USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=12 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= -1.66 F(o=-2.9!,f=-1.7) USER MOD Single : A 20 LYS NZ :NH3+ -141:sc= -0.509 (180deg=-2.02!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 65:sc= 1.24 USER MOD Single : A 29 ASN : amide:sc= -0.635 K(o=-0.63,f=-2) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0177 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.463) USER MOD Single : A 41 SER OG : rot 66:sc= -0.835 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -167:sc= -4.35! USER MOD Single : A 45 ASN : amide:sc= -0.0891 X(o=-0.089,f=-0.0067) USER MOD Single : A 47 SER OG : rot -59:sc= 0.109 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0408 USER MOD Single : A 56 GLN :FLIP amide:sc= 0 F(o=-1!,f=0) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 288 N GLN A 18 -11.186 15.081 4.526 1.00 0.00 N ATOM 289 CA GLN A 18 -10.611 15.446 3.229 1.00 0.00 C ATOM 290 C GLN A 18 -11.631 16.235 2.408 1.00 0.00 C ATOM 291 O GLN A 18 -11.345 17.318 1.926 1.00 0.00 O ATOM 292 CB GLN A 18 -10.273 14.144 2.511 1.00 0.00 C ATOM 293 CG GLN A 18 -8.801 14.168 2.115 1.00 0.00 C ATOM 294 CD GLN A 18 -8.470 12.894 1.335 1.00 0.00 C ATOM 295 OE1 GLN A 18 -9.445 12.216 0.792 1.00 0.00 O flip ATOM 296 NE2 GLN A 18 -7.326 12.504 1.214 1.00 0.00 N flip ATOM 0 HA GLN A 18 -9.725 16.067 3.359 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -10.475 13.292 3.160 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -10.900 14.027 1.627 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.590 15.047 1.506 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -8.174 14.238 3.004 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -6.561 13.030 1.636 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -7.131 11.651 0.690 1.00 0.00 H new ATOM 305 N LEU A 19 -12.811 15.684 2.273 1.00 0.00 N ATOM 306 CA LEU A 19 -13.854 16.394 1.491 1.00 0.00 C ATOM 307 C LEU A 19 -14.348 17.582 2.270 1.00 0.00 C ATOM 308 O LEU A 19 -14.822 18.552 1.712 1.00 0.00 O ATOM 309 CB LEU A 19 -15.043 15.443 1.248 1.00 0.00 C ATOM 310 CG LEU A 19 -15.346 15.388 -0.251 1.00 0.00 C ATOM 311 CD1 LEU A 19 -15.786 16.780 -0.739 1.00 0.00 C ATOM 312 CD2 LEU A 19 -14.079 14.957 -0.989 1.00 0.00 C ATOM 0 H LEU A 19 -13.090 14.785 2.667 1.00 0.00 H new ATOM 0 HA LEU A 19 -13.429 16.721 0.542 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -14.808 14.446 1.620 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -15.919 15.790 1.796 1.00 0.00 H new ATOM 0 HG LEU A 19 -16.148 14.676 -0.445 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -16.002 16.740 -1.807 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -16.681 17.089 -0.199 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -14.987 17.499 -0.557 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -14.279 14.913 -2.060 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -13.284 15.677 -0.798 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -13.770 13.973 -0.637 1.00 0.00 H new ATOM 324 N LYS A 20 -14.226 17.489 3.556 1.00 0.00 N ATOM 325 CA LYS A 20 -14.676 18.587 4.395 1.00 0.00 C ATOM 326 C LYS A 20 -13.749 19.751 4.231 1.00 0.00 C ATOM 327 O LYS A 20 -14.180 20.848 3.989 1.00 0.00 O ATOM 328 CB LYS A 20 -14.653 18.123 5.855 1.00 0.00 C ATOM 329 CG LYS A 20 -14.818 19.322 6.777 1.00 0.00 C ATOM 330 CD LYS A 20 -14.922 18.814 8.214 1.00 0.00 C ATOM 331 CE LYS A 20 -16.398 18.632 8.577 1.00 0.00 C ATOM 332 NZ LYS A 20 -17.164 19.879 8.298 1.00 0.00 N ATOM 0 H LYS A 20 -13.830 16.690 4.052 1.00 0.00 H new ATOM 0 HA LYS A 20 -15.685 18.887 4.111 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -15.453 17.404 6.031 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -13.714 17.613 6.070 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.970 19.999 6.674 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -15.711 19.887 6.509 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -14.390 17.868 8.318 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -14.451 19.521 8.897 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -16.819 17.805 8.006 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -16.489 18.371 9.