA ALA A 22 -4.291 -1.196 -8.410 1.00 0.00 C ATOM 277 C ALA A 22 -5.417 -0.574 -7.592 1.00 0.00 C ATOM 278 O ALA A 22 -6.289 -1.277 -7.083 1.00 0.00 O ATOM 279 CB ALA A 22 -4.861 -2.057 -9.527 1.00 0.00 C ATOM 0 H ALA A 22 -3.452 -2.992 -7.729 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.708 -0.387 -8.851 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.522 -1.454 -10.150 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -4.046 -2.449 -10.136 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.424 -2.885 -9.097 1.00 0.00 H new ATOM 285 N ILE A 23 -5.392 0.750 -7.470 1.00 0.00 N ATOM 286 CA ILE A 23 -6.412 1.467 -6.714 1.00 0.00 C ATOM 287 C ILE A 23 -6.770 2.786 -7.388 1.00 0.00 C ATOM 288 O ILE A 23 -5.988 3.355 -8.151 1.00 0.00 O ATOM 289 CB ILE A 23 -5.948 1.748 -5.272 1.00 0.00 C ATOM 290 CG1 ILE A 23 -4.482 2.186 -5.260 1.00 0.00 C ATOM 291 CG2 ILE A 23 -6.147 0.516 -4.402 1.00 0.00 C ATOM 292 CD1 ILE A 23 -3.986 2.596 -3.892 1.00 0.00 C ATOM 0 H ILE A 23 -4.677 1.347 -7.885 1.00 0.00 H new ATOM 0 HA ILE A 23 -7.294 0.827 -6.685 1.00 0.00 H new ATOM 0 HB ILE A 23 -6.552 2.558 -4.863 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.864 1.369 -5.632 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.355 3.021 -5.949 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.815 0.730 -3.386 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.203 0.247 -4.389 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.566 -0.313 -4.807 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.940 2.894 -3.959 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -4.579 3.434 -3.526 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.081 1.756 -3.204 1.00 0.00 H new ATOM 304 N PRO A 24 -7.981 3.288 -7.101 1.00 0.00 N ATOM 305 CA PRO A 24 -8.469 4.548 -7.668 1.00 0.00 C ATOM 306 C PRO A 24 -7.727 5.760 -7.113 1.00 0.00 C ATOM 307 O PRO A 24 -7.411 5.816 -5.924 1.00 0.00 O ATOM 308 CB PRO A 24 -9.940 4.581 -7.243 1.00 0.00 C ATOM 309 CG PRO A 24 -9.998 3.739 -6.015 1.00 0.00 C ATOM 310 CD PRO A 24 -8.965 2.663 -6.201 1.00 0.00 C ATOM 0 HA PRO A 24 -8.321 4.594 -8.747 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.271 5.600 -7.041 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -10.587 4.185 -8.026 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -9.788 4.332 -5.125 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -10.991 3.308 -5.884 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.514 2.371 -5.253 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.396 1.763 -6.640 1.00 0.00 H new ATOM 318 N LYS A 25 -7.453 6.728 -7.980 1.00 0.00 N ATOM 319 CA LYS A 25 -6.750 7.940 -7.577 1.00 0.00 C ATOM 320 C LYS A 25 -7.443 8.603 -6.391 1.00 0.00 C ATOM 321 O LYS A 25 -6.868 9.463 -5.727 1.00 0.00 O ATOM 322 CB LYS A 25 -6.672 8.922 -8.749 1.00 0.00 C ATOM 323 CG LYS A 25 -6.034 8.332 -9.995 1.00 0.00 C ATOM 324 CD LYS A 25 -4.519 8.296 -9.882 1.00 0.00 C ATOM 325 CE LYS A 25 -3.903 9.646 -10.214 1.00 0.00 C ATOM 326 NZ LYS A 25 -4.008 9.962 -11.666 1.00 0.00 N ATOM 0 H LYS A 25 -7.707 6.697 -8.967 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.740 7.661 -7.276 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.678 9.264 -8.993 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.103 9.799 -8.440 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.412 7.322 -10.155 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.321 8.921 -10.866 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.235 8.004 -8.871 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.121 7.538 -10.556 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.401 10.424 -9.636 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.854 9.650 -9.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.306 10.951 -11.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.083 9.822 -12.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.709 9.334 -12.108 1.00 0.00 H new ATOM 340 N GLU A 26 -8.681 8.194 -6.130 1.00 0.00 N ATOM 341 CA GLU A 26 -9.452 8.748 -5.023 1.00 0.00 C ATOM 342 C GLU A 26 -8.968 8.187 -3.689 1.00 0.00 C ATOM 343 O GLU A 26 -9.064 8.846 -2.654 1.00 0.00 O ATOM 344 CB GLU A 26 -10.941 8.445 -5.207 1.00 0.00 C ATOM 345 CG GLU A 26 -11.367 7.109 -4.623 1.00 0.00 C ATOM 346 CD GLU A 26 -12.532 6.490 -5.371 1.00 0.00 C ATOM 347 OE1 GLU A 26 -12.356 6.142 -6.557 1.00 0.00 O ATOM 348 OE2 GLU A 26 -13.618 6.354 -4.771 1.00 0.00 O ATOM 0 H GLU A 26 -9.171 7.481 -6.670 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.307 9.828 -5.017 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -11.525 9.239 -4.741 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.177 8.459 -6.271 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.521 6.422 -4.643 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.643 7.245 -3.577 1.00 0.00 H new ATOM 355 N HIS A 27 -8.448 6.964 -3.722 1.00 0.00 N ATOM 356 CA HIS A 27 -7.950 6.312 -2.516 1.00 0.00 C ATOM 357 C HIS A 27 -6.463 6.597 -2.321 1.00 0.00 C ATOM 358 O HIS A 27 -5.895 6.288 -1.273 1.00 0.00 O ATOM 359 CB HIS A 27 -8.186 4.803 -2.592 1.00 0.00 C ATOM 360 CG HIS A 27 -9.634 4.424 -2.606 1.00 0.00 C ATOM 361 ND1 HIS A 27 -10.083 3.180 -2.998 1.00 0.00 N ATOM 362 CD2 HIS A 27 -10.740 5.133 -2.273 1.00 0.00 C ATOM 363 CE1 HIS A 27 -11.400 3.141 -2.906 1.00 0.00 C ATOM 364 NE2 HIS A 27 -11.823 4.313 -2.469 1.00 0.00 N ATOM 0 H HIS A 27 -8.361 6.405 -4.571 1.00 0.00 H new ATOM 0 HA HIS A 27 -8.495 6.715 -1.662 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -7.708 4.414 -3.491 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -7.702 4.324 -1.741 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -9.491 2.411 -3.310 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -10.765 6.153 -1.919 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -12.025 2.294 -3.147 1.00 0.00 H new ATOM 372 N HIS A 28 -5.840 7.187 -3.336 1.00 0.00 N ATOM 373 CA HIS A 28 -4.420 7.513 -3.275 1.00 0.00 C ATOM 374 C HIS A 28 -4.148 8.559 -2.197 1.00 0.00 C ATOM 375 O HIS A 28 -3.139 8.493 -1.495 1.00 0.00 O ATOM 376 CB HIS A 28 -3.933 8.024 -4.631 1.00 0.00 C ATOM 377 CG HIS A 28 -3.562 6.930 -5.585 1.00 0.00 C ATOM 378 ND1 HIS A 28 -2.533 7.043 -6.496 1.00 0.00 N ATOM 379 CD2 HIS A 28 -4.088 5.696 -5.765 1.00 0.00 C ATOM 380 CE1 HIS A 28 -2.443 5.927 -7.196 1.00 0.00 C ATOM 381 NE2 HIS A 28 -3.375 5.093 -6.772 1.00 0.00 N ATOM 0 H HIS A 28 -6.296 7.449 -4.210 1.00 0.00 H new ATOM 0 HA HIS A 28 -3.875 6.604 -3.021 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -4.714 8.638 -5.081 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -3.068 8.670 -4.478 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -4.914 5.266 -5.219 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -1.729 5.730 -7.982 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -3.539 4.153 -7.134 1.00 0.00 H new ATOM 389 N ARG A 29 -5.055 9.523 -2.073 1.00 0.00 N ATOM 390 CA ARG A 29 -4.911 10.583 -1.083 1.00 0.00 C ATOM 391 C ARG A 29 -5.178 10.054 0.323 1.00 0.00 C ATOM 392 O ARG A 29 -4.616 10.548 1.301 1.00 0.00 O ATOM 393 CB ARG A 29 -5.869 11.735 -1.396 1.00 0.00 C ATOM 394 CG ARG A 29 -7.335 11.371 -1.223 1.00 0.00 C ATOM 395 CD ARG A 29 -8.221 12.608 -1.244 1.00 0.00 C ATOM 396 NE ARG A 29 -8.607 12.982 -2.601 1.00 0.00 N ATOM 397 CZ ARG A 29 -9.449 12.277 -3.346 1.00 0.00 C ATOM 398 NH1 ARG A 29 -9.992 11.166 -2.868 1.00 0.00 N ATOM 399 NH2 ARG A 29 -9.751 12.683 -4.573 1.00 0.00 N ATOM 0 H ARG A 29 -5.896 9.591 -2.645 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.885 10.949 -1.126 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.634 12.579 -0.747 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.704 