USER MOD reduce.3.24.130724 H: found=0, std=0, add=509, rem=0, adj=6 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 Set 1.1: A 75 GLN : amide:sc= -0.215 K(o=-0.21,f=0.42) USER MOD Set 1.2: A 78 GLN : amide:sc= 0 K(o=-0.21,f=0.71) USER MOD Single : A 25 THR OG1 : rot -128:sc= -0.921 USER MOD Single : A 27 SER OG : rot 180:sc= -0.0352 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 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0648 USER MOD Single : A 53 THR OG1 : rot 36:sc= 0.424 USER MOD Single : A 56 ASN : amide:sc= -0.372 K(o=-0.37,f=-3.3!) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.333 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 189 N ALA A 13 1.710 5.720 13.005 1.00 0.00 N ATOM 190 CA ALA A 13 2.533 4.932 12.043 1.00 0.00 C ATOM 191 C ALA A 13 3.877 4.552 12.671 1.00 0.00 C ATOM 192 O ALA A 13 4.083 4.705 13.859 1.00 0.00 O ATOM 193 CB ALA A 13 2.747 5.863 10.849 1.00 0.00 C ATOM 0 HA ALA A 13 2.045 4.001 11.756 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.346 5.354 10.094 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.782 6.136 10.423 1.00 0.00 H new ATOM 0 HB3 ALA A 13 3.266 6.763 11.178 1.00 0.00 H new ATOM 199 N GLY A 14 4.792 4.056 11.881 1.00 0.00 N ATOM 200 CA GLY A 14 6.122 3.667 12.431 1.00 0.00 C ATOM 201 C GLY A 14 7.181 3.768 11.332 1.00 0.00 C ATOM 202 O GLY A 14 6.941 4.314 10.273 1.00 0.00 O ATOM 0 H GLY A 14 4.675 3.904 10.879 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.386 4.317 13.265 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.083 2.649 12.820 1.00 0.00 H new ATOM 206 N GLU A 15 8.354 3.248 11.574 1.00 0.00 N ATOM 207 CA GLU A 15 9.430 3.317 10.543 1.00 0.00 C ATOM 208 C GLU A 15 9.182 2.278 9.447 1.00 0.00 C ATOM 209 O GLU A 15 9.801 1.233 9.420 1.00 0.00 O ATOM 210 CB GLU A 15 10.721 2.999 11.294 1.00 0.00 C ATOM 211 CG GLU A 15 11.180 4.232 12.073 1.00 0.00 C ATOM 212 CD GLU A 15 12.562 3.970 12.676 1.00 0.00 C ATOM 213 OE1 GLU A 15 12.617 3.444 13.776 1.00 0.00 O ATOM 214 OE2 GLU A 15 13.542 4.299 12.027 1.00 0.00 O ATOM 0 H GLU A 15 8.614 2.778 12.441 1.00 0.00 H new ATOM 0 HA GLU A 15 9.470 4.291 10.056 1.00 0.00 H new ATOM 0 HB2 GLU A 15 10.560 2.165 11.977 1.00 0.00 H new ATOM 0 HB3 GLU A 15 11.496 2.691 10.592 1.00 0.00 H new ATOM 0 HG2 GLU A 15 11.218 5.099 11.413 1.00 0.00 H new ATOM 0 HG3 GLU A 15 10.465 4.463 12.863 1.00 0.00 H new ATOM 221 N GLY A 16 8.286 2.555 8.540 1.00 0.00 N ATOM 222 CA GLY A 16 8.006 1.580 7.448 1.00 0.00 C ATOM 223 C GLY A 16 6.547 1.704 7.005 1.00 0.00 C ATOM 224 O GLY A 16 6.186 1.304 5.916 1.00 0.00 O ATOM 0 H GLY A 16 7.736 3.413 8.508 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.669 1.766 6.603 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.206 0.566 7.793 1.00 0.00 H new ATOM 228 N GLU A 17 5.705 2.253 7.837 1.00 0.00 N ATOM 229 CA GLU A 17 4.271 2.397 7.454 1.00 0.00 C ATOM 230 C GLU A 17 4.004 3.808 6.922 1.00 0.00 C ATOM 231 O GLU A 17 4.841 4.685 7.011 1.00 0.00 O ATOM 232 CB GLU A 17 3.492 2.157 8.747 1.00 0.00 C ATOM 233 CG GLU A 17 3.462 0.658 9.054 1.00 0.00 C ATOM 234 CD GLU A 17 4.245 0.386 10.340 1.00 0.00 C ATOM 235 OE1 GLU A 17 5.454 0.242 10.254 1.00 0.00 O ATOM 236 OE2 GLU A 17 3.623 0.327 11.388 1.00 0.00 O ATOM 0 H GLU A 17 5.946 2.607 8.763 1.00 0.00 H new ATOM 0 HA GLU A 17 3.982 1.701 6.667 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.958 2.698 9.570 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.476 2.539 8.648 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.432 0.319 9.164 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.896 0.097 8.226 1.00 0.00 H new ATOM 243 N ILE A 18 2.844 4.032 6.370 1.00 0.00 N ATOM 244 CA ILE A 18 2.523 5.386 5.831 1.00 0.00 C ATOM 245 C ILE A 18 1.229 5.913 6.472 1.00 0.00 C ATOM 246 O ILE A 18 0.244 5.204 6.533 1.00 0.00 O ATOM 247 CB ILE A 18 2.331 5.182 4.327 1.00 0.00 C ATOM 248 CG1 ILE A 18 3.561 4.483 3.741 1.00 0.00 C ATOM 249 CG2 ILE A 18 2.152 6.541 3.649 1.00 0.00 C ATOM 250 CD1 ILE A 18 3.221 3.021 3.441 1.00 0.00 C ATOM 0 H ILE A 18 2.104 3.337 6.268 1.00 0.00 H new ATOM 0 HA ILE A 18 3.307 6.113 6.044 1.00 0.00 H new ATOM 0 HB ILE A 18 1.448 4.567 4.156 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.880 4.988 2.829 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.393 4.538 4.443 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.015 6.398 2.577 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.277 7.042 4.063 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.037 7.154 3.823 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.096 2.522 3.024 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.923 2.520 4.362 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.402 2.978 2.723 1.00 0.00 H new ATOM 262 N PRO A 19 1.267 7.142 6.932 1.00 0.00 N ATOM 263 CA PRO A 19 0.071 7.744 7.572 1.00 0.00 C ATOM 264 C PRO A 19 -0.980 8.108 6.518 1.00 0.00 C ATOM 265 O PRO A 19 -0.680 8.727 5.517 1.00 0.00 O ATOM 266 CB PRO A 19 0.616 9.000 8.247 1.00 0.00 C ATOM 267 CG PRO A 19 1.848 9.354 7.473 1.00 0.00 C ATOM 268 CD PRO A 19 2.404 8.074 6.906 1.00 0.00 C ATOM 0 HA PRO A 19 -0.422 7.068 8.271 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -0.113 9.810 8.220 1.00 0.00 H new ATOM 0 HB3 PRO A 19 0.849 8.815 9.296 1.00 0.00 H new ATOM 0 HG2 PRO A 19 1.611 10.057 6.674 1.00 0.00 H new ATOM 0 HG3 PRO A 19 2.581 9.839 8.118 1.00 0.00 H new ATOM 0 HD2 PRO A 19 2.778 8.217 5.892 1.00 0.00 H new ATOM 0 HD3 PRO A 19 3.237 7.703 7.503 1.00 0.00 H new ATOM 276 N ALA A 20 -2.210 7.731 6.738 1.00 0.00 N ATOM 277 CA ALA A 20 -3.279 8.059 5.749 1.00 0.00 C ATOM 278 C ALA A 20 -3.319 9.574 5.494 1.00 0.00 C ATOM 279 O ALA A 20 -3.219 10.355 6.419 1.00 0.00 O ATOM 280 CB ALA A 20 -4.580 7.594 6.405 1.00 0.00 C ATOM 0 H ALA A 20 -2.522 7.211 7.558 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.112 7.578 4.785 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.418 7.801 5.739 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.527 6.523 6.600 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.724 8.127 7.345 1.00 0.00 H new ATOM 286 N PRO A 21 -3.461 9.945 4.242 1.00 0.00 N ATOM 287 CA PRO A 21 -3.511 11.384 3.883 1.00 0.00 C ATOM 288 C PRO A 21 -4.878 11.986 4.230 1.00 0.00 C ATOM 289 O PRO A 21 -5.886 11.637 3.650 1.00 0.00 O ATOM 290 CB PRO A 21 -3.289 11.385 2.373 1.00 0.00 C ATOM 291 CG PRO A 21 -3.742 10.036 1.906 1.00 0.00 C ATOM 292 CD PRO A 21 -3.585 9.079 3.061 1.00 0.00 C ATOM 0 HA PRO A 21 -2.775 11.980 4.422 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -3.859 12.180 1.892 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -2.240 11.554 2.130 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -4.781 10.073 1.578 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -3.149 9.707 1.052 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.444 8.414 3.145 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -2.705 8.448 2.937 1.00 0.00 H new ATOM 300 N LEU A 22 -4.915 12.894 5.170 1.00 0.00 N ATOM 301 CA LEU A 22 -6.211 13.529 5.554 1.00 0.00 C ATOM 302 C LEU A 22 -7.285 12.466 5.803 1.00 0.00 C ATOM 303 O LEU A 22 -8.387 12.556 5.300 1.00 0.00 O ATOM 304 CB LEU A 22 -6.593 14.402 4.357 1.00 0.00 C ATOM 305 CG LEU A 22 -5.888 15.757 4.464 1.00 0.00 C ATOM 306 CD1 LEU A 22 -6.341 16.468 5.740 1.00 0.00 C ATOM 307 CD2 LEU A 22 -4.374 15.544 4.507 1.00 0.00 C ATOM 0 H LEU A 22 -4.102 13.224 5.690 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.124 