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -17.864 20.033 9.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -16.510 20.687 8.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -17.653 19.789 7.385 1.00 0.00 H new ATOM 346 N GLU A 21 -12.472 19.487 4.331 1.00 0.00 N ATOM 347 CA GLU A 21 -11.506 20.585 4.180 1.00 0.00 C ATOM 348 C GLU A 21 -11.488 21.095 2.744 1.00 0.00 C ATOM 349 O GLU A 21 -10.971 22.158 2.466 1.00 0.00 O ATOM 350 CB GLU A 21 -10.111 20.062 4.555 1.00 0.00 C ATOM 351 CG GLU A 21 -10.078 19.774 6.058 1.00 0.00 C ATOM 352 CD GLU A 21 -9.917 21.091 6.821 1.00 0.00 C ATOM 353 OE1 GLU A 21 -8.788 21.548 6.876 1.00 0.00 O ATOM 354 OE2 GLU A 21 -10.933 21.565 7.302 1.00 0.00 O ATOM 0 H GLU A 21 -12.071 18.566 4.509 1.00 0.00 H new ATOM 0 HA GLU A 21 -11.794 21.409 4.832 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.884 19.156 3.992 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.350 20.798 4.295 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.996 19.273 6.364 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.254 19.101 6.293 1.00 0.00 H new ATOM 361 N LEU A 22 -12.051 20.325 1.854 1.00 0.00 N ATOM 362 CA LEU A 22 -12.075 20.751 0.434 1.00 0.00 C ATOM 363 C LEU A 22 -13.225 21.736 0.171 1.00 0.00 C ATOM 364 O LEU A 22 -13.078 22.682 -0.584 1.00 0.00 O ATOM 365 CB LEU A 22 -12.300 19.492 -0.441 1.00 0.00 C ATOM 366 CG LEU A 22 -11.157 19.338 -1.461 1.00 0.00 C ATOM 367 CD1 LEU A 22 -10.894 20.683 -2.156 1.00 0.00 C ATOM 368 CD2 LEU A 22 -9.888 18.882 -0.736 1.00 0.00 C ATOM 0 H LEU A 22 -12.492 19.426 2.050 1.00 0.00 H new ATOM 0 HA LEU A 22 -11.133 21.244 0.196 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -12.354 18.606 0.192 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -13.254 19.569 -0.963 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.439 18.597 -2.209 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.084 20.568 -2.877 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -11.797 21.008 -2.673 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.614 21.429 -1.412 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -9.077 18.772 -1.456 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -9.610 19.624 0.013 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -10.072 17.925 -0.248 1.00 0.00 H new ATOM 380 N GLU A 23 -14.332 21.528 0.841 1.00 0.00 N ATOM 381 CA GLU A 23 -15.493 22.438 0.633 1.00 0.00 C ATOM 382 C GLU A 23 -15.438 23.595 1.592 1.00 0.00 C ATOM 383 O GLU A 23 -16.069 24.615 1.390 1.00 0.00 O ATOM 384 CB GLU A 23 -16.787 21.648 0.886 1.00 0.00 C ATOM 385 CG GLU A 23 -16.865 20.476 -0.094 1.00 0.00 C ATOM 386 CD GLU A 23 -17.948 19.500 0.374 1.00 0.00 C ATOM 387 OE1 GLU A 23 -17.646 18.760 1.296 1.00 0.00 O ATOM 388 OE2 GLU A 23 -19.014 19.549 -0.217 1.00 0.00 O ATOM 0 H GLU A 23 -14.478 20.776 1.514 1.00 0.00 H new ATOM 0 HA GLU A 23 -15.465 22.823 -0.386 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -16.807 21.281 1.912 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -17.653 22.298 0.763 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -17.094 20.839 -1.096 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -15.902 19.969 -0.151 1.00 