12.066 -2.421 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.639 10.691 -2.019 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.471 10.840 -0.281 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -9.116 12.423 -0.651 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.694 13.439 -0.775 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.208 13.832 -2.999 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -9.763 10.851 -1.925 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -10.639 10.626 -3.443 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -9.336 13.538 -4.944 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.398 12.140 -5.145 1.00 0.00 H new ATOM 413 N PHE A 30 -6.038 9.044 0.417 1.00 0.00 N ATOM 414 CA PHE A 30 -6.380 8.449 1.703 1.00 0.00 C ATOM 415 C PHE A 30 -5.189 7.696 2.288 1.00 0.00 C ATOM 416 O PHE A 30 -5.134 7.435 3.490 1.00 0.00 O ATOM 417 CB PHE A 30 -7.571 7.500 1.549 1.00 0.00 C ATOM 418 CG PHE A 30 -8.902 8.182 1.688 1.00 0.00 C ATOM 419 CD1 PHE A 30 -9.186 8.956 2.801 1.00 0.00 C ATOM 420 CD2 PHE A 30 -9.870 8.047 0.706 1.00 0.00 C ATOM 421 CE1 PHE A 30 -10.410 9.584 2.933 1.00 0.00 C ATOM 422 CE2 PHE A 30 -11.095 8.673 0.831 1.00 0.00 C ATOM 423 CZ PHE A 30 -11.366 9.442 1.946 1.00 0.00 C ATOM 0 H PHE A 30 -6.510 8.621 -0.382 1.00 0.00 H new ATOM 0 HA PHE A 30 -6.651 9.254 2.387 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.518 7.019 0.572 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -7.496 6.711 2.297 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -8.442 9.070 3.575 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -9.664 7.445 -0.167 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -10.619 10.185 3.806 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -11.840 8.561 0.057 1.00 0.00 H new ATOM 0 HZ PHE A 30 -12.324 9.931 2.046 1.00 0.00 H new ATOM 433 N VAL A 31 -4.234 7.350 1.429 1.00 0.00 N ATOM 434 CA VAL A 31 -3.044 6.628 1.860 1.00 0.00 C ATOM 435 C VAL A 31 -1.907 7.590 2.187 1.00 0.00 C ATOM 436 O VAL A 31 -1.097 7.330 3.078 1.00 0.00 O ATOM 437 CB VAL A 31 -2.567 5.636 0.781 1.00 0.00 C ATOM 438 CG1 VAL A 31 -1.261 4.979 1.199 1.00 0.00 C ATOM 439 CG2 VAL A 31 -3.638 4.589 0.511 1.00 0.00 C ATOM 0 H VAL A 31 -4.262 7.559 0.431 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.318 6.073 2.758 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.388 6.187 -0.142 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.940 4.282 0.425 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.497 5.744 1.338 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.408 4.439 2.134 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.285 3.896 -0.253 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.850 4.040 1.429 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.547 5.080 0.164 1.00 0.00 H new ATOM 449 N ILE A 32 -1.852 8.702 1.461 1.00 0.00 N ATOM 450 CA ILE A 32 -0.815 9.703 1.676 1.00 0.00 C ATOM 451 C ILE A 32 -1.036 10.451 2.986 1.00 0.00 C ATOM 452 O ILE A 32 -0.096 10.688 3.744 1.00 0.00 O ATOM 453 CB ILE A 32 -0.766 10.720 0.520 1.00 0.00 C ATOM 454 CG1 ILE A 32 -0.433 10.013 -0.796 1.00 0.00 C ATOM 455 CG2 ILE A 32 0.253 11.810 0.815 1.00 0.00 C ATOM 456 CD1 ILE A 32 -0.604 10.893 -2.014 1.00 0.00 C ATOM 0 H ILE A 32 -2.513 8.932 0.719 1.00 0.00 H new ATOM 0 HA ILE A 32 0.134 9.169 1.721 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.747 11.185 0.423 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.596 9.656 -0.757 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.071 9.135 -0.899 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.275 12.520 -0.011 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.025 12.329 1.732 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.240 11.363 0.936 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.351 10.327 -2.910 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.639 11.229 -2.078 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.054 11.758 -1.933 1.00 0.00 H new ATOM 468 N GLY A 33 -2.286 10.818 3.248 1.00 0.00 N ATOM 469 CA GLY A 33 -2.609 11.534 4.469 1.00 0.00 C ATOM 470 C GLY A 33 -3.319 12.846 4.202 1.00 0.00 C ATOM 471 O GLY A 33 -2.980 13.564 3.260 1.00 0.00 O ATOM 0 H GLY A 33 -3.081 10.633 2.637 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.238 10.906 5.099 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.692 11.727 5.026 1.00 0.00 H new ATOM 475 N LYS A 34 -4.308 13.161 5.030 1.00 0.00 N ATOM 476 CA LYS A 34 -5.069 14.396 4.880 1.00 0.00 C ATOM 477 C LYS A 34 -4.163 15.545 4.451 1.00 0.00 C ATOM 478 O LYS A 34 -4.500 16.311 3.549 1.00 0.00 O ATOM 479 CB LYS A 34 -5.773 14.749 6.192 1.00 0.00 C ATOM 480 CG LYS A 34 -6.564 16.044 6.129 1.00 0.00 C ATOM 481 CD LYS A 34 -7.499 16.185 7.319 1.00 0.00 C ATOM 482 CE LYS A 34 -8.090 17.584 7.400 1.00 0.00 C ATOM 483 NZ LYS A 34 -7.133 18.558 7.996 1.00 0.00 N ATOM 0 H LYS A 34 -4.602 12.578 5.813 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.818 14.239 4.104 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.445 13.935 6.464 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.029 14.826 6.985 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.877 16.890 6.103 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.142 16.074 5.205 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.303 15.453 7.240 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.956 15.964 8.238 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.372 17.917 6.401 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.002 17.559 7.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.660 19.356 8.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.580 18.089 8.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.491 18.910 7.258 1.00 0.00 H new ATOM 497 N ASN A 35 -3.010 15.658 5.104 1.00 0.00 N ATOM 498 CA ASN A 35 -2.054 16.714 4.789 1.00 0.00 C ATOM 499 C ASN A 35 -0.796 16.135 4.148 1.00 0.00 C ATOM 500 O ASN A 35 -0.126 16.800 3.360 1.00 0.00 O ATOM 501 CB ASN A 35 -1.686 17.490 6.054 1.00 0.00 C ATOM 502 CG ASN A 35 -2.719 18.543 6.408 1.00 0.00 C ATOM 503 OD1 ASN A 35 -2.571 19.715 6.063 1.00 0.00 O ATOM 504 ND2 ASN A 35 -3.773 18.127 7.101 1.00 0.00 N ATOM 0 H ASN A 35 -2.716 15.032 5.854 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.522 17.394 4.077 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.581 16.794 6.886 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -0.717 17.968 5.914 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -4.501 18.789 7.369 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -3.854 17.145 7.366 1.00 0.00 H new ATOM 511 N GLY A 36 -0.481 14.891 4.495 1.00 0.00 N ATOM 512 CA GLY A 36 0.695 14.243 3.944 1.00 0.00 C ATOM 513 C GLY A 36 1.614 13.700 5.020 1.00 0.00 C ATOM 514 O GLY A 36 2.832 13.863 4.946 1.00 0.00 O ATOM 0 H GLY A 36 -1.019 14.321 5.147 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.384 13.428 3.290 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.243 14.955 3.327 1.00 0.00 H new ATOM 518 N GLU A 37 1.031 13.054 6.025 1.00 0.00 N ATOM 519 CA GLU A 37 1.806 12.488 7.123 1.00 0.00 C ATOM 520 C GLU A 37 1.486 11.008 7.308 1.00 0.00 C ATOM 521 O GLU A 37 2.126 10.317 8.100 1.00 0.00 O ATOM 522 CB GLU A 37 1.525 13.248 8.420 1.00 0.00 C ATOM 523 CG GLU A 37 0.057 13.263 8.811 1.00 0.00 C ATOM 524 CD GLU A 37 -0.151 13.553 10.284 1.00 0.00 C ATOM 525 OE1 GLU A 37 0.351 14.590 10.764 1.00 0.00 O ATOM 526 OE2 GLU A 37 -0.818 12.740 10.960 1.00 0.00 O ATOM 0 H GLU A 37 0.024 12.910 6.101 1.00 0.00 H new ATOM 0 HA GLU A 37 2.863 12.585 6.876 1.00 0.00 H new ATOM 0 HB2 GLU A 37 2.103 12.798 9.227 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.874 