USER MOD reduce.3.24.130724 H: found=0, std=0, add=509, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 511 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 25 THR OG1 : rot 41:sc= -0.276 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0599 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -1.25 K(o=-1.3,f=-8.9!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.17 USER MOD Single : A 56 ASN : amide:sc= -0.459 X(o=-0.46,f=-0.83) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.229) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 LYS NZ :NH3+ -147:sc= -0.388 (180deg=-2.13!) USER MOD ----------------------------------------------------------------- ATOM 189 N ALA A 13 1.225 4.780 15.033 1.00 0.00 N ATOM 190 CA ALA A 13 2.324 4.762 14.026 1.00 0.00 C ATOM 191 C ALA A 13 3.483 3.896 14.525 1.00 0.00 C ATOM 192 O ALA A 13 3.588 3.600 15.699 1.00 0.00 O ATOM 193 CB ALA A 13 2.761 6.221 13.893 1.00 0.00 C ATOM 0 HA ALA A 13 2.005 4.344 13.071 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.571 6.294 13.167 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.917 6.824 13.557 1.00 0.00 H new ATOM 0 HB3 ALA A 13 3.107 6.587 14.860 1.00 0.00 H new ATOM 199 N GLY A 14 4.355 3.487 13.644 1.00 0.00 N ATOM 200 CA GLY A 14 5.505 2.641 14.072 1.00 0.00 C ATOM 201 C GLY A 14 6.730 2.969 13.217 1.00 0.00 C ATOM 202 O GLY A 14 7.350 4.002 13.373 1.00 0.00 O ATOM 0 H GLY A 14 4.321 3.702 12.647 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.726 2.816 15.125 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.251 1.586 13.971 1.00 0.00 H new ATOM 206 N GLU A 15 7.083 2.098 12.312 1.00 0.00 N ATOM 207 CA GLU A 15 8.268 2.357 11.445 1.00 0.00 C ATOM 208 C GLU A 15 7.933 2.023 9.989 1.00 0.00 C ATOM 209 O GLU A 15 7.144 1.142 9.712 1.00 0.00 O ATOM 210 CB GLU A 15 9.357 1.425 11.974 1.00 0.00 C ATOM 211 CG GLU A 15 10.733 1.969 11.584 1.00 0.00 C ATOM 212 CD GLU A 15 11.783 1.461 12.573 1.00 0.00 C ATOM 213 OE1 GLU A 15 11.602 1.675 13.761 1.00 0.00 O ATOM 214 OE2 GLU A 15 12.750 0.867 12.126 1.00 0.00 O ATOM 0 H GLU A 15 6.601 1.217 12.135 1.00 0.00 H new ATOM 0 HA GLU A 15 8.581 3.401 11.469 1.00 0.00 H new ATOM 0 HB2 GLU A 15 9.282 1.341 13.058 1.00 0.00 H new ATOM 0 HB3 GLU A 15 9.222 0.423 11.566 1.00 0.00 H new ATOM 0 HG2 GLU A 15 10.988 1.652 10.573 1.00 0.00 H new ATOM 0 HG3 GLU A 15 10.717 3.059 11.582 1.00 0.00 H new ATOM 221 N GLY A 16 8.524 2.719 9.055 1.00 0.00 N ATOM 222 CA GLY A 16 8.231 2.438 7.620 1.00 0.00 C ATOM 223 C GLY A 16 6.720 2.510 7.388 1.00 0.00 C ATOM 224 O GLY A 16 6.161 1.748 6.623 1.00 0.00 O ATOM 0 H GLY A 16 9.195 3.468 9.223 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.743 3.161 6.984 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.606 1.452 7.347 1.00 0.00 H new ATOM 228 N GLU A 17 6.055 3.418 8.048 1.00 0.00 N ATOM 229 CA GLU A 17 4.580 3.538 7.874 1.00 0.00 C ATOM 230 C GLU A 17 4.230 4.846 7.158 1.00 0.00 C ATOM 231 O GLU A 17 5.047 5.736 7.034 1.00 0.00 O ATOM 232 CB GLU A 17 4.017 3.543 9.297 1.00 0.00 C ATOM 233 CG GLU A 17 4.560 4.756 10.057 1.00 0.00 C ATOM 234 CD GLU A 17 3.413 5.704 10.406 1.00 0.00 C ATOM 235 OE1 GLU A 17 2.389 5.637 9.745 1.00 0.00 O ATOM 236 OE2 GLU A 17 3.578 6.484 11.328 1.00 0.00 O ATOM 0 H GLU A 17 6.470 4.083 8.701 1.00 0.00 H new ATOM 0 HA GLU A 17 4.170 2.728 7.270 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.928 3.576 9.268 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.294 2.624 9.812 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.065 4.431 10.967 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.301 5.275 9.450 1.00 0.00 H new ATOM 243 N ILE A 18 3.018 4.966 6.689 1.00 0.00 N ATOM 244 CA ILE A 18 2.609 6.215 5.986 1.00 0.00 C ATOM 245 C ILE A 18 1.293 6.738 6.576 1.00 0.00 C ATOM 246 O ILE A 18 0.233 6.238 6.252 1.00 0.00 O ATOM 247 CB ILE A 18 2.422 5.805 4.526 1.00 0.00 C ATOM 248 CG1 ILE A 18 3.739 5.250 3.979 1.00 0.00 C ATOM 249 CG2 ILE A 18 2.004 7.025 3.702 1.00 0.00 C ATOM 250 CD1 ILE A 18 3.540 3.797 3.543 1.00 0.00 C ATOM 0 H ILE A 18 2.293 4.252 6.762 1.00 0.00 H new ATOM 0 HA ILE A 18 3.345 7.013 6.089 1.00 0.00 H new ATOM 0 HB ILE A 18 1.649 5.039 4.461 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.076 5.851 3.135 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.515 5.309 4.742 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.871 6.732 2.661 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.066 7.422 4.090 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.777 7.791 3.768 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.478 3.402 3.153 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.223 3.201 4.398 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.777 3.752 2.766 1.00 0.00 H new ATOM 262 N PRO A 19 1.401 7.726 7.431 1.00 0.00 N ATOM 263 CA PRO A 19 0.195 8.307 8.071 1.00 0.00 C ATOM 264 C PRO A 19 -0.618 9.111 7.054 1.00 0.00 C ATOM 265 O PRO A 19 -0.131 10.052 6.460 1.00 0.00 O ATOM 266 CB PRO A 19 0.765 9.217 9.156 1.00 0.00 C ATOM 267 CG PRO A 19 2.139 9.564 8.684 1.00 0.00 C ATOM 268 CD PRO A 19 2.633 8.392 7.878 1.00 0.00 C ATOM 0 HA PRO A 19 -0.483 7.552 8.469 1.00 0.00 H new ATOM 0 HB2 PRO A 19 0.154 10.110 9.284 1.00 0.00 H new ATOM 0 HB3 PRO A 19 0.795 8.711 10.121 1.00 0.00 H new ATOM 0 HG2 PRO A 19 2.122 10.470 8.078 1.00 0.00 H new ATOM 0 HG3 PRO A 19 2.800 9.758 9.529 1.00 0.00 H new ATOM 0 HD2 PRO A 19 3.241 8.716 7.033 1.00 0.00 H new ATOM 0 HD3 PRO A 19 3.252 7.726 8.479 1.00 0.00 H new ATOM 276 N ALA A 20 -1.855 8.747 6.850 1.00 0.00 N ATOM 277 CA ALA A 20 -2.700 9.489 5.872 1.00 0.00 C ATOM 278 C ALA A 20 -2.839 10.956 6.301 1.00 0.00 C ATOM 279 O ALA A 20 -2.960 11.243 7.474 1.00 0.00 O ATOM 280 CB ALA A 20 -4.058 8.789 5.915 1.00 0.00 C ATOM 0 H ALA A 20 -2.317 7.968 7.319 1.00 0.00 H new ATOM 0 HA ALA A 20 -2.272 9.489 4.870 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.741 9.277 5.220 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -3.938 7.743 5.632 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.465 8.847 6.924 1.00 0.00 H new ATOM 286 N PRO A 21 -2.821 11.842 5.334 1.00 0.00 N ATOM 287 CA PRO A 21 -2.951 13.289 5.636 1.00 0.00 C ATOM 288 C PRO A 21 -4.391 13.623 6.038 1.00 0.00 C ATOM 289 O PRO A 21 -4.652 14.627 6.669 1.00 0.00 O ATOM 290 CB PRO A 21 -2.584 13.966 4.319 1.00 0.00 C ATOM 291 CG PRO A 21 -2.872 12.946 3.264 1.00 0.00 C ATOM 292 CD PRO A 21 -2.678 11.591 3.893 1.00 0.00 C ATOM 0 HA PRO A 21 -2.321 13.612 6.465 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -3.172 14.871 4.164 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -1.535 14.261 4.306 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -3.890 13.055 2.891 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -2.205 13.074 2.412 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -3.420 10.876 3.537 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -1.698 11.178 3.656 1.00 0.00 H new ATOM 300 N LEU A 22 -5.327 12.787 5.677 1.00 0.00 N ATOM 301 CA LEU A 22 -6.748 13.056 6.038 1.00 0.00 C ATOM 302 C LEU A 22 -7.533 11.743 6.115 1.00 0.00 C ATOM 303 O LEU A 22 -7.216 10.778 5.447 1.00 0.00 O ATOM 304 CB LEU A 22 -7.284 13.934 4.908 1.00 0.00 C ATOM 305 CG LEU A 22 -7.307 15.396 5.365 1.00 0.00 C ATOM 306 CD1 LEU A 22 -6.543 16.262 4.361 1.00 0.00 C ATOM 307 CD2 LEU A 22 -8.755 15.880 5.458 1.00 0.00 C ATOM 0 H LEU A 22 -5.169 11.930 5.148 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.842 