0.00 H new ATOM 395 N ARG A 24 -14.683 23.422 2.619 1.00 0.00 N ATOM 396 CA ARG A 24 -14.565 24.491 3.607 1.00 0.00 C ATOM 397 C ARG A 24 -13.468 25.443 3.168 1.00 0.00 C ATOM 398 O ARG A 24 -13.559 26.638 3.370 1.00 0.00 O ATOM 399 CB ARG A 24 -14.236 23.848 4.967 1.00 0.00 C ATOM 400 CG ARG A 24 -13.331 24.759 5.778 1.00 0.00 C ATOM 401 CD ARG A 24 -11.863 24.466 5.447 1.00 0.00 C ATOM 402 NE ARG A 24 -11.151 24.113 6.707 1.00 0.00 N ATOM 403 CZ ARG A 24 -10.056 24.743 7.020 1.00 0.00 C ATOM 404 NH1 ARG A 24 -10.031 26.043 6.920 1.00 0.00 N ATOM 405 NH2 ARG A 24 -9.024 24.055 7.424 1.00 0.00 N ATOM 0 H ARG A 24 -14.141 22.580 2.815 1.00 0.00 H new ATOM 0 HA ARG A 24 -15.492 25.057 3.697 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -15.157 23.656 5.518 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -13.749 22.885 4.813 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -13.561 25.802 5.560 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -13.510 24.609 6.843 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.793 23.647 4.731 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.399 25.336 4.982 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.518 23.384 7.319 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.859 26.546 6.602 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -9.183 26.557 7.160 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -9.083 23.039 7.491 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -8.158 24.533 7.673 1.00 0.00 H new ATOM 419 N GLU A 25 -12.447 24.898 2.557 1.00 0.00 N ATOM 420 CA GLU A 25 -11.348 25.765 2.095 1.00 0.00 C ATOM 421 C GLU A 25 -11.841 26.571 0.914 1.00 0.00 C ATOM 422 O GLU A 25 -11.440 27.698 0.710 1.00 0.00 O ATOM 423 CB GLU A 25 -10.170 24.895 1.635 1.00 0.00 C ATOM 424 CG GLU A 25 -9.377 24.421 2.856 1.00 0.00 C ATOM 425 CD GLU A 25 -8.631 25.604 3.470 1.00 0.00 C ATOM 426 OE1 GLU A 25 -8.101 26.373 2.689 1.00 0.00 O ATOM 427 OE2 GLU A 25 -8.635 25.672 4.689 1.00 0.00 O ATOM 0 H GLU A 25 -12.336 23.902 2.365 1.00 0.00 H new ATOM 0 HA GLU A 25 -11.027 26.421 2.904 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.536 24.037 1.071 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.523 25.464 0.967 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.050 23.981 3.592 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.671 23.644 2.565 1.00 0.00 H new ATOM 434 N TYR A 26 -12.717 25.963 0.142 1.00 0.00 N ATOM 435 CA TYR A 26 -13.257 26.670 -1.030 1.00 0.00 C ATOM 436 C TYR A 26 -14.231 27.725 -0.562 1.00 0.00 C ATOM 437 O TYR A 26 -14.330 28.793 -1.133 1.00 0.00 O ATOM 438 CB TYR A 26 -14.007 25.660 -1.912 1.00 0.00 C ATOM 439 CG TYR A 26 -13.572 25.839 -3.360 1.00 0.00 C ATOM 440 CD1 TYR A 26 -13.698 27.064 -3.977 1.00 0.00 C ATOM 441 CD2 TYR A 26 -13.049 24.779 -4.072 1.00 0.00 C ATOM 442 CE1 TYR A 26 -13.308 27.230 -5.288 1.00 0.00 C ATOM 443 CE2 TYR A 26 -12.659 24.944 -5.384 1.00 0.00 C ATOM 444 CZ TYR A 26 -12.785 26.171 -6.003 1.00 0.00 C ATOM 445 OH TYR A 26 -12.394 26.338 -7.314 1.00 0.00 O ATOM 0 H TYR A 26 -13.068 25.016 0.285 1.00 0.00 H new ATOM 0 HA TYR A 26 -12.447 27.134 -1.593 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -13.797 24.643 -1.580 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -15.083 25.809 -1.822 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -14.106 27.901 -3.429 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -12.945 23.814 -3.598 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -13.412 28.196 -5.760 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -12.252 24.107 -5.931 1.00 0.00 H new ATOM 0 HH TYR A 26 -12.048 25.490 -7.663 1.00 0.00 H new ATOM 455 N ALA A 27 -14.941 