14.275 8.312 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.465 14.015 8.219 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.390 12.299 8.568 1.00 0.00 H new ATOM 533 N LYS A 38 0.491 10.527 6.571 1.00 0.00 N ATOM 534 CA LYS A 38 0.084 9.128 6.651 1.00 0.00 C ATOM 535 C LYS A 38 1.084 8.229 5.931 1.00 0.00 C ATOM 536 O LYS A 38 1.526 7.216 6.474 1.00 0.00 O ATOM 537 CB LYS A 38 -1.310 8.946 6.048 1.00 0.00 C ATOM 538 CG LYS A 38 -1.717 7.491 5.886 1.00 0.00 C ATOM 539 CD LYS A 38 -1.940 6.822 7.231 1.00 0.00 C ATOM 540 CE LYS A 38 -2.185 5.328 7.077 1.00 0.00 C ATOM 541 NZ LYS A 38 -3.378 5.047 6.232 1.00 0.00 N ATOM 0 H LYS A 38 -0.050 11.086 5.911 1.00 0.00 H new ATOM 0 HA LYS A 38 0.057 8.842 7.703 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.040 9.450 6.682 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.342 9.434 5.074 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.630 7.431 5.293 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.944 6.955 5.336 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -1.071 6.985 7.868 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -2.793 7.282 7.730 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.307 4.860 6.633 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.323 4.879 8.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -3.990 4.358 6.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.906 5.929 6.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.072 4.658 5.318 1.00 0.00 H new ATOM 555 N LEU A 39 1.436 8.606 4.708 1.00 0.00 N ATOM 556 CA LEU A 39 2.385 7.833 3.913 1.00 0.00 C ATOM 557 C LEU A 39 3.713 7.680 4.648 1.00 0.00 C ATOM 558 O LEU A 39 4.267 6.583 4.725 1.00 0.00 O ATOM 559 CB LEU A 39 2.615 8.507 2.559 1.00 0.00 C ATOM 560 CG LEU A 39 3.982 8.275 1.916 1.00 0.00 C ATOM 561 CD1 LEU A 39 4.085 6.855 1.378 1.00 0.00 C ATOM 562 CD2 LEU A 39 4.229 9.287 0.807 1.00 0.00 C ATOM 0 H LEU A 39 1.079 9.442 4.244 1.00 0.00 H new ATOM 0 HA LEU A 39 1.962 6.841 3.752 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.847 8.159 1.868 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.471 9.581 2.681 1.00 0.00 H new ATOM 0 HG LEU A 39 4.748 8.409 2.679 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.065 6.708 0.924 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.954 6.146 2.195 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.310 6.693 0.629 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.207 9.106 0.361 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.458 9.186 0.044 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.200 10.295 1.221 1.00 0.00 H new ATOM 574 N GLN A 40 4.215 8.785 5.189 1.00 0.00 N ATOM 575 CA GLN A 40 5.477 8.772 5.919 1.00 0.00 C ATOM 576 C GLN A 40 5.497 7.647 6.950 1.00 0.00 C ATOM 577 O GLN A 40 6.335 6.748 6.885 1.00 0.00 O ATOM 578 CB GLN A 40 5.705 10.117 6.610 1.00 0.00 C ATOM 579 CG GLN A 40 5.508 11.313 5.693 1.00 0.00 C ATOM 580 CD GLN A 40 6.228 12.552 6.187 1.00 0.00 C ATOM 581 OE1 GLN A 40 7.521 12.418 6.461 1.00 0.00 O flip ATOM 582 NE2 GLN A 40 5.628 13.620 6.323 1.00 0.00 N flip ATOM 0 H GLN A 40 3.768 9.700 5.136 1.00 0.00 H new ATOM 0 HA GLN A 40 6.281 8.599 5.203 1.00 0.00 H new ATOM 0 HB2 GLN A 40 5.023 10.202 7.456 1.00 0.00 H new ATOM 0 HB3 GLN A 40 6.717 10.142 7.013 1.00 0.00 H new ATOM 0 HG2 GLN A 40 5.866 11.063 4.694 1.00 0.00 H new ATOM 0 HG3 GLN A 40 4.443 11.527 5.605 1.00 0.00 H new ATOM 0 HE21 GLN A 40 4.634 13.679 6.101 1.00 0.00 H new ATOM 0 HE22 GLN A 40 6.125 14.445 6.658 1.00 0.00 H new ATOM 591 N ASP A 41 4.570 7.706 7.900 1.00 0.00 N ATOM 592 CA ASP A 41 4.481 6.692 8.944 1.00 0.00 C ATOM 593 C ASP A 41 4.534 5.290 8.347 1.00 0.00 C ATOM 594 O ASP A 41 5.219 4.407 8.866 1.00 0.00 O ATOM 595 CB ASP A 41 3.193 6.870 9.749 1.00 0.00 C ATOM 596 CG ASP A 41 3.243 6.160 11.087 1.00 0.00 C ATOM 597 OD1 ASP A 41 4.347 6.051 11.660 1.00 0.00 O ATOM 598 OD2 ASP A 41 2.177 5.715 11.562 1.00 0.00 O ATOM 0 H ASP A 41 3.870 8.445 7.969 1.00 0.00 H new ATOM 0 HA ASP A 41 5.336 6.815 9.609 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.014 7.933 9.912 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.351 6.490 9.171 1.00 0.00 H new ATOM 603 N LEU A 42 3.807 5.091 7.253 1.00 0.00 N ATOM 604 CA LEU A 42 3.769 3.794 6.584 1.00 0.00 C ATOM 605 C LEU A 42 5.156 3.399 6.087 1.00 0.00 C ATOM 606 O LEU A 42 5.648 2.313 6.391 1.00 0.00 O ATOM 607 CB LEU A 42 2.785 3.831 5.414 1.00 0.00 C ATOM 608 CG LEU A 42 1.342 3.444 5.737 1.00 0.00 C ATOM 609 CD1 LEU A 42 0.400 3.940 4.651 1.00 0.00 C ATOM 610 CD2 LEU A 42 1.219 1.937 5.905 1.00 0.00 C ATOM 0 H LEU A 42 3.236 5.811 6.810 1.00 0.00 H new ATOM 0 HA LEU A 42 3.436 3.048 7.306 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.785 4.838 4.997 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.153 3.164 4.635 1.00 0.00 H new ATOM 0 HG LEU A 42 1.061 3.918 6.677 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.623 3.655 4.898 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.467 5.026 4.579 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.680 3.495 3.696 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.185 1.680 6.135 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.520 1.442 4.981 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.864 1.608 6.720 1.00 0.00 H new ATOM 622 N GLU A 43 5.780 4.288 5.321 1.00 0.00 N ATOM 623 CA GLU A 43 7.111 4.031 4.782 1.00 0.00 C ATOM 624 C GLU A 43 8.057 3.546 5.878 1.00 0.00 C ATOM 625 O GLU A 43 8.954 2.741 5.627 1.00 0.00 O ATOM 626 CB GLU A 43 7.674 5.294 4.130 1.00 0.00 C ATOM 627 CG GLU A 43 7.329 5.424 2.655 1.00 0.00 C ATOM 628 CD GLU A 43 7.970 6.638 2.012 1.00 0.00 C ATOM 629 OE1 GLU A 43 9.215 6.672 1.918 1.00 0.00 O ATOM 630 OE2 GLU A 43 7.227 7.554 1.600 1.00 0.00 O ATOM 0 H GLU A 43 5.386 5.192 5.060 1.00 0.00 H new ATOM 0 HA GLU A 43 7.025 3.249 4.027 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.295 6.167 4.661 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.758 5.298 4.243 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.652 4.526 2.129 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.247 5.487 2.543 1.00 0.00 H new ATOM 637 N LEU A 44 7.848 4.041 7.093 1.00 0.00 N ATOM 638 CA LEU A 44 8.682 3.659 8.227 1.00 0.00 C ATOM 639 C LEU A 44 8.199 2.349 8.842 1.00 0.00 C ATOM 640 O LEU A 44 8.886 1.331 8.779 1.00 0.00 O ATOM 641 CB LEU A 44 8.676 4.765 9.285 1.00 0.00 C ATOM 642 CG LEU A 44 9.611 5.946 9.026 1.00 0.00 C ATOM 643 CD1 LEU A 44 9.313 7.084 9.990 1.00 0.00 C ATOM 644 CD2 LEU A 44 11.065 5.511 9.146 1.00 0.00 C ATOM 0 H LEU A 44 7.109 4.707 7.318 1.00 0.00 H new ATOM 0 HA LEU A 44 9.700 3.515 7.865 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.659 5.146 9.378 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.939 4.323 10.246 1.00 0.00 H new ATOM 0 HG LEU A 44 9.441 6.303 8.010 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.988 7.916 9.791 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.282 7.413 9.857 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.454 6.739 11.014 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.717 6.364 8.959 1.00 0.00 H new ATOM 0 HD22 LEU A 44 11.249 5.128 10.150 1.00 0.00 H new ATOM 0 HD23 LEU A 44 11.272 4.729 8.416 1.00 0.00 H new ATOM 656 N LYS A 45 7.010 2.383 9.435 1.00 0.00 N ATOM 657 CA LYS A 45 6.431 1.199 10.058 1.00 0.00 C ATOM 658 C LYS A 45 6.691 -0.044 9.211 1.00 0.00 C ATOM 659 O LYS A 45 6.924 -1.131 9.741 1.00 0.00 O ATOM 660 CB LYS A 45 4.926 1.387 10.258 1.00 0.00 C ATOM 661 CG LYS A 45 4.304 0.364 11.193 1.00 0.00 C ATOM 662 CD LYS A 45 2.807 0.237 10.965 1.00 0.00 C ATOM 663 CE LYS A 45 2.041 1.345 11.671 1.00 0.00 C ATOM 664 NZ LYS A 45 0.578 1.266 11.401 1.00 0.00 N ATOM 0 H LYS A 45 6.428 3.219 9.497 1.00 0.00 H new ATOM 0 HA LYS A 45 6.906 1.061 11.029 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.742 2.386 10.653 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.429 1.331 9.289 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.779 -0.605 11.041 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.492 0.653 12.227 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.596 0.271 9.896 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.463 -0.732 11.327 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.216 1.281 12.745 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.419 2.314 11.