USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 538 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 20 SER OG : rot 43:sc= 0.393 USER MOD Set 1.2: A 46 CYS SG : rot 180:sc= 0.355 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.583 X(o=-0.58,f=-0.11) USER MOD Single : A 22 GLN : amide:sc= -0.342 X(o=-0.34,f=-0.34) USER MOD Single : A 26 GLN : amide:sc= 0.844 K(o=0.84,f=-0.78) USER MOD Single : A 28 TYR OH : rot 30:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 1.21 K(o=1.2,f=-7.1!) USER MOD Single : A 32 LYS NZ :NH3+ -174:sc= 0.737 (180deg=0.391) USER MOD Single : A 33 ASN : amide:sc= -1.05 X(o=-1.1,f=-0.65) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -175:sc= 1 (180deg=0.793) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0.722 K(o=0.72,f=-0.00041) USER MOD Single : A 51 CYS SG : rot 42:sc= -0.229 USER MOD Single : A 53 GLN : amide:sc= -0.201 X(o=-0.2,f=-0.43) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0.0649 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.844 K(o=-0.84,f=-0.16) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.0835 X(o=-0.084,f=-0.4) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.142 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= 0.564 K(o=0.56,f=0) USER MOD Single : A 80 ASN : amide:sc= -0.288 X(o=-0.29,f=-0.0063) USER MOD ----------------------------------------------------------------- ATOM 270 N LYS A 15 -3.512 -2.059 6.664 1.00 0.00 N ATOM 271 CA LYS A 15 -2.760 -3.081 7.370 1.00 0.00 C ATOM 272 C LYS A 15 -3.346 -4.451 7.019 1.00 0.00 C ATOM 273 O LYS A 15 -4.563 -4.636 7.067 1.00 0.00 O ATOM 274 CB LYS A 15 -2.776 -2.778 8.875 1.00 0.00 C ATOM 275 CG LYS A 15 -4.179 -2.864 9.492 1.00 0.00 C ATOM 276 CD LYS A 15 -4.323 -1.934 10.705 1.00 0.00 C ATOM 277 CE LYS A 15 -4.651 -0.497 10.258 1.00 0.00 C ATOM 278 NZ LYS A 15 -4.922 0.419 11.388 1.00 0.00 N ATOM 0 HA LYS A 15 -1.713 -3.088 7.066 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.117 -3.479 9.388 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -2.372 -1.779 9.043 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.924 -2.601 8.741 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.381 -3.891 9.795 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.111 -2.304 11.361 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.399 -1.938 11.283 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.818 -0.106 9.674 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.519 -0.518 9.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -5.136 1.369 11.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -5.735 0.067 11.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.086 0.466 12.005 1.00 0.00 H new ATOM 292 N TRP A 16 -2.486 -5.399 6.652 1.00 0.00 N ATOM 293 CA TRP A 16 -2.891 -6.736 6.249 1.00 0.00 C ATOM 294 C TRP A 16 -3.539 -7.509 7.407 1.00 0.00 C ATOM 295 O TRP A 16 -3.507 -7.076 8.560 1.00 0.00 O ATOM 296 CB TRP A 16 -1.665 -7.462 5.686 1.00 0.00 C ATOM 297 CG TRP A 16 -1.127 -6.908 4.399 1.00 0.00 C ATOM 298 CD1 TRP A 16 -0.076 -6.071 4.259 1.00 0.00 C ATOM 299 CD2 TRP A 16 -1.605 -7.164 3.048 1.00 0.00 C ATOM 300 NE1 TRP A 16 0.165 -5.843 2.918 1.00 0.00 N ATOM 301 CE2 TRP A 16 -0.753 -6.498 2.118 1.00 0.00 C ATOM 302 CE3 TRP A 16 -2.680 -7.896 2.513 1.00 0.00 C ATOM 303 CZ2 TRP A 16 -0.988 -6.543 0.734 1.00 0.00 C ATOM 304 CZ3 TRP A 16 -2.769 -8.133 1.133 1.00 0.00 C ATOM 305 CH2 TRP A 16 -1.986 -7.393 0.239 1.00 0.00 C ATOM 0 H TRP A 16 -1.477 -5.254 6.627 1.00 0.00 H new ATOM 0 HA TRP A 16 -3.656 -6.669 5.476 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -0.872 -7.435 6.434 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -1.923 -8.510 5.532 1.00 0.00 H new ATOM 0 HD1 TRP A 16 0.491 -5.644 5.073 1.00 0.00 H new ATOM 0 HE1 TRP A 16 0.925 -5.264 2.562 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -3.445 -8.280 3.171 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -0.407 -5.931 0.060 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -3.444 -8.889 0.759 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -2.150 -7.477 -0.825 1.00 0.00 H new ATOM 316 N GLY A 17 -4.163 -8.643 7.087 1.00 0.00 N ATOM 317 CA GLY A 17 -4.729 -9.558 8.074 1.00 0.00 C ATOM 318 C GLY A 17 -3.647 -10.452 8.685 1.00 0.00 C ATOM 319 O GLY A 17 -2.496 -10.381 8.253 1.00 0.00 O ATOM 0 H GLY A 17 -4.290 -8.954 6.124 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.221 -8.988 8.862 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.493 -10.177 7.604 1.00 0.00 H new ATOM 323 N PRO A 18 -4.001 -11.324 9.643 1.00 0.00 N ATOM 324 CA PRO A 18 -3.085 -12.310 10.186 1.00 0.00 C ATOM 325 C PRO A 18 -2.783 -13.357 9.118 1.00 0.00 C ATOM 326 O PRO A 18 -1.695 -13.412 8.557 1.00 0.00 O ATOM 327 CB PRO A 18 -3.775 -12.876 11.433 1.00 0.00 C ATOM 328 CG PRO A 18 -5.270 -12.613 11.223 1.00 0.00 C ATOM 329 CD PRO A 18 -5.319 -11.432 10.247 1.00 0.00 C ATOM 0 HA PRO A 18 -2.117 -11.898 10.472 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -3.575 -13.942 11.544 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -3.413 -12.388 12.338 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.773 -13.488 10.812 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -5.766 -12.372 12.163 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.081 -11.594 9.484 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -5.581 -10.511 10.769 1.00 0.00 H new ATOM 337 N ALA A 19 -3.790 -14.160 8.803 1.00 0.00 N ATOM 338 CA ALA A 19 -3.730 -15.244 7.830 1.00 0.00 C ATOM 339 C ALA A 19 -3.234 -14.755 6.474 1.00 0.00 C ATOM 340 O ALA A 19 -2.453 -15.424 5.808 1.00 0.00 O ATOM 341 CB ALA A 19 -5.119 -15.845 7.691 1.00 0.00 C ATOM 0 H ALA A 19 -4.709 -14.071 9.236 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.023 -15.995 8.182 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.093 -16.658 6.966 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.447 -16.230 8.657 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.815 -15.078 7.351 1.00 0.00 H new ATOM 347 N SER A 20 -3.679 -13.566 6.077 1.00 0.00 N ATOM 348 CA SER A 20 -3.159 -12.825 4.939 1.00 0.00 C ATOM 349 C SER A 20 -1.626 -12.933 4.820 1.00 0.00 C ATOM 350 O SER A 20 -1.092 -13.121 3.727 1.00 0.00 O ATOM 351 CB SER A 20 -3.605 -11.374 5.122 1.00 0.00 C ATOM 352 OG SER A 20 -3.269 -10.568 4.024 1.00 0.00 O ATOM 0 H SER A 20 -4.436 -13.079 6.556 1.00 0.00 H new ATOM 0 HA SER A 20 -3.548 -13.241 4.010 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.684 -11.345 5.274 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.145 -10.966 6.022 1.00 0.00 H new ATOM 0 HG SER A 20 -3.463 -11.050 3.193 1.00 0.00 H new ATOM 358 N GLN A 21 -0.896 -12.813 5.933 1.00 0.00 N ATOM 359 CA GLN A 21 0.554 -12.935 5.915 1.00 0.00 C ATOM 360 C GLN A 21 1.007 -14.262 5.307 1.00 0.00 C ATOM 361 O GLN A 21 2.022 -14.290 4.617 1.00 0.00 O ATOM 362 CB GLN A 21 1.155 -12.763 7.314 1.00 0.00 C ATOM 363 CG GLN A 21 0.847 -11.430 8.008 1.00 0.00 C ATOM 364 CD GLN A 21 1.358 -10.217 7.241 1.00 0.00 C ATOM 365 OE1 GLN A 21 2.365 -9.611 7.604 1.00 0.00 O ATOM 366 NE2 GLN A 21 0.673 -9.823 6.176 1.00 0.00 N ATOM 0 H GLN A 21 -1.291 -12.631 6.856 1.00 0.00 H new ATOM 0 HA GLN A 21 0.923 -12.128 5.282 1.00 0.00 H new ATOM 0 HB2 GLN A 21 0.794 -13.574 7.947 1.00 0.00 H new ATOM 0 HB3 GLN A 21 2.237 -12.873 7.241 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -0.231 -11.339 8.141 1.00 0.00 H new ATOM 0 HG3 GLN A 21 1.292 -11.435 9.003 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -0.160 -10.336 5.887 1.00 0.00 H new ATOM 0 HE22 GLN A 21 0.979 -9.007 5.646 1.00 0.00 H new ATOM 375 N GLN A 22 0.276 -15.350 5.537 1.00 0.00 N ATOM 376 CA GLN A 22 0.615 -16.653 4.998 1.00 0.00 C ATOM 377 C GLN A 22 0.723 -16.541 3.479 1.00 0.00 C ATOM 378 O GLN A 22 1.765 -16.833 2.893 1.00 0.00 O ATOM 379 CB GLN A 22 -0.433 -17.683 5.453 1.00 0.00 C ATOM 380 CG GLN A 22 0.152 -19.091 5.584 1.00 0.00 C ATOM 381 CD GLN A 22 1.216 -19.161 6.674 1.00 0.00 C ATOM 382 OE1 GLN A 22 2.389 -19.396 6.398 1.00 0.00 O ATOM 383 NE2 GLN A 22 0.841 -18.904 7.922 1.00 0.00 N ATOM 0 H GLN A 22 -0.571 -15.347 6.106 1.00 0.00 H new ATOM 0 HA GLN A 22 1.579 -16.998 5.372 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.849 -17.375 6.412 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -1.256 -17.699 4.739 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -0.647 -19.797 5.810 1.00 0.00 H new ATOM 0 HG3 GLN A 22 0.586 -19.395 4.632 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -0.139 -18.711 8.131 1.00 0.00 H new ATOM 0 HE22 GLN A 22 1.533 -18.899 8.672 1.00 0.00 H new ATOM 392 N ILE A 23 -0.332 -16.018 2.861 1.00 0.00 N ATOM 393 CA ILE A 23 -0.373 -15.768 1.434 1.00 0.00 C ATOM 394 C ILE A 23 0.800 -14.867 1.050 1.00 0.00 C ATOM 395 O ILE A 23 1.497 -15.094 0.065 1.00 0.00 O ATOM 396 CB ILE A 23 -1.724 -15.139 1.052 1.00 0.00 C ATOM 397 CG1 ILE A 23 -2.883 -16.125 1.216 1.00 0.00 C ATOM 398 CG2 ILE A 23 -1.731 -14.724 -0.422 1.00 0.00 C ATOM 399 CD1 ILE A 23 -3.376 -16.407 2.626 1.00 0.00 C ATOM 0 H ILE A 23 -1.189 -15.755 3.347 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.280 -16.704 0.884 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.851 -14.284 1.716 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.726 -15.752 0.634 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.583 -17.073 0.770 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.696 -14.282 -0.671 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.941 -13.994 -0.598 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.562 -15.600 -1.048 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.198 -17.122 2.588 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.562 -16.822 3.220 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.723 -15.480 3.083 1.00 0.00 H new ATOM 411 N LEU A 24 1.035 -13.815 1.823 1.00 0.00 N ATOM 412 CA LEU A 24 2.024 -12.818 1.445 1.00 0.00 C ATOM 413 C LEU A 24 3.446 -13.360 1.644 1.00 0.00 C ATOM 414 O LEU A 24 4.406 -12.735 1.196 1.00 0.00 O ATOM 415 CB LEU A 24 1.721 -11.530 2.208 1.00 0.00 C ATOM 416 CG LEU A 24 0.466 -10.919 1.559 1.00 0.00 C ATOM 417 CD1 LEU A 24 -0.326 -10.073 2.531 1.00 0.00 C ATOM 418 CD2 LEU A 24 0.769 -10.020 0.365 1.00 0.00 C ATOM 0 H LEU A 24 0.559 -13.632 2.706 1.00 0.00 H new ATOM 0 HA LEU A 24 1.966 -12.584 0.382 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.549 -11.737 3.264 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.562 -10.839 2.151 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.102 -11.790 1.233 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.202 -9.664 2.027 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.646 -10.688 3.372 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.298 -9.257 2.895 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.163 -9.626 -0.040 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.404 -9.193 0.684 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.283 -10.597 -0.404 1.00 0.00 H new ATOM 430 N PHE A 25 3.613 -14.513 2.296 1.00 0.00 N ATOM 431 CA PHE A 25 4.816 -15.316 2.142 1.00 0.00 C ATOM 432 C PHE A 25 4.696 -16.061 0.818 1.00 0.00 C ATOM 433 O PHE A 25 5.529 -15.857 -0.058 1.00 0.00 O ATOM 434 CB PHE A 25 5.029 -16.317 3.287 1.00 0.00 C ATOM 435 CG PHE A 25 5.421 -15.694 4.610 1.00 0.00 C ATOM 436 CD1 PHE A 25 6.656 -15.032 4.728 1.00 0.00 C ATOM 437 CD2 PHE A 25 4.573 -15.800 5.727 1.00 0.00 C ATOM 438 CE1 PHE A 25 7.015 -14.430 5.944 1.00 0.00 C ATOM 439 CE2 PHE A 25 4.915 -15.166 6.930 1.00 0.00 C ATOM 440 CZ PHE A 25 6.138 -14.485 7.037 1.00 0.00 C ATOM 0 H PHE A 25 2.924 -14.908 2.937 1.00 0.00 H new ATOM 0 HA PHE A 25 5.681 -14.653 2.162 1.00 0.00 H new ATOM 0 HB2 PHE A 25 4.111 -16.887 3.428 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.803 -17.026 2.992 1.00 0.00 H new ATOM 0 HD1 PHE A 25 7.328 -14.987 3.884 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.658 -16.370 5.658 1.00 0.00 H new ATOM 0 HE1 PHE A 25 7.965 -13.925 6.038 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.239 -15.201 7.772 1.00 0.00 H new ATOM 0 HZ PHE A 25 6.405 -14.001 7.965 1.00 0.00 H new ATOM 450 N GLN A 26 3.678 -16.920 0.689 1.00 0.00 N ATOM 451 CA GLN A 26 3.586 -17.913 -0.379 1.00 0.00 C ATOM 452 C GLN A 26 3.824 -17.258 -1.746 1.00 0.00 C ATOM 453 O GLN A 26 4.676 -17.695 -2.518 1.00 0.00 O ATOM 454 CB GLN A 26 2.269 -18.724 -0.272 1.00 0.00 C ATOM 455 CG GLN A 26 1.102 -18.243 -1.147 1.00 0.00 C ATOM 456 CD GLN A 26 -0.226 -18.942 -0.849 1.00 0.00 C ATOM 457 OE1 GLN A 26 -0.513 -19.279 0.295 1.00 0.00 O ATOM 458 NE2 GLN A 26 -1.052 -19.144 -1.872 1.00 0.00 N ATOM 0 H GLN A 26 2.887 -16.942 1.333 1.00 0.00 H new ATOM 0 HA GLN A 26 4.382 -18.649 -0.264 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.484 -19.761 -0.528 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.944 -18.713 0.768 1.00 0.00 H new ATOM 0 HG2 GLN A 26 0.975 -17.169 -1.008 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.357 -18.401 -2.195 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -0.782 -18.851 -2.811 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -1.955 -19.592 -1.717 1.00 0.00 H new ATOM 467 N ALA A 27 3.112 -16.165 -2.015 1.00 0.00 N ATOM 468 CA ALA A 27 3.121 -15.491 -3.290 1.00 0.00 C ATOM 469 C ALA A 27 4.444 -14.762 -3.464 1.00 0.00 C ATOM 470 O ALA A 27 5.105 -14.847 -4.496 1.00 0.00 O ATOM 471 CB ALA A 27 1.943 -14.516 -3.305 1.00 0.00 C ATOM 0 H ALA A 27 2.502 -15.721 -1.329 1.00 0.00 H new ATOM 0 HA ALA A 27 3.019 -16.196 -4.115 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.920 -13.988 -4.258 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.012 -15.068 -3.173 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.056 -13.796 -2.494 1.00 0.00 H new ATOM 477 N TYR A 28 4.851 -14.018 -2.431 1.00 0.00 N ATOM 478 CA TYR A 28 6.078 -13.249 -2.509 1.00 0.00 C ATOM 479 C TYR A 28 7.288 -14.161 -2.652 1.00 0.00 C ATOM 480 O TYR A 28 8.347 -13.717 -3.095 1.00 0.00 O ATOM 481 CB TYR A 28 6.230 -12.364 -1.270 1.00 0.00 C ATOM 482 CG TYR A 28 7.198 -11.193 -1.369 1.00 0.00 C ATOM 483 CD1 TYR A 28 7.444 -10.538 -2.597 1.00 0.00 C ATOM 484 CD2 TYR A 28 7.737 -10.649 -0.189 1.00 0.00 C ATOM 485 CE1 TYR A 28 8.128 -9.315 -2.627 1.00 0.00 C ATOM 486 CE2 TYR A 28 8.490 -9.462 -0.234 1.00 0.00 C ATOM 487 CZ TYR A 28 8.674 -8.789 -1.451 1.00 0.00 C ATOM 488 OH TYR A 28 9.375 -7.627 -1.515 1.00 0.00 O ATOM 0 H TYR A 28 4.351 -13.938 -1.546 1.00 0.00 H new ATOM 0 HA TYR A 28 6.022 -12.615 -3.394 1.00 0.00 H new ATOM 0 HB2 TYR A 28 5.247 -11.969 -1.013 1.00 0.00 H new ATOM 0 HB3 TYR A 28 6.547 -12.995 -0.440 1.00 0.00 H new ATOM 0 HD1 TYR A 28 7.102 -10.983 -3.520 1.00 0.00 H new ATOM 0 HD2 TYR A 28 7.572 -11.145 0.756 1.00 0.00 H new ATOM 0 HE1 TYR A 28 8.234 -8.778 -3.558 1.00 0.00 H new ATOM 0 HE2 TYR A 28 8.928 -9.067 0.671 1.00 0.00 H new ATOM 0 HH TYR A 28 9.027 -7.075 -2.246 1.00 0.00 H new ATOM 498 N GLU A 29 7.182 -15.411 -2.212 1.00 0.00 N ATOM 499 CA GLU A 29 8.221 -16.374 -2.457 1.00 0.00 C ATOM 500 C GLU A 29 8.124 -16.887 -3.879 1.00 0.00 C ATOM 501 O GLU A 29 9.100 -16.813 -4.627 1.00 0.00 O ATOM 502 CB GLU A 29 8.214 -17.484 -1.405 1.00 0.00 C ATOM 503 CG GLU A 29 9.642 -18.024 -1.292 1.00 0.00 C ATOM 504 CD GLU A 29 10.601 -16.949 -0.793 1.00 0.00 C ATOM 505 OE1 GLU A 29 10.289 -16.322 0.238 1.00 0.00 O ATOM 506 OE2 GLU A 29 11.482 -16.546 -1.582 1.00 0.00 O ATOM 0 H GLU A 29 6.385 -15.769 -1.686 1.00 0.00 H new ATOM 0 HA GLU A 29 9.192 -15.890 -2.358 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.873 -17.099 -0.444 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.526 -18.279 -1.692 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.659 -18.875 -0.611 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.974 -18.388 -2.264 1.00 0.00 H new ATOM 513 N ARG A 30 6.950 -17.371 -4.268 1.00 0.00 N ATOM 514 CA ARG A 30 6.876 -18.206 -5.444 1.00 0.00 C ATOM 515 C ARG A 30 7.056 -17.312 -6.674 1.00 0.00 C ATOM 516 O ARG A 30 7.802 -17.671 -7.585 1.00 0.00 O ATOM 517 CB ARG A 30 5.537 -18.964 -5.445 1.00 0.00 C ATOM 518 CG ARG A 30 5.372 -19.961 -6.609 1.00 0.00 C ATOM 519 CD ARG A 30 4.759 -19.357 -7.884 1.00 0.00 C ATOM 520 NE ARG A 30 3.446 -18.740 -7.619 1.00 0.00 N ATOM 521 CZ ARG A 30 2.225 -19.249 -7.858 1.00 0.00 C ATOM 522 NH1 ARG A 30 2.088 -20.438 -8.448 1.00 0.00 N ATOM 523 NH2 ARG A 30 1.142 -18.584 -7.460 1.00 0.00 N ATOM 0 H ARG A 30 6.062 -17.202 -3.796 1.00 0.00 H new ATOM 0 HA ARG A 30 7.664 -18.958 -5.456 1.00 0.00 H new ATOM 0 HB2 ARG A 30 5.438 -19.504 -4.503 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.723 -18.240 -5.484 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.348 -20.379 -6.853 1.00 0.00 H new ATOM 0 HG3 ARG A 30 4.745 -20.788 -6.276 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.437 -18.608 -8.294 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.649 -20.135 -8.639 1.00 0.00 H new ATOM 0 HE ARG A 30 3.467 -17.810 -7.202 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.914 -20.970 -8.722 1.00 0.00 H new ATOM 0 HH12 ARG A 30 1.157 -20.815 -8.625 1.00 0.00 H new ATOM 0 HH21 ARG A 30 1.241 -17.692 -6.976 1.00 0.00 H new ATOM 0 HH22 ARG A 30 0.214 -18.967 -7.640 1.00 0.00 H new ATOM 537 N GLN A 31 6.426 -16.136 -6.697 1.00 0.00 N ATOM 538 CA GLN A 31 6.562 -15.174 -7.778 1.00 0.00 C ATOM 539 C GLN A 31 7.010 -13.819 -7.209 1.00 0.00 C ATOM 540 O GLN A 31 6.379 -12.781 -7.409 1.00 0.00 O ATOM 541 CB GLN A 31 5.257 -15.147 -8.587 1.00 0.00 C ATOM 542 CG GLN A 31 5.481 -14.826 -10.065 1.00 0.00 C ATOM 543 CD GLN A 31 4.157 -14.835 -10.816 1.00 0.00 C ATOM 544 OE1 GLN A 31 3.525 -13.793 -10.991 1.00 0.00 O ATOM 545 NE2 GLN A 31 3.713 -15.998 -11.261 1.00 0.00 N ATOM 0 H GLN A 31 5.800 -15.827 -5.953 1.00 0.00 H new ATOM 0 HA GLN A 31 7.344 -15.459 -8.482 1.00 0.00 H new ATOM 0 HB2 GLN A 31 4.762 -16.114 -8.501 1.00 0.00 H new ATOM 0 HB3 GLN A 31 4.584 -14.405 -8.157 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.956 -13.850 -10.164 1.00 0.00 H new ATOM 0 HG3 GLN A 31 6.160 -15.557 -10.504 1.00 0.00 H new ATOM 0 HE21 GLN A 31 4.257 -16.846 -11.102 1.00 0.00 H new ATOM 0 HE22 GLN A 31 2.827 -16.047 -11.763 1.00 0.00 H new ATOM 554 N LYS A 32 8.174 -13.827 -6.549 1.00 0.00 N ATOM 555 CA LYS A 32 8.876 -12.670 -5.985 1.00 0.00 C ATOM 556 C LYS A 32 8.927 -11.466 -6.941 1.00 0.00 C ATOM 557 O LYS A 32 8.997 -10.318 -6.484 1.00 0.00 O ATOM 558 CB LYS A 32 10.291 -13.148 -5.591 1.00 0.00 C ATOM 559 CG LYS A 32 11.241 -12.149 -4.897 1.00 0.00 C ATOM 560 CD LYS A 32 10.948 -11.819 -3.420 1.00 0.00 C ATOM 561 CE LYS A 32 11.557 -12.801 -2.399 1.00 0.00 C ATOM 562 NZ LYS A 32 10.989 -14.155 -2.500 1.00 0.00 N ATOM 0 H LYS A 32 8.682 -14.696 -6.385 1.00 0.00 H new ATOM 0 HA LYS A 32 8.331 -12.304 -5.115 1.00 0.00 H new ATOM 0 HB2 LYS A 32 10.178 -14.010 -4.933 1.00 0.00 H new ATOM 0 HB3 LYS A 32 10.785 -13.501 -6.496 1.00 0.00 H new ATOM 0 HG2 LYS A 32 12.255 -12.544 -4.962 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.225 -11.217 -5.462 1.00 0.00 H new ATOM 0 HD2 LYS A 32 11.322 -10.818 -3.206 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.868 -11.793 -3.277 1.00 0.00 H new ATOM 0 HE2 LYS A 32 12.635 -12.852 -2.550 1.00 0.00 H new ATOM 0 HE3 LYS A 32 11.394 -12.418 -1.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 11.359 -14.745 -1.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.953 -14.103 -2.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 11.254 -14.575 -3.414 1.00 0.00 H new ATOM 576 N ASN A 33 8.937 -11.722 -8.253 1.00 0.00 N ATOM 577 CA ASN A 33 8.696 -10.742 -9.305 1.00 0.00 C ATOM 578 C ASN A 33 7.265 -10.952 -9.834 1.00 0.00 C ATOM 579 O ASN A 33 7.050 -11.809 -10.682 1.00 0.00 O ATOM 580 CB ASN A 33 9.766 -10.846 -10.409 1.00 0.00 C ATOM 581 CG ASN A 33 9.743 -12.136 -11.230 1.00 0.00 C ATOM 582 OD1 ASN A 33 9.365 -12.129 -12.394 1.00 0.00 O ATOM 583 ND2 ASN A 33 10.187 -13.247 -10.652 1.00 0.00 N ATOM 0 H ASN A 33 9.121 -12.656 -8.621 1.00 0.00 H new ATOM 0 HA ASN A 33 8.776 -9.728 -8.913 1.00 0.00 H new ATOM 0 HB2 ASN A 33 9.645 -10.002 -11.088 1.00 0.00 H new ATOM 0 HB3 ASN A 33 10.749 -10.747 -9.948 1.00 0.00 H new ATOM 0 HD21 ASN A 33 10.218 -14.119 -11.180 1.00 0.00 H new ATOM 0 HD22 ASN A 33 10.497 -13.228 -9.680 1.00 0.00 H new ATOM 590 N PRO A 34 6.259 -10.235 -9.312 1.00 0.00 N ATOM 591 CA PRO A 34 4.864 -10.589 -9.533 1.00 0.00 C ATOM 592 C PRO A 34 4.405 -10.261 -10.963 1.00 0.00 C ATOM 593 O PRO A 34 4.166 -9.098 -11.294 1.00 0.00 O ATOM 594 CB PRO A 34 4.092 -9.810 -8.466 1.00 0.00 C ATOM 595 CG PRO A 34 4.975 -8.602 -8.169 1.00 0.00 C ATOM 596 CD PRO A 34 6.375 -9.186 -8.312 1.00 0.00 C ATOM 0 HA PRO A 34 4.692 -11.662 -9.443 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.110 -9.506 -8.828 1.00 0.00 H new ATOM 0 HB3 PRO A 34 3.929 -10.413 -7.573 1.00 0.00 H new ATOM 0 HG2 PRO A 34 4.800 -7.787 -8.871 1.00 0.00 H new ATOM 0 HG3 PRO A 34 4.799 -8.205 -7.169 1.00 0.00 H new ATOM 0 HD2 PRO A 34 7.088 -8.423 -8.625 1.00 0.00 H new ATOM 0 HD3 PRO A 34 6.732 -9.586 -7.363 1.00 0.00 H new ATOM 604 N SER A 35 4.245 -11.292 -11.795 1.00 0.00 N ATOM 605 CA SER A 35 3.880 -11.186 -13.205 1.00 0.00 C ATOM 606 C SER A 35 2.383 -10.864 -13.356 1.00 0.00 C ATOM 607 O SER A 35 1.993 -9.726 -13.092 1.00 0.00 O ATOM 608 CB SER A 35 4.327 -12.468 -13.932 1.00 0.00 C ATOM 609 OG SER A 35 3.979 -12.415 -15.301 1.00 0.00 O ATOM 0 H SER A 35 4.371 -12.258 -11.492 1.00 0.00 H new ATOM 0 HA SER A 35 4.398 -10.352 -13.679 1.00 0.00 H new ATOM 0 HB2 SER A 35 5.405 -12.592 -13.831 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.861 -13.337 -13.467 1.00 0.00 H new ATOM 0 HG SER A 35 4.273 -13.238 -15.745 1.00 0.00 H new ATOM 615 N LYS A 36 1.541 -11.822 -13.766 1.00 0.00 N ATOM 616 CA LYS A 36 0.108 -11.608 -13.957 1.00 0.00 C ATOM 617 C LYS A 36 -0.715 -12.360 -12.923 1.00 0.00 C ATOM 618 O LYS A 36 -1.501 -11.767 -12.182 1.00 0.00 O ATOM 619 CB LYS A 36 -0.304 -11.991 -15.393 1.00 0.00 C ATOM 620 CG LYS A 36 -1.465 -11.172 -15.991 1.00 0.00 C ATOM 621 CD LYS A 36 -2.734 -11.004 -15.131 1.00 0.00 C ATOM 622 CE LYS A 36 -3.461 -12.314 -14.781 1.00 0.00 C ATOM 623 NZ LYS A 36 -4.506 -12.084 -13.760 1.00 0.00 N ATOM 0 H LYS A 36 1.842 -12.774 -13.975 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.097 -10.547 -13.813 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.565 -11.884 -16.042 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.583 -13.045 -15.404 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.087 -10.178 -16.231 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.756 -11.638 -16.932 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.462 -10.498 -14.204 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.429 -10.351 -15.659 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.912 -12.735 -15.680 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.742 -13.046 -14.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.924 -12.994 -13.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.083 -11.626 -12.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.247 -11.470 -14.154 1.00 0.00 H new ATOM 637 N GLU A 37 -0.611 -13.682 -12.962 1.00 0.00 N ATOM 638 CA GLU A 37 -1.462 -14.586 -12.223 1.00 0.00 C ATOM 639 C GLU A 37 -1.288 -14.363 -10.723 1.00 0.00 C ATOM 640 O GLU A 37 -2.297 -14.212 -10.032 1.00 0.00 O ATOM 641 CB GLU A 37 -1.254 -15.999 -12.767 1.00 0.00 C ATOM 642 CG GLU A 37 -1.176 -17.053 -11.678 1.00 0.00 C ATOM 643 CD GLU A 37 0.229 -17.168 -11.118 1.00 0.00 C ATOM 644 OE1 GLU A 37 1.073 -16.351 -11.550 1.00 0.00 O ATOM 645 OE2 GLU A 37 0.404 -18.004 -10.212 1.00 0.00 O ATOM 0 H GLU A 37 0.090 -14.162 -13.527 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.525 -14.393 -12.369 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -2.072 -16.245 -13.444 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.336 -16.024 -13.354 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -1.870 -16.801 -10.876 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.489 -18.017 -12.079 1.00 0.00 H new ATOM 652 N GLU A 38 -0.038 -14.304 -10.246 1.00 0.00 N ATOM 653 CA GLU A 38 0.240 -14.335 -8.812 1.00 0.00 C ATOM 654 C GLU A 38 -0.625 -13.300 -8.116 1.00 0.00 C ATOM 655 O GLU A 38 -1.331 -13.623 -7.174 1.00 0.00 O ATOM 656 CB GLU A 38 1.729 -14.122 -8.484 1.00 0.00 C ATOM 657 CG GLU A 38 2.012 -14.218 -6.978 1.00 0.00 C ATOM 658 CD GLU A 38 2.033 -15.659 -6.522 1.00 0.00 C ATOM 659 OE1 GLU A 38 3.111 -16.273 -6.592 1.00 0.00 O ATOM 660 OE2 GLU A 38 0.966 -16.184 -6.145 1.00 0.00 O ATOM 0 H GLU A 38 0.793 -14.235 -10.834 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.005 -15.332 -8.445 1.00 0.00 H new ATOM 0 HB2 GLU A 38 2.325 -14.866 -9.012 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.043 -13.144 -8.849 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.969 -13.748 -6.753 1.00 0.00 H new ATOM 0 HG3 GLU A 38 1.250 -13.669 -6.425 1.00 0.00 H new ATOM 667 N ARG A 39 -0.596 -12.052 -8.580 1.00 0.00 N ATOM 668 CA ARG A 39 -1.309 -11.000 -7.884 1.00 0.00 C ATOM 669 C ARG A 39 -2.811 -11.251 -7.818 1.00 0.00 C ATOM 670 