13.539 7.010 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -6.657 13.828 4.022 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.288 13.613 4.628 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.833 15.475 6.344 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -6.561 17.301 4.689 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -5.510 15.920 4.297 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -7.013 16.183 3.381 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.771 16.920 5.783 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -9.229 15.798 4.480 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -9.298 15.267 6.177 1.00 0.00 H new ATOM 319 N ALA A 23 -8.555 11.699 6.926 1.00 0.00 N ATOM 320 CA ALA A 23 -9.358 10.448 7.047 1.00 0.00 C ATOM 321 C ALA A 23 -9.832 9.985 5.666 1.00 0.00 C ATOM 322 O ALA A 23 -9.625 10.653 4.673 1.00 0.00 O ATOM 323 CB ALA A 23 -10.552 10.829 7.923 1.00 0.00 C ATOM 0 H ALA A 23 -8.869 12.474 7.510 1.00 0.00 H new ATOM 0 HA ALA A 23 -8.782 9.628 7.475 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.195 9.959 8.061 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -10.196 11.174 8.894 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.118 11.626 7.440 1.00 0.00 H new ATOM 329 N GLY A 24 -10.464 8.845 5.597 1.00 0.00 N ATOM 330 CA GLY A 24 -10.950 8.341 4.282 1.00 0.00 C ATOM 331 C GLY A 24 -11.608 6.973 4.469 1.00 0.00 C ATOM 332 O GLY A 24 -11.291 6.240 5.385 1.00 0.00 O ATOM 0 H GLY A 24 -10.665 8.241 6.394 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.664 9.044 3.853 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.119 8.263 3.581 1.00 0.00 H new ATOM 336 N THR A 25 -12.525 6.622 3.609 1.00 0.00 N ATOM 337 CA THR A 25 -13.203 5.301 3.740 1.00 0.00 C ATOM 338 C THR A 25 -12.706 4.341 2.655 1.00 0.00 C ATOM 339 O THR A 25 -12.582 4.704 1.502 1.00 0.00 O ATOM 340 CB THR A 25 -14.691 5.600 3.556 1.00 0.00 C ATOM 341 OG1 THR A 25 -14.871 6.403 2.397 1.00 0.00 O ATOM 342 CG2 THR A 25 -15.219 6.346 4.782 1.00 0.00 C ATOM 0 H THR A 25 -12.834 7.192 2.822 1.00 0.00 H new ATOM 0 HA THR A 25 -13.000 4.825 4.699 1.00 0.00 H new ATOM 0 HB THR A 25 -15.238 4.665 3.440 1.00 0.00 H new ATOM 0 HG1 THR A 25 -14.279 6.085 1.683 1.00 0.00 H new ATOM 0 HG21 THR A 25 -16.280 6.559 4.650 1.00 0.00 H new ATOM 0 HG22 THR A 25 -15.081 5.730 5.670 1.00 0.00 H new ATOM 0 HG23 THR A 25 -14.674 7.282 4.901 1.00 0.00 H new ATOM 350 N VAL A 26 -12.416 3.122 3.017 1.00 0.00 N ATOM 351 CA VAL A 26 -11.923 2.142 2.009 1.00 0.00 C ATOM 352 C VAL A 26 -13.098 1.390 1.375 1.00 0.00 C ATOM 353 O VAL A 26 -13.959 0.875 2.060 1.00 0.00 O ATOM 354 CB VAL A 26 -11.032 1.178 2.795 1.00 0.00 C ATOM 355 CG1 VAL A 26 -10.384 0.181 1.833 1.00 0.00 C ATOM 356 CG2 VAL A 26 -9.941 1.969 3.521 1.00 0.00 C ATOM 0 H VAL A 26 -12.499 2.762 3.968 1.00 0.00 H new ATOM 0 HA VAL A 26 -11.383 2.627 1.196 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.636 0.638 3.524 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.749 -0.505 2.393 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.160 -0.383 1.316 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.780 0.720 1.103 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.306 1.283 4.081 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.337 2.509 2.792 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -10.402 2.679 4.208 1.00 0.00 H new ATOM 366 N SER A 27 -13.137 1.326 0.072 1.00 0.00 N ATOM 367 CA SER A 27 -14.254 0.608 -0.606 1.00 0.00 C ATOM 368 C SER A 27 -13.788 -0.775 -1.072 1.00 0.00 C ATOM 369 O SER A 27 -14.581 -1.677 -1.258 1.00 0.00 O ATOM 370 CB SER A 27 -14.618 1.485 -1.804 1.00 0.00 C ATOM 371 OG SER A 27 -15.550 2.476 -1.393 1.00 0.00 O ATOM 0 H SER A 27 -12.444 1.739 -0.552 1.00 0.00 H new ATOM 0 HA SER A 27 -15.106 0.449 0.055 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.723 1.957 -2.210 1.00 0.00 H new ATOM 0 HB3 SER A 27 -15.045 0.875 -2.600 1.00 0.00 H new ATOM 0 HG SER A 27 -15.785 3.042 -2.158 1.00 0.00 H new ATOM 377 N LYS A 28 -12.508 -0.948 -1.258 1.00 0.00 N ATOM 378 CA LYS A 28 -11.992 -2.273 -1.708 1.00 0.00 C ATOM 379 C LYS A 28 -10.464 -2.307 -1.607 1.00 0.00 C ATOM 380 O LYS A 28 -9.819 -1.289 -1.459 1.00 0.00 O ATOM 381 CB LYS A 28 -12.436 -2.398 -3.165 1.00 0.00 C ATOM 382 CG LYS A 28 -12.203 -3.829 -3.650 1.00 0.00 C ATOM 383 CD LYS A 28 -13.129 -4.126 -4.831 1.00 0.00 C ATOM 384 CE LYS A 28 -14.493 -4.582 -4.308 1.00 0.00 C ATOM 385 NZ LYS A 28 -15.110 -5.327 -5.441 1.00 0.00 N ATOM 0 H LYS A 28 -11.797 -0.230 -1.118 1.00 0.00 H new ATOM 0 HA LYS A 28 -12.369 -3.092 -1.096 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -13.491 -2.139 -3.258 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -11.879 -1.697 -3.787 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -11.163 -3.958 -3.949 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -12.392 -4.534 -2.840 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -13.244 -3.236 -5.450 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -12.693 -4.899 -5.463 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -14.386 -5.218 -3.429 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -15.108 -3.731 -4.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -16.050 -5.672 -5.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -15.205 -4.695 -6.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -14.506 -6.135 -5.695 1.00 0.00 H new ATOM 399 N ILE A 29 -9.881 -3.472 -1.682 1.00 0.00 N ATOM 400 CA ILE A 29 -8.396 -3.568 -1.586 1.00 0.00 C ATOM 401 C ILE A 29 -7.824 -4.246 -2.833 1.00 0.00 C ATOM 402 O ILE A 29 -8.423 -5.141 -3.395 1.00 0.00 O ATOM 403 CB ILE A 29 -8.135 -4.426 -0.349 1.00 0.00 C ATOM 404 CG1 ILE A 29 -6.627 -4.583 -0.148 1.00 0.00 C ATOM 405 CG2 ILE A 29 -8.769 -5.805 -0.544 1.00 0.00 C ATOM 406 CD1 ILE A 29 -6.363 -5.453 1.082 1.00 0.00 C ATOM 0 H ILE A 29 -10.367 -4.360 -1.805 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.925 -2.587 -1.513 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.571 -3.945 0.527 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.177 -5.037 -1.031 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.163 -3.605 -0.021 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.584 -6.419 0.338 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -9.844 -5.694 -0.690 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.332 -6.286 -1.419 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.288 -5.565 1.225 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -6.799 -4.980 1.962 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.814 -6.435 0.937 1.00 0.00 H new ATOM 418 N LEU A 30 -6.663 -3.832 -3.263 1.00 0.00 N ATOM 419 CA LEU A 30 -6.049 -4.460 -4.467 1.00 0.00 C ATOM 420 C LEU A 30 -4.941 -5.424 -4.041 1.00 0.00 C ATOM 421 O LEU A 30 -4.947 -6.587 -4.393 1.00 0.00 O ATOM 422 CB LEU A 30 -5.474 -3.298 -5.276 1.00 0.00 C ATOM 423 CG LEU A 30 -6.317 -3.089 -6.536 1.00 0.00 C ATOM 424 CD1 LEU A 30 -7.447 -2.103 -6.234 1.00 0.00 C ATOM 425 CD2 LEU A 30 -5.435 -2.530 -7.654 1.00 0.00 C ATOM 0 H LEU A 30 -6.114 -3.087 -2.833 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.769 -5.036 -5.049 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.468 -2.389 -4.674 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.439 -3.507 -5.548 1.00 0.00 H new ATOM 0 HG LEU A 30 -6.741 -4.042 -6.852 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -8.048 -1.953 -7.131 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -8.076 -2.503 -5.438 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.023 -1.150 -5.918 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.036 -2.381 -8.551 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.010 -1.577 -7.340 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.630 -3.233 -7.869 1.00 0.00 H new ATOM 437 N VAL A 31 -3.993 -4.955 -3.274 1.00 0.00 N ATOM 438 CA VAL A 31 -2.893 -5.856 -2.820 1.00 0.00 C ATOM 439 C VAL A 31 -3.429 -6.850 -1.785 1.00 0.00 C ATOM 440 O VAL A 31 -4.620 -6.938 -1.558 1.00 0.00 O ATOM 441 CB VAL A 31 -1.849 -4.932 -2.189 1.00 0.00 C ATOM 442 CG1 VAL A 31 -1.269 -4.009 -3.261 1.00 0.00 C ATOM 443 CG2 VAL A 31 -2.504 -4.092 -1.091 1.00 0.00 C ATOM 0 H VAL A 31 -3.932 -3.992 -2.943 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.471 -6.439 -3.638 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.049 -5.533 -1.756 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.525 -3.351 -2.811 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.799 -4.608 -4.041 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.068 -3.409 -3.696 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.759 -3.435 -0.643 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.306 -3.492 -1.521 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.915 -4.750 -0.325 1.00 0.00 H new ATOM 453 N LYS A 32 -2.565 -7.598 -1.153 1.00 0.00 N ATOM 454 CA LYS A 32 -3.042 -8.581 -0.135 1.00 0.00 C ATOM 455 C LYS A 32 -1.930 -8.899 0.868 1.00 0.00 C ATOM 456 O LYS A 32 -1.771 -10.026 1.294 1.00 0.00 O ATOM 457 CB LYS A 32 -3.422 -9.828 -0.931 1.00 0.00 C ATOM 458 CG LYS A 32 -4.882 -10.188 -0.649 1.00 0.00 C ATOM 459 CD LYS A 32 -4.943 -11.350 0.344 1.00 0.00 C ATOM 460 CE LYS A 32 -5.197 -12.656 -0.413 1.00 0.00 C ATOM 461 NZ LYS A 32 -5.558 -13.647 0.638 1.00 0.00 N ATOM 0 H LYS A 32 -1.555 -7.572 -1.295 1.00 0.00 H new ATOM 0 HA LYS A 32 -3.882 -8.195 0.442 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -3.280 -9.649 -1.997 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -2.772 -10.659 -0.657 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -5.408 -9.323 -0.245 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -5.385 -10.462 -1.576 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.008 -11.416 0.901 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -5.736 -11.179 1.072 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -6.001 -12.541 -1.140 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -4.311 -12.971 -0.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -5.747 -14.569 0.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -4.771 -13.741 1.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -6.409 -13.324 1.142 1.00 0.00 H new ATOM 475 N GLU A 33 -1.165 -7.911 1.257 1.00 0.00 N ATOM 476 CA GLU A 33 -0.062 -8.144 2.242 1.00 0.00 C ATOM 477 C GLU A 33 0.961 -9.138 1.685 1.00 0.00 C ATOM 478 O GLU A 33 0.620 -10.095 1.018 1.00 0.00 O ATOM 479 CB GLU A 33 -0.741 -8.717 3.491 1.00 0.00 C ATOM 480 CG GLU A 33 0.085 -8.364 4.730 1.00 0.00 C ATOM 481 CD GLU A 33 -0.749 -8.611 5.989 1.00 0.00 C ATOM 482 OE1 GLU A 33 -1.948 -8.391 5.935 1.00 0.00 O ATOM 483 OE2 GLU A 33 -0.174 -9.015 6.986 1.00 0.00 O ATOM 0 H GLU A 33 -1.256 -6.948 0.934 1.00 0.00 H new ATOM 0 HA GLU A 33 0.481 -7.224 2.461 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.749 -8.314 3.587 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.837 -9.799 3.401 1.00 0.00 H new ATOM 0 HG2 GLU A 33 0.993 -8.967 4.759 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.397 -7.320 4.687 1.00 0.00 H new ATOM 490 N GLY A 34 2.219 -8.917 1.956 1.00 0.00 N ATOM 491 CA GLY A 34 3.268 -9.845 1.448 1.00 0.00 C ATOM 492 C GLY A 34 3.304 -9.804 -0.082 1.00 0.00 C ATOM 493 O GLY A 34 3.858 -10.675 -0.722 1.00 0.00 O ATOM 0 H GLY A 34 2.565 -8.132 2.508 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.241 -9.563 1.851 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.064 -10.860 1.788 1.00 0.00 H new ATOM 497 N ASP A 35 2.722 -8.797 -0.676 1.00 0.00 N ATOM 498 CA ASP A 35 2.732 -8.704 -2.162 1.00 0.00 C ATOM 499 C ASP A 35 3.600 -7.523 -2.604 1.00 0.00 C ATOM 500 O ASP A 35 3.408 -6.403 -2.171 1.00 0.00 O ATOM 501 CB ASP A 35 1.272 -8.476 -2.556 1.00 0.00 C ATOM 502 CG ASP A 35 0.857 -9.511 -3.604 1.00 0.00 C ATOM 503 OD1 ASP A 35 0.538 -10.623 -3.217 1.00 0.00 O ATOM 504 OD2 ASP A 35 0.867 -9.174 -4.777 1.00 0.00 O ATOM 0 H ASP A 35 2.241 -8.036 -0.196 1.00 0.00 H new ATOM 0 HA ASP A 35 3.143 -9.597 -2.632 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.631 -8.555 -1.678 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.145 -7.469 -2.954 1.00 0.00 H new ATOM 509 N THR A 36 4.555 -7.763 -3.459 1.00 0.00 N ATOM 510 CA THR A 36 5.432 -6.651 -3.923 1.00 0.00 C ATOM 511 C THR A 36 4.586 -5.546 -4.558 1.00 0.00 C ATOM 512 O THR A 36 3.380 -5.657 -4.661 1.00 0.00 O ATOM 513 CB THR A 36 6.359 -7.283 -4.962 1.00 0.00 C ATOM 514 OG1 THR A 36 6.778 -8.561 -4.504 1.00 0.00 O ATOM 515 CG2 THR A 36 7.581 -6.387 -5.171 1.00 0.00 C ATOM 0 H THR A 36 4.766 -8.679 -3.856 1.00 0.00 H new ATOM 0 HA THR A 36 5.991 -6.195 -3.106 1.00 0.00 H new ATOM 0 HB THR A 36 5.827 -7.392 -5.907 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.371 -8.969 -5.169 1.00 0.00 H new ATOM 0 HG21 THR A 36 8.241 -6.839 -5.912 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.258 -5.407 -5.522 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.116 -6.276 -4.228 1.00 0.00 H new ATOM 523 N VAL A 37 5.205 -4.482 -4.984 1.00 0.00 N ATOM 524 CA VAL A 37 4.430 -3.373 -5.609 1.00 0.00 C ATOM 525 C VAL A 37 5.382 -2.335 -6.209 1.00 0.00 C ATOM 526 O VAL A 37 6.557 -2.308 -5.904 1.00 0.00 O ATOM 527 CB VAL A 37 3.619 -2.766 -4.463 1.00 0.00 C ATOM 528 CG1 VAL A 37 4.568 -2.188 -3.411 1.00 0.00 C ATOM 529 CG2 VAL A 37 2.718 -1.656 -5.005 1.00 0.00 C ATOM 0 H VAL A 37 6.212 -4.331 -4.927 1.00 0.00 H new ATOM 0 HA VAL A 37 3.790 -3.719 -6.421 1.00 0.00 H new ATOM 0 HB VAL A 37 3.004 -3.541 -4.007 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.988 -1.756 -2.596 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.206 -2.981 -3.022 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.187 -1.414 -3.865 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.141 -1.224 -4.187 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.332 -0.881 -5.465 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.039 -2.070 -5.750 1.00 0.00 H new ATOM 539 N LYS A 38 4.884 -1.479 -7.058 1.00 0.00 N ATOM 540 CA LYS A 38 5.763 -0.444 -7.671 1.00 0.00 C ATOM 541 C LYS A 38 5.212 0.953 -7.375 1.00 0.00 C ATOM 542 O LYS A 38 4.175 1.104 -6.760 1.00 0.00 O ATOM 543 CB LYS A 38 5.730 -0.731 -9.174 1.00 0.00 C ATOM 544 CG LYS A 38 6.799 -1.770 -9.515 1.00 0.00 C ATOM 545 CD LYS A 38 7.234 -1.600 -10.972 1.00 0.00 C ATOM 546 CE LYS A 38 6.383 -2.499 -11.869 1.00 0.00 C ATOM 547 NZ LYS A 38 7.117 -3.793 -11.925 1.00 0.00 N ATOM 0 H LYS A 38 3.908 -1.451 -7.353 1.00 0.00 H new ATOM 0 HA LYS A 38 6.779 -0.476 -7.277 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.745 -1.097 -9.464 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.907 0.187 -9.735 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.657 -1.654 -8.853 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.407 -2.775 -9.357 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.125 -0.559 -11.275 1.00 0.00 H new ATOM 0 HD3 LYS A 38 8.288 -1.855 -11.080 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.381 -2.631 -11.459 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.267 -2.068 -12.