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.091 2.038 11.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.408 1.353 10.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.212 0.352 11.736 1.00 0.00 H new ATOM 678 N THR A 46 6.651 0.125 7.893 1.00 0.00 N ATOM 679 CA THR A 46 6.883 -0.982 6.974 1.00 0.00 C ATOM 680 C THR A 46 8.302 -0.949 6.420 1.00 0.00 C ATOM 681 O THR A 46 8.791 -1.940 5.878 1.00 0.00 O ATOM 682 CB THR A 46 5.885 -0.955 5.801 1.00 0.00 C ATOM 683 OG1 THR A 46 6.182 0.142 4.930 1.00 0.00 O ATOM 684 CG2 THR A 46 4.457 -0.834 6.308 1.00 0.00 C ATOM 0 H THR A 46 6.460 1.018 7.438 1.00 0.00 H new ATOM 0 HA THR A 46 6.740 -1.901 7.543 1.00 0.00 H new ATOM 0 HB THR A 46 5.980 -1.891 5.251 1.00 0.00 H new ATOM 0 HG1 THR A 46 6.195 0.975 5.446 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.771 -0.817 5.461 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.224 -1.686 6.947 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.351 0.088 6.880 1.00 0.00 H new ATOM 692 N ALA A 47 8.961 0.197 6.560 1.00 0.00 N ATOM 693 CA ALA A 47 10.326 0.358 6.076 1.00 0.00 C ATOM 694 C ALA A 47 10.417 0.066 4.582 1.00 0.00 C ATOM 695 O ALA A 47 11.412 -0.478 4.104 1.00 0.00 O ATOM 696 CB ALA A 47 11.271 -0.548 6.850 1.00 0.00 C ATOM 0 H ALA A 47 8.571 1.028 7.005 1.00 0.00 H new ATOM 0 HA ALA A 47 10.621 1.395 6.236 1.00 0.00 H new ATOM 0 HB1 ALA A 47 12.287 -0.417 6.478 1.00 0.00 H new ATOM 0 HB2 ALA A 47 11.236 -0.290 7.909 1.00 0.00 H new ATOM 0 HB3 ALA A 47 10.968 -1.587 6.719 1.00 0.00 H new ATOM 702 N THR A 48 9.371 0.432 3.848 1.00 0.00 N ATOM 703 CA THR A 48 9.331 0.209 2.408 1.00 0.00 C ATOM 704 C THR A 48 9.433 1.524 1.644 1.00 0.00 C ATOM 705 O THR A 48 9.459 2.601 2.241 1.00 0.00 O ATOM 706 CB THR A 48 8.039 -0.517 1.987 1.00 0.00 C ATOM 707 OG1 THR A 48 6.899 0.296 2.289 1.00 0.00 O ATOM 708 CG2 THR A 48 7.914 -1.856 2.698 1.00 0.00 C ATOM 0 H THR A 48 8.539 0.885 4.228 1.00 0.00 H new ATOM 0 HA THR A 48 10.188 -0.418 2.162 1.00 0.00 H new ATOM 0 HB THR A 48 8.084 -0.696 0.913 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.698 0.234 3.246 1.00 0.00 H new ATOM 0 HG21 THR A 48 6.994 -2.350 2.385 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.768 -2.484 2.444 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.890 -1.695 3.776 1.00 0.00 H new ATOM 716 N LYS A 49 9.490 1.431 0.320 1.00 0.00 N ATOM 717 CA LYS A 49 9.587 2.614 -0.528 1.00 0.00 C ATOM 718 C LYS A 49 8.321 2.793 -1.359 1.00 0.00 C ATOM 719 O LYS A 49 8.303 2.489 -2.552 1.00 0.00 O ATOM 720 CB LYS A 49 10.804 2.507 -1.449 1.00 0.00 C ATOM 721 CG LYS A 49 10.944 3.676 -2.409 1.00 0.00 C ATOM 722 CD LYS A 49 11.504 4.906 -1.714 1.00 0.00 C ATOM 723 CE LYS A 49 13.007 4.793 -1.509 1.00 0.00 C ATOM 724 NZ LYS A 49 13.756 4.990 -2.781 1.00 0.00 N ATOM 0 H LYS A 49 9.471 0.548 -0.190 1.00 0.00 H new ATOM 0 HA LYS A 49 9.703 3.485 0.117 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.705 2.438 -0.840 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.735 1.583 -2.023 1.00 0.00 H new ATOM 0 HG2 LYS A 49 11.598 3.394 -3.234 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.971 3.912 -2.840 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.282 5.793 -2.307 1.00 0.00 H new ATOM 0 HD3 LYS A 49 11.013 5.036 -0.750 1.00 0.00 H new ATOM 0 HE2 LYS A 49 13.331 5.534 -0.778 1.00 0.00 H new ATOM 0 HE3 LYS A 49 13.245 3.813 -1.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 14.770 5.092 -2.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 13.610 4.168 -3.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 13.412 5.848 -3.257 1.00 0.00 H new ATOM 738 N ILE A 50 7.266 3.289 -0.722 1.00 0.00 N ATOM 739 CA ILE A 50 5.997 3.511 -1.404 1.00 0.00 C ATOM 740 C ILE A 50 6.122 4.609 -2.454 1.00 0.00 C ATOM 741 O ILE A 50 6.568 5.716 -2.157 1.00 0.00 O ATOM 742 CB ILE A 50 4.882 3.891 -0.411 1.00 0.00 C ATOM 743 CG1 ILE A 50 4.726 2.804 0.655 1.00 0.00 C ATOM 744 CG2 ILE A 50 3.569 4.111 -1.146 1.00 0.00 C ATOM 745 CD1 ILE A 50 3.857 3.221 1.820 1.00 0.00 C ATOM 0 H ILE A 50 7.265 3.545 0.265 1.00 0.00 H new ATOM 0 HA ILE A 50 5.733 2.573 -1.892 1.00 0.00 H new ATOM 0 HB ILE A 50 5.159 4.822 0.083 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.299 1.913 0.194 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.712 2.528 1.028 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.792 4.379 -0.430 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.688 4.917 -1.870 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.285 3.196 -1.665 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.791 2.402 2.536 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.294 4.093 2.306 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.859 3.469 1.459 1.00 0.00 H new ATOM 757 N GLN A 51 5.724 4.293 -3.683 1.00 0.00 N ATOM 758 CA GLN A 51 5.791 5.254 -4.778 1.00 0.00 C ATOM 759 C GLN A 51 4.422 5.443 -5.420 1.00 0.00 C ATOM 760 O GLN A 51 3.869 4.515 -6.012 1.00 0.00 O ATOM 761 CB GLN A 51 6.802 4.791 -5.829 1.00 0.00 C ATOM 762 CG GLN A 51 7.475 5.935 -6.570 1.00 0.00 C ATOM 763 CD GLN A 51 8.541 6.621 -5.740 1.00 0.00 C ATOM 764 OE1 GLN A 51 8.234 7.408 -4.843 1.00 0.00 O ATOM 765 NE2 GLN A 51 9.801 6.328 -6.034 1.00 0.00 N ATOM 0 H GLN A 51 5.352 3.380 -3.945 1.00 0.00 H new ATOM 0 HA GLN A 51 6.115 6.211 -4.370 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.566 4.184 -5.344 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.296 4.149 -6.550 1.00 0.00 H new ATOM 0 HG2 GLN A 51 7.924 5.554 -7.488 1.00 0.00 H new ATOM 0 HG3 GLN A 51 6.722 6.666 -6.863 1.00 0.00 H new ATOM 0 HE21 GLN A 51 10.010 5.670 -6.785 1.00 0.00 H new ATOM 0 HE22 GLN A 51 10.561 6.760 -5.509 1.00 0.00 H new ATOM 774 N ILE A 52 3.878 6.650 -5.299 1.00 0.00 N ATOM 775 CA ILE A 52 2.573 6.960 -5.870 1.00 0.00 C ATOM 776 C ILE A 52 2.714 7.753 -7.164 1.00 0.00 C ATOM 777 O ILE A 52 3.532 8.666 -7.277 1.00 0.00 O ATOM 778 CB ILE A 52 1.704 7.760 -4.882 1.00 0.00 C ATOM 779 CG1 ILE A 52 1.517 6.976 -3.581 1.00 0.00 C ATOM 780 CG2 ILE A 52 0.356 8.087 -5.508 1.00 0.00 C ATOM 781 CD1 ILE A 52 1.161 7.846 -2.397 1.00 0.00 C ATOM 0 H ILE A 52 4.321 7.429 -4.811 1.00 0.00 H new ATOM 0 HA ILE A 52 2.086 6.008 -6.082 1.00 0.00 H new ATOM 0 HB ILE A 52 2.212 8.696 -4.650 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.733 6.233 -3.724 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.435 6.432 -3.359 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.247 8.653 -4.798 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.508 8.681 -6.409 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.159 7.162 -5.766 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.044 7.223 -1.510 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.955 8.573 -2.228 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.227 8.370 -2.598 1.00 0.00 H new ATOM 793 N PRO A 53 1.895 7.401 -8.166 1.00 0.00 N ATOM 794 CA PRO A 53 1.907 8.069 -9.471 1.00 0.00 C ATOM 795 C PRO A 