USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 408 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 18 GLN :FLIP amide:sc= 0 F(o=-0.88,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0.503 USER MOD Single : A 28 THR OG1 : rot 99:sc= 1.13 USER MOD Single : A 29 ASN : amide:sc= -2.22! C(o=-2.2!,f=-7.8!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.121 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -163:sc= -0.0165 (180deg=-0.332) USER MOD Single : A 41 SER OG : rot 130:sc= -1.11 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -32:sc= -6.55! USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot -68:sc= -0.39! USER MOD Single : A 50 GLN : amide:sc= -0.633 X(o=-0.63,f=-0.73) USER MOD Single : A 52 THR OG1 : rot -165:sc= -6.11! USER MOD Single : A 56 GLN :FLIP amide:sc= -0.0491 F(o=-1.7!,f=-0.049) USER MOD Single : A 57 ASN : amide:sc= -0.0408 X(o=-0.041,f=0.0095) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 288 N GLN A 18 -10.877 15.030 4.687 1.00 0.00 N ATOM 289 CA GLN A 18 -10.127 15.531 3.542 1.00 0.00 C ATOM 290 C GLN A 18 -11.073 16.283 2.606 1.00 0.00 C ATOM 291 O GLN A 18 -10.782 17.390 2.169 1.00 0.00 O ATOM 292 CB GLN A 18 -9.533 14.290 2.861 1.00 0.00 C ATOM 293 CG GLN A 18 -8.854 13.434 3.932 1.00 0.00 C ATOM 294 CD GLN A 18 -8.345 12.132 3.308 1.00 0.00 C ATOM 295 OE1 GLN A 18 -8.092 12.094 2.026 1.00 0.00 O flip ATOM 296 NE2 GLN A 18 -8.169 11.137 3.984 1.00 0.00 N flip ATOM 0 HA GLN A 18 -9.339 16.228 3.827 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -10.316 13.721 2.360 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -8.813 14.584 2.097 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.025 13.983 4.378 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -9.558 13.213 4.734 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -8.364 11.159 4.985 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -7.826 10.280 3.550 1.00 0.00 H new ATOM 305 N LEU A 19 -12.206 15.697 2.335 1.00 0.00 N ATOM 306 CA LEU A 19 -13.157 16.374 1.443 1.00 0.00 C ATOM 307 C LEU A 19 -13.830 17.516 2.176 1.00 0.00 C ATOM 308 O LEU A 19 -14.215 18.505 1.583 1.00 0.00 O ATOM 309 CB LEU A 19 -14.213 15.369 1.019 1.00 0.00 C ATOM 310 CG LEU A 19 -15.182 16.047 0.068 1.00 0.00 C ATOM 311 CD1 LEU A 19 -14.449 16.426 -1.221 1.00 0.00 C ATOM 312 CD2 LEU A 19 -16.292 15.078 -0.251 1.00 0.00 C ATOM 0 H LEU A 19 -12.503 14.789 2.693 1.00 0.00 H new ATOM 0 HA LEU A 19 -12.630 16.769 0.574 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -13.745 14.513 0.533 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -14.744 14.990 1.892 1.00 0.00 H new ATOM 0 HG LEU A 19 -15.590 16.948 0.525 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -15.144 16.913 -1.905 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -13.632 17.108 -0.988 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -14.049 15.527 -1.690 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -17.000 15.548 -0.934 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -15.874 14.186 -0.718 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -16.806 14.798 0.668 1.00 0.00 H new ATOM 324 N LYS A 20 -13.956 17.365 3.461 1.00 0.00 N ATOM 325 CA LYS A 20 -14.597 18.430 4.246 1.00 0.00 C ATOM 326 C LYS A 20 -13.691 19.626 4.230 1.00 0.00 C ATOM 327 O LYS A 20 -14.133 20.758 4.128 1.00 0.00 O ATOM 328 CB LYS A 20 -14.779 17.938 5.689 1.00 0.00 C ATOM 329 CG LYS A 20 -15.091 19.119 6.601 1.00 0.00 C ATOM 330 CD LYS A 20 -15.308 18.595 8.020 1.00 0.00 C ATOM 331 CE LYS A 20 -16.365 19.454 8.717 1.00 0.00 C ATOM 332 NZ LYS A 20 -16.688 18.900 10.064 1.00 0.00 N ATOM 0 H LYS A 20 -13.643 16.553 3.992 1.00 0.00 H new ATOM 0 HA LYS A 20 -15.569 18.692 3.829 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -15.587 17.208 5.735 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -13.874 17.434 6.028 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -14.271 19.837 6.584 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -15.981 19.643 6.251 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -15.630 17.554 7.991 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -14.372 18.624 8.578 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -16.002 20.477 8.816 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -17.268 19.494 8.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -17.407 19.496 10.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -17.055 17.932 9.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -15.828 18.885 10.649 1.00 0.00 H new ATOM 346 N GLU A 21 -12.418 19.358 4.326 1.00 0.00 N ATOM 347 CA GLU A 21 -11.467 20.458 4.314 1.00 0.00 C ATOM 348 C GLU A 21 -11.542 21.137 2.966 1.00 0.00 C ATOM 349 O GLU A 21 -11.174 22.286 2.819 1.00 0.00 O ATOM 350 CB GLU A 21 -10.050 19.896 4.521 1.00 0.00 C ATOM 351 CG GLU A 21 -9.089 21.049 4.820 1.00 0.00 C ATOM 352 CD GLU A 21 -7.908 20.526 5.641 1.00 0.00 C ATOM 353 OE1 GLU A 21 -7.029 19.952 5.020 1.00 0.00 O ATOM 354 OE2 GLU A 21 -7.951 20.731 6.843 1.00 0.00 O ATOM 0 H GLU A 21 -12.015 18.425 4.411 1.00 0.00 H new ATOM 0 HA GLU A 21 -11.697 21.170 5.107 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.046 19.181 5.344 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.726 19.358 3.630 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.732 21.490 3.889 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.607 21.836 5.368 1.00 0.00 H new ATOM 361 N LEU A 22 -12.028 20.400 1.987 1.00 0.00 N ATOM 362 CA LEU A 22 -12.139 20.985 0.634 1.00 0.00 C ATOM 363 C LEU A 22 -13.224 22.052 0.583 1.00 0.00 C ATOM 364 O LEU A 22 -12.971 23.175 0.210 1.00 0.00 O ATOM 365 CB LEU A 22 -12.515 19.865 -0.355 1.00 0.00 C ATOM 366 CG LEU A 22 -11.590 19.908 -1.573 1.00 0.00 C ATOM 367 CD1 LEU A 22 -11.406 21.353 -2.047 1.00 0.00 C ATOM 368 CD2 LEU A 22 -10.241 19.327 -1.178 1.00 0.00 C ATOM 0 H LEU A 22 -12.344 19.435 2.078 1.00 0.00 H new ATOM 0 HA LEU A 22 -11.184 21.442 0.374 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -12.438 18.895 0.136 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -13.552 19.981 -0.671 1.00 0.00 H new ATOM 0 HG LEU A 22 -12.028 19.328 -2.385 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.746 21.370 -2.914 