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.594 -4.463 -12.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.064 -3.638 -12.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.207 -4.183 -10.965 1.00 0.00 H new ATOM 561 N ALA A 39 5.899 1.976 -7.802 1.00 0.00 N ATOM 562 CA ALA A 39 5.414 3.360 -7.539 1.00 0.00 C ATOM 563 C ALA A 39 4.378 3.773 -8.589 1.00 0.00 C ATOM 564 O ALA A 39 4.625 3.711 -9.777 1.00 0.00 O ATOM 565 CB ALA A 39 6.660 4.240 -7.641 1.00 0.00 C ATOM 0 H ALA A 39 6.775 1.914 -8.321 1.00 0.00 H new ATOM 0 HA ALA A 39 4.928 3.448 -6.567 1.00 0.00 H new ATOM 0 HB1 ALA A 39 6.387 5.280 -7.459 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.392 3.922 -6.899 1.00 0.00 H new ATOM 0 HB3 ALA A 39 7.091 4.147 -8.638 1.00 0.00 H new ATOM 571 N GLY A 40 3.221 4.198 -8.160 1.00 0.00 N ATOM 572 CA GLY A 40 2.172 4.618 -9.133 1.00 0.00 C ATOM 573 C GLY A 40 1.159 3.487 -9.326 1.00 0.00 C ATOM 574 O GLY A 40 0.036 3.710 -9.733 1.00 0.00 O ATOM 0 H GLY A 40 2.956 4.273 -7.178 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.666 5.514 -8.772 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.631 4.874 -10.088 1.00 0.00 H new ATOM 578 N GLN A 41 1.545 2.274 -9.039 1.00 0.00 N ATOM 579 CA GLN A 41 0.603 1.132 -9.210 1.00 0.00 C ATOM 580 C GLN A 41 -0.509 1.196 -8.161 1.00 0.00 C ATOM 581 O GLN A 41 -0.252 1.295 -6.977 1.00 0.00 O ATOM 582 CB GLN A 41 1.460 -0.116 -9.003 1.00 0.00 C ATOM 583 CG GLN A 41 0.615 -1.367 -9.251 1.00 0.00 C ATOM 584 CD GLN A 41 1.378 -2.602 -8.768 1.00 0.00 C ATOM 585 OE1 GLN A 41 2.183 -2.516 -7.863 1.00 0.00 O ATOM 586 NE2 GLN A 41 1.158 -3.754 -9.339 1.00 0.00 N ATOM 0 H GLN A 41 2.472 2.024 -8.694 1.00 0.00 H new ATOM 0 HA GLN A 41 0.117 1.141 -10.186 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.313 -0.100 -9.682 1.00 0.00 H new ATOM 0 HB3 GLN A 41 1.860 -0.130 -7.989 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.337 -1.286 -8.726 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.386 -1.460 -10.313 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.482 -3.826 -10.099 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.662 -4.583 -9.025 1.00 0.00 H new ATOM 595 N THR A 42 -1.744 1.136 -8.583 1.00 0.00 N ATOM 596 CA THR A 42 -2.870 1.187 -7.605 1.00 0.00 C ATOM 597 C THR A 42 -2.661 0.137 -6.510 1.00 0.00 C ATOM 598 O THR A 42 -2.263 -0.979 -6.777 1.00 0.00 O ATOM 599 CB THR A 42 -4.124 0.868 -8.420 1.00 0.00 C ATOM 600 OG1 THR A 42 -4.321 1.881 -9.396 1.00 0.00 O ATOM 601 CG2 THR A 42 -5.336 0.808 -7.491 1.00 0.00 C ATOM 0 H THR A 42 -2.022 1.054 -9.561 1.00 0.00 H new ATOM 0 HA THR A 42 -2.944 2.156 -7.111 1.00 0.00 H new ATOM 0 HB THR A 42 -4.002 -0.095 -8.915 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.123 1.678 -9.921 1.00 0.00 H new ATOM 0 HG21 THR A 42 -6.229 0.581 -8.073 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.183 0.031 -6.743 1.00 0.00 H new ATOM 0 HG23 THR A 42 -5.462 1.770 -6.994 1.00 0.00 H new ATOM 609 N VAL A 43 -2.920 0.487 -5.283 1.00 0.00 N ATOM 610 CA VAL A 43 -2.730 -0.489 -4.175 1.00 0.00 C ATOM 611 C VAL A 43 -4.032 -0.662 -3.392 1.00 0.00 C ATOM 612 O VAL A 43 -4.351 -1.744 -2.936 1.00 0.00 O ATOM 613 CB VAL A 43 -1.648 0.126 -3.288 1.00 0.00 C ATOM 614 CG1 VAL A 43 -1.390 -0.785 -2.086 1.00 0.00 C ATOM 615 CG2 VAL A 43 -0.357 0.276 -4.093 1.00 0.00 C ATOM 0 H VAL A 43 -3.255 1.407 -4.998 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.447 -1.477 -4.539 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.980 1.104 -2.939 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.618 -0.345 -1.455 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.309 -0.897 -1.511 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.059 -1.763 -2.435 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.416 0.715 -3.462 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.029 -0.704 -4.441 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.536 0.924 -4.951 1.00 0.00 H new ATOM 625 N LEU A 44 -4.787 0.393 -3.222 1.00 0.00 N ATOM 626 CA LEU A 44 -6.062 0.264 -2.453 1.00 0.00 C ATOM 627 C LEU A 44 -7.163 1.141 -3.060 1.00 0.00 C ATOM 628 O LEU A 44 -6.939 1.880 -3.992 1.00 0.00 O ATOM 629 CB LEU A 44 -5.718 0.743 -1.042 1.00 0.00 C ATOM 630 CG LEU A 44 -5.703 -0.452 -0.086 1.00 0.00 C ATOM 631 CD1 LEU A 44 -4.476 -0.363 0.823 1.00 0.00 C ATOM 632 CD2 LEU A 44 -6.973 -0.437 0.769 1.00 0.00 C ATOM 0 H LEU A 44 -4.580 1.327 -3.577 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.440 -0.758 -2.466 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.746 1.235 -1.041 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.449 1.480 -0.708 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.663 -1.377 -0.661 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.465 -1.214 1.504 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.571 -0.373 0.215 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.516 0.562 1.399 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.963 -1.288 1.450 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.013 0.488 1.344 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.848 -0.500 0.122 1.00 0.00 H new ATOM 644 N VAL A 45 -8.352 1.063 -2.525 1.00 0.00 N ATOM 645 CA VAL A 45 -9.474 1.893 -3.056 1.00 0.00 C ATOM 646 C VAL A 45 -10.076 2.725 -1.922 1.00 0.00 C ATOM 647 O VAL A 45 -10.140 2.288 -0.791 1.00 0.00 O ATOM 648 CB VAL A 45 -10.497 0.887 -3.587 1.00 0.00 C ATOM 649 CG1 VAL A 45 -11.649 1.639 -4.257 1.00 0.00 C ATOM 650 CG2 VAL A 45 -9.826 -0.033 -4.609 1.00 0.00 C ATOM 0 H VAL A 45 -8.596 0.458 -1.741 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.152 2.587 -3.833 1.00 0.00 H new ATOM 0 HB VAL A 45 -10.883 0.290 -2.761 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -12.379 0.924 -4.636 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -12.127 2.295 -3.529 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.262 2.235 -5.084 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -10.555 -0.750 -4.987 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -9.440 0.563 -5.436 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.005 -0.568 -4.133 1.00 0.00 H new ATOM 660 N LEU A 46 -10.515 3.920 -2.207 1.00 0.00 N ATOM 661 CA LEU A 46 -11.104 4.763 -1.126 1.00 0.00 C ATOM 662 C LEU A 46 -12.171 5.699 -1.697 1.00 0.00 C ATOM 663 O LEU A 46 -12.514 5.631 -2.861 1.00 0.00 O ATOM 664 CB LEU A 46 -9.927 5.565 -0.567 1.00 0.00 C ATOM 665 CG LEU A 46 -9.337 4.832 0.640 1.00 0.00 C ATOM 666 CD1 LEU A 46 -7.820 4.718 0.475 1.00 0.00 C ATOM 667 CD2 LEU A 46 -9.654 5.613 1.917 1.00 0.00 C ATOM 0 H LEU A 46 -10.492 4.347 -3.133 1.00 0.00 H new ATOM 0 HA LEU A 46 -11.593 4.164 -0.358 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -9.165 5.695 -1.335 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -10.258 6.561 -0.274 1.00 0.00 H new ATOM 0 HG LEU A 46 -9.772 3.835 0.707 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -7.399 4.196 1.334 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -7.594 4.161 -0.434 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.385 5.715 0.408 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.234 5.091 2.777 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.220 6.611 1.851 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.735 