53 1.364 9.493 -9.398 1.00 0.00 C ATOM 796 O PRO A 53 0.577 9.822 -8.511 1.00 0.00 O ATOM 797 CB PRO A 53 0.991 7.191 -10.327 1.00 0.00 C ATOM 798 CG PRO A 53 0.082 6.526 -9.351 1.00 0.00 C ATOM 799 CD PRO A 53 0.894 6.322 -8.102 1.00 0.00 C ATOM 0 HA PRO A 53 2.917 8.170 -9.868 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.431 7.788 -11.047 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.564 6.459 -10.897 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -0.794 7.143 -9.151 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -0.280 5.575 -9.741 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.278 6.398 -7.206 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.364 5.339 -8.084 1.00 0.00 H new ATOM 807 N ARG A 54 1.789 10.331 -10.338 1.00 0.00 N ATOM 808 CA ARG A 54 1.345 11.719 -10.378 1.00 0.00 C ATOM 809 C ARG A 54 -0.140 11.807 -10.717 1.00 0.00 C ATOM 810 O ARG A 54 -0.728 10.884 -11.282 1.00 0.00 O ATOM 811 CB ARG A 54 2.161 12.507 -11.406 1.00 0.00 C ATOM 812 CG ARG A 54 3.422 13.133 -10.833 1.00 0.00 C ATOM 813 CD ARG A 54 4.053 14.110 -11.812 1.00 0.00 C ATOM 814 NE ARG A 54 3.364 15.398 -11.820 1.00 0.00 N ATOM 815 CZ ARG A 54 3.731 16.422 -12.583 1.00 0.00 C ATOM 816 NH1 ARG A 54 4.774 16.309 -13.395 1.00 0.00 N ATOM 817 NH2 ARG A 54 3.054 17.563 -12.535 1.00 0.00 N ATOM 0 H ARG A 54 2.439 10.074 -11.081 1.00 0.00 H new ATOM 0 HA ARG A 54 1.500 12.152 -9.390 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.435 11.843 -12.226 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.535 13.293 -11.829 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.183 13.651 -9.904 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.139 12.350 -10.586 1.00 0.00 H new ATOM 0 HD2 ARG A 54 5.100 14.261 -11.550 1.00 0.00 H new ATOM 0 HD3 ARG A 54 4.034 13.682 -12.814 1.00 0.00 H new ATOM 0 HE ARG A 54 2.558 15.518 -11.207 1.00 0.00 H new ATOM 0 HH11 ARG A 54 5.297 15.434 -13.435 1.00 0.00 H new ATOM 0 HH12 ARG A 54 5.053 17.097 -13.979 1.00 0.00 H new ATOM 0 HH21 ARG A 54 2.251 17.654 -11.912 1.00 0.00 H new ATOM 0 HH22 ARG A 54 3.336 18.349 -13.121 1.00 0.00 H new ATOM 831 N PRO A 55 -0.762 12.940 -10.363 1.00 0.00 N ATOM 832 CA PRO A 55 -2.186 13.175 -10.619 1.00 0.00 C ATOM 833 C PRO A 55 -2.486 13.358 -12.103 1.00 0.00 C ATOM 834 O PRO A 55 -3.630 13.217 -12.538 1.00 0.00 O ATOM 835 CB PRO A 55 -2.477 14.467 -9.852 1.00 0.00 C ATOM 836 CG PRO A 55 -1.163 15.165 -9.773 1.00 0.00 C ATOM 837 CD PRO A 55 -0.123 14.082 -9.686 1.00 0.00 C ATOM 0 HA PRO A 55 -2.800 12.330 -10.307 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -3.218 15.076 -10.369 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.874 14.257 -8.859 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -1.001 15.792 -10.650 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -1.120 15.818 -8.902 1.00 0.00 H new ATOM 0 HD2 PRO A 55 0.804 14.374 -10.180 1.00 0.00 H new ATOM 0 HD3 PRO A 55 0.127 13.847 -8.651 1.00 0.00 H new ATOM 845 N ASP A 56 -1.452 13.671 -12.877 1.00 0.00 N ATOM 846 CA ASP A 56 -1.604 13.873 -14.313 1.00 0.00 C ATOM 847 C ASP A 56 -1.399 12.564 -15.069 1.00 0.00 C ATOM 848 O ASP A 56 -1.935 12.375 -16.161 1.00 0.00 O ATOM 849 CB ASP A 56 -0.613 14.925 -14.810 1.00 0.00 C ATOM 850 CG ASP A 56 -1.057 16.338 -14.485 1.00 0.00 C ATOM 851 OD1 ASP A 56 -1.856 16.506 -13.540 1.00 0.00 O ATOM 852 OD2 ASP A 56 -0.606 17.276 -15.176 1.00 0.00 O ATOM 0 H ASP A 56 -0.499 13.790 -12.533 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.618 14.226 -14.501 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.363 14.742 -14.361 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.491 14.824 -15.889 1.00 0.00 H new ATOM 857 N ASP A 57 -0.618 11.664 -14.482 1.00 0.00 N ATOM 858 CA ASP A 57 -0.340 10.372 -15.101 1.00 0.00 C ATOM 859 C ASP A 57 -1.526 9.427 -14.939 1.00 0.00 C ATOM 860 O ASP A 57 -2.184 9.389 -13.899 1.00 0.00 O ATOM 861 CB ASP A 57 0.914 9.748 -14.486 1.00 0.00 C ATOM 862 CG ASP A 57 1.659 8.863 -15.465 1.00 0.00 C ATOM 863 OD1 ASP A 57 2.247 9.403 -16.424 1.00 0.00 O ATOM 864 OD2 ASP A 57 1.652 7.629 -15.273 1.00 0.00 O ATOM 0 H ASP A 57 -0.166 11.805 -13.579 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.171 10.534 -16.165 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.578 10.540 -14.139 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.633 9.161 -13.611 1.00 0.00 H new ATOM 869 N PRO A 58 -1.808 8.646 -15.992 1.00 0.00 N ATOM 870 CA PRO A 58 -2.916 7.687 -15.993 1.00 0.00 C ATOM 871 C PRO A 58 -2.660 6.506 -15.061 1.00 0.00 C ATOM 872 O PRO A 58 -3.493 5.607 -14.940 1.00 0.00 O ATOM 873 CB PRO A 58 -2.977 7.216 -17.448 1.00 0.00 C ATOM 874 CG PRO A 58 -1.598 7.423 -17.972 1.00 0.00 C ATOM 875 CD PRO A 58 -1.065 8.639 -17.265 1.00 0.00 C ATOM 0 HA PRO A 58 -3.844 8.135 -15.637 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -3.272 6.169 -17.513 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -3.708 7.789 -18.019 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -0.972 6.552 -17.777 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -1.609 7.573 -19.052 1.00 0.00 H new ATOM 0 HD2 PRO A 58 0.011 8.570 -17.102 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -1.243 9.548 -17.839 1.00 0.00 H new ATOM 883 N SER A 59 -1.505 6.515 -14.405 1.00 0.00 N ATOM 884 CA SER A 59 -1.139 5.443 -13.486 1.00 0.00 C ATOM 885 C SER A 59 -1.804 5.642 -12.127 1.00 0.00 C ATOM 886 O SER A 59 -1.628 6.676 -11.484 1.00 0.00 O ATOM 887 CB SER A 59 0.381 5.383 -13.320 1.00 0.00 C ATOM 888 OG SER A 59 0.984 4.690 -14.399 1.00 0.00 O ATOM 0 H SER A 59 -0.806 7.253 -14.492 1.00 0.00 H new ATOM 0 HA SER A 59 -1.489 4.500 -13.907 1.00 0.00 H new ATOM 0 HB2 SER A 59 0.784 6.394 -13.262 1.00 0.00 H new ATOM 0 HB3 SER A 59 0.628 4.887 -12.381 1.00 0.00 H new ATOM 0 HG SER A 59 1.369 5.335 -15.028 1.00 0.00 H new ATOM 894 N ASN A 60 -2.567 4.643 -11.697 1.00 0.00 N ATOM 895 CA ASN A 60 -3.259 4.708 -10.415 1.00 0.00 C ATOM 896 C ASN A 60 -2.900 3.508 -9.542 1.00 0.00 C ATOM 897 O ASN A 60 -3.639 3.152 -8.625 1.00 0.00 O ATOM 898 CB ASN A 60 -4.773 4.759 -10.631 1.00 0.00 C ATOM 899 CG ASN A 60 -5.294 3.541 -11.368 1.00 0.00 C ATOM 900 OD1 ASN A 60 -4.820 3.209 -12.455 1.00 0.00 O ATOM 901 ND2 ASN A 60 -6.276 2.868 -10.779 1.00 0.00 N ATOM 0 H ASN A 60 -2.722 3.779 -12.217 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.940 5.616 -9.904 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.272 4.837 -9.665 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.027 5.657 -11.194 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.668 2.040 -11.228 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.638 3.179 -9.878 1.00 0.00 H new ATOM 908 N GLN A 61 -1.759 2.892 -9.834 1.00 0.00 N ATOM 909 CA GLN A 61 -1.302 1.733 -9.076 1.00 0.00 C ATOM 910 C GLN A 61 -0.094 2.088 -8.215 1.00 0.00 C ATOM 911 O GLN A 61 0.940 2.520 -8.725 1.00 0.00 O ATOM 912 CB GLN A 61 -0.947 0.585 -10.022 1.00 0.00 C ATOM 913 CG GLN A 61 -0.063 1.006 -11.186 1.00 0.00 C ATOM 914 CD GLN A 61 0.714 -0.153 -11.778 1.00 0.00 C ATOM 915 OE1 GLN A 61 1.946 -0.161 -11.766 1.00 0.00 O ATOM 916 NE2 GLN A 61 -0.003 -1.141 -12.301 1.00 0.00 N ATOM 0 H GLN A 61 -1.135 3.176 -10.589 1.00 0.00 H new ATOM 0 HA GLN A 61 -2.114 1.417 -8.421 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.441 -0.197 -9.457 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -1.867 0.151 -10.414 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -0.681 1.458 -11.962 1.00 0.00 H new ATOM 0 HG3 GLN A 61 0.635 1.772 -10.848 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -1.022 -1.093 -12.290 1.00 0.00 H new ATOM 0 HE22 GLN A 61 0.465 -1.948 -12.714 1.00 0.00 H new