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -12.374 21.773 -2.320 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.967 21.946 -1.245 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -9.569 19.350 -2.036 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -9.814 19.917 -0.367 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -10.371 18.297 -0.847 1.00 0.00 H new ATOM 380 N GLU A 23 -14.415 21.678 0.972 1.00 0.00 N ATOM 381 CA GLU A 23 -15.531 22.658 0.950 1.00 0.00 C ATOM 382 C GLU A 23 -15.262 23.801 1.901 1.00 0.00 C ATOM 383 O GLU A 23 -15.892 24.837 1.829 1.00 0.00 O ATOM 384 CB GLU A 23 -16.812 21.939 1.396 1.00 0.00 C ATOM 385 CG GLU A 23 -17.060 20.738 0.481 1.00 0.00 C ATOM 386 CD GLU A 23 -17.938 19.720 1.212 1.00 0.00 C ATOM 387 OE1 GLU A 23 -18.460 20.101 2.247 1.00 0.00 O ATOM 388 OE2 GLU A 23 -18.036 18.620 0.694 1.00 0.00 O ATOM 0 H GLU A 23 -14.658 20.744 1.301 1.00 0.00 H new ATOM 0 HA GLU A 23 -15.633 23.059 -0.058 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -16.717 21.609 2.431 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -17.660 22.623 1.356 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -17.547 21.061 -0.439 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -16.112 20.281 0.197 1.00 0.00 H new ATOM 395 N ARG A 24 -14.331 23.598 2.776 1.00 0.00 N ATOM 396 CA ARG A 24 -14.005 24.660 3.743 1.00 0.00 C ATOM 397 C ARG A 24 -13.070 25.681 3.122 1.00 0.00 C ATOM 398 O ARG A 24 -13.311 26.873 3.187 1.00 0.00 O ATOM 399 CB ARG A 24 -13.304 24.004 4.942 1.00 0.00 C ATOM 400 CG ARG A 24 -14.331 23.692 6.044 1.00 0.00 C ATOM 401 CD ARG A 24 -15.659 23.239 5.419 1.00 0.00 C ATOM 402 NE ARG A 24 -16.584 24.405 5.343 1.00 0.00 N ATOM 403 CZ ARG A 24 -17.779 24.243 4.843 1.00 0.00 C ATOM 404 NH1 ARG A 24 -18.390 23.104 5.022 1.00 0.00 N ATOM 405 NH2 ARG A 24 -18.322 25.227 4.178 1.00 0.00 N ATOM 0 H ARG A 24 -13.783 22.742 2.862 1.00 0.00 H new ATOM 0 HA ARG A 24 -14.918 25.170 4.049 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -12.807 23.087 4.626 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -12.532 24.668 5.330 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -13.945 22.912 6.701 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -14.494 24.576 6.660 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -15.486 22.830 4.423 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -16.104 22.444 6.017 1.00 0.00 H new ATOM 0 HE ARG A 24 -16.286 25.321 5.679 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -17.934 22.357 5.546 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -19.324 22.960 4.638 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -17.813 26.103 4.057 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -19.255 25.120 3.780 1.00 0.00 H new ATOM 419 N GLU A 25 -12.023 25.201 2.522 1.00 0.00 N ATOM 420 CA GLU A 25 -11.063 26.129 1.892 1.00 0.00 C ATOM 421 C GLU A 25 -11.665 26.752 0.643 1.00 0.00 C ATOM 422 O GLU A 25 -11.164 27.735 0.133 1.00 0.00 O ATOM 423 CB GLU A 25 -9.804 25.343 1.494 1.00 0.00 C ATOM 424 CG GLU A 25 -9.371 24.437 2.659 1.00 0.00 C ATOM 425 CD GLU A 25 -8.114 25.016 3.309 1.00 0.00 C ATOM 426 OE1 GLU A 25 -7.055 24.758 2.763 1.00 0.00 O ATOM 427 OE2 GLU A 25 -8.284 25.682 4.318 1.00 0.00 O ATOM 0 H GLU A 25 -11.794 24.210 2.442 1.00 0.00 H new ATOM 0 HA GLU A 25 -10.817 26.920 2.600 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.004 24.741 0.607 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.999 26.032 1.237 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.173 24.362 3.394 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.175 23.428 2.297 1.00 0.00 H new ATOM 434 N TYR A 26 -12.736 26.171 0.167 1.00 0.00 N ATOM 435 CA TYR A 26 -13.377 26.729 -1.051 1.00 0.00 C ATOM 436 C TYR A 26 -14.399 27.776 -0.664 1.00 0.00 C ATOM 437 O TYR A 26 -14.504 28.811 -1.288 1.00 0.00 O ATOM 438 CB TYR A 26 -14.088 25.593 -1.810 1.00 0.00 C ATOM 439 CG TYR A 26 -13.629 25.592 -3.269 1.00 0.00 C ATOM 440 CD1 TYR A 26 -13.609 26.763 -4.000 1.00 0.00 C ATOM 441 CD2 TYR A 26 -13.228 24.420 -3.876 1.00 0.00 C ATOM 442 CE1 TYR A 26 -13.197 26.761 -5.316 1.00 0.00 C ATOM 443 CE2 TYR A 26 -12.816 24.417 -5.192 1.00 0.00 C ATOM 444 CZ TYR A 26 -12.797 25.587 -5.923 1.00 0.00 C ATOM 445 OH TYR A 26 -12.385 25.583 -7.239 1.00 0.00 O ATOM 0 H TYR A 26 -13.186 25.347 0.565 1.00 0.00 H new ATOM 0 HA TYR A 26 -12.614 27.185 -1.682 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -13.862 24.633 -1.345 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -15.169 25.726 -1.757 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -13.919 27.688 -3.537 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -13.237 23.497 -3.316 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -13.187 27.684 -5.876 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -12.506 23.491 -5.654 1.00 0.00 H new ATOM 0 HH TYR A 26 -12.139 24.672 -7.502 1.00 0.00 H new ATOM 455 N ALA A 27 -15.142 27.485 0.365 1.00 0.00 N ATOM 456 CA ALA A 27 -16.165 28.448 0.814 1.00 0.00 C ATOM 457 C ALA A 27 -15.506 29.616 1.530 1.00 0.00 C ATOM 458 O ALA A 27 -16.123 30.636 1.762 1.00 0.00 O ATOM 459 CB ALA A 27 -17.109 27.734 1.793 1.00 0.00 C ATOM 0 H ALA A 27 -15.081 26.624 0.908 1.00 0.00 H new ATOM 0 HA ALA A 27 -16.715 28.823 -0.049 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -17.873 28.432 2.136 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -17.585 26.892 1.290 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -16.539 27.371 2.648 1.00 0.00 H new ATOM 465 N THR A 28 -14.255 29.446 1.868 1.00 0.00 N ATOM 466 CA THR A 28 -13.540 30.533 2.567 1.00 0.00 C ATOM 467 C THR A 28 -13.240 31.673 1.607 1.00 0.00 C ATOM 468 O THR A 28 -13.289 32.828 1.979 1.00 0.00 O ATOM 469 CB THR A 28 -12.217 29.975 3.104 1.00 0.00 C ATOM 470 OG1 THR A 28 -12.582 29.040 4.100 1.00 0.00 O ATOM 471 CG2 THR A 28 -11.432 31.057 3.861 1.00 0.00 C ATOM 0 H THR A 28 -13.707 28.604 1.688 1.00 0.00 H new ATOM 0 HA THR A 28 -14.161 30.910 3.380 1.00 0.00 H new ATOM 0 HB THR A 28 -11.623 29.579 2.280 1.00 0.00 H new ATOM 0 HG1 THR A 28 -12.553 28.135 3.725 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.498 30.636 4.232 1.00 0.00 H new ATOM 0 HG22 THR A 28 -11.214 