5.695 2.035 1.00 0.00 H new ATOM 679 N GLU A 47 -12.701 6.570 -0.884 1.00 0.00 N ATOM 680 CA GLU A 47 -13.748 7.510 -1.379 1.00 0.00 C ATOM 681 C GLU A 47 -13.998 8.610 -0.345 1.00 0.00 C ATOM 682 O GLU A 47 -14.556 8.371 0.708 1.00 0.00 O ATOM 683 CB GLU A 47 -14.999 6.650 -1.558 1.00 0.00 C ATOM 684 CG GLU A 47 -15.895 7.268 -2.634 1.00 0.00 C ATOM 685 CD GLU A 47 -15.870 6.392 -3.887 1.00 0.00 C ATOM 686 OE1 GLU A 47 -14.943 6.534 -4.667 1.00 0.00 O ATOM 687 OE2 GLU A 47 -16.777 5.591 -4.045 1.00 0.00 O ATOM 0 H GLU A 47 -12.456 6.672 0.101 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.457 8.004 -2.306 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -14.718 5.636 -1.842 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -15.542 6.578 -0.615 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -16.916 7.360 -2.263 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -15.551 8.274 -2.874 1.00 0.00 H new ATOM 775 N THR A 53 -11.360 6.287 -5.005 1.00 0.00 N ATOM 776 CA THR A 53 -11.230 4.831 -5.349 1.00 0.00 C ATOM 777 C THR A 53 -9.753 4.389 -5.445 1.00 0.00 C ATOM 778 O THR A 53 -8.990 4.599 -4.525 1.00 0.00 O ATOM 779 CB THR A 53 -11.968 4.675 -6.684 1.00 0.00 C ATOM 780 OG1 THR A 53 -11.894 3.321 -7.107 1.00 0.00 O ATOM 781 CG2 THR A 53 -11.332 5.573 -7.743 1.00 0.00 C ATOM 0 HA THR A 53 -11.657 4.192 -4.576 1.00 0.00 H new ATOM 0 HB THR A 53 -13.011 4.964 -6.552 1.00 0.00 H new ATOM 0 HG1 THR A 53 -12.366 3.218 -7.959 1.00 0.00 H new ATOM 0 HG21 THR A 53 -11.863 5.455 -8.687 1.00 0.00 H new ATOM 0 HG22 THR A 53 -11.391 6.613 -7.421 1.00 0.00 H new ATOM 0 HG23 THR A 53 -10.287 5.293 -7.877 1.00 0.00 H new ATOM 789 N GLU A 54 -9.355 3.762 -6.537 1.00 0.00 N ATOM 790 CA GLU A 54 -7.940 3.282 -6.692 1.00 0.00 C ATOM 791 C GLU A 54 -6.925 4.263 -6.091 1.00 0.00 C ATOM 792 O GLU A 54 -6.986 5.456 -6.311 1.00 0.00 O ATOM 793 CB GLU A 54 -7.729 3.172 -8.203 1.00 0.00 C ATOM 794 CG GLU A 54 -8.745 2.192 -8.796 1.00 0.00 C ATOM 795 CD GLU A 54 -9.565 2.899 -9.876 1.00 0.00 C ATOM 796 OE1 GLU A 54 -8.973 3.615 -10.668 1.00 0.00 O ATOM 797 OE2 GLU A 54 -10.771 2.714 -9.894 1.00 0.00 O ATOM 0 H GLU A 54 -9.960 3.562 -7.334 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.789 2.338 -6.168 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.840 4.152 -8.668 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.715 2.832 -8.415 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.230 1.330 -9.221 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.403 1.816 -8.013 1.00 0.00 H new ATOM 804 N ILE A 55 -5.987 3.752 -5.340 1.00 0.00 N ATOM 805 CA ILE A 55 -4.949 4.626 -4.720 1.00 0.00 C ATOM 806 C ILE A 55 -3.560 4.111 -5.097 1.00 0.00 C ATOM 807 O ILE A 55 -3.113 3.089 -4.603 1.00 0.00 O ATOM 808 CB ILE A 55 -5.161 4.513 -3.206 1.00 0.00 C ATOM 809 CG1 ILE A 55 -6.632 4.767 -2.859 1.00 0.00 C ATOM 810 CG2 ILE A 55 -4.289 5.546 -2.493 1.00 0.00 C ATOM 811 CD1 ILE A 55 -7.027 6.179 -3.294 1.00 0.00 C ATOM 0 H ILE A 55 -5.894 2.759 -5.128 1.00 0.00 H new ATOM 0 HA ILE A 55 -5.026 5.660 -5.058 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.886 3.509 -2.883 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.265 4.032 -3.356 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -6.788 4.649 -1.787 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.438 5.467 -1.416 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.241 5.362 -2.728 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.565 6.547 -2.825 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.073 6.357 -3.046 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.403 6.907 -2.776 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.887 6.281 -4.370 1.00 0.00 H new ATOM 823 N ASN A 56 -2.882 4.806 -5.974 1.00 0.00 N ATOM 824 CA ASN A 56 -1.520 4.371 -6.403 1.00 0.00 C ATOM 825 C ASN A 56 -0.587 4.247 -5.197 1.00 0.00 C ATOM 826 O ASN A 56 -0.661 5.015 -4.259 1.00 0.00 O ATOM 827 CB ASN A 56 -1.031 5.479 -7.338 1.00 0.00 C ATOM 828 CG ASN A 56 -2.021 5.649 -8.491 1.00 0.00 C ATOM 829 OD1 ASN A 56 -2.342 4.698 -9.177 1.00 0.00 O ATOM 830 ND2 ASN A 56 -2.522 6.828 -8.737 1.00 0.00 N ATOM 0 H ASN A 56 -3.217 5.663 -6.414 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.538 3.395 -6.888 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -0.932 6.415 -6.789 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -0.043 5.232 -7.727 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -3.183 6.951 -9.504 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -2.253 7.626 -8.162 1.00 0.00 H new ATOM 837 N ALA A 57 0.292 3.285 -5.220 1.00 0.00 N ATOM 838 CA ALA A 57 1.236 3.110 -4.079 1.00 0.00 C ATOM 839 C ALA A 57 2.130 4.349 -3.938 1.00 0.00 C ATOM 840 O ALA A 57 2.388 5.036 -4.907 1.00 0.00 O ATOM 841 CB ALA A 57 2.074 1.885 -4.445 1.00 0.00 C ATOM 0 H ALA A 57 0.399 2.612 -5.979 1.00 0.00 H new ATOM 0 HA ALA A 57 0.718 2.981 -3.129 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.796 1.688 -3.653 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.421 1.020 -4.564 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.603 2.072 -5.380 1.00 0.00 H new ATOM 847 N PRO A 58 2.578 4.596 -2.732 1.00 0.00 N ATOM 848 CA PRO A 58 3.452 5.768 -2.475 1.00 0.00 C ATOM 849 C PRO A 58 4.852 5.526 -3.049 1.00 0.00 C ATOM 850 O PRO A 58 5.510 6.439 -3.508 1.00 0.00 O ATOM 851 CB PRO A 58 3.498 5.856 -0.952 1.00 0.00 C ATOM 852 CG PRO A 58 3.204 4.470 -0.474 1.00 0.00 C ATOM 853 CD PRO A 58 2.318 3.824 -1.508 1.00 0.00 C ATOM 0 HA PRO A 58 3.086 6.684 -2.939 1.00 0.00 H new ATOM 0 HB2 PRO A 58 4.475 6.194 -0.606 1.00 0.00 H new ATOM 0 HB3 PRO A 58 2.763 6.567 -0.576 1.00 0.00 H new ATOM 0 HG2 PRO A 58 4.126 3.902 -0.348 1.00 0.00 H new ATOM 0 HG3 PRO A 58 2.709 4.494 0.497 1.00 0.00 H new ATOM 0 HD2 PRO A 58 2.563 2.770 -1.641 1.00 0.00 H new ATOM 0 HD3 PRO A 58 1.268 3.873 -1.221 1.00 0.00 H new ATOM 861 N THR A 59 5.310 4.305 -3.028 1.00 0.00 N ATOM 862 CA THR A 59 6.667 4.006 -3.573 1.00 0.00 C ATOM 863 C THR A 59 6.802 2.508 -3.864 1.00 0.00 C ATOM 864 O THR A 59 6.167 1.684 -3.236 1.00 0.00 O ATOM 865 CB THR A 59 7.638 4.427 -2.469 1.00 0.00 C ATOM 866 OG1 THR A 59 8.964 4.097 -2.858 1.00 0.00 O ATOM 867 CG2 THR A 59 7.287 3.699 -1.172 1.00 0.00 C ATOM 0 H THR A 59 4.804 3.500 -2.657 1.00 0.00 H new ATOM 0 HA THR A 59 6.861 4.530 -4.509 1.00 0.00 H new ATOM 0 HB THR A 59 7.563 5.502 -2.308 1.00 0.00 H new ATOM 0 HG1 THR A 59 9.589 4.367 -2.153 1.00 0.00 H new ATOM 0 HG21 THR A 59 7.980 4.000 -0.387 1.00 0.00 H new ATOM 0 HG22 THR A 59 6.270 3.954 -0.876 1.00 0.00 H new ATOM 0 HG23 THR A 59 7.361 2.623 -1.328 1.00 0.00 H new ATOM 875 N ASP A 60 7.624 2.151 -4.813 1.00 0.00 N ATOM 876 CA ASP A 60 7.799 0.707 -5.143 1.00 0.00 C ATOM 877 C ASP A 60 8.345 -0.052 -3.931 1.00 0.00 C ATOM 878 O ASP A 60 8.933 0.524 -3.038 1.00 0.00 O ATOM 879 CB ASP A 60 8.807 0.683 -6.293 1.00 0.00 C ATOM 880 CG ASP A 60 10.138 1.274 -5.819 1.00 0.00 C ATOM 881 OD1 ASP A 60 10.218 2.487 -5.710 1.00 0.00 O ATOM 882 OD2 ASP A 60 11.052 0.505 -5.575 1.00 0.00 O ATOM 0 H ASP A 60 8.181 2.795 -5.374 1.00 0.00 H new ATOM 0 HA ASP A 60 6.858 0.229 -5.416 1.00 0.00 H new ATOM 0 HB2 ASP A 60 8.954 -0.340 -6.640 1.00 0.00 H new ATOM 0 HB3 ASP A 60 8.424 1.254 -7.138 1.00 0.00 H new ATOM 887 N GLY A 61 8.155 -1.343 -3.895 1.00 0.00 N ATOM 888 CA GLY A 61 8.663 -2.139 -2.743 1.00 0.00 C ATOM 889 C GLY A 61 7.694 -3.287 -2.455 1.00 0.00 C ATOM 890 O GLY A 61 7.111 -3.860 -3.353 