ATOM 925 N ILE A 62 -0.233 1.905 -6.906 1.00 0.00 N ATOM 926 CA ILE A 62 0.846 2.205 -5.974 1.00 0.00 C ATOM 927 C ILE A 62 1.948 1.153 -6.050 1.00 0.00 C ATOM 928 O ILE A 62 1.688 -0.012 -6.351 1.00 0.00 O ATOM 929 CB ILE A 62 0.332 2.290 -4.524 1.00 0.00 C ATOM 930 CG1 ILE A 62 -0.434 3.597 -4.308 1.00 0.00 C ATOM 931 CG2 ILE A 62 1.490 2.178 -3.544 1.00 0.00 C ATOM 932 CD1 ILE A 62 -1.121 3.678 -2.963 1.00 0.00 C ATOM 0 H ILE A 62 -1.083 1.550 -6.467 1.00 0.00 H new ATOM 0 HA ILE A 62 1.252 3.174 -6.264 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.349 1.458 -4.345 1.00 0.00 H new ATOM 0 HG12 ILE A 62 0.257 4.434 -4.405 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.180 3.706 -5.095 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.111 2.240 -2.524 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.996 1.223 -3.686 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.195 2.991 -3.719 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -1.644 4.630 -2.878 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.837 2.861 -2.870 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.378 3.601 -2.170 1.00 0.00 H new ATOM 944 N LYS A 63 3.178 1.571 -5.774 1.00 0.00 N ATOM 945 CA LYS A 63 4.320 0.666 -5.807 1.00 0.00 C ATOM 946 C LYS A 63 4.924 0.500 -4.416 1.00 0.00 C ATOM 947 O LYS A 63 5.086 1.474 -3.680 1.00 0.00 O ATOM 948 CB LYS A 63 5.382 1.186 -6.777 1.00 0.00 C ATOM 949 CG LYS A 63 6.627 0.319 -6.839 1.00 0.00 C ATOM 950 CD LYS A 63 7.416 0.565 -8.114 1.00 0.00 C ATOM 951 CE LYS A 63 8.896 0.269 -7.920 1.00 0.00 C ATOM 952 NZ LYS A 63 9.640 1.463 -7.432 1.00 0.00 N ATOM 0 H LYS A 63 3.410 2.532 -5.525 1.00 0.00 H new ATOM 0 HA LYS A 63 3.970 -0.307 -6.150 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.948 1.255 -7.774 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.667 2.196 -6.483 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.258 0.525 -5.974 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.343 -0.732 -6.783 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.021 -0.061 -8.914 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.289 1.601 -8.427 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.013 -0.548 -7.208 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.326 -0.067 -8.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 10.644 1.221 -7.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.550 2.235 -8.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 9.246 1.768 -6.519 1.00 0.00 H new ATOM 966 N ILE A 64 5.257 -0.737 -4.064 1.00 0.00 N ATOM 967 CA ILE A 64 5.846 -1.028 -2.763 1.00 0.00 C ATOM 968 C ILE A 64 7.088 -1.902 -2.904 1.00 0.00 C ATOM 969 O ILE A 64 7.006 -3.051 -3.338 1.00 0.00 O ATOM 970 CB ILE A 64 4.840 -1.732 -1.834 1.00 0.00 C ATOM 971 CG1 ILE A 64 3.820 -2.523 -2.656 1.00 0.00 C ATOM 972 CG2 ILE A 64 4.138 -0.715 -0.945 1.00 0.00 C ATOM 973 CD1 ILE A 64 2.889 -3.367 -1.815 1.00 0.00 C ATOM 0 H ILE A 64 5.129 -1.554 -4.661 1.00 0.00 H new ATOM 0 HA ILE A 64 6.126 -0.071 -2.323 1.00 0.00 H new ATOM 0 HB ILE A 64 5.384 -2.429 -1.196 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.228 -1.828 -3.252 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.351 -3.169 -3.355 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.430 -1.228 -0.294 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.876 -0.192 -0.337 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.604 0.004 -1.566 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.194 -3.899 -2.464 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.471 -4.087 -1.239 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.330 -2.724 -1.135 1.00 0.00 H new ATOM 985 N THR A 65 8.239 -1.350 -2.535 1.00 0.00 N ATOM 986 CA THR A 65 9.499 -2.079 -2.619 1.00 0.00 C ATOM 987 C THR A 65 10.131 -2.244 -1.242 1.00 0.00 C ATOM 988 O THR A 65 10.222 -1.289 -0.471 1.00 0.00 O ATOM 989 CB THR A 65 10.498 -1.367 -3.549 1.00 0.00 C ATOM 990 OG1 THR A 65 9.839 -0.950 -4.751 1.00 0.00 O ATOM 991 CG2 THR A 65 11.662 -2.282 -3.895 1.00 0.00 C ATOM 0 H THR A 65 8.325 -0.400 -2.175 1.00 0.00 H new ATOM 0 HA THR A 65 9.269 -3.062 -3.030 1.00 0.00 H new ATOM 0 HB THR A 65 10.886 -0.493 -3.026 1.00 0.00 H new ATOM 0 HG1 THR A 65 10.481 -0.497 -5.336 1.00 0.00 H new ATOM 0 HG21 THR A 65 12.354 -1.757 -4.553 1.00 0.00 H new ATOM 0 HG22 THR A 65 12.180 -2.573 -2.981 1.00 0.00 H new ATOM 0 HG23 THR A 65 11.287 -3.173 -4.399 1.00 0.00 H new ATOM 999 N GLY A 66 10.570 -3.462 -0.940 1.00 0.00 N ATOM 1000 CA GLY A 66 11.190 -3.730 0.345 1.00 0.00 C ATOM 1001 C GLY A 66 11.312 -5.213 0.633 1.00 0.00 C ATOM 1002 O GLY A 66 11.513 -6.016 -0.279 1.00 0.00 O ATOM 0 H GLY A 66 10.507 -4.268 -1.562 1.00 0.00 H new ATOM 0 HA2 GLY A 66 12.181 -3.276 0.368 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.604 -3.257 1.133 1.00 0.00 H new ATOM 1006 N THR A 67 11.190 -5.580 1.905 1.00 0.00 N ATOM 1007 CA THR A 67 11.290 -6.976 2.311 1.00 0.00 C ATOM 1008 C THR A 67 9.959 -7.697 2.131 1.00 0.00 C ATOM 1009 O THR A 67 8.915 -7.065 1.970 1.00 0.00 O ATOM 1010 CB THR A 67 11.737 -7.103 3.779 1.00 0.00 C ATOM 1011 OG1 THR A 67 10.724 -6.581 4.646 1.00 0.00 O ATOM 1012 CG2 THR A 67 13.043 -6.361 4.014 1.00 0.00 C ATOM 0 H THR A 67 11.022 -4.929 2.672 1.00 0.00 H new ATOM 0 HA THR A 67 12.040 -7.439 1.670 1.00 0.00 H new ATOM 0 HB THR A 67 11.894 -8.159 3.997 1.00 0.00 H new ATOM 0 HG1 THR A 67 11.015 -6.667 5.578 1.00 0.00 H new ATOM 0 HG21 THR A 67 13.338 -6.465 5.058 1.00 0.00 H new ATOM 0 HG22 THR A 67 13.820 -6.780 3.374 1.00 0.00 H new ATOM 0 HG23 THR A 67 12.909 -5.305 3.779 1.00 0.00 H new ATOM 1020 N LYS A 68 10.003 -9.025 2.161 1.00 0.00 N ATOM 1021 CA LYS A 68 8.800 -9.834 2.004 1.00 0.00 C ATOM 1022 C LYS A 68 7.801 -9.545 3.119 1.00 0.00 C ATOM 1023 O LYS A 68 6.591 -9.652 2.922 1.00 0.00 O ATOM 1024 CB LYS A 68 9.159 -11.322 1.998 1.00 0.00 C ATOM 1025 CG LYS A 68 9.413 -11.881 0.609 1.00 0.00 C ATOM 1026 CD LYS A 68 10.742 -11.403 0.051 1.00 0.00 C ATOM 1027 CE LYS A 68 10.875 -11.728 -1.430 1.00 0.00 C ATOM 1028 NZ LYS A 68 12.034 -11.029 -2.050 1.00 0.00 N ATOM 0 H LYS A 68 10.859 -9.564 2.293 1.00 0.00 H new ATOM 0 HA LYS A 68 8.339 -9.574 1.051 1.00 0.00 H new ATOM 0 HB2 LYS A 68 10.048 -11.475 2.610 1.00 0.00 H new ATOM 0 HB3 LYS A 68 8.350 -11.884 2.464 1.00 0.00 H new ATOM 0 HG2 LYS A 68 9.404 -12.970 0.647 1.00 0.00 H new ATOM 0 HG3 LYS A 68 8.607 -11.578 -0.059 1.00 0.00 H new ATOM 0 HD2 LYS A 68 10.833 -10.327 0.198 1.00 0.00 H new ATOM 0 HD3 LYS A 68 11.558 -11.870 0.602 1.00 0.00 H new ATOM 0 HE2 LYS A 68 10.990 -12.804 -1.556 1.00 0.00 H new ATOM 0 HE3 LYS A 68 9.959 -11.442 -1.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 12.090 -11.277 -3.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 11.912 -10.001 -1.