31.887 3.188 1.00 0.00 H new ATOM 0 HG23 THR A 28 -12.026 31.417 4.701 1.00 0.00 H new ATOM 479 N ASN A 29 -12.935 31.329 0.385 1.00 0.00 N ATOM 480 CA ASN A 29 -12.631 32.390 -0.608 1.00 0.00 C ATOM 481 C ASN A 29 -12.881 31.906 -2.033 1.00 0.00 C ATOM 482 O ASN A 29 -13.968 32.037 -2.560 1.00 0.00 O ATOM 483 CB ASN A 29 -11.142 32.767 -0.465 1.00 0.00 C ATOM 484 CG ASN A 29 -10.746 33.760 -1.567 1.00 0.00 C ATOM 485 OD1 ASN A 29 -11.514 34.062 -2.459 1.00 0.00 O ATOM 486 ND2 ASN A 29 -9.554 34.289 -1.540 1.00 0.00 N ATOM 0 H ASN A 29 -12.884 30.371 0.038 1.00 0.00 H new ATOM 0 HA ASN A 29 -13.279 33.246 -0.420 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -10.962 33.208 0.516 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -10.523 31.872 -0.531 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -9.273 34.950 -2.264 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -8.903 34.041 -0.795 1.00 0.00 H new ATOM 493 N LYS A 30 -11.864 31.360 -2.624 1.00 0.00 N ATOM 494 CA LYS A 30 -11.988 30.854 -4.010 1.00 0.00 C ATOM 495 C LYS A 30 -10.968 29.770 -4.201 1.00 0.00 C ATOM 496 O LYS A 30 -11.249 28.711 -4.726 1.00 0.00 O ATOM 497 CB LYS A 30 -11.682 32.010 -4.975 1.00 0.00 C ATOM 498 CG LYS A 30 -12.373 31.751 -6.316 1.00 0.00 C ATOM 499 CD LYS A 30 -13.524 32.748 -6.495 1.00 0.00 C ATOM 500 CE LYS A 30 -13.957 32.757 -7.963 1.00 0.00 C ATOM 501 NZ LYS A 30 -13.283 33.865 -8.697 1.00 0.00 N ATOM 0 H LYS A 30 -10.943 31.242 -2.202 1.00 0.00 H new ATOM 0 HA LYS A 30 -12.990 30.467 -4.198 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -12.028 32.953 -4.551 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -10.606 32.102 -5.120 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -11.658 31.853 -7.132 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -12.753 30.730 -6.351 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -14.364 32.471 -5.857 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -13.208 33.746 -6.190 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -13.711 31.802 -8.427 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -15.039 32.874 -8.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -13.587 33.858 -9.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -13.539 34.775 -8.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -12.252 33.736 -8.649 1.00 0.00 H new ATOM 515 N PHE A 31 -9.792 30.069 -3.761 1.00 0.00 N ATOM 516 CA PHE A 31 -8.700 29.116 -3.869 1.00 0.00 C ATOM 517 C PHE A 31 -7.752 29.356 -2.734 1.00 0.00 C ATOM 518 O PHE A 31 -7.770 30.415 -2.135 1.00 0.00 O ATOM 519 CB PHE A 31 -7.971 29.267 -5.207 1.00 0.00 C ATOM 520 CG PHE A 31 -7.630 27.859 -5.680 1.00 0.00 C ATOM 521 CD1 PHE A 31 -6.601 27.157 -5.080 1.00 0.00 C ATOM 522 CD2 PHE A 31 -8.416 27.223 -6.622 1.00 0.00 C ATOM 523 CE1 PHE A 31 -6.370 25.841 -5.407 1.00 0.00 C ATOM 524 CE2 PHE A 31 -8.182 25.906 -6.949 1.00 0.00 C ATOM 525 CZ PHE A 31 -7.160 25.215 -6.337 1.00 0.00 C ATOM 0 H PHE A 31 -9.547 30.957 -3.323 1.00 0.00 H new ATOM 0 HA PHE A 31 -9.097 28.102 -3.822 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -8.600 29.778 -5.935 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -7.068 29.866 -5.090 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -5.974 27.646 -4.349 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -9.218 27.762 -7.104 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -5.566 25.300 -4.931 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -8.800 25.415 -7.686 1.00 0.00 H new ATOM 0 HZ PHE A 31 -6.981 24.180 -6.589 1.00 0.00 H new ATOM 535 N ILE A 32 -6.941 28.388 -2.450 1.00 0.00 N ATOM 536 CA ILE A 32 -5.987 28.542 -1.343 1.00 0.00 C ATOM 537 C ILE A 32 -4.555 28.692 -1.853 1.00 0.00 C ATOM 538 O ILE A 32 -4.199 28.188 -2.899 1.00 0.00 O ATOM 539 CB ILE A 32 -6.131 27.303 -0.448 1.00 0.00 C ATOM 540 CG1 ILE A 32 -7.069 26.288 -1.103 1.00 0.00 C ATOM 541 CG2 ILE A 32 -6.784 27.741 0.871 1.00 0.00 C ATOM 542 CD1 ILE A 32 -6.345 25.622 -2.265 1.00 0.00 C ATOM 0 H ILE A 32 -6.901 27.495 -2.941 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.204 29.450 -0.780 1.00 0.00 H new ATOM 0 HB ILE A 32 -5.149 26.857 -0.290 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -7.381 25.539 -0.375 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -7.973 26.784 -1.457 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.897 26.877 1.525 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -6.155 28.485 1.359 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -7.764 28.172 0.666 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -7.007 24.896 -2.738 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -6.055 26.378 -2.994 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -5.454 25.114 -1.896 1.00 0.00 H new ATOM 554 N THR A 33 -3.769 29.392 -1.087 1.00 0.00 N ATOM 555 CA THR A 33 -2.350 29.619 -1.471 1.00 0.00 C ATOM 556 C THR A 33 -1.569 28.321 -1.518 1.00 0.00 C ATOM 557 O THR A 33 -1.939 27.346 -0.900 1.00 0.00 O ATOM 558 CB THR A 33 -1.711 30.543 -0.427 1.00 0.00 C ATOM 559 OG1 THR A 33 -2.784 31.276 0.132 1.00 0.00 O ATOM 560 CG2 THR A 33 -0.828 31.605 -1.103 1.00 0.00 C ATOM 0 H THR A 33 -4.051 29.820 -0.205 1.00 0.00 H new ATOM 0 HA THR A 33 -2.326 30.064 -2.466 1.00 0.00 H new ATOM 0 HB THR A 33 -1.126 29.953 0.279 1.00 0.00 H new ATOM 0 HG1 THR A 33 -2.440 31.890 0.814 1.00 0.00 H new ATOM 0 HG21 THR A 33 -0.386 32.248 -0.342 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.036 31.114 -1.668 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.436 32.207 -1.779 1.00 0.00 H new ATOM 568 N LYS A 34 -0.487 28.337 -2.250 1.00 0.00 N ATOM 569 CA LYS A 34 0.334 27.114 -2.352 1.00 0.00 C ATOM 570 C LYS A 34 0.608 26.561 -0.975 1.00 0.00 C ATOM 571 O LYS A 34 0.657 25.362 -0.780 1.00 0.00 O ATOM 572 CB LYS A 34 1.657 27.467 -3.039 1.00 0.00 C ATOM 573 CG LYS A 34 1.450 27.418 -4.555 1.00 0.00 C ATOM 574 CD LYS A 34 0.519 28.562 -4.974 1.00 0.00 C ATOM 575 CE LYS A 34 -0.913 28.023 -5.150 1.00 0.00 C ATOM 576 NZ LYS A 34 -1.766 29.034 -5.832 1.00 0.00 N ATOM 0 H LYS A 34 -0.145 29.142 -2.775 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.198 26.360 -2.932 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.988 28.460 -2.735 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.437 26.766 -2.741 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.408 27.506 -5.068 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.020 26.459 -4.845 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.532 29.350 -4.221 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.869 29.006 -5.906 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.893 27.102 -5.732 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.338 27.776 -4.