O ARG A 39 -3.404 -11.058 -6.759 1.00 0.00 O ATOM 671 CB ARG A 39 -1.018 -9.638 -8.521 1.00 0.00 C ATOM 672 CG ARG A 39 0.457 -9.279 -8.346 1.00 0.00 C ATOM 673 CD ARG A 39 0.792 -7.934 -9.002 1.00 0.00 C ATOM 674 NE ARG A 39 1.365 -8.107 -10.349 1.00 0.00 N ATOM 675 CZ ARG A 39 1.461 -7.145 -11.282 1.00 0.00 C ATOM 676 NH1 ARG A 39 0.633 -6.102 -11.290 1.00 0.00 N ATOM 677 NH2 ARG A 39 2.407 -7.211 -12.213 1.00 0.00 N ATOM 0 H ARG A 39 -0.096 -11.755 -9.418 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.944 -10.998 -6.857 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -1.271 -9.662 -9.581 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -1.643 -8.872 -8.062 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.698 -9.237 -7.284 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.077 -10.062 -8.783 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.111 -7.327 -9.067 1.00 0.00 H new ATOM 0 HD3 ARG A 39 1.498 -7.390 -8.374 1.00 0.00 H new ATOM 0 HE ARG A 39 1.717 -9.033 -10.593 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.093 -6.022 -10.578 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.725 -5.384 -12.008 1.00 0.00 H new ATOM 0 HH21 ARG A 39 3.062 -7.993 -12.220 1.00 0.00 H new ATOM 0 HH22 ARG A 39 2.478 -6.480 -12.920 1.00 0.00 H new ATOM 691 N GLU A 40 -3.421 -11.664 -8.930 1.00 0.00 N ATOM 692 CA GLU A 40 -4.846 -11.959 -8.954 1.00 0.00 C ATOM 693 C GLU A 40 -5.129 -13.000 -7.867 1.00 0.00 C ATOM 694 O GLU A 40 -5.917 -12.755 -6.955 1.00 0.00 O ATOM 695 CB GLU A 40 -5.263 -12.451 -10.344 1.00 0.00 C ATOM 696 CG GLU A 40 -6.208 -11.460 -11.046 1.00 0.00 C ATOM 697 CD GLU A 40 -5.504 -10.198 -11.496 1.00 0.00 C ATOM 698 OE1 GLU A 40 -4.288 -10.285 -11.773 1.00 0.00 O ATOM 699 OE2 GLU A 40 -6.184 -9.168 -11.676 1.00 0.00 O ATOM 0 H GLU A 40 -2.947 -11.800 -9.823 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.432 -11.063 -8.751 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.374 -12.601 -10.957 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.755 -13.419 -10.253 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.660 -11.946 -11.910 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.019 -11.196 -10.368 1.00 0.00 H new ATOM 706 N THR A 41 -4.421 -14.124 -7.953 1.00 0.00 N ATOM 707 CA THR A 41 -4.400 -15.156 -6.935 1.00 0.00 C ATOM 708 C THR A 41 -4.236 -14.540 -5.545 1.00 0.00 C ATOM 709 O THR A 41 -4.916 -14.938 -4.616 1.00 0.00 O ATOM 710 CB THR A 41 -3.271 -16.152 -7.251 1.00 0.00 C ATOM 711 OG1 THR A 41 -3.733 -17.181 -8.112 1.00 0.00 O ATOM 712 CG2 THR A 41 -2.591 -16.722 -6.000 1.00 0.00 C ATOM 0 H THR A 41 -3.832 -14.342 -8.757 1.00 0.00 H new ATOM 0 HA THR A 41 -5.349 -15.692 -6.937 1.00 0.00 H new ATOM 0 HB THR A 41 -2.497 -15.588 -7.771 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.000 -17.803 -8.302 1.00 0.00 H new ATOM 0 HG21 THR A 41 -1.805 -17.417 -6.297 1.00 0.00 H new ATOM 0 HG22 THR A 41 -2.155 -15.908 -5.420 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.328 -17.247 -5.392 1.00 0.00 H new ATOM 720 N LEU A 42 -3.309 -13.607 -5.370 1.00 0.00 N ATOM 721 CA LEU A 42 -2.946 -13.098 -4.065 1.00 0.00 C ATOM 722 C LEU A 42 -4.172 -12.424 -3.464 1.00 0.00 C ATOM 723 O LEU A 42 -4.506 -12.664 -2.308 1.00 0.00 O ATOM 724 CB LEU A 42 -1.738 -12.156 -4.195 1.00 0.00 C ATOM 725 CG LEU A 42 -0.742 -12.289 -3.042 1.00 0.00 C ATOM 726 CD1 LEU A 42 0.543 -11.538 -3.381 1.00 0.00 C ATOM 727 CD2 LEU A 42 -1.274 -11.721 -1.737 1.00 0.00 C ATOM 0 H LEU A 42 -2.788 -13.183 -6.138 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.639 -13.898 -3.392 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.225 -12.361 -5.135 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.092 -11.126 -4.243 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.563 -13.356 -2.911 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.250 -11.635 -2.557 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.982 -11.957 -4.286 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.317 -10.484 -3.542 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.525 -11.843 -0.955 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.496 -10.661 -1.865 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.184 -12.250 -1.454 1.00 0.00 H new ATOM 739 N VAL A 43 -4.865 -11.604 -4.256 1.00 0.00 N ATOM 740 CA VAL A 43 -6.132 -11.040 -3.827 1.00 0.00 C ATOM 741 C VAL A 43 -7.097 -12.161 -3.442 1.00 0.00 C ATOM 742 O VAL A 43 -7.647 -12.137 -2.348 1.00 0.00 O ATOM 743 CB VAL A 43 -6.751 -10.139 -4.907 1.00 0.00 C ATOM 744 CG1 VAL A 43 -8.012 -9.487 -4.327 1.00 0.00 C ATOM 745 CG2 VAL A 43 -5.816 -9.017 -5.348 1.00 0.00 C ATOM 0 H VAL A 43 -4.568 -11.321 -5.190 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.943 -10.414 -2.955 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.962 -10.767 -5.773 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.467 -8.842 -5.079 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.721 -10.262 -4.036 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.745 -8.893 -3.453 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -6.307 -8.414 -6.112 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.571 -8.389 -4.491 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.901 -9.446 -5.757 1.00 0.00 H new ATOM 755 N GLU A 44 -7.312 -13.101 -4.357 1.00 0.00 N ATOM 756 CA GLU A 44 -8.261 -14.205 -4.264 1.00 0.00 C ATOM 757 C GLU A 44 -8.048 -14.991 -2.955 1.00 0.00 C ATOM 758 O GLU A 44 -8.884 -15.005 -2.054 1.00 0.00 O ATOM 759 CB GLU A 44 -8.043 -15.035 -5.549 1.00 0.00 C ATOM 760 CG GLU A 44 -9.256 -15.774 -6.101 1.00 0.00 C ATOM 761 CD GLU A 44 -9.562 -17.007 -5.288 1.00 0.00 C ATOM 762 OE1 GLU A 44 -8.731 -17.935 -5.316 1.00 0.00 O ATOM 763 OE2 GLU A 44 -10.583 -17.025 -4.575 1.00 0.00 O ATOM 0 H GLU A 44 -6.797 -13.113 -5.237 1.00 0.00 H new ATOM 0 HA GLU A 44 -9.300 -13.881 -4.212 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.669 -14.368 -6.325 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.259 -15.767 -5.353 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -10.121 -15.111 -6.099 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -9.072 -16.056 -7.138 1.00 0.00 H new ATOM 770 N GLU A 45 -6.872 -15.589 -2.824 1.00 0.00 N ATOM 771 CA GLU A 45 -6.379 -16.306 -1.667 1.00 0.00 C ATOM 772 C GLU A 45 -6.571 -15.469 -0.399 1.00 0.00 C ATOM 773 O GLU A 45 -7.140 -15.930 0.589 1.00 0.00 O ATOM 774 CB GLU A 45 -4.905 -16.635 -1.952 1.00 0.00 C ATOM 775 CG GLU A 45 -4.305 -17.746 -1.100 1.00 0.00 C ATOM 776 CD GLU A 45 -4.712 -19.138 -1.511 1.00 0.00 C ATOM 777 OE1 GLU A 45 -5.904 -19.472 -1.320 1.00 0.00 O ATOM 778 OE2 GLU A 45 -3.812 -19.882 -1.948 1.00 0.00 O ATOM 0 H GLU A 45 -6.191 -15.582 -3.583 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.930 -17.230 -1.492 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.809 -16.914 -3.001 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.314 -15.730 -1.807 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -3.218 -17.672 -1.141 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -4.596 -17.588 -0.062 1.00 0.00 H new ATOM 785 N CYS A 46 -6.119 -14.215 -0.415 1.00 0.00 N ATOM 786 CA CYS A 46 -6.258 -13.340 0.745 1.00 0.00 C ATOM 787 C CYS A 46 -7.724 -13.112 1.085 1.00 0.00 C ATOM 788 O CYS A 46 -8.083 -13.097 2.257 1.00 0.00 O ATOM 789 CB CYS A 46 -5.607 -11.981 0.500 1.00 0.00 C ATOM 790 SG CYS A 46 -3.864 -12.044 0.965 1.00 0.00 S ATOM 0 H CYS A 46 -5.656 -13.785 -1.216 1.00 0.00 H new ATOM 0 HA CYS A 46 -5.758 -13.839 1.575 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -5.703 -11.706 -0.550 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -6.120 -11.213 1.079 1.00 0.00 H new ATOM 0 HG CYS A 46 -3.316 -10.885 0.752 1.00 0.00 H new ATOM 796 N ASN A 47 -8.563 -12.898 0.072 1.00 0.00 N ATOM 797 CA ASN A 47 -9.999 -12.687 0.219 1.00 0.00 C ATOM 798 C ASN A 47 -10.562 -13.894 0.951 1.00 0.00 C ATOM 799 O ASN A 47 -11.277 -13.741 1.940 1.00 0.00 O ATOM 800 CB ASN A 47 -10.685 -12.486 -1.152 1.00 0.00 C ATOM 801 CG ASN A 47 -10.729 -11.029 -1.595 1.00 0.00 C ATOM 802 OD1 ASN A 47 -11.739 -10.533 -2.088 1.00 0.00 O ATOM 803 ND2 ASN A 47 -9.608 -10.335 -1.488 1.00 0.00 N ATOM 0 H ASN A 47 -8.252 -12.866 -0.899 1.00 0.00 H new ATOM 0 HA ASN A 47 -10.190 -11.777 0.788 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -10.157 -13.072 -1.904 