14.105 6.475 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -6.311 13.906 3.428 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.673 14.544 4.328 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.143 16.368 3.598 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -5.839 17.433 5.817 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.420 16.621 5.708 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.087 15.857 6.606 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.873 16.509 4.583 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.117 14.932 5.372 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.052 15.039 3.597 1.00 0.00 H new ATOM 319 N ALA A 23 -6.978 11.463 6.579 1.00 0.00 N ATOM 320 CA ALA A 23 -7.986 10.398 6.863 1.00 0.00 C ATOM 321 C ALA A 23 -8.609 9.888 5.559 1.00 0.00 C ATOM 322 O ALA A 23 -8.014 9.967 4.503 1.00 0.00 O ATOM 323 CB ALA A 23 -9.046 11.080 7.730 1.00 0.00 C ATOM 0 H ALA A 23 -6.072 11.333 7.030 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.542 9.535 7.359 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.826 10.362 7.983 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.584 11.451 8.645 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -9.484 11.913 7.181 1.00 0.00 H new ATOM 329 N GLY A 24 -9.805 9.366 5.626 1.00 0.00 N ATOM 330 CA GLY A 24 -10.464 8.853 4.392 1.00 0.00 C ATOM 331 C GLY A 24 -11.265 7.594 4.725 1.00 0.00 C ATOM 332 O GLY A 24 -11.196 7.075 5.822 1.00 0.00 O ATOM 0 H GLY A 24 -10.353 9.273 6.481 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.122 9.615 3.975 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -9.714 8.629 3.633 1.00 0.00 H new ATOM 336 N THR A 25 -12.028 7.099 3.789 1.00 0.00 N ATOM 337 CA THR A 25 -12.834 5.873 4.053 1.00 0.00 C ATOM 338 C THR A 25 -12.313 4.705 3.213 1.00 0.00 C ATOM 339 O THR A 25 -12.426 4.700 2.003 1.00 0.00 O ATOM 340 CB THR A 25 -14.259 6.238 3.637 1.00 0.00 C ATOM 341 OG1 THR A 25 -14.286 6.519 2.244 1.00 0.00 O ATOM 342 CG2 THR A 25 -14.722 7.468 4.416 1.00 0.00 C ATOM 0 H THR A 25 -12.128 7.491 2.853 1.00 0.00 H new ATOM 0 HA THR A 25 -12.781 5.562 5.096 1.00 0.00 H new ATOM 0 HB THR A 25 -14.926 5.403 3.853 1.00 0.00 H new ATOM 0 HG1 THR A 25 -14.708 7.391 2.094 1.00 0.00 H new ATOM 0 HG21 THR A 25 -15.738 7.726 4.118 1.00 0.00 H new ATOM 0 HG22 THR A 25 -14.701 7.251 5.484 1.00 0.00 H new ATOM 0 HG23 THR A 25 -14.057 8.305 4.203 1.00 0.00 H new ATOM 350 N VAL A 26 -11.745 3.714 3.843 1.00 0.00 N ATOM 351 CA VAL A 26 -11.221 2.546 3.079 1.00 0.00 C ATOM 352 C VAL A 26 -12.379 1.648 2.637 1.00 0.00 C ATOM 353 O VAL A 26 -13.037 1.026 3.447 1.00 0.00 O ATOM 354 CB VAL A 26 -10.310 1.803 4.057 1.00 0.00 C ATOM 355 CG1 VAL A 26 -9.611 0.652 3.331 1.00 0.00 C ATOM 356 CG2 VAL A 26 -9.260 2.765 4.613 1.00 0.00 C ATOM 0 H VAL A 26 -11.621 3.662 4.854 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.686 2.848 2.178 1.00 0.00 H new ATOM 0 HB VAL A 26 -10.909 1.407 4.877 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.962 0.123 4.028 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -10.358 -0.037 2.937 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.014 1.049 2.510 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.612 2.233 5.310 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.662 3.164 3.794 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.756 3.585 5.133 1.00 0.00 H new ATOM 366 N SER A 27 -12.636 1.578 1.359 1.00 0.00 N ATOM 367 CA SER A 27 -13.756 0.721 0.873 1.00 0.00 C ATOM 368 C SER A 27 -13.222 -0.440 0.024 1.00 0.00 C ATOM 369 O SER A 27 -13.953 -1.345 -0.328 1.00 0.00 O ATOM 370 CB SER A 27 -14.622 1.649 0.024 1.00 0.00 C ATOM 371 OG SER A 27 -15.397 0.871 -0.879 1.00 0.00 O ATOM 0 H SER A 27 -12.121 2.075 0.632 1.00 0.00 H new ATOM 0 HA SER A 27 -14.314 0.274 1.696 1.00 0.00 H new ATOM 0 HB2 SER A 27 -15.275 2.243 0.664 1.00 0.00 H new ATOM 0 HB3 SER A 27 -13.994 2.349 -0.527 1.00 0.00 H new ATOM 0 HG SER A 27 -15.956 1.463 -1.425 1.00 0.00 H new ATOM 377 N LYS A 28 -11.959 -0.427 -0.310 1.00 0.00 N ATOM 378 CA LYS A 28 -11.398 -1.535 -1.133 1.00 0.00 C ATOM 379 C LYS A 28 -9.870 -1.459 -1.156 1.00 0.00 C ATOM 380 O LYS A 28 -9.289 -0.399 -1.040 1.00 0.00 O ATOM 381 CB LYS A 28 -11.967 -1.313 -2.535 1.00 0.00 C ATOM 382 CG LYS A 28 -11.794 -2.589 -3.362 1.00 0.00 C ATOM 383 CD LYS A 28 -13.169 -3.135 -3.755 1.00 0.00 C ATOM 384 CE LYS A 28 -13.019 -4.572 -4.260 1.00 0.00 C ATOM 385 NZ LYS A 28 -13.175 -5.423 -3.048 1.00 0.00 N ATOM 0 H LYS A 28 -11.294 0.301 -0.049 1.00 0.00 H new ATOM 0 HA LYS A 28 -11.659 -2.516 -0.736 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -13.022 -1.047 -2.473 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -11.456 -0.481 -3.019 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -11.206 -2.379 -4.255 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -11.245 -3.335 -2.788 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -13.842 -3.107 -2.898 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -13.613 -2.510 -4.530 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -13.775 -4.808 -5.009 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.047 -4.727 -4.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -13.085 -6.425 -3.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.438 -5.180 -2.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -14.112 -5.260 -2.627 1.00 0.00 H new ATOM 399 N ILE A 29 -9.214 -2.578 -1.305 1.00 0.00 N ATOM 400 CA ILE A 29 -7.724 -2.570 -1.336 1.00 0.00 C ATOM 401 C ILE A 29 -7.218 -3.272 -2.599 1.00 0.00 C ATOM 402 O ILE A 29 -7.807 -4.226 -3.068 1.00 0.00 O ATOM 403 CB ILE A 29 -7.298 -3.344 -0.086 1.00 0.00 C ATOM 404 CG1 ILE A 29 -5.773 -3.481 -0.067 1.00 0.00 C ATOM 405 CG2 ILE A 29 -7.933 -4.735 -0.104 1.00 0.00 C ATOM 406 CD1 ILE A 29 -5.292 -3.633 1.378 1.00 0.00 C ATOM 0 H ILE A 29 -9.645 -3.497 -1.407 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.316 -1.559 -1.349 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.627 -2.806 0.803 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.468 -4.346 -0.656 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.313 -2.605 -0.524 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -7.629 -5.285 0.786 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -9.019 -4.639 -0.118 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.605 -5.273 -0.993 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.206 -3.731 1.392 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.585 -2.755 1.953 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.742 -4.522 1.820 1.00 0.00 H new ATOM 418 N LEU A 30 -6.131 -2.808 -3.152 1.00 0.00 N ATOM 419 CA LEU A 30 -5.589 -3.449 -4.384 1.00 0.00 C ATOM 420 C LEU A 30 -4.320 -4.239 -4.052 1.00 0.00 C ATOM 421 O LEU A 30 -4.122 -5.340 -4.525 1.00 0.00 O ATOM 422 CB LEU A 30 -5.266 -2.288 -5.325 1.00 0.00 C ATOM 423 CG LEU A 30 -6.366 -2.161 -6.381 1.00 0.00 C ATOM 424 CD1 LEU A 30 -6.445 -3.456 -7.194 1.00 0.00 C ATOM 425 CD2 LEU A 30 -7.707 -1.908 -5.691 1.00 0.00 C ATOM 0 H LEU A 30 -5.595 -2.013 -2.804 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.294 -4.151 -4.830 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.183 -1.360 -4.759 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.303 -2.455 -5.807 1.00 0.00 H new ATOM 0 HG LEU A 30 -6.137 -1.329 -7.047 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.229 -3.366 -7.946 