27.397 0.483 1.00 0.00 N ATOM 456 CA ALA A 27 -15.921 28.352 1.024 1.00 0.00 C ATOM 457 C ALA A 27 -15.206 29.501 1.712 1.00 0.00 C ATOM 458 O ALA A 27 -15.693 30.614 1.737 1.00 0.00 O ATOM 459 CB ALA A 27 -16.794 27.622 2.055 1.00 0.00 C ATOM 0 H ALA A 27 -14.878 26.507 0.978 1.00 0.00 H new ATOM 0 HA ALA A 27 -16.531 28.747 0.212 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -17.527 28.315 2.467 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -17.310 26.792 1.572 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -16.165 27.239 2.859 1.00 0.00 H new ATOM 465 N THR A 28 -14.054 29.211 2.260 1.00 0.00 N ATOM 466 CA THR A 28 -13.298 30.273 2.945 1.00 0.00 C ATOM 467 C THR A 28 -13.140 31.440 2.011 1.00 0.00 C ATOM 468 O THR A 28 -13.217 32.583 2.414 1.00 0.00 O ATOM 469 CB THR A 28 -11.911 29.734 3.311 1.00 0.00 C ATOM 470 OG1 THR A 28 -12.136 28.771 4.320 1.00 0.00 O ATOM 471 CG2 THR A 28 -11.063 30.820 3.993 1.00 0.00 C ATOM 0 H THR A 28 -13.616 28.290 2.257 1.00 0.00 H new ATOM 0 HA THR A 28 -13.826 30.588 3.845 1.00 0.00 H new ATOM 0 HB THR A 28 -11.411 29.367 2.415 1.00 0.00 H new ATOM 0 HG1 THR A 28 -12.648 28.022 3.949 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.083 30.413 4.243 1.00 0.00 H new ATOM 0 HG22 THR A 28 -10.943 31.666 3.316 1.00 0.00 H new ATOM 0 HG23 THR A 28 -11.561 31.152 4.904 1.00 0.00 H new ATOM 479 N ASN A 29 -12.916 31.131 0.765 1.00 0.00 N ATOM 480 CA ASN A 29 -12.750 32.216 -0.222 1.00 0.00 C ATOM 481 C ASN A 29 -12.962 31.706 -1.642 1.00 0.00 C ATOM 482 O ASN A 29 -14.060 31.739 -2.161 1.00 0.00 O ATOM 483 CB ASN A 29 -11.321 32.770 -0.101 1.00 0.00 C ATOM 484 CG ASN A 29 -11.081 33.792 -1.214 1.00 0.00 C ATOM 485 OD1 ASN A 29 -10.434 33.509 -2.203 1.00 0.00 O ATOM 486 ND2 ASN A 29 -11.582 34.991 -1.092 1.00 0.00 N ATOM 0 H ASN A 29 -12.842 30.183 0.396 1.00 0.00 H new ATOM 0 HA ASN A 29 -13.490 32.990 -0.020 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -11.181 33.237 0.874 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -10.596 31.959 -0.173 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -11.430 35.684 -1.824 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -12.126 35.235 -0.264 1.00 0.00 H new ATOM 493 N LYS A 30 -11.906 31.243 -2.239 1.00 0.00 N ATOM 494 CA LYS A 30 -12.006 30.723 -3.624 1.00 0.00 C ATOM 495 C LYS A 30 -10.903 29.718 -3.846 1.00 0.00 C ATOM 496 O LYS A 30 -11.131 28.620 -4.315 1.00 0.00 O ATOM 497 CB LYS A 30 -11.827 31.895 -4.602 1.00 0.00 C ATOM 498 CG LYS A 30 -12.477 31.536 -5.941 1.00 0.00 C ATOM 499 CD LYS A 30 -12.299 32.703 -6.914 1.00 0.00 C ATOM 500 CE LYS A 30 -13.150 32.450 -8.160 1.00 0.00 C ATOM 501 NZ LYS A 30 -13.408 33.727 -8.885 1.00 0.00 N ATOM 0 H LYS A 30 -10.974 31.202 -1.826 1.00 0.00 H new ATOM 0 HA LYS A 30 -12.975 30.250 -3.783 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -12.281 32.798 -4.194 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -10.767 32.108 -4.744 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -12.022 30.633 -6.349 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -13.537 31.323 -5.799 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -12.597 33.638 -6.439 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -11.250 32.806 -7.190 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -12.640 31.747 -8.819 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -14.096 31.990 -7.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -13.987 33.537 -9.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -13.914 34.386 -8.