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.729 28.657 -5.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.799 29.903 -5.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.368 29.250 -6.768 1.00 0.00 H new ATOM 590 N ASP A 35 0.785 27.442 -0.036 1.00 0.00 N ATOM 591 CA ASP A 35 1.053 26.981 1.332 1.00 0.00 C ATOM 592 C ASP A 35 -0.219 26.392 1.902 1.00 0.00 C ATOM 593 O ASP A 35 -0.193 25.521 2.755 1.00 0.00 O ATOM 594 CB ASP A 35 1.472 28.190 2.184 1.00 0.00 C ATOM 595 CG ASP A 35 2.961 28.469 1.970 1.00 0.00 C ATOM 596 OD1 ASP A 35 3.258 29.055 0.941 1.00 0.00 O ATOM 597 OD2 ASP A 35 3.715 28.085 2.846 1.00 0.00 O ATOM 0 H ASP A 35 0.754 28.454 -0.163 1.00 0.00 H new ATOM 0 HA ASP A 35 1.844 26.231 1.333 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.883 29.065 1.908 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.275 27.992 3.238 1.00 0.00 H new ATOM 602 N LYS A 36 -1.323 26.867 1.391 1.00 0.00 N ATOM 603 CA LYS A 36 -2.612 26.365 1.867 1.00 0.00 C ATOM 604 C LYS A 36 -3.010 25.150 1.047 1.00 0.00 C ATOM 605 O LYS A 36 -3.765 24.310 1.497 1.00 0.00 O ATOM 606 CB LYS A 36 -3.649 27.488 1.724 1.00 0.00 C ATOM 607 CG LYS A 36 -3.376 28.540 2.818 1.00 0.00 C ATOM 608 CD LYS A 36 -4.474 29.608 2.798 1.00 0.00 C ATOM 609 CE LYS A 36 -4.050 30.785 3.682 1.00 0.00 C ATOM 610 NZ LYS A 36 -3.678 30.309 5.045 1.00 0.00 N ATOM 0 H LYS A 36 -1.372 27.581 0.665 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.550 26.065 2.913 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -3.583 27.942 0.735 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.658 27.088 1.825 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -3.341 28.060 3.796 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.403 29.003 2.655 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.648 29.949 1.777 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.413 29.188 3.158 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.205 31.302 3.228 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.864 31.506 3.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.674 31.113 5.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.369 29.602 5.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -2.731 29.880 5.016 1.00 0.00 H new ATOM 624 N ARG A 37 -2.477 25.070 -0.152 1.00 0.00 N ATOM 625 CA ARG A 37 -2.805 23.917 -1.017 1.00 0.00 C ATOM 626 C ARG A 37 -2.115 22.707 -0.450 1.00 0.00 C ATOM 627 O ARG A 37 -2.672 21.629 -0.379 1.00 0.00 O ATOM 628 CB ARG A 37 -2.235 24.168 -2.427 1.00 0.00 C ATOM 629 CG ARG A 37 -3.069 25.222 -3.140 1.00 0.00 C ATOM 630 CD ARG A 37 -2.508 25.432 -4.550 1.00 0.00 C ATOM 631 NE ARG A 37 -3.012 24.351 -5.443 1.00 0.00 N ATOM 632 CZ ARG A 37 -2.189 23.776 -6.280 1.00 0.00 C ATOM 633 NH1 ARG A 37 -1.741 24.463 -7.295 1.00 0.00 N ATOM 634 NH2 ARG A 37 -1.844 22.535 -6.073 1.00 0.00 N ATOM 0 H ARG A 37 -1.836 25.753 -0.556 1.00 0.00 H new ATOM 0 HA ARG A 37 -3.885 23.775 -1.066 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.198 24.498 -2.357 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.237 23.241 -3.000 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -4.111 24.906 -3.193 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.048 26.159 -2.583 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.810 26.407 -4.933 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.418 25.422 -4.526 1.00 0.00 H new ATOM 0 HE ARG A 37 -3.989 24.063 -5.402 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -2.034 25.431 -7.424 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -1.098 24.032 -7.959 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -2.216 22.030 -5.269 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -1.203 22.070 -6.716 1.00 0.00 H new ATOM 648 N ARG A 38 -0.894 22.925 -0.049 1.00 0.00 N ATOM 649 CA ARG A 38 -0.100 21.838 0.527 1.00 0.00 C ATOM 650 C ARG A 38 -0.621 21.477 1.895 1.00 0.00 C ATOM 651 O ARG A 38 -0.551 20.339 2.305 1.00 0.00 O ATOM 652 CB ARG A 38 1.359 22.305 0.664 1.00 0.00 C ATOM 653 CG ARG A 38 2.167 21.222 1.391 1.00 0.00 C ATOM 654 CD ARG A 38 3.621 21.685 1.539 1.00 0.00 C ATOM 655 NE ARG A 38 3.641 23.022 2.197 1.00 0.00 N ATOM 656 CZ ARG A 38 4.770 23.500 2.645 1.00 0.00 C ATOM 657 NH1 ARG A 38 5.618 22.689 3.217 1.00 0.00 N ATOM 658 NH2 ARG A 38 5.013 24.773 2.504 1.00 0.00 N ATOM 0 H ARG A 38 -0.418 23.826 -0.102 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.166 20.967 -0.124 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.787 22.496 -0.320 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.403 23.243 1.218 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.734 21.027 2.372 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.127 20.286 0.833 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.187 20.966 2.131 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.100 21.740 0.561 1.00 0.00 H new ATOM 0 HE ARG A 38 2.780 23.559 2.296 1.00 0.00 H new ATOM 0 HH11 ARG A 38 5.394 21.698 3.308 1.00 0.00 H new ATOM 0 HH12 ARG A 38 6.505 23.046 3.573 1.00 0.00 H new ATOM 0 HH21 ARG A 38 4.327 25.376 2.050 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.889 25.166 2.847 1.00 0.00 H new ATOM 672 N ARG A 39 -1.148 22.451 2.592 1.00 0.00 N ATOM 673 CA ARG A 39 -1.667 22.143 3.925 1.00 0.00 C ATOM 674 C ARG A 39 -2.693 21.078 3.770 1.00 0.00 C ATOM 675 O ARG A 39 -2.713 20.113 4.502 1.00 0.00 O ATOM 676 CB ARG A 39 -2.309 23.397 4.525 1.00 0.00 C ATOM 677 CG ARG A 39 -1.310 24.057 5.482 1.00 0.00 C ATOM 678 CD ARG A 39 -1.668 25.536 5.650 1.00 0.00 C ATOM 679 NE ARG A 39 -0.999 26.058 6.877 1.00 0.00 N ATOM 680 CZ ARG A 39 -1.651 26.068 8.008 1.00 0.00 C ATOM 681 NH1 ARG A 39 -2.299 24.995 8.372 1.00 0.00 N ATOM 682 NH2 ARG A 39 -1.631 27.149 