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.489 -3.636 -7.685 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.674 -4.289 -6.530 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.491 -1.817 -6.442 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.936 -2.740 -5.025 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.650 -0.986 -5.113 1.00 0.00 H new ATOM 437 N VAL A 31 -3.461 -3.686 -3.240 1.00 0.00 N ATOM 438 CA VAL A 31 -2.206 -4.406 -2.876 1.00 0.00 C ATOM 439 C VAL A 31 -2.521 -5.580 -1.943 1.00 0.00 C ATOM 440 O VAL A 31 -3.597 -5.670 -1.386 1.00 0.00 O ATOM 441 CB VAL A 31 -1.345 -3.366 -2.159 1.00 0.00 C ATOM 442 CG1 VAL A 31 -2.093 -2.842 -0.932 1.00 0.00 C ATOM 443 CG2 VAL A 31 -0.029 -4.009 -1.718 1.00 0.00 C ATOM 0 H VAL A 31 -3.573 -2.767 -2.812 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.700 -4.821 -3.748 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.136 -2.539 -2.837 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.479 -2.100 -0.421 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.030 -2.383 -1.246 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.303 -3.669 -0.254 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.585 -3.267 -1.207 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.238 -4.837 -1.040 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.505 -4.382 -2.592 1.00 0.00 H new ATOM 453 N LYS A 32 -1.591 -6.478 -1.771 1.00 0.00 N ATOM 454 CA LYS A 32 -1.837 -7.645 -0.874 1.00 0.00 C ATOM 455 C LYS A 32 -0.574 -7.971 -0.071 1.00 0.00 C ATOM 456 O LYS A 32 0.512 -7.541 -0.404 1.00 0.00 O ATOM 457 CB LYS A 32 -2.188 -8.799 -1.815 1.00 0.00 C ATOM 458 CG LYS A 32 -2.965 -9.873 -1.048 1.00 0.00 C ATOM 459 CD LYS A 32 -3.596 -10.855 -2.040 1.00 0.00 C ATOM 460 CE LYS A 32 -3.754 -12.224 -1.375 1.00 0.00 C ATOM 461 NZ LYS A 32 -3.830 -13.194 -2.503 1.00 0.00 N ATOM 0 H LYS A 32 -0.671 -6.455 -2.212 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.630 -7.452 -0.152 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -2.785 -8.431 -2.650 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.278 -9.226 -2.237 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -2.298 -10.404 -0.369 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -3.739 -9.410 -0.437 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.567 -10.484 -2.367 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.972 -10.941 -2.929 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -2.911 -12.445 -0.721 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -4.653 -12.263 -0.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -3.939 -14.157 -2.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -4.646 -12.963 -3.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -2.958 -13.140 -3.067 1.00 0.00 H new ATOM 475 N GLU A 33 -0.708 -8.729 0.984 1.00 0.00 N ATOM 476 CA GLU A 33 0.486 -9.079 1.806 1.00 0.00 C ATOM 477 C GLU A 33 1.416 -10.006 1.019 1.00 0.00 C ATOM 478 O GLU A 33 0.980 -10.945 0.382 1.00 0.00 O ATOM 479 CB GLU A 33 -0.073 -9.796 3.036 1.00 0.00 C ATOM 480 CG GLU A 33 -0.786 -11.082 2.607 1.00 0.00 C ATOM 481 CD GLU A 33 -1.868 -11.435 3.631 1.00 0.00 C ATOM 482 OE1 GLU A 33 -1.779 -10.950 4.747 1.00 0.00 O ATOM 483 OE2 GLU A 33 -2.766 -12.183 3.281 1.00 0.00 O ATOM 0 H GLU A 33 -1.591 -9.120 1.312 1.00 0.00 H new ATOM 0 HA GLU A 33 1.071 -8.200 2.079 1.00 0.00 H new ATOM 0 HB2 GLU A 33 0.734 -10.031 3.730 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.768 -9.143 3.565 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.233 -10.951 1.621 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.068 -11.898 2.525 1.00 0.00 H new ATOM 490 N GLY A 34 2.694 -9.746 1.054 1.00 0.00 N ATOM 491 CA GLY A 34 3.651 -10.609 0.305 1.00 0.00 C ATOM 492 C GLY A 34 3.614 -10.245 -1.181 1.00 0.00 C ATOM 493 O GLY A 34 3.970 -11.036 -2.032 1.00 0.00 O ATOM 0 H GLY A 34 3.117 -8.974 1.569 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.659 -10.477 0.697 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.392 -11.659 0.439 1.00 0.00 H new ATOM 497 N ASP A 35 3.186 -9.055 -1.500 1.00 0.00 N ATOM 498 CA ASP A 35 3.128 -8.643 -2.932 1.00 0.00 C ATOM 499 C ASP A 35 4.028 -7.428 -3.169 1.00 0.00 C ATOM 500 O ASP A 35 3.962 -6.446 -2.457 1.00 0.00 O ATOM 501 CB ASP A 35 1.662 -8.278 -3.179 1.00 0.00 C ATOM 502 CG ASP A 35 1.150 -9.022 -4.414 1.00 0.00 C ATOM 503 OD1 ASP A 35 1.082 -10.238 -4.364 1.00 0.00 O ATOM 504 OD2 ASP A 35 0.835 -8.361 -5.391 1.00 0.00 O ATOM 0 H ASP A 35 2.874 -8.350 -0.832 1.00 0.00 H new ATOM 0 HA ASP A 35 3.472 -9.430 -3.603 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.060 -8.539 -2.309 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.564 -7.202 -3.323 1.00 0.00 H new ATOM 509 N THR A 36 4.871 -7.485 -4.164 1.00 0.00 N ATOM 510 CA THR A 36 5.771 -6.330 -4.444 1.00 0.00 C ATOM 511 C THR A 36 4.983 -5.200 -5.109 1.00 0.00 C ATOM 512 O THR A 36 4.433 -5.360 -6.180 1.00 0.00 O ATOM 513 CB THR A 36 6.838 -6.878 -5.393 1.00 0.00 C ATOM 514 OG1 THR A 36 7.406 -8.054 -4.832 1.00 0.00 O ATOM 515 CG2 THR A 36 7.933 -5.829 -5.596 1.00 0.00 C ATOM 0 H THR A 36 4.975 -8.280 -4.794 1.00 0.00 H new ATOM 0 HA THR A 36 6.212 -5.917 -3.536 1.00 0.00 H new ATOM 0 HB THR A 36 6.383 -7.114 -6.355 1.00 0.00 H new ATOM 0 HG1 THR A 36 8.089 -8.409 -5.439 1.00 0.00 H new ATOM 0 HG21 THR A 36 8.692 -6.222 -6.272 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.497 -4.926 -6.024 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.391 -5.591 -4.636 1.00 0.00 H new ATOM 523 N VAL A 37 4.918 -4.059 -4.479 1.00 0.00 N ATOM 524 CA VAL A 37 4.156 -2.922 -5.072 1.00 0.00 C ATOM 525 C VAL A 37 5.105 -1.961 -5.794 1.00 0.00 C ATOM 526 O VAL A 37 6.259 -1.830 -5.441 1.00 0.00 O ATOM 527 CB VAL A 37 3.496 -2.227 -3.880 1.00 0.00 C ATOM 528 CG1 VAL A 37 4.572 -1.742 -2.908 1.00 0.00 C ATOM 529 CG2 VAL A 37 2.682 -1.031 -4.375 1.00 0.00 C ATOM 0 H VAL A 37 5.359 -3.864 -3.580 1.00 0.00 H new ATOM 0 HA VAL A 37 3.426 -3.256 -5.809 1.00 0.00 H new ATOM 0 HB VAL A 37 2.838 -2.931 -3.370 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.099 -1.247 -2.060 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.153 -2.594 -2.554 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.232 -1.039 -3.417 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.211 -0.535 -3.526 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.341 -0.329 -4.886 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.913 -1.375 -5.066 1.00 0.00 H new ATOM 539 N LYS A 38 4.621 -1.282 -6.798 1.00 0.00 N ATOM 540 CA LYS A 38 5.491 -0.323 -7.539 1.00 0.00 C ATOM 541 C LYS A 38 5.041 1.113 -7.262 1.00 0.00 C ATOM 542 O LYS A 38 3.905 1.359 -6.910 1.00 0.00 O ATOM 543 CB LYS A 38 5.299 -0.672 -9.015 1.00 0.00 C ATOM 544 CG LYS A 38 6.593 -0.385 -9.778 1.00 0.00 C ATOM 545 CD LYS A 38 7.228 -1.705 -10.218 1.00 0.00 C ATOM 546 CE LYS A 38 6.257 -2.462 -11.127 1.00 0.00 C ATOM 547 NZ LYS A 38 7.083 -2.911 -12.283 1.00 0.00 N ATOM 0 H LYS A 38 3.662 -1.349 -7.138 1.00 0.00 H new ATOM 0 HA LYS A 38 6.537 -0.393 -7.239 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.028 -1.723 -9.119 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.480 -0.088 -9.434 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.385 0.238 -10.647 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.285 0.171 -9.146 1.00 0.00 H new ATOM 0 HD2 LYS A 38 8.162 -1.513 -10.746 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.474 -2.311 -9.346 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.810 -3.310 -10.608 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.439 -1.820 -11.