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -12.503 34.151 -9.175 1.00 0.00 H new ATOM 515 N PHE A 31 -9.717 30.121 -3.505 1.00 0.00 N ATOM 516 CA PHE A 31 -8.567 29.232 -3.670 1.00 0.00 C ATOM 517 C PHE A 31 -7.534 29.563 -2.622 1.00 0.00 C ATOM 518 O PHE A 31 -7.510 30.665 -2.109 1.00 0.00 O ATOM 519 CB PHE A 31 -7.960 29.392 -5.069 1.00 0.00 C ATOM 520 CG PHE A 31 -7.576 27.999 -5.555 1.00 0.00 C ATOM 521 CD1 PHE A 31 -6.528 27.321 -4.958 1.00 0.00 C ATOM 522 CD2 PHE A 31 -8.331 27.353 -6.513 1.00 0.00 C ATOM 523 CE1 PHE A 31 -6.252 26.020 -5.301 1.00 0.00 C ATOM 524 CE2 PHE A 31 -8.047 26.049 -6.857 1.00 0.00 C ATOM 525 CZ PHE A 31 -7.009 25.384 -6.243 1.00 0.00 C ATOM 0 H PHE A 31 -9.504 31.039 -3.116 1.00 0.00 H new ATOM 0 HA PHE A 31 -8.894 28.199 -3.554 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -8.676 29.853 -5.749 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -7.086 30.043 -5.037 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -5.922 27.819 -4.216 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -9.147 27.871 -6.995 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -5.435 25.499 -4.825 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -8.639 25.548 -7.609 1.00 0.00 H new ATOM 0 HZ PHE A 31 -6.794 24.359 -6.507 1.00 0.00 H new ATOM 535 N ILE A 32 -6.696 28.612 -2.323 1.00 0.00 N ATOM 536 CA ILE A 32 -5.654 28.846 -1.301 1.00 0.00 C ATOM 537 C ILE A 32 -4.252 28.922 -1.909 1.00 0.00 C ATOM 538 O ILE A 32 -4.013 28.466 -3.009 1.00 0.00 O ATOM 539 CB ILE A 32 -5.734 27.694 -0.296 1.00 0.00 C ATOM 540 CG1 ILE A 32 -6.739 26.648 -0.780 1.00 0.00 C ATOM 541 CG2 ILE A 32 -6.250 28.262 1.037 1.00 0.00 C ATOM 542 CD1 ILE A 32 -6.196 25.973 -2.042 1.00 0.00 C ATOM 0 H ILE A 32 -6.692 27.684 -2.745 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.832 29.807 -0.819 1.00 0.00 H new ATOM 0 HB ILE A 32 -4.751 27.236 -0.185 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -6.912 25.905 -0.002 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -7.699 27.119 -0.990 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.317 27.460 1.773 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.563 29.028 1.396 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -7.237 28.701 0.888 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -6.909 25.226 -2.391 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -6.046 26.722 -2.819 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -5.246 25.489 -1.816 1.00 0.00 H new ATOM 554 N THR A 33 -3.357 29.508 -1.162 1.00 0.00 N ATOM 555 CA THR A 33 -1.949 29.654 -1.635 1.00 0.00 C ATOM 556 C THR A 33 -1.234 28.307 -1.747 1.00 0.00 C ATOM 557 O THR A 33 -1.648 27.328 -1.165 1.00 0.00 O ATOM 558 CB THR A 33 -1.202 30.519 -0.617 1.00 0.00 C ATOM 559 OG1 THR A 33 -2.084 31.582 -0.310 1.00 0.00 O ATOM 560 CG2 THR A 33 0.013 31.200 -1.264 1.00 0.00 C ATOM 0 H THR A 33 -3.541 29.895 -0.237 1.00 0.00 H new ATOM 0 HA THR A 33 -1.962 30.105 -2.627 1.00 0.00 H new ATOM 0 HB THR A 33 -0.890 29.906 0.229 1.00 0.00 H new ATOM 0 HG1 THR A 33 -1.663 32.178 0.344 1.00 0.00 H new ATOM 0 HG21 THR A 33 0.527 31.809 -0.521 1.00 0.00 H new ATOM 0 HG22 THR A 33 0.695 30.441 -1.646 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.320 31.834 -2.085 1.00 0.00 H new ATOM 568 N LYS A 34 -0.161 28.294 -2.507 1.00 0.00 N ATOM 569 CA LYS A 34 0.607 27.032 -2.682 1.00 0.00 C ATOM 570 C LYS A 34 0.920 26.393 -1.335 1.00 0.00 C ATOM 571 O LYS A 34 0.987 25.184 -1.218 1.00 0.00 O ATOM 572 CB LYS A 34 1.923 27.363 -3.400 1.00 0.00 C ATOM 573 CG LYS A 34 1.644 27.535 -4.898 1.00 0.00 C ATOM 574 CD LYS A 34 0.835 28.828 -5.118 1.00 0.00 C ATOM 575 CE LYS A 34 -0.678 28.518 -5.115 1.00 0.00 C ATOM 576 NZ LYS A 34 -1.268 28.802 -6.453 1.00 0.00 N ATOM 0 H LYS A 34 0.209 29.102 -3.008 1.00 0.00 H new ATOM 0 HA LYS A 34 0.011 26.329 -3.264 1.00 0.00 H new ATOM 0 HB2 LYS A 34 2.356 28.275 -2.990 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.649 26.566 -3.241 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.582 27.580 -5.452 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.090 26.676 -5.278 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.067 29.549 -4.334 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.118 29.286 -6.066 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.841 27.473 -4.853 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.177 29.119 -4.