8.737 1.00 0.00 N ATOM 0 H ARG A 39 -1.233 23.422 2.290 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.867 21.811 4.586 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.589 24.093 3.734 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.224 23.135 5.057 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.330 23.555 6.449 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -0.297 23.959 5.092 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.348 26.103 4.776 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -2.748 25.656 5.730 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.041 26.404 6.833 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -2.290 24.167 7.776 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -2.814 24.984 9.252 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.112 27.968 8.421 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.135 27.176 9.624 1.00 0.00 H new ATOM 696 N ILE A 40 -3.537 21.263 2.797 1.00 0.00 N ATOM 697 CA ILE A 40 -4.571 20.265 2.571 1.00 0.00 C ATOM 698 C ILE A 40 -3.897 18.946 2.267 1.00 0.00 C ATOM 699 O ILE A 40 -3.855 18.073 3.097 1.00 0.00 O ATOM 700 CB ILE A 40 -5.376 20.682 1.355 1.00 0.00 C ATOM 701 CG1 ILE A 40 -6.006 22.053 1.577 1.00 0.00 C ATOM 702 CG2 ILE A 40 -6.489 19.672 1.146 1.00 0.00 C ATOM 703 CD1 ILE A 40 -6.326 22.696 0.218 1.00 0.00 C ATOM 0 H ILE A 40 -3.543 22.061 2.162 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.216 20.174 3.445 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.717 20.726 0.488 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -6.916 21.955 2.168 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -5.326 22.690 2.142 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -7.079 19.956 0.275 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.058 18.684 0.986 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -7.130 19.650 2.027 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.776 23.676 0.376 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.407 22.808 -0.357 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -7.022 22.061 -0.330 1.00 0.00 H new ATOM 715 N SER A 41 -3.331 18.845 1.079 1.00 0.00 N ATOM 716 CA SER A 41 -2.640 17.576 0.702 1.00 0.00 C ATOM 717 C SER A 41 -1.781 17.059 1.846 1.00 0.00 C ATOM 718 O SER A 41 -1.590 15.870 1.989 1.00 0.00 O ATOM 719 CB SER A 41 -1.707 17.856 -0.486 1.00 0.00 C ATOM 720 OG SER A 41 -0.818 18.840 0.001 1.00 0.00 O ATOM 0 H SER A 41 -3.321 19.578 0.370 1.00 0.00 H new ATOM 0 HA SER A 41 -3.400 16.835 0.454 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.175 16.957 -0.796 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.262 18.214 -1.353 1.00 0.00 H new ATOM 0 HG SER A 41 0.105 18.568 -0.185 1.00 0.00 H new ATOM 726 N ALA A 42 -1.265 17.962 2.637 1.00 0.00 N ATOM 727 CA ALA A 42 -0.419 17.527 3.770 1.00 0.00 C ATOM 728 C ALA A 42 -1.281 16.965 4.880 1.00 0.00 C ATOM 729 O ALA A 42 -0.882 16.060 5.586 1.00 0.00 O ATOM 730 CB ALA A 42 0.351 18.746 4.302 1.00 0.00 C ATOM 0 H ALA A 42 -1.394 18.970 2.544 1.00 0.00 H new ATOM 0 HA ALA A 42 0.272 16.755 3.432 1.00 0.00 H new ATOM 0 HB1 ALA A 42 0.980 18.442 5.139 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.976 19.156 3.509 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.356 19.505 4.637 1.00 0.00 H new ATOM 736 N THR A 43 -2.453 17.513 5.016 1.00 0.00 N ATOM 737 CA THR A 43 -3.362 17.028 6.071 1.00 0.00 C ATOM 738 C THR A 43 -4.255 15.953 5.503 1.00 0.00 C ATOM 739 O THR A 43 -4.762 15.107 6.213 1.00 0.00 O ATOM 740 CB THR A 43 -4.225 18.200 6.544 1.00 0.00 C ATOM 741 OG1 THR A 43 -3.585 18.689 7.705 1.00 0.00 O ATOM 742 CG2 THR A 43 -5.592 17.710 7.033 1.00 0.00 C ATOM 0 H THR A 43 -2.815 18.274 4.441 1.00 0.00 H new ATOM 0 HA THR A 43 -2.788 16.622 6.904 1.00 0.00 H new ATOM 0 HB THR A 43 -4.346 18.920 5.735 1.00 0.00 H new ATOM 0 HG1 THR A 43 -4.090 19.449 8.061 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.187 18.561 7.364 1.00 0.00 H new ATOM 0 HG22 THR A 43 -6.108 17.201 6.219 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.455 17.019 7.864 1.00 0.00 H new ATOM 750 N THR A 44 -4.429 16.019 4.217 1.00 0.00 N ATOM 751 CA THR A 44 -5.273 15.039 3.532 1.00 0.00 C ATOM 752 C THR A 44 -4.413 13.955 2.887 1.00 0.00 C ATOM 753 O THR A 44 -4.908 12.930 2.466 1.00 0.00 O ATOM 754 CB THR A 44 -6.038 15.800 2.461 1.00 0.00 C ATOM 755 OG1 THR A 44 -5.067 16.523 1.774 1.00 0.00 O ATOM 756 CG2 THR A 44 -6.921 16.879 3.097 1.00 0.00 C ATOM 0 H THR A 44 -4.011 16.726 3.612 1.00 0.00 H new ATOM 0 HA THR A 44 -5.950 14.550 4.232 1.00 0.00 H new ATOM 0 HB THR A 44 -6.634 15.110 1.864 1.00 0.00 H new ATOM 0 HG1 THR A 44 -4.343 16.765 2.389 1.00 0.00 H new ATOM 0 HG21 THR A 44 -7.461 17.414 2.316 1.00 0.00 H new ATOM 0 HG22 THR A 44 -7.634 16.412 3.777 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.297 17.580 3.651 1.00 0.00 H new ATOM 764 N ASN A 45 -3.133 14.223 2.822 1.00 0.00 N ATOM 765 CA ASN A 45 -2.183 13.246 2.219 1.00 0.00 C ATOM 766 C ASN A 45 -2.327 13.128 0.694 1.00 0.00 C ATOM 767 O ASN A 45 -2.662 12.078 0.185 1.00 0.00 O ATOM 768 CB ASN A 45 -2.430 11.866 2.860 1.00 0.00 C ATOM 769 CG ASN A 45 -1.137 11.049 2.810 1.00 0.00 C ATOM 770 OD1 ASN A 45 -0.259 11.204 3.636 1.00 0.00 O ATOM 771 ND2 ASN A 45 -0.979 10.171 1.857 1.00 0.00 N ATOM 0 H ASN A 45 -2.705 15.083 3.164 1.00 0.00 H new ATOM 0 HA ASN A 45 -1.172 13.605 2.414 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -2.759 11.985 3.892 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.226 11.343 2.330 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -0.122 9.620 1.809 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.712 10.036 1.161 1.00 0.00 H new ATOM 778 N LEU A 46 -2.066 14.217 -0.004 1.00 0.00 N ATOM 779 CA LEU A 46 -2.179 14.185 -1.502 1.00 0.00 C ATOM 780 C LEU A 46 -0.852 14.589 -2.140 1.00 0.00 C ATOM 781 O LEU A 46 0.158 13.944 -1.936 1.00 0.00 O ATOM 782 CB LEU A 46 -3.255 15.184 -1.956 1.00 0.00 C ATOM 783 CG LEU A 46 -4.615 14.770 -1.378 1.00 0.00 C ATOM 784 CD1 LEU A 46 -5.465 16.007 -1.097 1.00 0.00 C ATOM 785 CD2 LEU A 46 -5.360 13.900 -2.387 1.00 0.00 C ATOM 0 H LEU A 46 -1.784 15.113 0.394 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.443 