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -11.702 -12.874 -1.102 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -9.572 -9.370 -1.818 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -8.780 -10.764 -1.076 1.00 0.00 H new ATOM 810 N ARG A 48 -10.171 -15.089 0.503 1.00 0.00 N ATOM 811 CA ARG A 48 -10.468 -16.344 1.171 1.00 0.00 C ATOM 812 C ARG A 48 -10.089 -16.224 2.645 1.00 0.00 C ATOM 813 O ARG A 48 -10.921 -16.340 3.534 1.00 0.00 O ATOM 814 CB ARG A 48 -9.723 -17.500 0.484 1.00 0.00 C ATOM 815 CG ARG A 48 -10.660 -18.684 0.223 1.00 0.00 C ATOM 816 CD ARG A 48 -9.861 -19.915 -0.227 1.00 0.00 C ATOM 817 NE ARG A 48 -8.759 -19.576 -1.143 1.00 0.00 N ATOM 818 CZ ARG A 48 -8.874 -19.268 -2.441 1.00 0.00 C ATOM 819 NH1 ARG A 48 -10.082 -19.096 -2.970 1.00 0.00 N ATOM 820 NH2 ARG A 48 -7.779 -19.126 -3.176 1.00 0.00 N ATOM 0 H ARG A 48 -9.628 -15.206 -0.353 1.00 0.00 H new ATOM 0 HA ARG A 48 -11.534 -16.561 1.104 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -9.299 -17.154 -0.458 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -8.890 -17.822 1.109 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -11.220 -18.918 1.128 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -11.389 -18.417 -0.542 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -9.456 -20.420 0.650 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -10.533 -20.619 -0.719 1.00 0.00 H new ATOM 0 HE ARG A 48 -7.817 -19.576 -0.751 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -10.913 -19.199 -2.388 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -10.177 -18.861 -3.958 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -6.860 -19.251 -2.752 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -7.856 -18.891 -4.166 1.00 0.00 H new ATOM 834 N ALA A 49 -8.816 -15.960 2.915 1.00 0.00 N ATOM 835 CA ALA A 49 -8.290 -15.980 4.268 1.00 0.00 C ATOM 836 C ALA A 49 -8.821 -14.846 5.138 1.00 0.00 C ATOM 837 O ALA A 49 -8.704 -14.928 6.367 1.00 0.00 O ATOM 838 CB ALA A 49 -6.764 -15.991 4.219 1.00 0.00 C ATOM 0 H ALA A 49 -8.124 -15.727 2.203 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.642 -16.894 4.747 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.367 -16.006 5.234 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.424 -16.877 3.683 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.410 -15.098 3.704 1.00 0.00 H new ATOM 844 N GLU A 50 -9.353 -13.771 4.554 1.00 0.00 N ATOM 845 CA GLU A 50 -10.109 -12.791 5.305 1.00 0.00 C ATOM 846 C GLU A 50 -11.535 -13.302 5.560 1.00 0.00 C ATOM 847 O GLU A 50 -12.054 -13.093 6.658 1.00 0.00 O ATOM 848 CB GLU A 50 -10.077 -11.407 4.659 1.00 0.00 C ATOM 849 CG GLU A 50 -8.743 -10.653 4.820 1.00 0.00 C ATOM 850 CD GLU A 50 -8.987 -9.149 4.776 1.00 0.00 C ATOM 851 OE1 GLU A 50 -9.195 -8.610 3.672 1.00 0.00 O ATOM 852 OE2 GLU A 50 -9.050 -8.561 5.882 1.00 0.00 O ATOM 0 H GLU A 50 -9.269 -13.564 3.559 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.628 -12.661 6.274 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -10.294 -11.512 3.596 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.875 -10.802 5.089 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.273 -10.926 5.765 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.054 -10.942 4.026 1.00 0.00 H new ATOM 859 N CYS A 51 -12.156 -14.026 4.626 1.00 0.00 N ATOM 860 CA CYS A 51 -13.440 -14.689 4.874 1.00 0.00 C ATOM 861 C CYS A 51 -13.275 -15.999 5.662 1.00 0.00 C ATOM 862 O CYS A 51 -13.844 -17.040 5.346 1.00 0.00 O ATOM 863 CB CYS A 51 -14.319 -14.796 3.617 1.00 0.00 C ATOM 864 SG CYS A 51 -13.944 -16.189 2.522 1.00 0.00 S ATOM 0 H CYS A 51 -11.788 -14.169 3.685 1.00 0.00 H new ATOM 0 HA CYS A 51 -14.012 -14.036 5.533 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -15.361 -14.871 3.928 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -14.222 -13.872 3.047 1.00 0.00 H new ATOM 0 HG CYS A 51 -13.713 -17.251 3.235 1.00 0.00 H new ATOM 870 N ILE A 52 -12.526 -15.909 6.763 1.00 0.00 N ATOM 871 CA ILE A 52 -12.374 -16.898 7.814 1.00 0.00 C ATOM 872 C ILE A 52 -12.416 -16.145 9.146 1.00 0.00 C ATOM 873 O ILE A 52 -13.273 -16.393 9.993 1.00 0.00 O ATOM 874 CB ILE A 52 -11.050 -17.660 7.597 1.00 0.00 C ATOM 875 CG1 ILE A 52 -11.133 -18.388 6.251 1.00 0.00 C ATOM 876 CG2 ILE A 52 -10.755 -18.619 8.761 1.00 0.00 C ATOM 877 CD1 ILE A 52 -10.168 -19.558 6.062 1.00 0.00 C ATOM 0 H ILE A 52 -11.970 -15.075 6.950 1.00 0.00 H new ATOM 0 HA ILE A 52 -13.170 -17.643 7.808 1.00 0.00 H new ATOM 0 HB ILE A 52 -10.216 -16.959 7.574 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -12.150 -18.757 6.122 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -10.954 -17.663 5.457 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -9.815 -19.139 8.575 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -10.678 -18.052 9.689 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -11.562 -19.347 8.846 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -10.316 -19.996 5.075 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -9.142 -19.201 6.150 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -10.357 -20.312 6.826 1.00 0.00 H new ATOM 889 N GLN A 53 -11.501 -15.185 9.319 1.00 0.00 N ATOM 890 CA GLN A 53 -11.303 -14.448 10.566 1.00 0.00 C ATOM 891 C GLN A 53 -12.613 -13.903 11.142 1.00 0.00 C ATOM 892 O GLN A 53 -12.818 -13.958 12.354 1.00 0.00 O ATOM 893 CB GLN A 53 -10.272 -13.316 10.391 1.00 0.00 C ATOM 894 CG GLN A 53 -10.507 -12.515 9.109 1.00 0.00 C ATOM 895 CD GLN A 53 -9.688 -11.238 9.030 1.00 0.00 C ATOM 896 OE1 GLN A 53 -10.170 -10.163 9.393 1.00 0.00 O ATOM 897 NE2 GLN A 53 -8.459 -11.335 8.538 1.00 0.00 N ATOM 0 H GLN A 53 -10.864 -14.894 8.577 1.00 0.00 H new ATOM 0 HA GLN A 53 -10.910 -15.164 11.287 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.320 -12.647 11.250 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -9.268 -13.740 10.374 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.270 -13.143 8.250 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -11.565 -12.263 9.037 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -8.096 -12.243 8.248 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.878 -10.501 8.450 1.00 0.00 H new ATOM 906 N ARG A 54 -13.494 -13.361 10.297 1.00 0.00 N ATOM 907 CA ARG A 54 -14.769 -12.804 10.713 1.00 0.00 C ATOM 908 C ARG A 54 -15.879 -13.535 9.960 1.00 0.00 C ATOM 909 O ARG A 54 -16.873 -12.922 9.570 1.00 0.00 O ATOM 910 CB ARG A 54 -14.774 -11.292 10.443 1.00 0.00 C ATOM 911 CG ARG A 54 -13.646 -10.556 11.189 1.00 0.00 C ATOM 912 CD ARG A 54 -13.888 -9.039 11.255 1.00 0.00 C ATOM 913 NE ARG A 54 -13.904 -8.398 9.931 1.00 0.00 N ATOM 914 CZ ARG A 54 -14.554 -7.259 9.640 1.00 0.00 C ATOM 915 NH1 ARG A 54 -15.040 -6.465 10.592 1.00 0.00 N ATOM 916 NH2 ARG A 54 -14.706 -6.898 8.368 1.00 0.00 N ATOM 0 H ARG A 54 -13.332 -13.299 9.292 1.00 0.00 H new ATOM 0 HA ARG A 54 -14.935 -12.941 11.782 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -14.671 -11.117 9.372 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -15.736 -10.876 10.743 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -13.562 -10.953 12.201 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -12.696 -10.750 10.691 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -14.838 -8.850 11.755 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -13.110 -8.579 11.865 1.00 0.00 H new ATOM 0 HE ARG A 54 -13.384 -8.851 9.180 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -14.923 -6.715 11.574 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -15.529 -5.606 10.339 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -14.330 -7.485 7.623 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -15.198 -6.035 8.138 1.00 0.00 H new ATOM 930 N GLY A 55 -15.680 -14.829 9.702 1.00 0.00 N ATOM 931 CA GLY A 55 -16.535 -15.628 8.848 1.00 0.00 C ATOM 932 C GLY A 55 -16.633 -15.007 7.460 1.00 0.00 C ATOM 933 O GLY A 55 -15.798 -15.265 6.610 1.00 0.00 O ATOM 0 H GLY A 55 -14.899 -15.355 10.094 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -16.139 -16.641 8.773 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -17.529 -15.706 9.289 1.00 0.00 H new ATOM 937 N VAL A 56 -17.622 -14.141 7.268 1.00 0.00 N ATOM 938 CA VAL A 56 -18.090 -13.605 5.997 1.00 0.00 C ATOM 939 C VAL A 56 -18.471 -14.704 4.990 1.00 0.00 C ATOM 940 O VAL A 56 -17.795 -15.710 4.811 1.00 0.00 O