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.486 -3.439 -12.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.490 -2.082 -12.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.850 -3.526 -11.944 1.00 0.00 H new ATOM 561 N ALA A 39 5.922 2.064 -7.413 1.00 0.00 N ATOM 562 CA ALA A 39 5.541 3.482 -7.151 1.00 0.00 C ATOM 563 C ALA A 39 4.472 3.944 -8.146 1.00 0.00 C ATOM 564 O ALA A 39 4.676 3.924 -9.344 1.00 0.00 O ATOM 565 CB ALA A 39 6.830 4.281 -7.343 1.00 0.00 C ATOM 0 H ALA A 39 6.888 1.921 -7.706 1.00 0.00 H new ATOM 0 HA ALA A 39 5.121 3.615 -6.154 1.00 0.00 H new ATOM 0 HB1 ALA A 39 6.632 5.338 -7.167 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.584 3.931 -6.638 1.00 0.00 H new ATOM 0 HB3 ALA A 39 7.194 4.144 -8.361 1.00 0.00 H new ATOM 571 N GLY A 40 3.337 4.366 -7.659 1.00 0.00 N ATOM 572 CA GLY A 40 2.260 4.836 -8.578 1.00 0.00 C ATOM 573 C GLY A 40 1.152 3.781 -8.691 1.00 0.00 C ATOM 574 O GLY A 40 0.134 4.010 -9.314 1.00 0.00 O ATOM 0 H GLY A 40 3.108 4.406 -6.666 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.842 5.773 -8.209 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.678 5.040 -9.564 1.00 0.00 H new ATOM 578 N GLN A 41 1.332 2.628 -8.103 1.00 0.00 N ATOM 579 CA GLN A 41 0.276 1.578 -8.197 1.00 0.00 C ATOM 580 C GLN A 41 -0.779 1.781 -7.105 1.00 0.00 C ATOM 581 O GLN A 41 -0.473 1.818 -5.930 1.00 0.00 O ATOM 582 CB GLN A 41 1.012 0.252 -7.993 1.00 0.00 C ATOM 583 CG GLN A 41 0.513 -0.772 -9.015 1.00 0.00 C ATOM 584 CD GLN A 41 1.261 -2.093 -8.823 1.00 0.00 C ATOM 585 OE1 GLN A 41 2.389 -2.233 -9.252 1.00 0.00 O ATOM 586 NE2 GLN A 41 0.677 -3.074 -8.192 1.00 0.00 N ATOM 0 H GLN A 41 2.159 2.369 -7.565 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.249 1.610 -9.152 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.086 0.399 -8.105 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.845 -0.117 -6.981 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.559 -0.928 -8.895 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.669 -0.397 -10.027 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -0.270 -2.957 -7.832 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.167 -3.958 -8.059 1.00 0.00 H new ATOM 595 N THR A 42 -2.022 1.911 -7.487 1.00 0.00 N ATOM 596 CA THR A 42 -3.102 2.111 -6.475 1.00 0.00 C ATOM 597 C THR A 42 -3.085 0.981 -5.446 1.00 0.00 C ATOM 598 O THR A 42 -3.543 -0.116 -5.704 1.00 0.00 O ATOM 599 CB THR A 42 -4.403 2.084 -7.277 1.00 0.00 C ATOM 600 OG1 THR A 42 -4.255 2.880 -8.444 1.00 0.00 O ATOM 601 CG2 THR A 42 -5.542 2.637 -6.419 1.00 0.00 C ATOM 0 H THR A 42 -2.337 1.887 -8.457 1.00 0.00 H new ATOM 0 HA THR A 42 -2.980 3.042 -5.922 1.00 0.00 H new ATOM 0 HB THR A 42 -4.633 1.058 -7.565 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.088 2.862 -8.960 1.00 0.00 H new ATOM 0 HG21 THR A 42 -6.470 2.618 -6.990 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.654 2.025 -5.524 1.00 0.00 H new ATOM 0 HG23 THR A 42 -5.315 3.663 -6.130 1.00 0.00 H new ATOM 609 N VAL A 43 -2.564 1.238 -4.278 1.00 0.00 N ATOM 610 CA VAL A 43 -2.523 0.179 -3.231 1.00 0.00 C ATOM 611 C VAL A 43 -3.872 0.088 -2.520 1.00 0.00 C ATOM 612 O VAL A 43 -4.214 -0.926 -1.945 1.00 0.00 O ATOM 613 CB VAL A 43 -1.434 0.619 -2.252 1.00 0.00 C ATOM 614 CG1 VAL A 43 -0.090 0.666 -2.978 1.00 0.00 C ATOM 615 CG2 VAL A 43 -1.767 2.008 -1.700 1.00 0.00 C ATOM 0 H VAL A 43 -2.165 2.136 -4.003 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.315 -0.804 -3.653 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.379 -0.091 -1.427 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.688 0.979 -2.282 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.148 -0.324 -3.367 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.147 1.376 -3.803 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.989 2.319 -1.003 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.824 2.722 -2.522 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.726 1.974 -1.182 1.00 0.00 H new ATOM 625 N LEU A 44 -4.646 1.139 -2.549 1.00 0.00 N ATOM 626 CA LEU A 44 -5.972 1.096 -1.867 1.00 0.00 C ATOM 627 C LEU A 44 -6.942 2.086 -2.513 1.00 0.00 C ATOM 628 O LEU A 44 -6.545 2.982 -3.229 1.00 0.00 O ATOM 629 CB LEU A 44 -5.686 1.488 -0.418 1.00 0.00 C ATOM 630 CG LEU A 44 -5.727 0.239 0.465 1.00 0.00 C ATOM 631 CD1 LEU A 44 -4.417 0.123 1.246 1.00 0.00 C ATOM 632 CD2 LEU A 44 -6.898 0.343 1.444 1.00 0.00 C ATOM 0 H LEU A 44 -4.420 2.020 -3.012 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.437 0.113 -1.939 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.709 1.966 -0.345 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.423 2.214 -0.074 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.856 -0.644 -0.161 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.446 -0.767 1.875 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.583 0.047 0.548 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.287 1.006 1.872 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.927 -0.547 2.073 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.771 1.226 2.070 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.832 0.424 0.887 1.00 0.00 H new ATOM 644 N VAL A 45 -8.214 1.930 -2.265 1.00 0.00 N ATOM 645 CA VAL A 45 -9.212 2.862 -2.865 1.00 0.00 C ATOM 646 C VAL A 45 -9.959 3.617 -1.764 1.00 0.00 C ATOM 647 O VAL A 45 -10.536 3.025 -0.871 1.00 0.00 O ATOM 648 CB VAL A 45 -10.175 1.967 -3.646 1.00 0.00 C ATOM 649 CG1 VAL A 45 -11.175 2.840 -4.407 1.00 0.00 C ATOM 650 CG2 VAL A 45 -9.387 1.111 -4.639 1.00 0.00 C ATOM 0 H VAL A 45 -8.606 1.198 -1.673 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.743 3.611 -3.504 1.00 0.00 H new ATOM 0 HB VAL A 45 -10.710 1.318 -2.953 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.863 2.204 -4.965 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -11.737 3.450 -3.700 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -10.638 3.489 -5.099 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -10.074 0.473 -5.195 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.851 1.759 -5.333 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.673 0.490 -4.098 1.00 0.00 H new ATOM 660 N LEU A 46 -9.956 4.920 -1.820 1.00 0.00 N ATOM 661 CA LEU A 46 -10.667 5.712 -0.776 1.00 0.00 C ATOM 662 C LEU A 46 -12.041 6.150 -1.290 1.00 0.00 C ATOM 663 O LEU A 46 -12.337 6.044 -2.464 1.00 0.00 O ATOM 664 CB LEU A 46 -9.774 6.928 -0.527 1.00 0.00 C ATOM 665 CG LEU A 46 -9.814 7.296 0.958 1.00 0.00 C ATOM 666 CD1 LEU A 46 -8.460 6.979 1.597 1.00 0.00 C ATOM 667 CD2 LEU A 46 -10.112 8.789 1.112 1.00 0.00 C ATOM 0 H LEU A 46 -9.493 5.471 -2.543 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.838 5.138 0.135 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.750 6.709 -0.831 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -10.112 7.770 -1.130 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.596 6.719 1.452 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -8.487 7.241 2.655 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -8.248 5.915 1.492 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.679 7.555 1.100 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -10.140 9.047 2.171 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.332 9.369 0.617 