1.00 0.00 O ATOM 0 H GLY A 61 7.670 -1.880 -4.614 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.655 -2.532 -2.967 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.764 -1.503 -1.863 1.00 0.00 H new ATOM 894 N LYS A 62 7.516 -3.627 -1.207 1.00 0.00 N ATOM 895 CA LYS A 62 6.581 -4.736 -0.864 1.00 0.00 C ATOM 896 C LYS A 62 5.789 -4.383 0.395 1.00 0.00 C ATOM 897 O LYS A 62 6.197 -3.554 1.183 1.00 0.00 O ATOM 898 CB LYS A 62 7.476 -5.950 -0.613 1.00 0.00 C ATOM 899 CG LYS A 62 6.614 -7.132 -0.164 1.00 0.00 C ATOM 900 CD LYS A 62 7.242 -8.438 -0.652 1.00 0.00 C ATOM 901 CE LYS A 62 6.935 -9.556 0.346 1.00 0.00 C ATOM 902 NZ LYS A 62 8.034 -10.545 0.162 1.00 0.00 N ATOM 0 H LYS A 62 7.977 -3.185 -0.411 1.00 0.00 H new ATOM 0 HA LYS A 62 5.856 -4.925 -1.655 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.022 -6.208 -1.521 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.219 -5.717 0.150 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.529 -7.141 0.923 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.604 -7.031 -0.562 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.851 -8.697 -1.636 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.320 -8.318 -0.759 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.911 -9.178 1.368 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.962 -10.005 0.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.895 -11.344 0.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.028 -10.892 -0.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.947 -10.090 0.363 1.00 0.00 H new ATOM 916 N VAL A 63 4.658 -5.002 0.590 1.00 0.00 N ATOM 917 CA VAL A 63 3.842 -4.692 1.800 1.00 0.00 C ATOM 918 C VAL A 63 4.316 -5.524 2.995 1.00 0.00 C ATOM 919 O VAL A 63 4.274 -6.738 2.978 1.00 0.00 O ATOM 920 CB VAL A 63 2.403 -5.060 1.420 1.00 0.00 C ATOM 921 CG1 VAL A 63 1.507 -5.047 2.664 1.00 0.00 C ATOM 922 CG2 VAL A 63 1.872 -4.039 0.420 1.00 0.00 C ATOM 0 H VAL A 63 4.263 -5.707 -0.033 1.00 0.00 H new ATOM 0 HA VAL A 63 3.929 -3.646 2.094 1.00 0.00 H new ATOM 0 HB VAL A 63 2.397 -6.058 0.982 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.488 -5.310 2.381 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.880 -5.770 3.389 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.515 -4.051 3.108 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.849 -4.296 0.146 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.889 -3.046 0.870 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.498 -4.044 -0.472 1.00 0.00 H new ATOM 932 N GLU A 64 4.741 -4.874 4.041 1.00 0.00 N ATOM 933 CA GLU A 64 5.188 -5.617 5.249 1.00 0.00 C ATOM 934 C GLU A 64 3.996 -5.830 6.193 1.00 0.00 C ATOM 935 O GLU A 64 4.079 -6.573 7.152 1.00 0.00 O ATOM 936 CB GLU A 64 6.237 -4.718 5.904 1.00 0.00 C ATOM 937 CG GLU A 64 7.553 -4.821 5.131 1.00 0.00 C ATOM 938 CD GLU A 64 8.628 -5.434 6.031 1.00 0.00 C ATOM 939 OE1 GLU A 64 9.185 -4.707 6.835 1.00 0.00 O ATOM 940 OE2 GLU A 64 8.875 -6.622 5.899 1.00 0.00 O ATOM 0 H GLU A 64 4.798 -3.858 4.111 1.00 0.00 H new ATOM 0 HA GLU A 64 5.593 -6.600 5.010 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.890 -3.685 5.915 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.389 -5.015 6.942 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.417 -5.434 4.240 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.867 -3.833 4.793 1.00 0.00 H new ATOM 947 N LYS A 65 2.885 -5.182 5.930 1.00 0.00 N ATOM 948 CA LYS A 65 1.689 -5.346 6.810 1.00 0.00 C ATOM 949 C LYS A 65 0.537 -4.484 6.287 1.00 0.00 C ATOM 950 O LYS A 65 0.734 -3.586 5.492 1.00 0.00 O ATOM 951 CB LYS A 65 2.133 -4.860 8.193 1.00 0.00 C ATOM 952 CG LYS A 65 2.306 -6.061 9.125 1.00 0.00 C ATOM 953 CD LYS A 65 1.758 -5.715 10.512 1.00 0.00 C ATOM 954 CE LYS A 65 2.159 -6.806 11.507 1.00 0.00 C ATOM 955 NZ LYS A 65 1.283 -7.965 11.177 1.00 0.00 N ATOM 0 H LYS A 65 2.757 -4.547 5.142 1.00 0.00 H new ATOM 0 HA LYS A 65 1.337 -6.377 6.839 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.071 -4.310 8.113 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.394 -4.172 8.603 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.781 -6.927 8.721 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.360 -6.331 9.196 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.147 -4.750 10.838 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.672 -5.625 10.473 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.213 -7.066 11.406 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.009 -6.477 12.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.188 -8.577 12.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.344 -7.620 10.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.705 -8.508 10.397 1.00 0.00 H new ATOM 969 N VAL A 66 -0.664 -4.745 6.725 1.00 0.00 N ATOM 970 CA VAL A 66 -1.821 -3.935 6.246 1.00 0.00 C ATOM 971 C VAL A 66 -2.560 -3.314 7.435 1.00 0.00 C ATOM 972 O VAL A 66 -3.414 -3.932 8.039 1.00 0.00 O ATOM 973 CB VAL A 66 -2.723 -4.927 5.509 1.00 0.00 C ATOM 974 CG1 VAL A 66 -4.010 -4.220 5.073 1.00 0.00 C ATOM 975 CG2 VAL A 66 -1.993 -5.459 4.276 1.00 0.00 C ATOM 0 H VAL A 66 -0.894 -5.482 7.392 1.00 0.00 H new ATOM 0 HA VAL A 66 -1.511 -3.112 5.602 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.970 -5.756 6.172 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.653 -4.926 4.548 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.531 -3.839 5.951 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.763 -3.391 4.409 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.635 -6.166 3.750 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.747 -4.630 3.613 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.076 -5.961 4.585 1.00 0.00 H new ATOM 985 N LEU A 67 -2.239 -2.095 7.773 1.00 0.00 N ATOM 986 CA LEU A 67 -2.927 -1.436 8.921 1.00 0.00 C ATOM 987 C LEU A 67 -4.382 -1.134 8.556 1.00 0.00 C ATOM 988 O LEU A 67 -5.272 -1.232 9.378 1.00 0.00 O ATOM 989 CB LEU A 67 -2.150 -0.140 9.159 1.00 0.00 C ATOM 990 CG LEU A 67 -1.065 -0.380 10.210 1.00 0.00 C ATOM 991 CD1 LEU A 67 0.202 0.386 9.823 1.00 0.00 C ATOM 992 CD2 LEU A 67 -1.558 0.107 11.574 1.00 0.00 C ATOM 0 H LEU A 67 -1.532 -1.527 7.306 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.946 -2.065 9.811 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.699 0.202 8.227 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.827 0.646 9.493 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.843 -1.446 10.263 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.974 0.214 10.573 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.555 0.038 8.852 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.020 1.452 9.768 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.785 -0.064 12.323 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.782 1.172 11.521 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.459 -0.440 11.852 1.00 0.00 H new ATOM 1004 N VAL A 68 -4.633 -0.769 7.328 1.00 0.00 N ATOM 1005 CA VAL A 68 -6.031 -0.463 6.912 1.00 0.00 C ATOM 1006 C VAL A 68 -6.668 -1.691 6.254 1.00 0.00 C ATOM 1007 O VAL A 68 -6.112 -2.280 5.348 1.00 0.00 O ATOM 1008 CB VAL A 68 -5.903 0.677 5.901 1.00 0.00 C ATOM 1009 CG1 VAL A 68 -7.299 1.136 5.474 1.00 0.00 C ATOM 1010 CG2 VAL A 68 -5.155 1.847 6.544 1.00 0.00 C ATOM 0 H VAL A 68 -3.930 -0.670 6.595 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.662 -0.191 7.758 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.351 0.330 5.028 