ATOM 941 CB VAL A 56 -17.116 -12.542 5.450 1.00 0.00 C ATOM 942 CG1 VAL A 56 -17.267 -12.284 3.948 1.00 0.00 C ATOM 943 CG2 VAL A 56 -17.365 -11.219 6.179 1.00 0.00 C ATOM 0 H VAL A 56 -18.155 -13.769 8.054 1.00 0.00 H new ATOM 0 HA VAL A 56 -19.029 -13.082 6.179 1.00 0.00 H new ATOM 0 HB VAL A 56 -16.111 -12.928 5.619 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -16.550 -11.525 3.635 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -17.081 -13.207 3.400 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -18.278 -11.936 3.739 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -16.681 -10.460 5.799 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -18.393 -10.898 6.010 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -17.199 -11.355 7.248 1.00 0.00 H new ATOM 953 N SER A 57 -19.596 -14.500 4.307 1.00 0.00 N ATOM 954 CA SER A 57 -19.987 -15.348 3.193 1.00 0.00 C ATOM 955 C SER A 57 -18.901 -15.219 2.117 1.00 0.00 C ATOM 956 O SER A 57 -18.578 -14.082 1.776 1.00 0.00 O ATOM 957 CB SER A 57 -21.339 -14.867 2.659 1.00 0.00 C ATOM 958 OG SER A 57 -22.330 -15.849 2.890 1.00 0.00 O ATOM 0 H SER A 57 -20.254 -13.748 4.511 1.00 0.00 H new ATOM 0 HA SER A 57 -20.087 -16.391 3.494 1.00 0.00 H new ATOM 0 HB2 SER A 57 -21.620 -13.934 3.147 1.00 0.00 H new ATOM 0 HB3 SER A 57 -21.264 -14.659 1.592 1.00 0.00 H new ATOM 0 HG SER A 57 -23.191 -15.532 2.547 1.00 0.00 H new ATOM 964 N PRO A 58 -18.361 -16.309 1.551 1.00 0.00 N ATOM 965 CA PRO A 58 -17.263 -16.236 0.595 1.00 0.00 C ATOM 966 C PRO A 58 -17.628 -15.404 -0.635 1.00 0.00 C ATOM 967 O PRO A 58 -16.837 -14.603 -1.123 1.00 0.00 O ATOM 968 CB PRO A 58 -16.909 -17.686 0.252 1.00 0.00 C ATOM 969 CG PRO A 58 -18.169 -18.475 0.613 1.00 0.00 C ATOM 970 CD PRO A 58 -18.750 -17.688 1.788 1.00 0.00 C ATOM 0 HA PRO A 58 -16.400 -15.722 1.018 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -16.659 -17.796 -0.803 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -16.046 -18.031 0.822 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -18.867 -18.524 -0.223 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -17.934 -19.502 0.893 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -19.834 -17.789 1.832 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -18.357 -18.051 2.738 1.00 0.00 H new ATOM 978 N SER A 59 -18.863 -15.538 -1.110 1.00 0.00 N ATOM 979 CA SER A 59 -19.404 -14.713 -2.179 1.00 0.00 C ATOM 980 C SER A 59 -19.278 -13.216 -1.858 1.00 0.00 C ATOM 981 O SER A 59 -19.170 -12.389 -2.759 1.00 0.00 O ATOM 982 CB SER A 59 -20.866 -15.124 -2.380 1.00 0.00 C ATOM 983 OG SER A 59 -21.449 -15.473 -1.129 1.00 0.00 O ATOM 0 H SER A 59 -19.522 -16.232 -0.757 1.00 0.00 H new ATOM 0 HA SER A 59 -18.838 -14.870 -3.097 1.00 0.00 H new ATOM 0 HB2 SER A 59 -21.424 -14.305 -2.835 1.00 0.00 H new ATOM 0 HB3 SER A 59 -20.924 -15.969 -3.066 1.00 0.00 H new ATOM 0 HG SER A 59 -22.384 -15.733 -1.265 1.00 0.00 H new ATOM 989 N GLN A 60 -19.303 -12.863 -0.572 1.00 0.00 N ATOM 990 CA GLN A 60 -19.182 -11.507 -0.068 1.00 0.00 C ATOM 991 C GLN A 60 -17.794 -11.263 0.539 1.00 0.00 C ATOM 992 O GLN A 60 -17.616 -10.340 1.338 1.00 0.00 O ATOM 993 CB GLN A 60 -20.331 -11.279 0.928 1.00 0.00 C ATOM 994 CG GLN A 60 -20.717 -9.808 1.110 1.00 0.00 C ATOM 995 CD GLN A 60 -21.859 -9.692 2.111 1.00 0.00 C ATOM 996 OE1 GLN A 60 -21.637 -9.470 3.297 1.00 0.00 O ATOM 997 NE2 GLN A 60 -23.094 -9.872 1.660 1.00 0.00 N ATOM 0 H GLN A 60 -19.413 -13.550 0.174 1.00 0.00 H new ATOM 0 HA GLN A 60 -19.268 -10.780 -0.876 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -21.206 -11.834 0.590 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -20.046 -11.691 1.896 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -19.856 -9.238 1.459 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -21.016 -9.380 0.153 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -23.254 -10.055 0.669 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -23.884 -9.827 2.304 1.00 0.00 H new ATOM 1006 N ALA A 61 -16.796 -12.034 0.107 1.00 0.00 N ATOM 1007 CA ALA A 61 -15.399 -11.823 0.479 1.00 0.00 C ATOM 1008 C ALA A 61 -14.861 -10.533 -0.141 1.00 0.00 C ATOM 1009 O ALA A 61 -13.869 -9.986 0.323 1.00 0.00 O ATOM 1010 CB ALA A 61 -14.523 -13.019 0.096 1.00 0.00 C ATOM 0 H ALA A 61 -16.937 -12.829 -0.516 1.00 0.00 H new ATOM 0 HA ALA A 61 -15.361 -11.725 1.564 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.492 -12.823 0.389 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -14.882 -13.912 0.608 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -14.571 -13.174 -0.982 1.00 0.00 H new ATOM 1016 N GLN A 62 -15.542 -10.016 -1.167 1.00 0.00 N ATOM 1017 CA GLN A 62 -15.253 -8.715 -1.752 1.00 0.00 C ATOM 1018 C GLN A 62 -15.882 -7.575 -0.927 1.00 0.00 C ATOM 1019 O GLN A 62 -15.785 -6.411 -1.314 1.00 0.00 O ATOM 1020 CB GLN A 62 -15.732 -8.714 -3.220 1.00 0.00 C ATOM 1021 CG GLN A 62 -14.589 -8.477 -4.225 1.00 0.00 C ATOM 1022 CD GLN A 62 -14.027 -7.055 -4.253 1.00 0.00 C ATOM 1023 OE1 GLN A 62 -12.937 -6.803 -4.759 1.00 0.00 O ATOM 1024 NE2 GLN A 62 -14.757 -6.070 -3.755 1.00 0.00 N ATOM 0 H GLN A 62 -16.319 -10.500 -1.617 1.00 0.00 H new ATOM 0 HA GLN A 62 -14.178 -8.535 -1.736 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -16.211 -9.668 -3.441 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -16.489 -7.940 -3.349 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -13.777 -9.166 -3.995 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -14.947 -8.728 -5.223 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -15.664 -6.270 -3.333 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -14.413 -5.111 -3.793 1.00 0.00 H new ATOM 1033 N GLY A 63 -16.580 -7.864 0.173 1.00 0.00 N ATOM 1034 CA GLY A 63 -17.161 -6.817 0.992 1.00 0.00 C ATOM 1035 C GLY A 63 -16.121 -6.326 1.986 1.00 0.00 C ATOM 1036 O GLY A 63 -15.240 -5.555 1.615 1.00 0.00 O ATOM 0 H GLY A 63 -16.752 -8.811 0.510 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -17.499 -5.993 0.364 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -18.036 -7.195 1.520 1.00 0.00 H new ATOM 1040 N LEU A 64 -16.222 -6.798 3.230 1.00 0.00 N ATOM 1041 CA LEU A 64 -15.346 -6.570 4.366 1.00 0.00 C ATOM 1042 C LEU A 64 -15.346 -5.118 4.823 1.00 0.00 C ATOM 1043 O LEU A 64 -15.660 -4.851 5.985 1.00 0.00 O ATOM 1044 CB LEU A 64 -13.938 -7.082 4.089 1.00 0.00 C ATOM 1045 CG LEU A 64 -13.805 -8.608 4.140 1.00 0.00 C ATOM 1046 CD1 LEU A 64 -14.750 -9.322 3.181 1.00 0.00 C ATOM 1047 CD2 LEU A 64 -12.360 -8.953 3.782 1.00 0.00 C ATOM 0 H LEU A 64 -16.998 -7.409 3.485 1.00 0.00 H new ATOM 0 HA LEU A 64 -15.748 -7.148 5.198 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -13.623 -6.733 3.105 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -13.254 -6.644 4.816 1.00 0.00 H new ATOM 0 HG LEU A 64 -14.072 -8.945 5.142 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -14.607 -10.399 3.264 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -15.781 -9.072 3.432 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -14.539 -9.006 2.159 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -12.227 -10.035 3.808 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -12.135 -8.584 2.781 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -11.686 -8.487 4.501 1.00 0.00 H new ATOM 1059 N GLY A 65 -14.968 -4.187 3.953 1.00 0.00 N ATOM 1060 CA GLY A 65 -14.778 -2.783 4.265 1.00 0.00 C ATOM 1061 C GLY A 65 -13.505 -2.577 5.073 1.00 0.00 C ATOM 1062 O GLY A 65 -12.579 -1.930 4.591 1.00 0.00 O ATOM 0 H GLY A 65 -14.779 -4.403 2.974 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -14.726 -2.205 3.343 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -15.635 -2.411 4.827 1.00 0.00 H new ATOM 1066 N SER A 66 -13.472 -3.157 6.277 1.00 0.00 N ATOM 1067 CA SER A 66 -12.439 -3.058 7.292 1.00 0.00 C ATOM 1068 C SER A 66 -11.063 -2.939 6.654 1.00 0.00 C ATOM 1069 O SER A 66 -10.351 -1.957 6.875 1.00 0.00 O ATOM 1070 CB SER A 66 -12.546 -4.306 8.185 1.00 0.00 C ATOM 1071 OG SER A 66 -11.470 -4.430 9.093 1.00 0.00 O ATOM 0 H SER A 66 -14.237 -3.758 6.585 1.00 0.00 H new ATOM 0 HA SER A 66 -12.577 -2.160 7.895 1.00 0.00 H new ATOM 0 HB2 SER A 66 -13.482 -4.268 8.742 1.00 0.00 H new ATOM 0 HB3 SER A 66 -12.586 -5.194 7.555 1.00 0.00 H new ATOM 0 HG SER A 66 -11.591 -5.238 9.635 1.00 0.00 H new ATOM 1077 N ASN A 67 -10.680 -3.952 5.885 1.00 0.00 