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.286 28.589 -6.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.128 29.805 -6.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -0.802 28.210 -7.170 1.00 0.00 H new ATOM 590 N ASP A 35 1.120 27.208 -0.344 1.00 0.00 N ATOM 591 CA ASP A 35 1.423 26.650 0.986 1.00 0.00 C ATOM 592 C ASP A 35 0.138 26.175 1.637 1.00 0.00 C ATOM 593 O ASP A 35 0.121 25.211 2.380 1.00 0.00 O ATOM 594 CB ASP A 35 2.040 27.756 1.856 1.00 0.00 C ATOM 595 CG ASP A 35 2.677 27.127 3.097 1.00 0.00 C ATOM 596 OD1 ASP A 35 3.663 26.433 2.907 1.00 0.00 O ATOM 597 OD2 ASP A 35 2.141 27.375 4.165 1.00 0.00 O ATOM 0 H ASP A 35 1.086 28.226 -0.400 1.00 0.00 H new ATOM 0 HA ASP A 35 2.116 25.814 0.887 1.00 0.00 H new ATOM 0 HB2 ASP A 35 2.790 28.306 1.287 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.274 28.473 2.150 1.00 0.00 H new ATOM 602 N LYS A 36 -0.930 26.860 1.325 1.00 0.00 N ATOM 603 CA LYS A 36 -2.235 26.485 1.901 1.00 0.00 C ATOM 604 C LYS A 36 -2.844 25.306 1.154 1.00 0.00 C ATOM 605 O LYS A 36 -3.447 24.441 1.753 1.00 0.00 O ATOM 606 CB LYS A 36 -3.165 27.691 1.801 1.00 0.00 C ATOM 607 CG LYS A 36 -2.786 28.693 2.894 1.00 0.00 C ATOM 608 CD LYS A 36 -3.383 30.062 2.560 1.00 0.00 C ATOM 609 CE LYS A 36 -2.560 31.143 3.255 1.00 0.00 C ATOM 610 NZ LYS A 36 -2.392 30.818 4.698 1.00 0.00 N ATOM 0 H LYS A 36 -0.946 27.662 0.695 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.098 26.188 2.941 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -3.080 28.154 0.818 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.203 27.379 1.918 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -3.154 28.350 3.861 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.701 28.767 2.974 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.381 30.221 1.482 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.422 30.110 2.887 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.583 31.228 2.779 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.053 32.109 3.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.143 31.681 5.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.282 30.431 5.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.634 30.115 4.809 1.00 0.00 H new ATOM 624 N ARG A 37 -2.693 25.282 -0.141 1.00 0.00 N ATOM 625 CA ARG A 37 -3.271 24.149 -0.886 1.00 0.00 C ATOM 626 C ARG A 37 -2.454 22.919 -0.574 1.00 0.00 C ATOM 627 O ARG A 37 -2.948 21.802 -0.578 1.00 0.00 O ATOM 628 CB ARG A 37 -3.209 24.443 -2.396 1.00 0.00 C ATOM 629 CG ARG A 37 -1.754 24.472 -2.849 1.00 0.00 C ATOM 630 CD ARG A 37 -1.265 23.043 -3.123 1.00 0.00 C ATOM 631 NE ARG A 37 -0.884 22.934 -4.559 1.00 0.00 N ATOM 632 CZ ARG A 37 0.135 23.616 -5.007 1.00 0.00 C ATOM 633 NH1 ARG A 37 1.290 23.493 -4.411 1.00 0.00 N ATOM 634 NH2 ARG A 37 -0.036 24.398 -6.038 1.00 0.00 N ATOM 0 H ARG A 37 -2.205 25.984 -0.698 1.00 0.00 H new ATOM 0 HA ARG A 37 -4.311 23.995 -0.599 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.758 23.680 -2.949 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -3.687 25.399 -2.611 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.656 25.078 -3.749 