13.173 -1.809 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.997 16.189 -1.622 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.304 15.212 -3.045 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.443 14.218 -0.454 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.428 15.702 -0.687 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.951 16.646 -0.379 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.624 16.558 -2.024 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.325 13.608 -1.973 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.515 14.462 -3.308 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.772 13.007 -2.602 1.00 0.00 H new ATOM 797 N SER A 47 -0.877 15.655 -2.900 1.00 0.00 N ATOM 798 CA SER A 47 0.376 16.116 -3.560 1.00 0.00 C ATOM 799 C SER A 47 0.214 17.529 -4.117 1.00 0.00 C ATOM 800 O SER A 47 0.919 17.916 -5.022 1.00 0.00 O ATOM 801 CB SER A 47 0.696 15.168 -4.730 1.00 0.00 C ATOM 802 OG SER A 47 0.071 13.945 -4.375 1.00 0.00 O ATOM 0 H SER A 47 -1.705 16.220 -3.089 1.00 0.00 H new ATOM 0 HA SER A 47 1.178 16.116 -2.821 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.307 15.554 -5.672 1.00 0.00 H new ATOM 0 HB3 SER A 47 1.771 15.042 -4.857 1.00 0.00 H new ATOM 0 HG SER A 47 0.526 13.559 -3.597 1.00 0.00 H new ATOM 808 N GLU A 48 -0.718 18.266 -3.559 1.00 0.00 N ATOM 809 CA GLU A 48 -0.958 19.653 -4.029 1.00 0.00 C ATOM 810 C GLU A 48 -1.489 19.615 -5.432 1.00 0.00 C ATOM 811 O GLU A 48 -2.616 19.981 -5.682 1.00 0.00 O ATOM 812 CB GLU A 48 0.365 20.440 -3.998 1.00 0.00 C ATOM 813 CG GLU A 48 1.158 20.029 -2.756 1.00 0.00 C ATOM 814 CD GLU A 48 2.223 21.089 -2.459 1.00 0.00 C ATOM 815 OE1 GLU A 48 1.875 22.253 -2.571 1.00 0.00 O ATOM 816 OE2 GLU A 48 3.324 20.674 -2.137 1.00 0.00 O ATOM 0 H GLU A 48 -1.321 17.958 -2.796 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.684 20.141 -3.378 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.945 20.238 -4.899 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.166 21.511 -3.980 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.488 19.921 -1.903 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.629 19.059 -2.916 1.00 0.00 H new ATOM 823 N ARG A 49 -0.672 19.162 -6.325 1.00 0.00 N ATOM 824 CA ARG A 49 -1.113 19.086 -7.724 1.00 0.00 C ATOM 825 C ARG A 49 -2.404 18.311 -7.761 1.00 0.00 C ATOM 826 O ARG A 49 -3.269 18.558 -8.576 1.00 0.00 O ATOM 827 CB ARG A 49 -0.051 18.336 -8.545 1.00 0.00 C ATOM 828 CG ARG A 49 1.118 19.279 -8.834 1.00 0.00 C ATOM 829 CD ARG A 49 2.140 18.557 -9.715 1.00 0.00 C ATOM 830 NE ARG A 49 1.559 18.361 -11.072 1.00 0.00 N ATOM 831 CZ ARG A 49 1.460 19.381 -11.880 1.00 0.00 C ATOM 832 NH1 ARG A 49 2.540 20.041 -12.198 1.00 0.00 N ATOM 833 NH2 ARG A 49 0.284 19.709 -12.342 1.00 0.00 N ATOM 0 H ARG A 49 0.280 18.842 -6.144 1.00 0.00 H new ATOM 0 HA ARG A 49 -1.254 20.085 -8.138 1.00 0.00 H new ATOM 0 HB2 ARG A 49 0.299 17.461 -7.997 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -0.483 17.976 -9.479 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.760 20.179 -9.334 1.00 0.00 H new ATOM 0 HG3 ARG A 49 1.584 19.597 -7.901 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.059 19.139 -9.780 1.00 0.00 H new ATOM 0 HD3 ARG A 49 2.403 17.595 -9.275 1.00 0.00 H new ATOM 0 HE ARG A 49 1.241 17.438 -11.367 1.00 0.00 H new ATOM 0 HH11 ARG A 49 3.442 19.757 -11.816 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.482 20.841 -12.828 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -0.539 19.171 -12.070 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.188 20.503 -12.975 1.00 0.00 H new ATOM 847 N GLN A 50 -2.506 17.370 -6.856 1.00 0.00 N ATOM 848 CA GLN A 50 -3.716 16.553 -6.789 1.00 0.00 C ATOM 849 C GLN A 50 -4.841 17.389 -6.215 1.00 0.00 C ATOM 850 O GLN A 50 -5.986 17.226 -6.585 1.00 0.00 O ATOM 851 CB GLN A 50 -3.448 15.353 -5.866 1.00 0.00 C ATOM 852 CG GLN A 50 -2.811 14.213 -6.675 1.00 0.00 C ATOM 853 CD GLN A 50 -3.735 13.823 -7.832 1.00 0.00 C ATOM 854 OE1 GLN A 50 -3.453 14.088 -8.982 1.00 0.00 O ATOM 855 NE2 GLN A 50 -4.847 13.192 -7.570 1.00 0.00 N ATOM 0 H GLN A 50 -1.790 17.145 -6.165 1.00 0.00 H new ATOM 0 HA GLN A 50 -3.992 16.201 -7.783 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -2.786 15.648 -5.052 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -4.380 15.014 -5.413 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -1.841 14.526 -7.061 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -2.635 13.351 -6.031 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.090 12.966 -6.606 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.473 12.925 -8.330 1.00 0.00 H new ATOM 864 N VAL A 51 -4.500 18.287 -5.305 1.00 0.00 N ATOM 865 CA VAL A 51 -5.562 19.125 -4.728 1.00 0.00 C ATOM 866 C VAL A 51 -6.036 20.037 -5.815 1.00 0.00 C ATOM 867 O VAL A 51 -7.206 20.212 -6.028 1.00 0.00 O ATOM 868 CB VAL A 51 -5.027 19.973 -3.570 1.00 0.00 C ATOM 869 CG1 VAL A 51 -6.169 20.839 -3.050 1.00 0.00 C ATOM 870 CG2 VAL A 51 -4.570 19.069 -2.431 1.00 0.00 C ATOM 0 H VAL A 51 -3.556 18.457 -4.959 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.363 18.495 -4.343 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.191 20.579 -3.918 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.812 21.453 -2.223 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.531 21.483 -3.851 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.981 20.200 -2.703 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.191 19.680 -1.612 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.412 18.472 -2.080 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.780 18.408 -2.786 1.00 0.00 H new ATOM 880 N THR A 52 -5.094 20.601 -6.502 1.00 0.00 N ATOM 881 CA THR A 52 -5.450 21.507 -7.591 1.00 0.00 C ATOM 882 C THR A 52 -6.487 20.822 -8.437 1.00 0.00 C ATOM 883 O THR A 52 -7.452 21.413 -8.878 1.00 0.00 O ATOM 884 CB THR A 52 -4.208 21.714 -8.438 1.00 0.00 C ATOM 885 OG1 THR A 52 -3.138 21.271 -7.640 1.00 0.00 O ATOM 886 CG2 THR A 52 -3.921 23.196 -8.665 1.00 0.00 C ATOM 0 H THR A 52 -4.094 20.468 -6.349 1.00 0.00 H new ATOM 0 HA THR A 52 -5.827 22.457 -7.212 1.00 0.00 H new ATOM 0 HB THR A 52 -4.336 21.206 -9.394 1.00 0.00 H new ATOM 0 HG1 THR A 52 -2.293 21.590 -8.020 