N ATOM 1078 CA ASN A 67 -9.301 -4.081 5.450 1.00 0.00 C ATOM 1079 C ASN A 67 -9.231 -4.966 4.217 1.00 0.00 C ATOM 1080 O ASN A 67 -8.242 -5.657 4.011 1.00 0.00 O ATOM 1081 CB ASN A 67 -8.486 -4.650 6.624 1.00 0.00 C ATOM 1082 CG ASN A 67 -7.674 -3.560 7.324 1.00 0.00 C ATOM 1083 OD1 ASN A 67 -7.027 -2.720 6.704 1.00 0.00 O ATOM 1084 ND2 ASN A 67 -7.759 -3.491 8.647 1.00 0.00 N ATOM 0 H ASN A 67 -11.302 -4.689 5.554 1.00 0.00 H new ATOM 0 HA ASN A 67 -8.882 -3.115 5.169 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -9.159 -5.121 7.341 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -7.815 -5.427 6.259 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -7.287 -2.740 9.150 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -8.297 -4.189 9.161 1.00 0.00 H new ATOM 1091 N LEU A 68 -10.274 -4.915 3.384 1.00 0.00 N ATOM 1092 CA LEU A 68 -10.378 -5.769 2.212 1.00 0.00 C ATOM 1093 C LEU A 68 -9.072 -5.773 1.438 1.00 0.00 C ATOM 1094 O LEU A 68 -8.615 -4.717 0.979 1.00 0.00 O ATOM 1095 CB LEU A 68 -11.502 -5.282 1.298 1.00 0.00 C ATOM 1096 CG LEU A 68 -11.569 -6.021 -0.050 1.00 0.00 C ATOM 1097 CD1 LEU A 68 -12.009 -7.477 0.099 1.00 0.00 C ATOM 1098 CD2 LEU A 68 -12.503 -5.280 -0.999 1.00 0.00 C ATOM 0 H LEU A 68 -11.064 -4.281 3.508 1.00 0.00 H new ATOM 0 HA LEU A 68 -10.598 -6.782 2.550 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -12.455 -5.400 1.814 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -11.370 -4.216 1.112 1.00 0.00 H new ATOM 0 HG LEU A 68 -10.560 -6.037 -0.463 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -12.039 -7.950 -0.882 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -11.301 -8.008 0.736 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -13.001 -7.513 0.550 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -12.547 -5.807 -1.952 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -13.501 -5.233 -0.564 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -12.130 -4.269 -1.161 1.00 0.00 H new ATOM 1110 N VAL A 69 -8.513 -6.953 1.231 1.00 0.00 N ATOM 1111 CA VAL A 69 -7.449 -7.111 0.263 1.00 0.00 C ATOM 1112 C VAL A 69 -8.035 -6.948 -1.139 1.00 0.00 C ATOM 1113 O VAL A 69 -8.998 -7.607 -1.513 1.00 0.00 O ATOM 1114 CB VAL A 69 -6.698 -8.431 0.444 1.00 0.00 C ATOM 1115 CG1 VAL A 69 -5.577 -8.482 -0.603 1.00 0.00 C ATOM 1116 CG2 VAL A 69 -6.106 -8.485 1.860 1.00 0.00 C ATOM 0 H VAL A 69 -8.778 -7.809 1.718 1.00 0.00 H new ATOM 0 HA VAL A 69 -6.698 -6.337 0.419 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.367 -9.282 0.314 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.023 -9.415 -0.498 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.009 -8.428 -1.602 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.901 -7.640 -0.454 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.569 -9.424 1.994 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.418 -7.651 1.999 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.910 -8.418 2.593 1.00 0.00 H new ATOM 1126 N THR A 70 -7.451 -6.039 -1.907 1.00 0.00 N ATOM 1127 CA THR A 70 -7.795 -5.739 -3.284 1.00 0.00 C ATOM 1128 C THR A 70 -6.527 -5.796 -4.134 1.00 0.00 C ATOM 1129 O THR A 70 -5.419 -5.803 -3.591 1.00 0.00 O ATOM 1130 CB THR A 70 -8.407 -4.334 -3.326 1.00 0.00 C ATOM 1131 OG1 THR A 70 -7.501 -3.399 -2.783 1.00 0.00 O ATOM 1132 CG2 THR A 70 -9.654 -4.266 -2.454 1.00 0.00 C ATOM 0 H THR A 70 -6.683 -5.461 -1.565 1.00 0.00 H new ATOM 0 HA THR A 70 -8.512 -6.460 -3.676 1.00 0.00 H new ATOM 0 HB THR A 70 -8.642 -4.113 -4.367 1.00 0.00 H new ATOM 0 HG1 THR A 70 -7.897 -2.503 -2.814 1.00 0.00 H new ATOM 0 HG21 THR A 70 -10.074 -3.261 -2.497 1.00 0.00 H new ATOM 0 HG22 THR A 70 -10.391 -4.983 -2.816 1.00 0.00 H new ATOM 0 HG23 THR A 70 -9.391 -4.506 -1.424 1.00 0.00 H new ATOM 1140 N GLU A 71 -6.675 -5.771 -5.458 1.00 0.00 N ATOM 1141 CA GLU A 71 -5.548 -5.730 -6.378 1.00 0.00 C ATOM 1142 C GLU A 71 -4.602 -4.589 -6.009 1.00 0.00 C ATOM 1143 O GLU A 71 -3.430 -4.813 -5.726 1.00 0.00 O ATOM 1144 CB GLU A 71 -6.082 -5.647 -7.811 1.00 0.00 C ATOM 1145 CG GLU A 71 -4.949 -5.726 -8.837 1.00 0.00 C ATOM 1146 CD GLU A 71 -4.464 -4.358 -9.255 1.00 0.00 C ATOM 1147 OE1 GLU A 71 -5.197 -3.681 -10.004 1.00 0.00 O ATOM 1148 OE2 GLU A 71 -3.347 -3.981 -8.854 1.00 0.00 O ATOM 0 H GLU A 71 -7.584 -5.779 -5.920 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.954 -6.641 -6.305 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.789 -6.458 -7.985 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.629 -4.714 -7.943 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.118 -6.292 -8.416 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -5.293 -6.272 -9.715 1.00 0.00 H new ATOM 1155 N VAL A 72 -5.130 -3.371 -5.918 1.00 0.00 N ATOM 1156 CA VAL A 72 -4.340 -2.204 -5.556 1.00 0.00 C ATOM 1157 C VAL A 72 -3.622 -2.389 -4.207 1.00 0.00 C ATOM 1158 O VAL A 72 -2.616 -1.730 -3.948 1.00 0.00 O ATOM 1159 CB VAL A 72 -5.239 -0.952 -5.600 1.00 0.00 C ATOM 1160 CG1 VAL A 72 -6.353 -0.993 -4.544 1.00 0.00 C ATOM 1161 CG2 VAL A 72 -4.435 0.344 -5.454 1.00 0.00 C ATOM 0 H VAL A 72 -6.114 -3.169 -6.093 1.00 0.00 H new ATOM 0 HA VAL A 72 -3.539 -2.070 -6.283 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.704 -0.961 -6.586 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -6.957 -0.089 -4.617 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.984 -1.866 -4.714 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -5.910 -1.054 -3.550 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -5.111 1.198 -5.491 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.908 0.340 -4.500 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -3.713 0.418 -6.267 1.00 0.00 H new ATOM 1171 N ARG A 73 -4.116 -3.266 -3.332 1.00 0.00 N ATOM 1172 CA ARG A 73 -3.493 -3.586 -2.056 1.00 0.00 C ATOM 1173 C ARG A 73 -2.225 -4.401 -2.288 1.00 0.00 C ATOM 1174 O ARG A 73 -1.143 -4.048 -1.815 1.00 0.00 O ATOM 1175 CB ARG A 73 -4.495 -4.379 -1.206 1.00 0.00 C ATOM 1176 CG ARG A 73 -4.474 -3.993 0.264 1.00 0.00 C ATOM 1177 CD ARG A 73 -5.222 -2.672 0.450 1.00 0.00 C ATOM 1178 NE ARG A 73 -6.684 -2.829 0.392 1.00 0.00 N ATOM 1179 CZ ARG A 73 -7.560 -1.929 -0.086 1.00 0.00 C ATOM 1180 NH1 ARG A 73 -7.134 -0.813 -0.681 1.00 0.00 N ATOM 1181 NH2 ARG A 73 -8.861 -2.203 0.000 1.00 0.00 N ATOM 0 H ARG A 73 -4.980 -3.783 -3.499 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.218 -2.670 -1.533 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -5.499 -4.224 -1.601 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -4.277 -5.443 -1.298 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -4.939 -4.775 0.864 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.446 -3.894 0.611 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -4.946 -2.236 1.410 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -4.906 -1.970 -0.321 1.00 0.00 H new ATOM 0 HE ARG A 73 -7.069 -3.704 0.748 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -6.134 -0.636 -0.777 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -7.808 -0.137 -1.040 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -9.171 -3.079 0.421 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -9.547 -1.537 -0.355 1.00 0.00 H new ATOM 1195 N VAL A 74 -2.375 -5.499 -3.025 1.00 0.00 N ATOM 1196 CA VAL A 74 -1.274 -6.356 -3.426 1.00 0.00 C ATOM 1197 C VAL A 74 -0.236 -5.489 -4.154 1.00 0.00 C ATOM 1198 O VAL A 74 0.959 -5.542 -3.871 1.00 0.00 O ATOM 1199 CB VAL A 74 -1.825 -7.457 -4.345 1.00 0.00 C ATOM 1200 CG1 VAL A 74 -0.674 -8.255 -4.957 1.00 0.00 C ATOM 1201 CG2 VAL A 74 -2.767 -8.379 -3.564 1.00 0.00 C ATOM 0 H VAL A 74 -3.282 -5.819 -3.363 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.798 -6.829 -2.567 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.392 -6.993 -5.152 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.075 -9.033 -5.607 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.038 -7.588 -5.539 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.086 -8.714 -4.162 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.150 -9.154 -4.228 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.223 -8.842 -2.741 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.599 -7.797 -3.167 1.00 0.00 H new ATOM 1211 N TYR A 75 -0.693 -4.655 -5.086 1.00 0.00 N ATOM 1212 CA TYR A 75 0.158 -3.709 -5.780 1.00 0.00 C ATOM 1213 C TYR A 75 0.901 -2.851 -4.756 