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -11.076 9.016 0.658 1.00 0.00 H new ATOM 679 N GLU A 47 -12.880 6.642 -0.422 1.00 0.00 N ATOM 680 CA GLU A 47 -14.233 7.087 -0.861 1.00 0.00 C ATOM 681 C GLU A 47 -14.553 8.466 -0.279 1.00 0.00 C ATOM 682 O GLU A 47 -15.227 8.586 0.725 1.00 0.00 O ATOM 683 CB GLU A 47 -15.195 6.035 -0.309 1.00 0.00 C ATOM 684 CG GLU A 47 -15.919 5.346 -1.468 1.00 0.00 C ATOM 685 CD GLU A 47 -17.361 5.853 -1.542 1.00 0.00 C ATOM 686 OE1 GLU A 47 -17.542 7.056 -1.617 1.00 0.00 O ATOM 687 OE2 GLU A 47 -18.260 5.027 -1.524 1.00 0.00 O ATOM 0 H GLU A 47 -12.688 6.756 0.573 1.00 0.00 H new ATOM 0 HA GLU A 47 -14.306 7.177 -1.945 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -14.647 5.299 0.280 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -15.918 6.503 0.359 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -15.402 5.549 -2.406 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -15.909 4.265 -1.326 1.00 0.00 H new ATOM 775 N THR A 53 -11.534 7.246 -5.292 1.00 0.00 N ATOM 776 CA THR A 53 -10.136 7.757 -5.365 1.00 0.00 C ATOM 777 C THR A 53 -9.144 6.591 -5.346 1.00 0.00 C ATOM 778 O THR A 53 -9.238 5.696 -4.528 1.00 0.00 O ATOM 779 CB THR A 53 -9.966 8.625 -4.117 1.00 0.00 C ATOM 780 OG1 THR A 53 -11.053 9.536 -4.024 1.00 0.00 O ATOM 781 CG2 THR A 53 -8.652 9.402 -4.208 1.00 0.00 C ATOM 0 HA THR A 53 -9.949 8.318 -6.281 1.00 0.00 H new ATOM 0 HB THR A 53 -9.948 7.989 -3.232 1.00 0.00 H new ATOM 0 HG1 THR A 53 -11.870 9.104 -4.350 1.00 0.00 H new ATOM 0 HG21 THR A 53 -8.532 10.020 -3.318 1.00 0.00 H new ATOM 0 HG22 THR A 53 -7.819 8.702 -4.278 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.666 10.039 -5.093 1.00 0.00 H new ATOM 789 N GLU A 54 -8.194 6.594 -6.240 1.00 0.00 N ATOM 790 CA GLU A 54 -7.196 5.486 -6.274 1.00 0.00 C ATOM 791 C GLU A 54 -5.940 5.879 -5.492 1.00 0.00 C ATOM 792 O GLU A 54 -5.216 6.777 -5.874 1.00 0.00 O ATOM 793 CB GLU A 54 -6.865 5.295 -7.755 1.00 0.00 C ATOM 794 CG GLU A 54 -7.832 4.280 -8.369 1.00 0.00 C ATOM 795 CD GLU A 54 -8.587 4.931 -9.530 1.00 0.00 C ATOM 796 OE1 GLU A 54 -7.932 5.398 -10.449 1.00 0.00 O ATOM 797 OE2 GLU A 54 -9.805 4.952 -9.481 1.00 0.00 O ATOM 0 H GLU A 54 -8.065 7.316 -6.949 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.580 4.572 -5.820 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.939 6.247 -8.280 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.838 4.948 -7.867 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.283 3.407 -8.722 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.536 3.930 -7.614 1.00 0.00 H new ATOM 804 N ILE A 55 -5.677 5.216 -4.399 1.00 0.00 N ATOM 805 CA ILE A 55 -4.468 5.553 -3.593 1.00 0.00 C ATOM 806 C ILE A 55 -3.224 4.895 -4.199 1.00 0.00 C ATOM 807 O ILE A 55 -2.914 3.753 -3.918 1.00 0.00 O ATOM 808 CB ILE A 55 -4.748 4.994 -2.199 1.00 0.00 C ATOM 809 CG1 ILE A 55 -6.063 5.576 -1.672 1.00 0.00 C ATOM 810 CG2 ILE A 55 -3.608 5.381 -1.254 1.00 0.00 C ATOM 811 CD1 ILE A 55 -6.335 5.038 -0.265 1.00 0.00 C ATOM 0 H ILE A 55 -6.247 4.455 -4.029 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.277 6.626 -3.568 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.824 3.908 -2.252 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.008 6.664 -1.652 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -6.883 5.310 -2.339 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.808 4.982 -0.260 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.670 4.970 -1.628 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.532 6.467 -1.201 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.271 5.453 0.109 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.408 3.951 -0.299 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.520 5.326 0.399 1.00 0.00 H new ATOM 823 N ASN A 56 -2.518 5.617 -5.031 1.00 0.00 N ATOM 824 CA ASN A 56 -1.288 5.064 -5.675 1.00 0.00 C ATOM 825 C ASN A 56 -0.193 4.818 -4.635 1.00 0.00 C ATOM 826 O ASN A 56 -0.092 5.515 -3.645 1.00 0.00 O ATOM 827 CB ASN A 56 -0.846 6.145 -6.662 1.00 0.00 C ATOM 828 CG ASN A 56 -1.823 6.194 -7.838 1.00 0.00 C ATOM 829 OD1 ASN A 56 -3.005 5.962 -7.672 1.00 0.00 O ATOM 830 ND2 ASN A 56 -1.377 6.487 -9.028 1.00 0.00 N ATOM 0 H ASN A 56 -2.744 6.576 -5.294 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.478 4.107 -6.161 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -0.811 7.114 -6.164 1.00 0.00 H new ATOM 0 HB3 ASN A 56 0.161 5.934 -7.021 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.020 6.522 -9.819 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -0.385 6.682 -9.167 1.00 0.00 H new ATOM 837 N ALA A 57 0.630 3.831 -4.861 1.00 0.00 N ATOM 838 CA ALA A 57 1.728 3.534 -3.896 1.00 0.00 C ATOM 839 C ALA A 57 2.730 4.695 -3.854 1.00 0.00 C ATOM 840 O ALA A 57 2.967 5.341 -4.856 1.00 0.00 O ATOM 841 CB ALA A 57 2.402 2.275 -4.441 1.00 0.00 C ATOM 0 H ALA A 57 0.590 3.216 -5.674 1.00 0.00 H new ATOM 0 HA ALA A 57 1.356 3.397 -2.881 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.224 1.990 -3.785 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.675 1.464 -4.486 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.788 2.473 -5.441 1.00 0.00 H new ATOM 847 N PRO A 58 3.293 4.922 -2.692 1.00 0.00 N ATOM 848 CA PRO A 58 4.282 6.016 -2.532 1.00 0.00 C ATOM 849 C PRO A 58 5.623 5.618 -3.156 1.00 0.00 C ATOM 850 O PRO A 58 6.242 6.385 -3.865 1.00 0.00 O ATOM 851 CB PRO A 58 4.413 6.163 -1.020 1.00 0.00 C ATOM 852 CG PRO A 58 4.026 4.831 -0.460 1.00 0.00 C ATOM 853 CD PRO A 58 3.066 4.196 -1.435 1.00 0.00 C ATOM 0 HA PRO A 58 3.979 6.942 -3.021 1.00 0.00 H new ATOM 0 HB2 PRO A 58 5.432 6.428 -0.737 1.00 0.00 H new ATOM 0 HB3 PRO A 58 3.762 6.952 -0.644 1.00 0.00 H new ATOM 0 HG2 PRO A 58 4.905 4.202 -0.322 1.00 0.00 H new ATOM 0 HG3 PRO A 58 3.560 4.946 0.518 1.00 0.00 H new ATOM 0 HD2 PRO A 58 3.263 3.130 -1.550 1.00 0.00 H new ATOM 0 HD3 PRO A 58 2.034 4.295 -1.099 1.00 0.00 H new ATOM 861 N THR A 59 6.076 4.422 -2.893 1.00 0.00 N ATOM 862 CA THR A 59 7.376 3.974 -3.469 1.00 0.00 C ATOM 863 C THR A 59 7.344 2.467 -3.734 1.00 0.00 C ATOM 864 O THR A 59 6.665 1.722 -3.056 1.00 0.00 O ATOM 865 CB THR A 59 8.423 4.311 -2.403 1.00 0.00 C ATOM 866 OG1 THR A 59 8.015 5.466 -1.682 1.00 0.00 O ATOM 867 CG2 THR A 59 9.770 4.578 -3.076 1.00 0.00 C ATOM 0 H THR A 59 5.602 3.736 -2.305 1.00 0.00 H new ATOM 0 HA THR A 59 7.595 4.460 -4.420 1.00 0.00 H new ATOM 0 HB THR A 59 8.521 3.471 -1.715 1.00 0.00 H new ATOM 0 HG1 THR A 59 8.685 5.679 -0.999 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.515 4.818 -2.317 1.00 0.00 H new ATOM 0 HG22 THR A 59 10.084 3.691 -3.625 1.00 0.00 H new ATOM 0 HG23 THR A 59 9.672 5.416 -3.766 1.00 0.00 H new ATOM 875 N ASP A 60 8.076 2.010 -4.715 1.00 0.00 N ATOM 876 CA ASP A 60 8.087 0.551 -5.019 1.00 0.00 C ATOM 877 C ASP A 60 8.698 -0.227 -3.851 1.00 0.00 C ATOM 878 O ASP A 60 9.571 0.259 -3.159 1.00 0.00 O ATOM 879 CB ASP A 60 8.958 0.415 -6.269 1.00 0.00 C ATOM 880 CG ASP A 60 10.374 0.907 -5.961 1.00 0.00 C ATOM 881 OD1 ASP A 60 10.539 2.104 -5.790 1.00 0.00 O ATOM 882 OD2 ASP A 60 11.268 0.079 -5.903 1.00 0.00 O ATOM 0 H ASP A 60 8.666 2.584 -5.318 1.00 0.00 H new ATOM 0 HA ASP A 60 7.084 0.153 -5.175 1.00 0.00 H new ATOM 0 HB2 ASP A 60 8.986 -0.625 -6.594 1.00 0.00 H new ATOM 0 HB3 ASP A 60 8.531 0.994 -7.088 1.00 0.00 H new ATOM 887 N GLY A 61 8.247 -1.430 -3.626 1.00 0.00 N ATOM 888 CA GLY A 61 8.804 -2.234 -2.503 1.00 0.00 C ATOM 889 C GLY A 61 7.944 -3.480 -2.287 