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 12.911 -11.321 -1.573 1.00 0.00 H new ATOM 1042 N GLU A 69 8.315 -9.178 4.288 1.00 0.00 N ATOM 1043 CA GLU A 69 7.465 -8.872 5.433 1.00 0.00 C ATOM 1044 C GLU A 69 7.033 -7.409 5.416 1.00 0.00 C ATOM 1045 O GLU A 69 5.878 -7.089 5.689 1.00 0.00 O ATOM 1046 CB GLU A 69 8.201 -9.184 6.738 1.00 0.00 C ATOM 1047 CG GLU A 69 8.336 -10.669 7.022 1.00 0.00 C ATOM 1048 CD GLU A 69 9.575 -11.274 6.390 1.00 0.00 C ATOM 1049 OE1 GLU A 69 10.635 -11.282 7.050 1.00 0.00 O ATOM 1050 OE2 GLU A 69 9.484 -11.740 5.234 1.00 0.00 O ATOM 0 H GLU A 69 9.315 -9.085 4.468 1.00 0.00 H new ATOM 0 HA GLU A 69 6.573 -9.495 5.368 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.195 -8.739 6.700 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.672 -8.711 7.565 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.368 -10.827 8.100 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.453 -11.188 6.650 1.00 0.00 H new ATOM 1057 N GLY A 70 7.973 -6.524 5.095 1.00 0.00 N ATOM 1058 CA GLY A 70 7.672 -5.106 5.049 1.00 0.00 C ATOM 1059 C GLY A 70 6.607 -4.772 4.023 1.00 0.00 C ATOM 1060 O GLY A 70 5.579 -4.181 4.355 1.00 0.00 O ATOM 0 H GLY A 70 8.937 -6.765 4.866 1.00 0.00 H new ATOM 0 HA2 GLY A 70 7.340 -4.776 6.033 1.00 0.00 H new ATOM 0 HA3 GLY A 70 8.582 -4.552 4.817 1.00 0.00 H new ATOM 1064 N ILE A 71 6.854 -5.149 2.773 1.00 0.00 N ATOM 1065 CA ILE A 71 5.908 -4.887 1.695 1.00 0.00 C ATOM 1066 C ILE A 71 4.514 -5.389 2.053 1.00 0.00 C ATOM 1067 O ILE A 71 3.518 -4.707 1.815 1.00 0.00 O ATOM 1068 CB ILE A 71 6.358 -5.545 0.379 1.00 0.00 C ATOM 1069 CG1 ILE A 71 7.743 -5.037 -0.025 1.00 0.00 C ATOM 1070 CG2 ILE A 71 5.345 -5.272 -0.724 1.00 0.00 C ATOM 1071 CD1 ILE A 71 8.326 -5.756 -1.221 1.00 0.00 C ATOM 0 H ILE A 71 7.701 -5.637 2.482 1.00 0.00 H new ATOM 0 HA ILE A 71 5.877 -3.806 1.558 1.00 0.00 H new ATOM 0 HB ILE A 71 6.418 -6.623 0.532 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.680 -3.972 -0.247 1.00 0.00 H new ATOM 0 HG13 ILE A 71 8.422 -5.146 0.821 1.00 0.00 H new ATOM 0 HG21 ILE A 71 5.678 -5.744 -1.648 1.00 0.00 H new ATOM 0 HG22 ILE A 71 4.376 -5.680 -0.437 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.255 -4.197 -0.878 1.00 0.00 H new ATOM 0 HD11 ILE A 71 9.309 -5.343 -1.450 1.00 0.00 H new ATOM 0 HD12 ILE A 71 8.422 -6.818 -0.996 1.00 0.00 H new ATOM 0 HD13 ILE A 71 7.668 -5.625 -2.080 1.00 0.00 H new ATOM 1083 N GLU A 72 4.451 -6.586 2.626 1.00 0.00 N ATOM 1084 CA GLU A 72 3.178 -7.180 3.017 1.00 0.00 C ATOM 1085 C GLU A 72 2.360 -6.206 3.862 1.00 0.00 C ATOM 1086 O GLU A 72 1.245 -5.834 3.496 1.00 0.00 O ATOM 1087 CB GLU A 72 3.411 -8.475 3.798 1.00 0.00 C ATOM 1088 CG GLU A 72 3.579 -9.697 2.911 1.00 0.00 C ATOM 1089 CD GLU A 72 3.889 -10.954 3.701 1.00 0.00 C ATOM 1090 OE1 GLU A 72 5.082 -11.222 3.948 1.00 0.00 O ATOM 1091 OE2 GLU A 72 2.935 -11.670 4.073 1.00 0.00 O ATOM 0 H GLU A 72 5.266 -7.164 2.830 1.00 0.00 H new ATOM 0 HA GLU A 72 2.619 -7.407 2.109 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.300 -8.361 4.418 1.00 0.00 H new ATOM 0 HB3 GLU A 72 2.571 -8.639 4.473 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.667 -9.851 2.334 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.381 -9.515 2.196 1.00 0.00 H new ATOM 1098 N LYS A 73 2.922 -5.797 4.994 1.00 0.00 N ATOM 1099 CA LYS A 73 2.248 -4.866 5.891 1.00 0.00 C ATOM 1100 C LYS A 73 1.640 -3.704 5.113 1.00 0.00 C ATOM 1101 O LYS A 73 0.440 -3.446 5.202 1.00 0.00 O ATOM 1102 CB LYS A 73 3.229 -4.334 6.938 1.00 0.00 C ATOM 1103 CG LYS A 73 3.409 -5.261 8.129 1.00 0.00 C ATOM 1104 CD LYS A 73 4.519 -6.269 7.888 1.00 0.00 C ATOM 1105 CE LYS A 73 4.836 -7.060 9.148 1.00 0.00 C ATOM 1106 NZ LYS A 73 3.762 -8.039 9.473 1.00 0.00 N ATOM 0 H LYS A 73 3.844 -6.096 5.312 1.00 0.00 H new ATOM 0 HA LYS A 73 1.444 -5.403 6.394 1.00 0.00 H new ATOM 0 HB2 LYS A 73 4.198 -4.170 6.466 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.879 -3.364 7.292 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.637 -4.673 9.018 1.00 0.00 H new ATOM 0 HG3 LYS A 73 2.475 -5.787 8.326 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.224 -6.953 7.092 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.415 -5.751 7.547 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.781 -7.587 9.018 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.967 -6.374 9.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.015 -8.558 10.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 2.865 -7.534 9.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.654 -8.710 8.686 1.00 0.00 H new ATOM 1120 N ALA A 74 2.475 -3.008 4.349 1.00 0.00 N ATOM 1121 CA ALA A 74 2.018 -1.877 3.553 1.00 0.00 C ATOM 1122 C ALA A 74 0.920 -2.296 2.581 1.00 0.00 C ATOM 1123 O ALA A 74 -0.062 -1.578 2.392 1.00 0.00 O ATOM 1124 CB ALA A 74 3.185 -1.257 2.797 1.00 0.00 C ATOM 0 H ALA A 74 3.472 -3.208 4.265 1.00 0.00 H new ATOM 0 HA ALA A 74 1.602 -1.133 4.232 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.829 -0.413 2.206 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.936 -0.912 3.507 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.627 -2.002 2.135 1.00 0.00 H new ATOM 1130 N ARG A 75 1.094 -3.461 1.966 1.00 0.00 N ATOM 1131 CA ARG A 75 0.117 -3.976 1.013 1.00 0.00 C ATOM 1132 C ARG A 75 -1.203 -4.296 1.706 1.00 0.00 C ATOM 1133 O ARG A 75 -2.276 -4.156 1.118 1.00 0.00 O ATOM 1134 CB ARG A 75 0.660 -5.227 0.321 1.00 0.00 C ATOM 1135 CG ARG A 75 0.136 -5.416 -1.094 1.00 0.00 C ATOM 1136 CD ARG A 75 0.713 -6.667 -1.738 1.00 0.00 C ATOM 1137 NE ARG A 75 -0.083 -7.853 -1.439 1.00 0.00 N ATOM 1138 CZ ARG A 75 0.083 -8.595 -0.350 1.00 0.00 C ATOM 1139 NH1 ARG A 75 1.011 -8.272 0.540 1.00 0.00 N ATOM 1140 NH2 ARG A 75 -0.681 -9.660 -0.147 1.00 0.00 N ATOM 0 H ARG A 75 1.902 -4.066 2.110 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.065 -3.205 0.264 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.748 -5.173 0.292 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.400 -6.103 0.916 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.952 -5.484 -1.075 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.390 -4.544 -1.697 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.765 -6.528 -2.818 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.734 -6.818 -1.387 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.807 -8.127 -2.103 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.599 -7.452 0.389 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.137 -8.843 1.376 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.398 -9.911 -0.828 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.552 -10.228 0.690 1.00 0.00 H new ATOM 1154 N HIS A 76 -1.118 -4.728 2.961 1.00 0.00 N ATOM 1155 CA HIS A 76 -2.305 -5.069 3.734 1.00 0.00 C ATOM 1156 C HIS A 76 -3.035 -3.810 4.193 1.00 0.00 C ATOM 1157 O HIS A 76 -4.263 -3.785 4.268 1.00 0.00 O ATOM 1158 CB HIS A 76 -1.925 -5.920 4.946 1.00 0.00 C ATOM 1159 CG HIS A 76 -3.091 -6.612 5.582 1.00 0.00 C ATOM 1160 ND1 HIS A 76 -3.808 -7.610 4.956 1.00 0.00 N ATOM 1161 CD2 HIS A 76 -3.663 -6.445 6.798 1.00 0.00 C ATOM 1162 CE1 HIS A 76 -4.772 -8.025 5.759 1.00 0.00 C ATOM 1163 NE2 HIS A 76 -4.706 -7.335 6.883 1.00 0.00 N ATOM 0 H HIS A 76 -0.239 -4.850 3.463 1.00 0.00 H new ATOM 0 HA HIS A 76 -2.973 -5.643 3.091 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -1.193 -6.667 4.640 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -1.441 -5.285 5.688 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -3.356 -5.743 7.559 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -5.492 -8.798 5.534 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -5.328 -7.445 7.684 1.00 0.00 H new ATOM 1171 N GLU A 77 -2.270 -2.767 4.500 1.00 0.00 N ATOM 1172 CA GLU A 77 -2.845 -1.505 4.952 1.00 0.00 C ATOM 1173 C GLU A 77 -3.485 -0.751 3.791 1.00 0.00 C ATOM 1174 O GLU A 77 -4.594 -0.230 3.910 1.00 0.00 O ATOM 1175 CB GLU A 77 -1.770 -0.636 5.608 1.00 0.00 C ATOM 1176 CG GLU A 77 -1.366 -1.109 6.994 1.00 0.00 C ATOM 1177 CD GLU A 77 -2.480 -0.951 8.012 1.00 0.00 C ATOM 1178 OE1 GLU A 77 -2.628 0.161 8.559 1.00 0.00 O ATOM 1179 OE2 GLU A 77 -3.201 -1.940 8.260 1.00 0.00 O ATOM 0 H GLU A 77 -1.252 -2.771 4.444 1.00 0.00 H new ATOM 0 HA GLU A 77 -3.619 -1.730 5.686 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -0.888 -0.619 4.968 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -2.135 0.389 5.675 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -1.070 -2.157 6.944 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -0.493 -0.547 7.326 1.00 0.00 H new ATOM 1186 N VAL A 