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.024 23.304 -9.275 1.00 0.00 H new ATOM 0 HG22 THR A 52 -4.766 23.656 -9.177 1.00 0.00 H new ATOM 0 HG23 THR A 52 -3.767 23.688 -7.705 1.00 0.00 H new ATOM 894 N ILE A 53 -6.249 19.562 -8.642 1.00 0.00 N ATOM 895 CA ILE A 53 -7.164 18.758 -9.441 1.00 0.00 C ATOM 896 C ILE A 53 -8.408 18.489 -8.625 1.00 0.00 C ATOM 897 O ILE A 53 -9.492 18.328 -9.154 1.00 0.00 O ATOM 898 CB ILE A 53 -6.434 17.444 -9.774 1.00 0.00 C ATOM 899 CG1 ILE A 53 -6.142 17.389 -11.260 1.00 0.00 C ATOM 900 CG2 ILE A 53 -7.296 16.218 -9.376 1.00 0.00 C ATOM 901 CD1 ILE A 53 -7.449 17.520 -12.063 1.00 0.00 C ATOM 0 H ILE A 53 -5.440 19.059 -8.277 1.00 0.00 H new ATOM 0 HA ILE A 53 -7.459 19.264 -10.361 1.00 0.00 H new ATOM 0 HB ILE A 53 -5.502 17.414 -9.209 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -5.457 18.191 -11.533 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.648 16.449 -11.507 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -6.760 15.301 -9.621 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -7.496 16.246 -8.305 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -8.239 16.243 -9.922 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -7.227 17.479 -13.129 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -8.121 16.702 -11.801 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -7.926 18.471 -11.828 1.00 0.00 H new ATOM 913 N TRP A 54 -8.222 18.454 -7.340 1.00 0.00 N ATOM 914 CA TRP A 54 -9.351 18.205 -6.454 1.00 0.00 C ATOM 915 C TRP A 54 -10.262 19.402 -6.512 1.00 0.00 C ATOM 916 O TRP A 54 -11.468 19.279 -6.567 1.00 0.00 O ATOM 917 CB TRP A 54 -8.797 18.031 -5.022 1.00 0.00 C ATOM 918 CG TRP A 54 -9.825 17.377 -4.122 1.00 0.00 C ATOM 919 CD1 TRP A 54 -11.035 17.027 -4.512 1.00 0.00 C ATOM 920 CD2 TRP A 54 -9.595 17.013 -2.880 1.00 0.00 C ATOM 921 NE1 TRP A 54 -11.543 16.402 -3.441 1.00 0.00 N ATOM 922 CE2 TRP A 54 -10.695 16.351 -2.363 1.00 0.00 C ATOM 923 CE3 TRP A 54 -8.479 17.230 -2.053 1.00 0.00 C ATOM 924 CZ2 TRP A 54 -10.698 15.906 -1.072 1.00 0.00 C ATOM 925 CZ3 TRP A 54 -8.504 16.783 -0.755 1.00 0.00 C ATOM 926 CH2 TRP A 54 -9.609 16.122 -0.270 1.00 0.00 C ATOM 0 H TRP A 54 -7.324 18.590 -6.875 1.00 0.00 H new ATOM 0 HA TRP A 54 -9.904 17.312 -6.747 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -7.892 17.424 -5.049 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -8.517 19.003 -4.615 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -11.505 17.203 -5.468 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -12.480 15.999 -3.428 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -7.609 17.744 -2.435 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -11.560 15.383 -0.683 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -7.653 16.951 -0.112 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -9.618 15.771 0.751 1.00 0.00 H new ATOM 937 N PHE A 55 -9.668 20.557 -6.529 1.00 0.00 N ATOM 938 CA PHE A 55 -10.506 21.765 -6.589 1.00 0.00 C ATOM 939 C PHE A 55 -11.292 21.815 -7.890 1.00 0.00 C ATOM 940 O PHE A 55 -12.436 22.219 -7.909 1.00 0.00 O ATOM 941 CB PHE A 55 -9.609 22.988 -6.492 1.00 0.00 C ATOM 942 CG PHE A 55 -9.376 23.278 -5.023 1.00 0.00 C ATOM 943 CD1 PHE A 55 -8.865 22.300 -4.196 1.00 0.00 C ATOM 944 CD2 PHE A 55 -9.709 24.500 -4.491 1.00 0.00 C ATOM 945 CE1 PHE A 55 -8.692 22.537 -2.860 1.00 0.00 C ATOM 946 CE2 PHE A 55 -9.536 24.739 -3.149 1.00 0.00 C ATOM 947 CZ PHE A 55 -9.026 23.758 -2.333 1.00 0.00 C ATOM 0 H PHE A 55 -8.660 20.710 -6.504 1.00 0.00 H new ATOM 0 HA PHE A 55 -11.215 21.747 -5.761 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -8.662 22.808 -7.000 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -10.076 23.843 -6.981 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -8.599 21.337 -4.607 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -10.108 25.275 -5.129 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -8.293 21.763 -2.221 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -9.802 25.700 -2.734 1.00 0.00 H new ATOM 0 HZ PHE A 55 -8.889 23.948 -1.279 1.00 0.00 H new ATOM 957 N GLN A 56 -10.666 21.403 -8.956 1.00 0.00 N ATOM 958 CA GLN A 56 -11.366 21.421 -10.258 1.00 0.00 C ATOM 959 C GLN A 56 -12.538 20.454 -10.241 1.00 0.00 C ATOM 960 O GLN A 56 -13.536 20.667 -10.901 1.00 0.00 O ATOM 961 CB GLN A 56 -10.382 20.970 -11.334 1.00 0.00 C ATOM 962 CG GLN A 56 -9.424 22.119 -11.658 1.00 0.00 C ATOM 963 CD GLN A 56 -8.757 21.850 -13.008 1.00 0.00 C ATOM 964 OE1 GLN A 56 -8.958 20.702 -13.596 1.00 0.00 O flip ATOM 965 NE2 GLN A 56 -8.049 22.681 -13.540 1.00 0.00 N flip ATOM 0 H GLN A 56 -9.706 21.058 -8.977 1.00 0.00 H new ATOM 0 HA GLN A 56 -11.736 22.427 -10.457 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -9.822 20.101 -10.989 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -10.921 20.667 -12.232 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -9.967 23.064 -11.689 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -8.669 22.210 -10.877 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -7.888 23.580 -13.086 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -7.615 22.480 -14.441 1.00 0.00 H new ATOM 974 N ASN A 57 -12.398 19.403 -9.477 1.00 0.00 N ATOM 975 CA ASN A 57 -13.487 18.414 -9.401 1.00 0.00 C ATOM 976 C ASN A 57 -14.579 18.974 -8.544 1.00 0.00 C ATOM 977 O ASN A 57 -15.740 18.659 -8.703 1.00 0.00 O ATOM 978 CB ASN A 57 -12.944 17.127 -8.757 1.00 0.00 C ATOM 979 CG ASN A 57 -12.525 16.148 -9.857 1.00 0.00 C ATOM 980 OD1 ASN A 57 -11.357 15.874 -10.047 1.00 0.00 O ATOM 981 ND2 ASN A 57 -13.445 15.601 -10.602 1.00 0.00 N ATOM 0 H ASN A 57 -11.577 19.196 -8.909 1.00 0.00 H new ATOM 0 HA ASN A 57 -13.871 18.193 -10.397 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -12.093 17.358 -8.117 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -13.706 16.675 -8.123 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -13.182 14.947 -11.339 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -14.428 15.827 -10.447 1.00 0.00 H new ATOM 988 N ARG A 58 -14.178 19.799 -7.643 1.00 0.00 N ATOM 989 CA ARG A 58 -15.143 20.417 -6.748 1.00 0.00 C ATOM 990 C ARG A 58 -15.790 21.586 -7.474 1.00 0.00 C ATOM 991 O ARG A 58 -16.831 22.079 -7.086 1.00 0.00 