1.00 0.00 C ATOM 890 O GLY A 61 7.155 -3.855 -3.131 1.00 0.00 O ATOM 0 H GLY A 61 7.518 -1.890 -4.171 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.831 -2.523 -2.724 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.830 -1.636 -1.592 1.00 0.00 H new ATOM 894 N LYS A 62 8.092 -4.125 -1.163 1.00 0.00 N ATOM 895 CA LYS A 62 7.286 -5.350 -0.892 1.00 0.00 C ATOM 896 C LYS A 62 6.538 -5.209 0.436 1.00 0.00 C ATOM 897 O LYS A 62 7.050 -4.662 1.392 1.00 0.00 O ATOM 898 CB LYS A 62 8.312 -6.482 -0.815 1.00 0.00 C ATOM 899 CG LYS A 62 7.588 -7.824 -0.688 1.00 0.00 C ATOM 900 CD LYS A 62 8.613 -8.959 -0.709 1.00 0.00 C ATOM 901 CE LYS A 62 9.240 -9.107 0.679 1.00 0.00 C ATOM 902 NZ LYS A 62 9.217 -10.570 0.955 1.00 0.00 N ATOM 0 H LYS A 62 8.737 -3.857 -0.419 1.00 0.00 H new ATOM 0 HA LYS A 62 6.533 -5.531 -1.659 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.939 -6.479 -1.706 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.972 -6.331 0.040 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.015 -7.854 0.239 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.878 -7.945 -1.506 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.132 -9.892 -1.004 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.386 -8.751 -1.449 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.258 -8.718 0.696 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.674 -8.554 1.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.631 -10.753 1.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.235 -10.911 0.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.769 -11.069 0.228 1.00 0.00 H new ATOM 916 N VAL A 63 5.329 -5.700 0.504 1.00 0.00 N ATOM 917 CA VAL A 63 4.555 -5.592 1.773 1.00 0.00 C ATOM 918 C VAL A 63 5.003 -6.680 2.755 1.00 0.00 C ATOM 919 O VAL A 63 5.274 -7.803 2.378 1.00 0.00 O ATOM 920 CB VAL A 63 3.086 -5.781 1.361 1.00 0.00 C ATOM 921 CG1 VAL A 63 2.222 -6.127 2.582 1.00 0.00 C ATOM 922 CG2 VAL A 63 2.569 -4.483 0.746 1.00 0.00 C ATOM 0 H VAL A 63 4.846 -6.169 -0.262 1.00 0.00 H new ATOM 0 HA VAL A 63 4.707 -4.638 2.278 1.00 0.00 H new ATOM 0 HB VAL A 63 3.027 -6.597 0.641 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.186 -6.257 2.270 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.583 -7.051 3.033 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.283 -5.319 3.311 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.527 -4.610 0.451 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.644 -3.679 1.478 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.166 -4.233 -0.131 1.00 0.00 H new ATOM 932 N GLU A 64 5.068 -6.349 4.012 1.00 0.00 N ATOM 933 CA GLU A 64 5.480 -7.353 5.030 1.00 0.00 C ATOM 934 C GLU A 64 4.296 -7.683 5.944 1.00 0.00 C ATOM 935 O GLU A 64 4.311 -8.661 6.665 1.00 0.00 O ATOM 936 CB GLU A 64 6.601 -6.679 5.821 1.00 0.00 C ATOM 937 CG GLU A 64 7.854 -6.582 4.947 1.00 0.00 C ATOM 938 CD GLU A 64 9.040 -7.203 5.686 1.00 0.00 C ATOM 939 OE1 GLU A 64 9.003 -7.235 6.905 1.00 0.00 O ATOM 940 OE2 GLU A 64 9.966 -7.637 5.020 1.00 0.00 O ATOM 0 H GLU A 64 4.853 -5.423 4.380 1.00 0.00 H new ATOM 0 HA GLU A 64 5.810 -8.290 4.582 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.289 -5.684 6.140 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.818 -7.250 6.724 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.691 -7.098 4.001 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.065 -5.539 4.710 1.00 0.00 H new ATOM 947 N LYS A 65 3.264 -6.874 5.921 1.00 0.00 N ATOM 948 CA LYS A 65 2.081 -7.147 6.791 1.00 0.00 C ATOM 949 C LYS A 65 1.005 -6.080 6.569 1.00 0.00 C ATOM 950 O LYS A 65 1.278 -4.896 6.587 1.00 0.00 O ATOM 951 CB LYS A 65 2.611 -7.078 8.225 1.00 0.00 C ATOM 952 CG LYS A 65 2.613 -8.481 8.837 1.00 0.00 C ATOM 953 CD LYS A 65 1.382 -8.650 9.729 1.00 0.00 C ATOM 954 CE LYS A 65 1.710 -8.171 11.144 1.00 0.00 C ATOM 955 NZ LYS A 65 2.309 -9.355 11.821 1.00 0.00 N ATOM 0 H LYS A 65 3.191 -6.040 5.339 1.00 0.00 H new ATOM 0 HA LYS A 65 1.626 -8.113 6.572 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.620 -6.665 8.232 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.990 -6.410 8.822 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.610 -9.233 8.048 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.521 -8.634 9.420 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.546 -8.080 9.325 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.075 -9.696 9.749 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.406 -7.332 11.126 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.814 -7.830 11.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.561 -9.105 12.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.621 -10.135 11.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.164 -9.652 11.308 1.00 0.00 H new ATOM 969 N VAL A 66 -0.218 -6.490 6.363 1.00 0.00 N ATOM 970 CA VAL A 66 -1.311 -5.498 6.144 1.00 0.00 C ATOM 971 C VAL A 66 -1.666 -4.804 7.462 1.00 0.00 C ATOM 972 O VAL A 66 -1.530 -5.372 8.528 1.00 0.00 O ATOM 973 CB VAL A 66 -2.497 -6.319 5.638 1.00 0.00 C ATOM 974 CG1 VAL A 66 -2.106 -7.037 4.346 1.00 0.00 C ATOM 975 CG2 VAL A 66 -2.889 -7.352 6.698 1.00 0.00 C ATOM 0 H VAL A 66 -0.507 -7.468 6.337 1.00 0.00 H new ATOM 0 HA VAL A 66 -1.024 -4.718 5.439 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.342 -5.658 5.444 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.952 -7.623 3.985 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.825 -6.302 3.592 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.262 -7.699 4.539 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.735 -7.939 6.339 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.044 -8.013 6.891 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.167 -6.840 7.619 1.00 0.00 H new ATOM 985 N LEU A 67 -2.122 -3.583 7.399 1.00 0.00 N ATOM 986 CA LEU A 67 -2.484 -2.860 8.651 1.00 0.00 C ATOM 987 C LEU A 67 -3.928 -2.354 8.575 1.00 0.00 C ATOM 988 O LEU A 67 -4.756 -2.686 9.399 1.00 0.00 O ATOM 989 CB LEU A 67 -1.507 -1.687 8.729 1.00 0.00 C ATOM 990 CG LEU A 67 -0.892 -1.632 10.128 1.00 0.00 C ATOM 991 CD1 LEU A 67 0.175 -0.536 10.175 1.00 0.00 C ATOM 992 CD2 LEU A 67 -1.983 -1.321 11.154 1.00 0.00 C ATOM 0 H LEU A 67 -2.259 -3.056 6.537 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.421 -3.502 9.530 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.724 -1.801 7.979 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.024 -0.753 8.510 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.436 -2.595 10.360 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.613 -0.497 11.172 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.954 -0.755 9.445 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.281 0.426 9.941 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.544 -1.282 12.151 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.439 -0.359 10.920 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.744 -2.100 11.123 1.00 0.00 H new ATOM 1004 N VAL A 68 -4.235 -1.549 7.596 1.00 0.00 N ATOM 1005 CA VAL A 68 -5.624 -1.021 7.473 1.00 0.00 C ATOM 1006 C VAL A 68 -6.509 -2.024 6.730 1.00 0.00 C ATOM 1007 O VAL A 68 -6.035 -2.829 5.953 1.00 0.00 O ATOM 1008 CB VAL A 68 -5.491 0.272 6.670 1.00 0.00 C ATOM 1009 CG1 VAL A 68 -6.854 0.959 6.581 1.00 0.00 C ATOM 1010 CG2 VAL A 68 -4.494 1.204 7.363 1.00 0.00 C ATOM 0 H VAL A 68 -3.585 -1.234 6.876 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.085 -0.850 8.446 