78 -2.779 -0.698 2.666 1.00 0.00 N ATOM 1187 CA VAL A 78 -3.277 -0.008 1.482 1.00 0.00 C ATOM 1188 C VAL A 78 -4.526 -0.690 0.934 1.00 0.00 C ATOM 1189 O VAL A 78 -5.460 -0.027 0.481 1.00 0.00 O ATOM 1190 CB VAL A 78 -2.209 0.048 0.374 1.00 0.00 C ATOM 1191 CG1 VAL A 78 -2.081 -1.301 -0.316 1.00 0.00 C ATOM 1192 CG2 VAL A 78 -2.541 1.140 -0.632 1.00 0.00 C ATOM 0 H VAL A 78 -1.860 -1.125 2.550 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.525 1.008 1.789 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.249 0.287 0.833 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.321 -1.240 -1.095 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.792 -2.057 0.414 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -3.037 -1.574 -0.762 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -1.776 1.165 -1.408 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.511 0.934 -1.085 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.575 2.104 -0.125 1.00 0.00 H new ATOM 1202 N LEU A 79 -4.536 -2.017 0.979 1.00 0.00 N ATOM 1203 CA LEU A 79 -5.671 -2.790 0.487 1.00 0.00 C ATOM 1204 C LEU A 79 -6.872 -2.644 1.416 1.00 0.00 C ATOM 1205 O LEU A 79 -8.014 -2.559 0.963 1.00 0.00 O ATOM 1206 CB LEU A 79 -5.290 -4.266 0.357 1.00 0.00 C ATOM 1207 CG LEU A 79 -4.618 -4.672 -0.956 1.00 0.00 C ATOM 1208 CD1 LEU A 79 -3.807 -5.945 -0.769 1.00 0.00 C ATOM 1209 CD2 LEU A 79 -5.658 -4.856 -2.052 1.00 0.00 C ATOM 0 H LEU A 79 -3.771 -2.580 1.351 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.944 -2.403 -0.495 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.621 -4.522 1.179 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.192 -4.866 0.481 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.939 -3.874 -1.257 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.336 -6.219 -1.713 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.038 -5.779 -0.015 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.465 -6.751 -0.445 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -5.163 -5.145 -2.979 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.362 -5.635 -1.759 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.196 -3.920 -2.204 1.00 0.00 H new ATOM 1221 N LEU A 80 -6.607 -2.613 2.717 1.00 0.00 N ATOM 1222 CA LEU A 80 -7.667 -2.475 3.711 1.00 0.00 C ATOM 1223 C LEU A 80 -8.392 -1.143 3.551 1.00 0.00 C ATOM 1224 O LEU A 80 -9.620 -1.100 3.477 1.00 0.00 O ATOM 1225 CB LEU A 80 -7.086 -2.587 5.122 1.00 0.00 C ATOM 1226 CG LEU A 80 -6.937 -4.004 5.676 1.00 0.00 C ATOM 1227 CD1 LEU A 80 -6.086 -3.996 6.937 1.00 0.00 C ATOM 1228 CD2 LEU A 80 -8.302 -4.614 5.956 1.00 0.00 C ATOM 0 H LEU A 80 -5.668 -2.681 3.109 1.00 0.00 H new ATOM 0 HA LEU A 80 -8.386 -3.280 3.556 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.105 -2.111 5.128 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.721 -2.018 5.801 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.435 -4.616 4.926 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.990 -5.013 7.318 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.097 -3.601 6.706 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.560 -3.369 7.692 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.176 -5.623 6.350 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -8.831 -4.002 6.687 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.879 -4.655 5.032 1.00 0.00 H new ATOM 1240 N ILE A 81 -7.625 -0.060 3.497 1.00 0.00 N ATOM 1241 CA ILE A 81 -8.195 1.273 3.342 1.00 0.00 C ATOM 1242 C ILE A 81 -9.087 1.349 2.107 1.00 0.00 C ATOM 1243 O ILE A 81 -10.283 1.623 2.208 1.00 0.00 O ATOM 1244 CB ILE A 81 -7.096 2.346 3.235 1.00 0.00 C ATOM 1245 CG1 ILE A 81 -6.236 2.355 4.500 1.00 0.00 C ATOM 1246 CG2 ILE A 81 -7.715 3.717 2.999 1.00 0.00 C ATOM 1247 CD1 ILE A 81 -4.844 2.904 4.281 1.00 0.00 C ATOM 0 H ILE A 81 -6.607 -0.079 3.558 1.00 0.00 H new ATOM 0 HA ILE A 81 -8.794 1.466 4.232 1.00 0.00 H new ATOM 0 HB ILE A 81 -6.457 2.106 2.385 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -6.736 2.949 5.265 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -6.160 1.338 4.885 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -6.925 4.465 2.926 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.289 3.703 2.072 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -8.375 3.966 3.830 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -4.291 2.880 5.220 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -4.326 2.296 3.539 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -4.910 3.932 3.925 1.00 0.00 H new ATOM 1259 N SER A 82 -8.497 1.103 0.941 1.00 0.00 N ATOM 1260 CA SER A 82 -9.237 1.146 -0.314 1.00 0.00 C ATOM 1261 C SER A 82 -10.429 0.194 -0.274 1.00 0.00 C ATOM 1262 O SER A 82 -11.529 0.542 -0.704 1.00 0.00 O ATOM 1263 CB SER A 82 -8.320 0.783 -1.483 1.00 0.00 C ATOM 1264 OG SER A 82 -7.631 -0.429 -1.235 1.00 0.00 O ATOM 0 H SER A 82 -7.509 0.872 0.840 1.00 0.00 H new ATOM 0 HA SER A 82 -9.609 2.161 -0.454 1.00 0.00 H new ATOM 0 HB2 SER A 82 -8.909 0.690 -2.395 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.601 1.586 -1.648 1.00 0.00 H new ATOM 0 HG SER A 82 -6.858 -0.254 -0.659 1.00 0.00 H new ATOM 1270 N ALA A 83 -10.201 -1.008 0.244 1.00 0.00 N ATOM 1271 CA ALA A 83 -11.256 -2.009 0.343 1.00 0.00 C ATOM 1272 C ALA A 83 -12.449 -1.476 1.129 1.00 0.00 C ATOM 1273 O ALA A 83 -13.599 -1.701 0.755 1.00 0.00 O ATOM 1274 CB ALA A 83 -10.720 -3.279 0.990 1.00 0.00 C ATOM 0 H ALA A 83 -9.295 -1.312 0.602 1.00 0.00 H new ATOM 0 HA ALA A 83 -11.595 -2.243 -0.666 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -11.519 -4.018 1.058 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -9.906 -3.679 0.386 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -10.352 -3.050 1.990 1.00 0.00 H new ATOM 1280 N GLU A 84 -12.165 -0.769 2.217 1.00 0.00 N ATOM 1281 CA GLU A 84 -13.216 -0.205 3.056 1.00 0.00 C ATOM 1282 C GLU A 84 -14.000 0.865 2.302 1.00 0.00 C ATOM 1283 O GLU A 84 -15.223 0.946 2.411 1.00 0.00 O ATOM 1284 CB GLU A 84 -12.617 0.391 4.332 1.00 0.00 C ATOM 1285 CG GLU A 84 -12.503 -0.604 5.474 1.00 0.00 C ATOM 1286 CD GLU A 84 -13.791 -0.733 6.266 1.00 0.00 C ATOM 1287 OE1 GLU A 84 -14.237 0.281 6.842 1.00 0.00 O ATOM 1288 OE2 GLU A 84 -14.352 -1.848 6.309 1.00 0.00 O ATOM 0 H GLU A 84 -11.217 -0.573 2.539 1.00 0.00 H new ATOM 0 HA GLU A 84 -13.900 -1.010 3.326 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -11.627 0.788 4.107 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -13.232 1.231 4.654 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -12.227 -1.580 5.075 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.699 -0.294 6.142 1.00 0.00 H new ATOM 1295 N GLN A 85 -13.285 1.683 1.536 1.00 0.00 N ATOM 1296 CA GLN A 85 -13.913 2.749 0.764 1.00 0.00 C ATOM 1297 C GLN A 85 -14.977 2.188 -0.174 1.00 0.00 C ATOM 1298 O GLN A 85 -16.009 2.818 -0.407 1.00 0.00 O ATOM 1299 CB GLN A 85 -12.860 3.514 -0.040 1.00 0.00 C ATOM 1300 CG GLN A 85 -11.796 4.173 0.823 1.00 0.00 C ATOM 1301 CD GLN A 85 -12.388 5.046 1.912 1.00 0.00 C ATOM 1302 OE1 GLN A 85 -13.526 5.503 1.809 1.00 0.00 O ATOM 1303 NE2 GLN A 85 -11.615 5.281 2.966 1.00 0.00 N ATOM 0 H GLN A 85 -12.272 1.628 1.433 1.00 0.00 H new ATOM 0 HA GLN A 85 -14.395 3.433 1.462 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -12.378 2.828 -0.736 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -13.356 4.279 -0.638 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -11.174 3.402 1.278 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -11.144 4.777 0.192 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -10.677 4.882 3.010 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -11.959 5.861 3.732 1.00 0.00 H new