1.00 0.00 C ATOM 1214 O TYR A 75 2.125 -2.747 -4.791 1.00 0.00 O ATOM 1215 CB TYR A 75 -0.681 -2.838 -6.723 1.00 0.00 C ATOM 1216 CG TYR A 75 0.155 -2.114 -7.757 1.00 0.00 C ATOM 1217 CD1 TYR A 75 0.853 -0.951 -7.389 1.00 0.00 C ATOM 1218 CD2 TYR A 75 0.270 -2.614 -9.068 1.00 0.00 C ATOM 1219 CE1 TYR A 75 1.619 -0.259 -8.339 1.00 0.00 C ATOM 1220 CE2 TYR A 75 1.040 -1.921 -10.018 1.00 0.00 C ATOM 1221 CZ TYR A 75 1.679 -0.723 -9.662 1.00 0.00 C ATOM 1222 OH TYR A 75 2.281 0.044 -10.610 1.00 0.00 O ATOM 0 H TYR A 75 -1.670 -4.622 -5.378 1.00 0.00 H new ATOM 0 HA TYR A 75 0.890 -4.247 -6.383 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -1.415 -3.464 -7.230 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -1.237 -2.107 -6.136 1.00 0.00 H new ATOM 0 HD1 TYR A 75 0.800 -0.589 -6.373 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -0.233 -3.529 -9.344 1.00 0.00 H new ATOM 0 HE1 TYR A 75 2.162 0.630 -8.053 1.00 0.00 H new ATOM 0 HE2 TYR A 75 1.140 -2.310 -11.021 1.00 0.00 H new ATOM 0 HH TYR A 75 2.242 -0.415 -11.475 1.00 0.00 H new ATOM 1232 N ASN A 76 0.154 -2.229 -3.841 1.00 0.00 N ATOM 1233 CA ASN A 76 0.696 -1.298 -2.862 1.00 0.00 C ATOM 1234 C ASN A 76 1.845 -1.928 -2.096 1.00 0.00 C ATOM 1235 O ASN A 76 2.919 -1.326 -2.008 1.00 0.00 O ATOM 1236 CB ASN A 76 -0.371 -0.812 -1.867 1.00 0.00 C ATOM 1237 CG ASN A 76 -0.809 0.615 -2.154 1.00 0.00 C ATOM 1238 OD1 ASN A 76 -0.152 1.565 -1.732 1.00 0.00 O ATOM 1239 ND2 ASN A 76 -1.918 0.796 -2.857 1.00 0.00 N ATOM 0 H ASN A 76 -0.854 -2.362 -3.762 1.00 0.00 H new ATOM 0 HA ASN A 76 1.057 -0.435 -3.422 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -1.237 -1.473 -1.912 1.00 0.00 H new ATOM 0 HB3 ASN A 76 0.024 -0.873 -0.853 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -2.245 1.741 -3.060 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -2.444 -0.009 -3.195 1.00 0.00 H new ATOM 1246 N TRP A 77 1.618 -3.094 -1.490 1.00 0.00 N ATOM 1247 CA TRP A 77 2.673 -3.687 -0.691 1.00 0.00 C ATOM 1248 C TRP A 77 3.791 -4.184 -1.606 1.00 0.00 C ATOM 1249 O TRP A 77 4.938 -3.872 -1.336 1.00 0.00 O ATOM 1250 CB TRP A 77 2.171 -4.719 0.328 1.00 0.00 C ATOM 1251 CG TRP A 77 2.426 -6.153 -0.010 1.00 0.00 C ATOM 1252 CD1 TRP A 77 1.915 -6.802 -1.074 1.00 0.00 C ATOM 1253 CD2 TRP A 77 3.308 -7.113 0.645 1.00 0.00 C ATOM 1254 NE1 TRP A 77 2.533 -8.017 -1.224 1.00 0.00 N ATOM 1255 CE2 TRP A 77 3.387 -8.273 -0.177 1.00 0.00 C ATOM 1256 CE3 TRP A 77 4.017 -7.146 1.866 1.00 0.00 C ATOM 1257 CZ2 TRP A 77 4.139 -9.392 0.175 1.00 0.00 C ATOM 1258 CZ3 TRP A 77 4.740 -8.292 2.252 1.00 0.00 C ATOM 1259 CH2 TRP A 77 4.837 -9.394 1.386 1.00 0.00 C ATOM 0 H TRP A 77 0.748 -3.624 -1.537 1.00 0.00 H new ATOM 0 HA TRP A 77 3.098 -2.913 -0.052 1.00 0.00 H new ATOM 0 HB2 TRP A 77 2.636 -4.505 1.291 1.00 0.00 H new ATOM 0 HB3 TRP A 77 1.097 -4.582 0.455 1.00 0.00 H new ATOM 0 HD1 TRP A 77 1.133 -6.421 -1.715 1.00 0.00 H new ATOM 0 HE1 TRP A 77 2.379 -8.649 -2.010 1.00 0.00 H new ATOM 0 HE3 TRP A 77 4.005 -6.281 2.513 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 4.182 -10.249 -0.481 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 5.222 -8.323 3.218 1.00 0.00 H new ATOM 0 HH2 TRP A 77 5.450 -10.241 1.656 1.00 0.00 H new ATOM 1270 N PHE A 78 3.525 -4.898 -2.703 1.00 0.00 N ATOM 1271 CA PHE A 78 4.629 -5.384 -3.526 1.00 0.00 C ATOM 1272 C PHE A 78 5.485 -4.214 -4.020 1.00 0.00 C ATOM 1273 O PHE A 78 6.704 -4.344 -4.124 1.00 0.00 O ATOM 1274 CB PHE A 78 4.153 -6.280 -4.685 1.00 0.00 C ATOM 1275 CG PHE A 78 3.791 -7.729 -4.363 1.00 0.00 C ATOM 1276 CD1 PHE A 78 4.566 -8.490 -3.464 1.00 0.00 C ATOM 1277 CD2 PHE A 78 2.839 -8.394 -5.163 1.00 0.00 C ATOM 1278 CE1 PHE A 78 4.335 -9.867 -3.322 1.00 0.00 C ATOM 1279 CE2 PHE A 78 2.705 -9.797 -5.102 1.00 0.00 C ATOM 1280 CZ PHE A 78 3.460 -10.541 -4.180 1.00 0.00 C ATOM 0 H PHE A 78 2.591 -5.144 -3.031 1.00 0.00 H new ATOM 0 HA PHE A 78 5.252 -6.018 -2.896 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.279 -5.809 -5.136 1.00 0.00 H new ATOM 0 HB3 PHE A 78 4.936 -6.291 -5.443 1.00 0.00 H new ATOM 0 HD1 PHE A 78 5.340 -8.012 -2.883 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.207 -7.824 -5.828 1.00 0.00 H new ATOM 0 HE1 PHE A 78 4.840 -10.414 -2.539 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.019 -10.301 -5.767 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.366 -11.616 -4.134 1.00 0.00 H new ATOM 1290 N ALA A 79 4.874 -3.061 -4.286 1.00 0.00 N ATOM 1291 CA ALA A 79 5.603 -1.851 -4.612 1.00 0.00 C ATOM 1292 C ALA A 79 6.493 -1.402 -3.448 1.00 0.00 C ATOM 1293 O ALA A 79 7.670 -1.115 -3.658 1.00 0.00 O ATOM 1294 CB ALA A 79 4.627 -0.745 -5.020 1.00 0.00 C ATOM 0 H ALA A 79 3.861 -2.946 -4.280 1.00 0.00 H new ATOM 0 HA ALA A 79 6.260 -2.064 -5.455 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.184 0.160 -5.263 1.00 0.00 H new ATOM 0 HB2 ALA A 79 4.057 -1.066 -5.892 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.944 -0.540 -4.196 1.00 0.00 H new ATOM 1300 N ASN A 80 5.941 -1.277 -2.238 1.00 0.00 N ATOM 1301 CA ASN A 80 6.625 -0.627 -1.115 1.00 0.00 C ATOM 1302 C ASN A 80 7.468 -1.584 -0.273 1.00 0.00 C ATOM 1303 O ASN A 80 8.582 -1.233 0.118 1.00 0.00 O ATOM 1304 CB ASN A 80 5.601 0.084 -0.219 1.00 0.00 C ATOM 1305 CG ASN A 80 6.208 0.452 1.134 1.00 0.00 C ATOM 1306 OD1 ASN A 80 6.817 1.510 1.289 1.00 0.00 O ATOM 1307 ND2 ASN A 80 6.061 -0.429 2.115 1.00 0.00 N ATOM 0 H ASN A 80 5.009 -1.623 -2.009 1.00 0.00 H new ATOM 0 HA ASN A 80 7.316 0.093 -1.553 1.00 0.00 H new ATOM 0 HB2 ASN A 80 5.243 0.985 -0.717 1.00 0.00 H new ATOM 0 HB3 ASN A 80 4.736 -0.562 -0.068 1.00 0.00 H new ATOM 0 HD21 ASN A 80 6.459 -0.239 3.035 1.00 0.00 H new ATOM 0 HD22 ASN A 80 5.550 -1.296 1.950 1.00 0.00 H new ATOM 1314 N ARG A 81 6.935 -2.768 0.025 1.00 0.00 N ATOM 1315 CA ARG A 81 7.623 -3.875 0.678 1.00 0.00 C ATOM 1316 C ARG A 81 9.035 -3.976 0.128 1.00 0.00 C ATOM 1317 O ARG A 81 9.981 -4.123 0.878 1.00 0.00 O ATOM 1318 CB ARG A 81 6.873 -5.202 0.467 1.00 0.00 C ATOM 1319 CG ARG A 81 7.481 -6.382 1.248 1.00 0.00 C ATOM 1320 CD ARG A 81 7.416 -6.122 2.757 1.00 0.00 C ATOM 1321 NE ARG A 81 7.649 -7.321 3.576 1.00 0.00 N ATOM 1322 CZ ARG A 81 7.528 -7.326 4.914 1.00 0.00 C ATOM 1323 NH1 ARG A 81 7.232 -6.197 5.562 1.00 0.00 N ATOM 1324 NH2 ARG A 81 7.685 -8.469 5.573 1.00 0.00 N ATOM 0 H ARG A 81 5.964 -2.990 -0.194 1.00 0.00 H new ATOM 0 HA ARG A 81 7.656 -3.683 1.750 1.00 0.00 H new ATOM 0 HB2 ARG A 81 5.833 -5.074 0.768 1.00 0.00 H new ATOM 0 HB3 ARG A 81 6.870 -5.443 -0.596 1.00 0.00 H new ATOM 0 HG2 ARG A 81 6.943 -7.299 1.008 1.00 0.00 H new ATOM 0 HG3 ARG A 81 8.517 -6.531 0.944 1.00 0.00 H new ATOM 0 HD2 ARG A 81 8.156 -5.365 3.018 1.00 0.00 H new ATOM 0 HD3 ARG A 81 6.438 -5.709 3.003 1.00 0.00 H new ATOM 0 HE ARG A 81 7.914 -8.187 3.107 1.00 0.00 H new ATOM 0 HH11 ARG A 81 7.098 -5.330 5.041 1.00 0.00 H new ATOM 0 HH12 ARG A 81 7.140 -6.201 6.578 1.00 0.00 H new ATOM 0 HH21 ARG A 81 7.894 -9.327 5.063 1.00 0.00 H new ATOM 0 HH22 ARG A 81 7.596 -8.488 6.589 1.00 0.00 H new ATOM 1338 N ARG A 82 9.181 -3.828 -1.183 1.00 0.00 N ATOM 1339 CA ARG A 82 10.450 -3.793 -1.885 1.00 0.00 C ATOM 1340 C ARG A 82 11.511 -2.887 -1.220 1.00 0.00 C ATOM 1341 O ARG A 82 12.693 -3.224 -1.166 1.00 0.00 O ATOM 1342 CB ARG A 82 10.110 -3.329 -3.304 1.00 0.00 C ATOM 1343 CG ARG A 82 11.253 -3.452 -4.301 1.00 0.00 C ATOM 1344 CD ARG A 82 11.737 -4.904 -4.476 1.00 0.00 C ATOM 1345 NE ARG A 82 10.644 -5.775 -4.945 1.00 0.00 N ATOM 1346 CZ ARG A 82 10.530 -7.110 -4.833 1.00 0.00 C ATOM 1347 NH1 ARG A 82 11.331 -7.813 -4.032 1.00 0.00 N ATOM 1348 NH2 ARG A 82 9.588 -7.709 -5.570 1.00 0.00 N ATOM 0 H ARG A 82 8.382 -3.725 -1.809 1.00 0.00 H new ATOM 0 HA ARG A 82 10.917 -4.778 -1.871 1.00 0.00 H new ATOM 0 HB2 ARG A 82 9.263 -3.910 -3.669 1.00 0.00 H new ATOM 0 HB3 ARG A 82 9.790 -2.288 -3.265 1.00 0.00 H new ATOM 0 HG2 ARG A 82 10.931 -3.062 -5.267 1.00 0.00 H new ATOM 0 HG3 ARG A 82 12.087 -2.833 -3.970 1.00 0.00 H new ATOM 0 HD2 ARG A 82 12.561 -4.933 -5.190 1.00 0.00 H new ATOM 0 HD3 ARG A 82 12.123 -5.279 -3.528 1.00 0.00 H new ATOM 0 HE ARG A 82 9.873 -5.303 -5.417 1.00 0.00 H new ATOM 0 HH11 ARG A 82 12.051 -7.339 -3.487 1.00 0.00 H new ATOM 0 HH12 ARG A 82 11.224 -8.825 -3.965 1.00 0.00 H new ATOM 0 HH21 ARG A 82 8.992 -7.155 -6.185 1.00 0.00 H new ATOM 0 HH22 ARG A 82 9.465 -8.720 -5.517 1.00 0.00 H new