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.134 0.041 5.666 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.760 1.882 6.008 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.564 0.296 6.087 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.211 1.190 7.585 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.399 2.126 6.790 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.850 1.435 8.367 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.522 0.715 7.426 1.00 0.00 H new ATOM 1020 N LYS A 69 -7.792 -1.980 6.960 1.00 0.00 N ATOM 1021 CA LYS A 69 -8.708 -2.931 6.265 1.00 0.00 C ATOM 1022 C LYS A 69 -9.943 -2.190 5.747 1.00 0.00 C ATOM 1023 O LYS A 69 -10.207 -1.067 6.126 1.00 0.00 O ATOM 1024 CB LYS A 69 -9.102 -3.953 7.332 1.00 0.00 C ATOM 1025 CG LYS A 69 -8.020 -5.029 7.431 1.00 0.00 C ATOM 1026 CD LYS A 69 -8.176 -6.018 6.274 1.00 0.00 C ATOM 1027 CE LYS A 69 -7.510 -7.345 6.645 1.00 0.00 C ATOM 1028 NZ LYS A 69 -6.656 -7.688 5.475 1.00 0.00 N ATOM 0 H LYS A 69 -8.247 -1.327 7.599 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.237 -3.404 5.403 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.228 -3.459 8.295 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -10.060 -4.408 7.079 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.032 -4.570 7.400 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.099 -5.552 8.384 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.232 -6.177 6.057 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -7.723 -5.611 5.370 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.915 -7.248 7.553 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.253 -8.121 6.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -6.166 -8.588 5.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -7.250 -7.781 4.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -5.954 -6.935 5.325 1.00 0.00 H new ATOM 1042 N GLU A 70 -10.699 -2.810 4.884 1.00 0.00 N ATOM 1043 CA GLU A 70 -11.918 -2.140 4.344 1.00 0.00 C ATOM 1044 C GLU A 70 -12.921 -1.883 5.471 1.00 0.00 C ATOM 1045 O GLU A 70 -13.870 -2.620 5.651 1.00 0.00 O ATOM 1046 CB GLU A 70 -12.493 -3.125 3.327 1.00 0.00 C ATOM 1047 CG GLU A 70 -11.462 -3.383 2.227 1.00 0.00 C ATOM 1048 CD GLU A 70 -11.511 -4.856 1.816 1.00 0.00 C ATOM 1049 OE1 GLU A 70 -11.224 -5.694 2.655 1.00 0.00 O ATOM 1050 OE2 GLU A 70 -11.833 -5.120 0.670 1.00 0.00 O ATOM 0 H GLU A 70 -10.527 -3.751 4.529 1.00 0.00 H new ATOM 0 HA GLU A 70 -11.694 -1.174 3.892 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -12.756 -4.061 3.820 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -13.409 -2.724 2.894 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -11.667 -2.747 1.366 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.464 -3.127 2.582 1.00 0.00 H new ATOM 1057 N ARG A 71 -12.716 -0.842 6.234 1.00 0.00 N ATOM 1058 CA ARG A 71 -13.656 -0.536 7.352 1.00 0.00 C ATOM 1059 C ARG A 71 -13.247 0.767 8.044 1.00 0.00 C ATOM 1060 O ARG A 71 -14.065 1.630 8.297 1.00 0.00 O ATOM 1061 CB ARG A 71 -13.524 -1.718 8.316 1.00 0.00 C ATOM 1062 CG ARG A 71 -14.752 -2.621 8.185 1.00 0.00 C ATOM 1063 CD ARG A 71 -15.308 -2.932 9.576 1.00 0.00 C ATOM 1064 NE ARG A 71 -16.648 -2.285 9.606 1.00 0.00 N ATOM 1065 CZ ARG A 71 -17.260 -2.101 10.745 1.00 0.00 C ATOM 1066 NH1 ARG A 71 -16.624 -1.557 11.746 1.00 0.00 N ATOM 1067 NH2 ARG A 71 -18.506 -2.462 10.883 1.00 0.00 N ATOM 0 H ARG A 71 -11.938 -0.190 6.131 1.00 0.00 H new ATOM 0 HA ARG A 71 -14.681 -0.405 7.005 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -12.618 -2.283 8.094 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -13.432 -1.357 9.340 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -15.514 -2.131 7.579 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -14.484 -3.546 7.674 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -15.385 -4.007 9.740 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -14.660 -2.536 10.358 1.00 0.00 H new ATOM 0 HE ARG A 71 -17.089 -1.985 8.736 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -15.649 -1.276 11.639 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -17.101 -1.413 12.636 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -19.003 -2.888 10.101 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -18.983 -2.318 11.773 1.00 0.00 H new ATOM 1081 N ASP A 72 -11.987 0.918 8.352 1.00 0.00 N ATOM 1082 CA ASP A 72 -11.529 2.167 9.030 1.00 0.00 C ATOM 1083 C ASP A 72 -11.991 3.397 8.244 1.00 0.00 C ATOM 1084 O ASP A 72 -11.722 3.531 7.067 1.00 0.00 O ATOM 1085 CB ASP A 72 -10.001 2.074 9.039 1.00 0.00 C ATOM 1086 CG ASP A 72 -9.477 2.060 7.602 1.00 0.00 C ATOM 1087 OD1 ASP A 72 -9.949 1.244 6.829 1.00 0.00 O ATOM 1088 OD2 ASP A 72 -8.611 2.865 7.300 1.00 0.00 O ATOM 0 H ASP A 72 -11.255 0.232 8.164 1.00 0.00 H new ATOM 0 HA ASP A 72 -11.937 2.265 10.036 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -9.579 2.920 9.582 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -9.685 1.170 9.560 1.00 0.00 H new ATOM 1093 N ALA A 73 -12.684 4.297 8.886 1.00 0.00 N ATOM 1094 CA ALA A 73 -13.160 5.517 8.173 1.00 0.00 C ATOM 1095 C ALA A 73 -12.630 6.775 8.866 1.00 0.00 C ATOM 1096 O ALA A 73 -12.266 6.740 10.025 1.00 0.00 O ATOM 1097 CB ALA A 73 -14.686 5.457 8.264 1.00 0.00 C ATOM 0 H ALA A 73 -12.941 4.241 9.871 1.00 0.00 H new ATOM 0 HA ALA A 73 -12.814 5.554 7.140 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -15.115 6.324 7.761 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -15.044 4.546 7.785 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -14.988 5.459 9.311 1.00 0.00 H new ATOM 1103 N VAL A 74 -12.586 7.879 8.153 1.00 0.00 N ATOM 1104 CA VAL A 74 -12.084 9.174 8.729 1.00 0.00 C ATOM 1105 C VAL A 74 -10.915 8.949 9.696 1.00 0.00 C ATOM 1106 O VAL A 74 -10.845 9.547 10.751 1.00 0.00 O ATOM 1107 CB VAL A 74 -13.284 9.788 9.458 1.00 0.00 C ATOM 1108 CG1 VAL A 74 -14.432 9.979 8.466 1.00 0.00 C ATOM 1109 CG2 VAL A 74 -13.740 8.865 10.589 1.00 0.00 C ATOM 0 H VAL A 74 -12.882 7.939 7.179 1.00 0.00 H new ATOM 0 HA VAL A 74 -11.701 9.830 7.948 1.00 0.00 H new ATOM 0 HB VAL A 74 -12.993 10.750 9.879 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -15.288 10.416 8.980 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -14.113 10.644 7.664 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -14.715 9.014 8.046 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -14.593 9.311 11.101 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -14.029 7.899 10.176 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -12.923 8.727 11.298 1.00 0.00 H new ATOM 1119 N GLN A 75 -9.998 8.092 9.341 1.00 0.00 N ATOM 1120 CA GLN A 75 -8.836 7.829 10.238 1.00 0.00 C ATOM 1121 C GLN A 75 -7.537 8.277 9.563 1.00 0.00 C ATOM 1122 O GLN A 75 -6.928 7.538 8.816 1.00 0.00 O ATOM 1123 CB GLN A 75 -8.834 6.315 10.449 1.00 0.00 C ATOM 1124 CG GLN A 75 -8.812 6.006 11.947 1.00 0.00 C ATOM 1125 CD GLN A 75 -9.544 4.688 12.208 1.00 0.00 C ATOM 1126 OE1 GLN A 75 -9.032 3.819 12.886 1.00 0.00 O ATOM 1127 NE2 GLN A 75 -10.729 4.502 11.693 1.00 0.00 N ATOM 0 H GLN A 75 -10.002 7.562 8.469 1.00 0.00 H new ATOM 0 HA GLN A 75 -8.910 8.372 11.180 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -9.717 5.872 9.989 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -7.965 5.871 9.963 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -7.783 5.939 12.300 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -9.287 6.814 12.503 