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -1.134 24.937 -2.082 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.412 22.808 -2.487 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -2.048 22.324 -2.885 1.00 0.00 H new ATOM 0 HE ARG A 37 -1.415 22.331 -5.187 1.00 0.00 H new ATOM 0 HH11 ARG A 37 1.386 22.871 -3.608 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.096 24.019 -4.748 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -0.953 24.468 -6.479 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.748 24.939 -6.403 1.00 0.00 H new ATOM 648 N ARG A 38 -1.202 23.155 -0.298 1.00 0.00 N ATOM 649 CA ARG A 38 -0.306 22.046 0.026 1.00 0.00 C ATOM 650 C ARG A 38 -0.605 21.568 1.426 1.00 0.00 C ATOM 651 O ARG A 38 -0.385 20.420 1.757 1.00 0.00 O ATOM 652 CB ARG A 38 1.145 22.542 -0.028 1.00 0.00 C ATOM 653 CG ARG A 38 2.041 21.527 0.685 1.00 0.00 C ATOM 654 CD ARG A 38 3.506 21.862 0.403 1.00 0.00 C ATOM 655 NE ARG A 38 4.269 20.591 0.242 1.00 0.00 N ATOM 656 CZ ARG A 38 5.312 20.366 0.995 1.00 0.00 C ATOM 657 NH1 ARG A 38 6.176 21.325 1.185 1.00 0.00 N ATOM 658 NH2 ARG A 38 5.457 19.185 1.533 1.00 0.00 N ATOM 0 H ARG A 38 -0.772 24.080 -0.287 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.449 21.234 -0.686 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.463 22.665 -1.063 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.228 23.519 0.449 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.851 21.548 1.758 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.814 20.518 0.340 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.587 22.468 -0.500 1.00 0.00 H new ATOM 0 HD3 ARG A 38 3.922 22.451 1.220 1.00 0.00 H new ATOM 0 HE ARG A 38 3.978 19.902 -0.452 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.032 22.235 0.748 1.00 0.00 H new ATOM 0 HH12 ARG A 38 6.996 21.164 1.771 1.00 0.00 H new ATOM 0 HH21 ARG A 38 4.762 18.458 1.362 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.265 18.990 2.124 1.00 0.00 H new ATOM 672 N ARG A 39 -1.111 22.469 2.239 1.00 0.00 N ATOM 673 CA ARG A 39 -1.431 22.079 3.616 1.00 0.00 C ATOM 674 C ARG A 39 -2.485 21.029 3.534 1.00 0.00 C ATOM 675 O ARG A 39 -2.439 20.029 4.223 1.00 0.00 O ATOM 676 CB ARG A 39 -1.982 23.300 4.374 1.00 0.00 C ATOM 677 CG ARG A 39 -0.933 23.802 5.362 1.00 0.00 C ATOM 678 CD ARG A 39 -1.074 25.318 5.506 1.00 0.00 C ATOM 679 NE ARG A 39 -0.418 25.747 6.770 1.00 0.00 N ATOM 680 CZ ARG A 39 0.878 25.855 6.811 1.00 0.00 C ATOM 681 NH1 ARG A 39 1.568 25.588 5.735 1.00 0.00 N ATOM 682 NH2 ARG A 39 1.443 26.231 7.924 1.00 0.00 N ATOM 0 H ARG A 39 -1.307 23.440 1.996 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.549 21.710 4.138 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.242 24.091 3.671 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.896 23.031 4.903 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.064 23.318 6.330 1.00 0.00 H new ATOM 0 HG3 ARG A 39 0.067 23.548 5.011 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.616 25.821 4.654 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -2.127 25.599 5.514 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.979 25.954 7.597 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.090 25.300 4.881 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.585 25.667 5.748 1.00 0.00 H new ATOM 0 HH21 ARG A 39 0.870 26.435 8.743 1.00 0.00 H new ATOM 0 HH22 ARG A 39 2.458 26.321 7.976 1.00 0.00 H new ATOM 696 N ILE A 40 -3.435 21.274 2.673 1.00 0.00 N ATOM 697 CA ILE A 40 -4.509 20.306 2.511 1.00 0.00 C ATOM 698 C ILE A 40 -3.881 18.977 2.151 1.00 0.00 C ATOM 699 O ILE A 40 -3.840 18.080 2.954 1.00 0.00 O ATOM 700 CB ILE A 40 -5.398 20.757 1.361 1.00 0.00 C ATOM 701 