O ATOM 992 CB ARG A 58 -14.375 20.934 -5.525 1.00 0.00 C ATOM 993 CG ARG A 58 -14.961 20.317 -4.246 1.00 0.00 C ATOM 994 CD ARG A 58 -16.389 20.828 -4.035 1.00 0.00 C ATOM 995 NE ARG A 58 -17.186 19.770 -3.355 1.00 0.00 N ATOM 996 CZ ARG A 58 -17.779 18.855 -4.071 1.00 0.00 C ATOM 997 NH1 ARG A 58 -17.089 17.822 -4.473 1.00 0.00 N ATOM 998 NH2 ARG A 58 -19.043 19.003 -4.361 1.00 0.00 N ATOM 0 H ARG A 58 -13.207 20.071 -7.492 1.00 0.00 H new ATOM 0 HA ARG A 58 -15.912 19.708 -6.440 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -13.319 20.679 -5.612 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -14.437 22.021 -5.477 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -14.961 19.230 -4.322 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -14.341 20.577 -3.388 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -16.379 21.737 -3.433 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -16.843 21.084 -4.992 1.00 0.00 H new ATOM 0 HE ARG A 58 -17.268 19.761 -2.338 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -16.103 17.740 -4.226 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -17.536 17.097 -5.034 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -19.550 19.824 -4.029 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -19.524 18.298 -4.920 1.00 0.00 H new ATOM 1012 N ARG A 59 -15.162 21.989 -8.555 1.00 0.00 N ATOM 1013 CA ARG A 59 -15.713 23.121 -9.332 1.00 0.00 C ATOM 1014 C ARG A 59 -16.642 22.581 -10.383 1.00 0.00 C ATOM 1015 O ARG A 59 -17.486 23.279 -10.911 1.00 0.00 O ATOM 1016 CB ARG A 59 -14.549 23.855 -10.018 1.00 0.00 C ATOM 1017 CG ARG A 59 -15.081 25.113 -10.708 1.00 0.00 C ATOM 1018 CD ARG A 59 -13.898 25.940 -11.222 1.00 0.00 C ATOM 1019 NE ARG A 59 -13.500 26.925 -10.172 1.00 0.00 N ATOM 1020 CZ ARG A 59 -12.350 27.535 -10.270 1.00 0.00 C ATOM 1021 NH1 ARG A 59 -12.016 28.072 -11.409 1.00 0.00 N ATOM 1022 NH2 ARG A 59 -11.575 27.591 -9.220 1.00 0.00 N ATOM 0 H ARG A 59 -14.302 21.581 -8.921 1.00 0.00 H new ATOM 0 HA ARG A 59 -16.253 23.804 -8.677 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -13.789 24.123 -9.283 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -14.071 23.201 -10.747 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -15.737 24.840 -11.535 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -15.677 25.702 -10.010 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -13.059 25.287 -11.463 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -14.172 26.459 -12.140 1.00 0.00 H new ATOM 0 HE ARG A 59 -14.121 27.119 -9.386 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -12.649 28.012 -12.206 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -11.121 28.553 -11.503 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -11.872 27.162 -8.343 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -10.673 28.063 -9.277 1.00 0.00 H new ATOM 1036 N VAL A 60 -16.461 21.333 -10.661 1.00 0.00 N ATOM 1037 CA VAL A 60 -17.292 20.671 -11.664 1.00 0.00 C ATOM 1038 C VAL A 60 -18.531 20.061 -11.010 1.00 0.00 C ATOM 1039 O VAL A 60 -19.546 19.866 -11.649 1.00 0.00 O ATOM 1040 CB VAL A 60 -16.420 19.570 -12.299 1.00 0.00 C ATOM 1041 CG1 VAL A 60 -16.807 18.192 -11.748 1.00 0.00 C ATOM 1042 CG2 VAL A 60 -16.619 19.581 -13.816 1.00 0.00 C ATOM 0 H VAL A 60 -15.757 20.738 -10.223 1.00 0.00 H new ATOM 0 HA VAL A 60 -17.639 21.379 -12.417 1.00 0.00 H new ATOM 0 HB VAL A 60 -15.375 19.765 -12.056 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -16.181 17.427 -12.208 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -16.662 18.178 -10.668 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -17.853 17.990 -11.976 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -16.004 18.804 -14.269 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -17.668 19.394 -14.047 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -16.327 20.553 -14.214 1.00 0.00 H new ATOM 1052 N LYS A 61 -18.415 19.769 -9.740 1.00 0.00 N ATOM 1053 CA LYS A 61 -19.562 19.173 -9.017 1.00 0.00 C ATOM 1054 C LYS A 61 -20.436 20.259 -8.392 1.00 0.00 C ATOM 1055 O LYS A 61 -21.621 20.069 -8.205 1.00 0.00 O ATOM 1056 CB LYS A 61 -19.011 18.271 -7.897 1.00 0.00 C ATOM 1057 CG LYS A 61 -19.378 16.817 -8.201 1.00 0.00 C ATOM 1058 CD LYS A 61 -20.890 16.641 -8.058 1.00 0.00 C ATOM 1059 CE LYS A 61 -21.175 15.329 -7.327 1.00 0.00 C ATOM 1060 NZ LYS A 61 -21.031 15.510 -5.855 1.00 0.00 N ATOM 0 H LYS A 61 -17.576 19.919 -9.180 1.00 0.00 H new ATOM 0 HA LYS A 61 -20.169 18.601 -9.719 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -17.929 18.379 -7.825 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -19.426 18.570 -6.934 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -19.063 16.553 -9.210 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -18.855 16.147 -7.518 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -21.315 17.479 -7.506 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -21.362 16.634 -9.040 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -22.183 14.987 -7.560 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -20.489 14.556 -7.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -21.228 14.609 -5.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -20.061 15.815 -5.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -21.703 16.232 -5.527 1.00 0.00 H new ATOM 1074 N GLU A 62 -19.836 21.380 -8.078 1.00 0.00 N ATOM 1075 CA GLU A 62 -20.619 22.478 -7.469 1.00 0.00 C ATOM 1076 C GLU A 62 -21.444 23.187 -8.521 1.00 0.00 C ATOM 1077 O GLU A 62 -22.593 23.513 -8.302 1.00 0.00 O ATOM 1078 CB GLU A 62 -19.639 23.483 -6.860 1.00 0.00 C ATOM 1079 CG GLU A 62 -18.997 24.299 -7.983 1.00 0.00 C ATOM 1080 CD GLU A 62 -17.859 25.147 -7.410 1.00 0.00 C ATOM 1081 OE1 GLU A 62 -17.067 24.570 -6.683 1.00 0.00 O ATOM 1082 OE2 GLU A 62 -17.845 26.322 -7.733 1.00 0.00 O ATOM 0 H GLU A 62 -18.845 21.574 -8.219 1.00 0.00 H new ATOM 0 HA GLU A 62 -21.287 22.068 -6.711 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -20.160 24.143 -6.166 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -18.872 22.961 -6.288 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -18.615 23.634 -8.758 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -19.742 24.941 -8.453 1.00 0.00 H new