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.210 1.949 4.753 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.832 0.302 5.017 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.850 1.484 6.347 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.063 2.660 5.824 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.707 2.196 7.417 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.161 1.520 6.850 1.00 0.00 H new ATOM 1020 N LYS A 69 -7.830 -2.081 6.702 1.00 0.00 N ATOM 1021 CA LYS A 69 -8.499 -3.270 6.099 1.00 0.00 C ATOM 1022 C LYS A 69 -9.524 -2.823 5.052 1.00 0.00 C ATOM 1023 O LYS A 69 -9.590 -1.665 4.690 1.00 0.00 O ATOM 1024 CB LYS A 69 -9.193 -3.969 7.268 1.00 0.00 C ATOM 1025 CG LYS A 69 -8.414 -5.233 7.640 1.00 0.00 C ATOM 1026 CD LYS A 69 -7.455 -4.924 8.791 1.00 0.00 C ATOM 1027 CE LYS A 69 -8.186 -5.099 10.124 1.00 0.00 C ATOM 1028 NZ LYS A 69 -7.336 -4.396 11.125 1.00 0.00 N ATOM 0 H LYS A 69 -8.345 -1.629 7.458 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.795 -3.930 5.592 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.250 -3.298 8.125 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -10.217 -4.226 6.996 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -9.104 -6.025 7.931 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.857 -5.596 6.777 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -6.592 -5.588 8.747 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -7.078 -3.905 8.701 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -9.187 -4.669 10.085 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.302 -6.153 10.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -7.773 -4.472 12.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -6.392 -4.831 11.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -7.249 -3.393 10.864 1.00 0.00 H new ATOM 1042 N GLU A 70 -10.323 -3.732 4.563 1.00 0.00 N ATOM 1043 CA GLU A 70 -11.339 -3.355 3.538 1.00 0.00 C ATOM 1044 C GLU A 70 -12.608 -2.831 4.217 1.00 0.00 C ATOM 1045 O GLU A 70 -13.096 -3.405 5.169 1.00 0.00 O ATOM 1046 CB GLU A 70 -11.632 -4.646 2.773 1.00 0.00 C ATOM 1047 CG GLU A 70 -11.842 -4.325 1.293 1.00 0.00 C ATOM 1048 CD GLU A 70 -13.213 -4.838 0.848 1.00 0.00 C ATOM 1049 OE1 GLU A 70 -13.292 -5.990 0.451 1.00 0.00 O ATOM 1050 OE2 GLU A 70 -14.160 -4.072 0.911 1.00 0.00 O ATOM 0 H GLU A 70 -10.317 -4.717 4.828 1.00 0.00 H new ATOM 0 HA GLU A 70 -10.984 -2.564 2.878 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -10.805 -5.346 2.890 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -12.520 -5.129 3.181 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -11.774 -3.249 1.130 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -11.057 -4.788 0.695 1.00 0.00 H new ATOM 1057 N ARG A 71 -13.144 -1.743 3.732 1.00 0.00 N ATOM 1058 CA ARG A 71 -14.382 -1.181 4.349 1.00 0.00 C ATOM 1059 C ARG A 71 -14.193 -1.012 5.860 1.00 0.00 C ATOM 1060 O ARG A 71 -15.073 -1.313 6.642 1.00 0.00 O ATOM 1061 CB ARG A 71 -15.473 -2.211 4.056 1.00 0.00 C ATOM 1062 CG ARG A 71 -16.079 -1.935 2.678 1.00 0.00 C ATOM 1063 CD ARG A 71 -16.774 -3.199 2.164 1.00 0.00 C ATOM 1064 NE ARG A 71 -17.985 -3.344 3.018 1.00 0.00 N ATOM 1065 CZ ARG A 71 -18.226 -4.476 3.622 1.00 0.00 C ATOM 1066 NH1 ARG A 71 -17.283 -5.065 4.306 1.00 0.00 N ATOM 1067 NH2 ARG A 71 -19.409 -5.019 3.540 1.00 0.00 N ATOM 0 H ARG A 71 -12.779 -1.219 2.936 1.00 0.00 H new ATOM 0 HA ARG A 71 -14.632 -0.198 3.950 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -15.055 -3.217 4.086 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -16.247 -2.164 4.822 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -16.793 -1.114 2.741 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -15.300 -1.627 1.981 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -17.042 -3.103 1.112 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -16.124 -4.070 2.249 1.00 0.00 H new ATOM 0 HE ARG A 71 -18.626 -2.559 3.131 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -16.358 -4.641 4.369 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -17.472 -5.949 4.778 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -20.145 -4.559 3.004 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -19.598 -5.903 4.012 1.00 0.00 H new ATOM 1081 N ASP A 72 -13.051 -0.535 6.275 1.00 0.00 N ATOM 1082 CA ASP A 72 -12.806 -0.349 7.734 1.00 0.00 C ATOM 1083 C ASP A 72 -12.906 1.133 8.105 1.00 0.00 C ATOM 1084 O ASP A 72 -13.167 1.481 9.239 1.00 0.00 O ATOM 1085 CB ASP A 72 -11.386 -0.866 7.968 1.00 0.00 C ATOM 1086 CG ASP A 72 -11.302 -1.522 9.347 1.00 0.00 C ATOM 1087 OD1 ASP A 72 -11.324 -0.797 10.328 1.00 0.00 O ATOM 1088 OD2 ASP A 72 -11.218 -2.737 9.399 1.00 0.00 O ATOM 0 H ASP A 72 -12.277 -0.266 5.667 1.00 0.00 H new ATOM 0 HA ASP A 72 -13.538 -0.878 8.345 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -11.118 -1.586 7.194 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -10.673 -0.044 7.900 1.00 0.00 H new ATOM 1093 N ALA A 73 -12.700 2.010 7.155 1.00 0.00 N ATOM 1094 CA ALA A 73 -12.780 3.476 7.446 1.00 0.00 C ATOM 1095 C ALA A 73 -11.736 3.867 8.497 1.00 0.00 C ATOM 1096 O ALA A 73 -11.771 3.413 9.623 1.00 0.00 O ATOM 1097 CB ALA A 73 -14.196 3.712 7.980 1.00 0.00 C ATOM 0 H ALA A 73 -12.479 1.774 6.188 1.00 0.00 H new ATOM 0 HA ALA A 73 -12.580 4.078 6.559 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -14.325 4.769 8.215 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -14.924 3.417 7.224 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -14.348 3.119 8.882 1.00 0.00 H new ATOM 1103 N VAL A 74 -10.805 4.709 8.138 1.00 0.00 N ATOM 1104 CA VAL A 74 -9.759 5.128 9.116 1.00 0.00 C ATOM 1105 C VAL A 74 -9.737 6.653 9.251 1.00 0.00 C ATOM 1106 O VAL A 74 -10.523 7.352 8.642 1.00 0.00 O ATOM 1107 CB VAL A 74 -8.444 4.623 8.526 1.00 0.00 C ATOM 1108 CG1 VAL A 74 -8.477 3.095 8.438 1.00 0.00 C ATOM 1109 CG2 VAL A 74 -8.256 5.210 7.126 1.00 0.00 C ATOM 0 H VAL A 74 -10.723 5.125 7.210 1.00 0.00 H new ATOM 0 HA VAL A 74 -9.941 4.726 10.113 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.617 4.932 9.165 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.539 2.734 8.017 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.612 2.676 9.435 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -9.304 2.785 7.799 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.318 4.850 6.704 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -9.084 4.901 6.488 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -8.233 6.298 7.188 1.00 0.00 H new ATOM 1119 N GLN A 75 -8.840 7.175 10.043 1.00 0.00 N ATOM 1120 CA GLN A 75 -8.766 8.656 10.214 1.00 0.00 C ATOM 1121 C GLN A 75 -7.367 9.162 9.852 1.00 0.00 C ATOM 1122 O GLN A 75 -6.421 8.403 9.784 1.00 0.00 O ATOM 1123 CB GLN A 75 -9.059 8.897 11.696 1.00 0.00 C ATOM 1124 CG GLN A 75 -10.169 9.941 11.835 1.00 0.00 C ATOM 1125 CD GLN A 75 -10.271 10.387 13.295 1.00 0.00 C ATOM 1126 OE1 GLN A 75 -9.620 11.329 13.701 1.00 0.00 O ATOM 1127 NE2 GLN A 75 -11.066 9.744 14.106 1.00 0.00 N ATOM 0 H GLN A 75 -8.156 6.641 10.579 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.469 9.183 9.569 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -9.360 7.965 12.174 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -8.158 9.239 12.205 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -9.958 10.798 11.196 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -11.120 9.523 11.504 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -11.612 