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -11.158 5.232 11.124 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -11.226 3.627 11.860 1.00 0.00 H new ATOM 1136 N GLY A 76 -7.108 9.481 9.821 1.00 0.00 N ATOM 1137 CA GLY A 76 -5.849 9.972 9.193 1.00 0.00 C ATOM 1138 C GLY A 76 -4.697 9.846 10.192 1.00 0.00 C ATOM 1139 O GLY A 76 -4.888 9.929 11.388 1.00 0.00 O ATOM 0 H GLY A 76 -7.574 10.146 10.439 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.630 9.396 8.294 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -5.965 11.011 8.885 1.00 0.00 H new ATOM 1143 N GLY A 77 -3.502 9.645 9.708 1.00 0.00 N ATOM 1144 CA GLY A 77 -2.336 9.512 10.628 1.00 0.00 C ATOM 1145 C GLY A 77 -2.191 8.056 11.080 1.00 0.00 C ATOM 1146 O GLY A 77 -1.488 7.760 12.026 1.00 0.00 O ATOM 0 H GLY A 77 -3.282 9.567 8.715 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.426 9.838 10.125 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.470 10.159 11.495 1.00 0.00 H new ATOM 1150 N GLN A 78 -2.847 7.140 10.415 1.00 0.00 N ATOM 1151 CA GLN A 78 -2.739 5.708 10.817 1.00 0.00 C ATOM 1152 C GLN A 78 -1.738 4.982 9.915 1.00 0.00 C ATOM 1153 O GLN A 78 -1.561 5.328 8.763 1.00 0.00 O ATOM 1154 CB GLN A 78 -4.144 5.137 10.629 1.00 0.00 C ATOM 1155 CG GLN A 78 -4.232 3.766 11.304 1.00 0.00 C ATOM 1156 CD GLN A 78 -5.693 3.458 11.643 1.00 0.00 C ATOM 1157 OE1 GLN A 78 -6.095 3.553 12.785 1.00 0.00 O ATOM 1158 NE2 GLN A 78 -6.507 3.091 10.691 1.00 0.00 N ATOM 0 H GLN A 78 -3.451 7.322 9.613 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.386 5.591 11.842 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.883 5.813 11.058 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -4.372 5.047 9.567 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -3.831 2.997 10.644 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -3.627 3.755 12.211 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -6.168 3.012 9.732 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -7.482 2.884 10.906 1.00 0.00 H new ATOM 1167 N GLY A 79 -1.083 3.977 10.429 1.00 0.00 N ATOM 1168 CA GLY A 79 -0.095 3.230 9.601 1.00 0.00 C ATOM 1169 C GLY A 79 -0.819 2.493 8.474 1.00 0.00 C ATOM 1170 O GLY A 79 -1.479 1.496 8.693 1.00 0.00 O ATOM 0 H GLY A 79 -1.189 3.641 11.386 1.00 0.00 H new ATOM 0 HA2 GLY A 79 0.640 3.919 9.185 1.00 0.00 H new ATOM 0 HA3 GLY A 79 0.451 2.519 10.222 1.00 0.00 H new ATOM 1174 N LEU A 80 -0.700 2.974 7.267 1.00 0.00 N ATOM 1175 CA LEU A 80 -1.382 2.298 6.126 1.00 0.00 C ATOM 1176 C LEU A 80 -0.960 0.829 6.056 1.00 0.00 C ATOM 1177 O LEU A 80 -1.670 -0.053 6.499 1.00 0.00 O ATOM 1178 CB LEU A 80 -0.910 3.050 4.880 1.00 0.00 C ATOM 1179 CG LEU A 80 -1.974 4.067 4.465 1.00 0.00 C ATOM 1180 CD1 LEU A 80 -1.331 5.164 3.615 1.00 0.00 C ATOM 1181 CD2 LEU A 80 -3.060 3.362 3.650 1.00 0.00 C ATOM 0 H LEU A 80 -0.161 3.804 7.021 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.467 2.314 6.225 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.033 3.557 5.084 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.726 2.348 4.067 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.417 4.512 5.356 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.091 5.888 3.320 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.557 5.666 4.195 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.887 4.720 2.724 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.819 4.085 3.353 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.616 2.917 2.760 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.520 2.581 4.255 1.00 0.00 H new ATOM 1193 N ILE A 81 0.191 0.558 5.505 1.00 0.00 N ATOM 1194 CA ILE A 81 0.663 -0.854 5.407 1.00 0.00 C ATOM 1195 C ILE A 81 2.182 -0.910 5.588 1.00 0.00 C ATOM 1196 O ILE A 81 2.873 0.074 5.421 1.00 0.00 O ATOM 1197 CB ILE A 81 0.278 -1.306 3.998 1.00 0.00 C ATOM 1198 CG1 ILE A 81 -1.246 -1.283 3.849 1.00 0.00 C ATOM 1199 CG2 ILE A 81 0.792 -2.728 3.763 1.00 0.00 C ATOM 1200 CD1 ILE A 81 -1.630 -1.770 2.451 1.00 0.00 C ATOM 0 H ILE A 81 0.827 1.255 5.117 1.00 0.00 H new ATOM 0 HA ILE A 81 0.222 -1.492 6.173 1.00 0.00 H new ATOM 0 HB ILE A 81 0.722 -0.631 3.266 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -1.706 -1.919 4.606 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.622 -0.273 4.010 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.519 -3.052 2.759 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.877 -2.745 3.867 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.347 -3.401 4.496 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -2.715 -1.754 2.345 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -1.182 -1.116 1.702 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.267 -2.788 2.308 1.00 0.00 H new ATOM 1212 N LYS A 82 2.711 -2.056 5.924 1.00 0.00 N ATOM 1213 CA LYS A 82 4.187 -2.166 6.109 1.00 0.00 C ATOM 1214 C LYS A 82 4.861 -2.506 4.777 1.00 0.00 C ATOM 1215 O LYS A 82 4.435 -3.393 4.063 1.00 0.00 O ATOM 1216 CB LYS A 82 4.380 -3.303 7.113 1.00 0.00 C ATOM 1217 CG LYS A 82 5.741 -3.152 7.797 1.00 0.00 C ATOM 1218 CD LYS A 82 5.597 -3.442 9.292 1.00 0.00 C ATOM 1219 CE LYS A 82 6.984 -3.511 9.936 1.00 0.00 C ATOM 1220 NZ LYS A 82 6.771 -3.103 11.353 1.00 0.00 N ATOM 0 H LYS A 82 2.187 -2.918 6.078 1.00 0.00 H new ATOM 0 HA LYS A 82 4.629 -1.234 6.462 1.00 0.00 H new ATOM 0 HB2 LYS A 82 3.583 -3.286 7.856 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.321 -4.266 6.605 1.00 0.00 H new ATOM 0 HG2 LYS A 82 6.462 -3.837 7.351 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.125 -2.143 7.647 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.002 -2.663 9.768 1.00 0.00 H new ATOM 0 HD3 LYS A 82 5.068 -4.383 9.441 1.00 0.00 H new ATOM 0 HE2 LYS A 82 7.399 -4.517 9.873 1.00 0.00 H new ATOM 0 HE3 LYS A 82 7.686 -2.845 9.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 7.678 -3.125 11.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 6.382 -2.139 11.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.104 -3.759 11.807 1.00 0.00 H new ATOM 1234 N ILE A 83 5.909 -1.807 4.436 1.00 0.00 N ATOM 1235 CA ILE A 83 6.607 -2.091 3.149 1.00 0.00 C ATOM 1236 C ILE A 83 8.125 -2.078 3.354 1.00 0.00 C ATOM 1237 O ILE A 83 8.876 -1.693 2.480 1.00 0.00 O ATOM 1238 CB ILE A 83 6.183 -0.961 2.212 1.00 0.00 C ATOM 1239 CG1 ILE A 83 6.637 0.381 2.793 1.00 0.00 C ATOM 1240 CG2 ILE A 83 4.660 -0.962 2.066 1.00 0.00 C ATOM 1241 CD1 ILE A 83 7.359 1.189 1.712 1.00 0.00 C ATOM 0 H ILE A 83 6.312 -1.053 4.992 1.00 0.00 H new ATOM 0 HA ILE A 83 6.351 -3.072 2.748 1.00 0.00 H new ATOM 0 HB ILE A 83 6.642 -1.109 1.235 1.00 0.00 H new ATOM 0 HG12 ILE A 83 5.777 0.938 3.164 1.00 0.00 H new ATOM 0 HG13 ILE A 83 7.300 0.216 3.642 1.00 0.00 H new ATOM 0 HG21 ILE A 83 4.358 -0.156 1.398 1.00 0.00 H new ATOM 0 HG22 ILE A 83 4.335 -1.917 1.653 1.00 0.00 H new ATOM 0 HG23 ILE A 83 4.201 -0.814 3.043 1.00 0.00 H new ATOM 0 HD11 ILE A 83 7.682 2.144 2.126 1.00 0.00 H new ATOM 0 HD12 ILE A 83 8.229 0.633 1.362 1.00 0.00 H new ATOM 0 HD13 ILE A 83 6.681 1.366 0.877 1.00 0.00 H new ATOM 1253 N GLY A 84 8.582 -2.496 4.502 1.00 0.00 N ATOM 1254 CA GLY A 84 10.051 -2.507 4.759 1.00 0.00 C ATOM 1255 C GLY A 84 10.315 -2.916 6.209 1.00 0.00 C ATOM 1256 O GLY A 84 10.879 -3.978 6.411 1.00 0.00 O ATOM 1257 OXT GLY A 84 9.947 -2.161 7.094 1.00 0.00 O ATOM 0 H GLY A 84 8.003 -2.830 5.273 1.00 0.00 H new ATOM 0 HA2 GLY A 84 10.544 -3.202 4.079 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.471 -1.520 4.567 1.00 0.00 H new