8.953 13.764 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -11.141 10.032 15.082 1.00 0.00 H new ATOM 1136 N GLY A 76 -7.229 10.438 9.617 1.00 0.00 N ATOM 1137 CA GLY A 76 -5.892 10.991 9.258 1.00 0.00 C ATOM 1138 C GLY A 76 -4.947 10.866 10.454 1.00 0.00 C ATOM 1139 O GLY A 76 -5.354 10.966 11.594 1.00 0.00 O ATOM 0 H GLY A 76 -7.985 11.122 9.658 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.484 10.455 8.401 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -5.987 12.036 8.964 1.00 0.00 H new ATOM 1143 N GLY A 77 -3.685 10.647 10.202 1.00 0.00 N ATOM 1144 CA GLY A 77 -2.714 10.516 11.324 1.00 0.00 C ATOM 1145 C GLY A 77 -2.584 9.044 11.720 1.00 0.00 C ATOM 1146 O GLY A 77 -2.448 8.714 12.882 1.00 0.00 O ATOM 0 H GLY A 77 -3.285 10.553 9.268 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.743 10.910 11.026 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.048 11.105 12.178 1.00 0.00 H new ATOM 1150 N GLN A 78 -2.622 8.157 10.765 1.00 0.00 N ATOM 1151 CA GLN A 78 -2.500 6.706 11.088 1.00 0.00 C ATOM 1152 C GLN A 78 -1.766 5.974 9.961 1.00 0.00 C ATOM 1153 O GLN A 78 -2.074 6.139 8.797 1.00 0.00 O ATOM 1154 CB GLN A 78 -3.940 6.204 11.206 1.00 0.00 C ATOM 1155 CG GLN A 78 -3.949 4.826 11.871 1.00 0.00 C ATOM 1156 CD GLN A 78 -4.963 4.819 13.017 1.00 0.00 C ATOM 1157 OE1 GLN A 78 -4.698 5.341 14.082 1.00 0.00 O ATOM 1158 NE2 GLN A 78 -6.121 4.243 12.843 1.00 0.00 N ATOM 0 H GLN A 78 -2.732 8.373 9.774 1.00 0.00 H new ATOM 0 HA GLN A 78 -1.932 6.532 12.002 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.534 6.906 11.792 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -4.398 6.146 10.219 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -4.205 4.059 11.140 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -2.955 4.586 12.249 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -6.343 3.805 11.949 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -6.804 4.231 13.601 1.00 0.00 H new ATOM 1167 N GLY A 79 -0.796 5.169 10.298 1.00 0.00 N ATOM 1168 CA GLY A 79 -0.040 4.429 9.246 1.00 0.00 C ATOM 1169 C GLY A 79 -1.017 3.657 8.356 1.00 0.00 C ATOM 1170 O GLY A 79 -1.685 2.743 8.799 1.00 0.00 O ATOM 0 H GLY A 79 -0.494 4.991 11.256 1.00 0.00 H new ATOM 0 HA2 GLY A 79 0.542 5.127 8.644 1.00 0.00 H new ATOM 0 HA3 GLY A 79 0.667 3.741 9.709 1.00 0.00 H new ATOM 1174 N LEU A 80 -1.106 4.016 7.105 1.00 0.00 N ATOM 1175 CA LEU A 80 -2.039 3.302 6.187 1.00 0.00 C ATOM 1176 C LEU A 80 -1.528 1.887 5.906 1.00 0.00 C ATOM 1177 O LEU A 80 -2.204 0.910 6.158 1.00 0.00 O ATOM 1178 CB LEU A 80 -2.046 4.133 4.904 1.00 0.00 C ATOM 1179 CG LEU A 80 -2.956 5.350 5.085 1.00 0.00 C ATOM 1180 CD1 LEU A 80 -2.641 6.385 4.005 1.00 0.00 C ATOM 1181 CD2 LEU A 80 -4.419 4.917 4.966 1.00 0.00 C ATOM 0 H LEU A 80 -0.573 4.773 6.678 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.037 3.200 6.613 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.033 4.456 4.663 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.395 3.527 4.068 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.787 5.787 6.069 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.288 7.253 4.133 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.599 6.694 4.090 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.810 5.947 3.021 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -5.067 5.784 5.095 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.590 4.479 3.982 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.644 4.179 5.736 1.00 0.00 H new ATOM 1193 N ILE A 81 -0.336 1.769 5.385 1.00 0.00 N ATOM 1194 CA ILE A 81 0.219 0.417 5.087 1.00 0.00 C ATOM 1195 C ILE A 81 1.701 0.354 5.470 1.00 0.00 C ATOM 1196 O ILE A 81 2.321 1.360 5.755 1.00 0.00 O ATOM 1197 CB ILE A 81 0.047 0.239 3.577 1.00 0.00 C ATOM 1198 CG1 ILE A 81 0.721 1.402 2.845 1.00 0.00 C ATOM 1199 CG2 ILE A 81 -1.443 0.216 3.231 1.00 0.00 C ATOM 1200 CD1 ILE A 81 1.247 0.916 1.493 1.00 0.00 C ATOM 0 H ILE A 81 0.277 2.550 5.153 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.287 -0.368 5.650 1.00 0.00 H new ATOM 0 HB ILE A 81 0.506 -0.700 3.269 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.010 2.215 2.700 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.540 1.798 3.445 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -1.565 0.089 2.155 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.924 -0.612 3.751 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -1.903 1.155 3.540 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.727 1.743 0.971 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.971 0.117 1.650 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.418 0.541 0.893 1.00 0.00 H new ATOM 1212 N LYS A 82 2.273 -0.819 5.481 1.00 0.00 N ATOM 1213 CA LYS A 82 3.714 -0.944 5.845 1.00 0.00 C ATOM 1214 C LYS A 82 4.536 -1.352 4.620 1.00 0.00 C ATOM 1215 O LYS A 82 4.096 -2.130 3.797 1.00 0.00 O ATOM 1216 CB LYS A 82 3.759 -2.043 6.909 1.00 0.00 C ATOM 1217 CG LYS A 82 4.819 -1.701 7.958 1.00 0.00 C ATOM 1218 CD LYS A 82 4.200 -1.783 9.355 1.00 0.00 C ATOM 1219 CE LYS A 82 5.307 -1.741 10.413 1.00 0.00 C ATOM 1220 NZ LYS A 82 6.214 -2.879 10.080 1.00 0.00 N ATOM 0 H LYS A 82 1.805 -1.696 5.254 1.00 0.00 H new ATOM 0 HA LYS A 82 4.131 -0.005 6.209 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.783 -2.144 7.384 1.00 0.00 H new ATOM 0 HB3 LYS A 82 3.988 -3.002 6.445 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.659 -2.391 7.880 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.211 -0.700 7.781 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.508 -0.955 9.506 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.623 -2.703 9.454 1.00 0.00 H new ATOM 0 HE2 LYS A 82 5.841 -0.791 10.386 1.00 0.00 H new ATOM 0 HE3 LYS A 82 4.896 -1.847 11.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 6.616 -3.270 10.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 5.676 -3.619 9.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.983 -2.542 9.466 1.00 0.00 H new ATOM 1234 N ILE A 83 5.728 -0.835 4.492 1.00 0.00 N ATOM 1235 CA ILE A 83 6.575 -1.197 3.318 1.00 0.00 C ATOM 1236 C ILE A 83 8.035 -1.366 3.748 1.00 0.00 C ATOM 1237 O ILE A 83 8.438 -0.920 4.805 1.00 0.00 O ATOM 1238 CB ILE A 83 6.436 -0.027 2.343 1.00 0.00 C ATOM 1239 CG1 ILE A 83 6.792 1.281 3.056 1.00 0.00 C ATOM 1240 CG2 ILE A 83 4.996 0.045 1.834 1.00 0.00 C ATOM 1241 CD1 ILE A 83 6.670 2.449 2.074 1.00 0.00 C ATOM 0 H ILE A 83 6.152 -0.179 5.148 1.00 0.00 H new ATOM 0 HA ILE A 83 6.265 -2.139 2.866 1.00 0.00 H new ATOM 0 HB ILE A 83 7.112 -0.176 1.501 1.00 0.00 H new ATOM 0 HG12 ILE A 83 6.128 1.436 3.906 1.00 0.00 H new ATOM 0 HG13 ILE A 83 7.807 1.228 3.450 1.00 0.00 H new ATOM 0 HG21 ILE A 83 4.897 0.879 1.139 1.00 0.00 H new ATOM 0 HG22 ILE A 83 4.744 -0.885 1.324 1.00 0.00 H new ATOM 0 HG23 ILE A 83 4.319 0.192 2.676 1.00 0.00 H new ATOM 0 HD11 ILE A 83 6.923 3.379 2.582 1.00 0.00 H new ATOM 0 HD12 ILE A 83 7.352 2.294 1.238 1.00 0.00 H new ATOM 0 HD13 ILE A 83 5.647 2.506 1.702 1.00 0.00 H new ATOM 1253 N GLY A 84 8.830 -2.009 2.937 1.00 0.00 N ATOM 1254 CA GLY A 84 10.262 -2.208 3.297 1.00 0.00 C ATOM 1255 C GLY A 84 10.521 -3.691 3.562 1.00 0.00 C ATOM 1256 O GLY A 84 9.592 -4.470 3.418 1.00 0.00 O ATOM 1257 OXT GLY A 84 11.643 -4.026 3.904 1.00 0.00 O ATOM 0 H GLY A 84 8.549 -2.405 2.040 1.00 0.00 H new ATOM 0 HA2 GLY A 84 10.903 -1.855 2.489 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.510 -1.621 4.181 1.00 0.00 H new