CG1 ILE A 40 -5.937 22.164 1.619 1.00 0.00 C ATOM 702 CG2 ILE A 40 -6.574 19.798 1.272 1.00 0.00 C ATOM 703 CD1 ILE A 40 -6.595 22.705 0.336 1.00 0.00 C ATOM 0 H ILE A 40 -3.497 22.105 2.085 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.098 20.220 3.424 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.820 20.764 0.437 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -6.663 22.144 2.432 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -5.127 22.824 1.931 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -7.228 20.099 0.454 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.207 18.788 1.090 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -7.131 19.818 2.208 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.980 23.708 0.520 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.856 22.740 -0.465 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -7.416 22.050 0.044 1.00 0.00 H new ATOM 715 N SER A 41 -3.382 18.885 0.931 1.00 0.00 N ATOM 716 CA SER A 41 -2.738 17.609 0.499 1.00 0.00 C ATOM 717 C SER A 41 -1.868 17.030 1.618 1.00 0.00 C ATOM 718 O SER A 41 -1.782 15.831 1.784 1.00 0.00 O ATOM 719 CB SER A 41 -1.814 17.922 -0.683 1.00 0.00 C ATOM 720 OG SER A 41 -1.600 19.318 -0.591 1.00 0.00 O ATOM 0 H SER A 41 -3.396 19.629 0.233 1.00 0.00 H new ATOM 0 HA SER A 41 -3.517 16.893 0.237 1.00 0.00 H new ATOM 0 HB2 SER A 41 -0.877 17.369 -0.614 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.275 17.651 -1.633 1.00 0.00 H new ATOM 0 HG SER A 41 -1.095 19.518 0.225 1.00 0.00 H new ATOM 726 N ALA A 42 -1.237 17.905 2.364 1.00 0.00 N ATOM 727 CA ALA A 42 -0.367 17.432 3.474 1.00 0.00 C ATOM 728 C ALA A 42 -1.201 16.947 4.639 1.00 0.00 C ATOM 729 O ALA A 42 -0.797 16.067 5.373 1.00 0.00 O ATOM 730 CB ALA A 42 0.503 18.608 3.942 1.00 0.00 C ATOM 0 H ALA A 42 -1.289 18.917 2.250 1.00 0.00 H new ATOM 0 HA ALA A 42 0.249 16.606 3.118 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.149 18.281 4.757 1.00 0.00 H new ATOM 0 HB2 ALA A 42 1.116 18.960 3.112 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.137 19.419 4.290 1.00 0.00 H new ATOM 736 N THR A 43 -2.351 17.527 4.789 1.00 0.00 N ATOM 737 CA THR A 43 -3.229 17.115 5.900 1.00 0.00 C ATOM 738 C THR A 43 -4.123 16.005 5.416 1.00 0.00 C ATOM 739 O THR A 43 -4.552 15.155 6.170 1.00 0.00 O ATOM 740 CB THR A 43 -4.090 18.318 6.299 1.00 0.00 C ATOM 741 OG1 THR A 43 -3.447 18.881 7.422 1.00 0.00 O ATOM 742 CG2 THR A 43 -5.457 17.864 6.823 1.00 0.00 C ATOM 0 H THR A 43 -2.718 18.267 4.190 1.00 0.00 H new ATOM 0 HA THR A 43 -2.642 16.773 6.752 1.00 0.00 H new ATOM 0 HB THR A 43 -4.213 18.983 5.444 1.00 0.00 H new ATOM 0 HG1 THR A 43 -3.951 19.664 7.729 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.049 18.737 7.099 1.00 0.00 H new ATOM 0 HG22 THR A 43 -5.977 17.304 6.046 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.319 17.228 7.697 1.00 0.00 H new ATOM 750 N THR A 44 -4.381 16.045 4.151 1.00 0.00 N ATOM 751 CA THR A 44 -5.234 15.034 3.534 1.00 0.00 C ATOM 752 C THR A 44 -4.377 13.896 2.991 1.00 0.00 C ATOM 753 O THR A 44 -4.873 12.844 2.646 1.00 0.00 O ATOM 754 CB THR A 44 -5.957 15.720 2.392 1.00 0.00 C ATOM 755 OG1 THR A 44 -4.947 16.358 1.677 1.00 0.00 O ATOM 756 CG2 THR A 44 -6.827 16.867 2.914 1.00 0.00 C ATOM 0 H THR A 44 -4.025 16.755 3.511 1.00 0.00 H new ATOM 0 HA THR A 44 -5.937 14.616 4.255 1.00 0.00 H new ATOM 0 HB THR A 44 -6.561 15.001 1.839 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.345 16.992 1.044 1.00 0.00 H new ATOM 0 HG21 THR A 44 -7.337 17.346 2.078 1.00 0.00 H new ATOM 0 HG22 THR A 44 -7.565 16.474 3.613 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.198 17.598 3.423 1.00 0.00 H new ATOM 764 N ASN A 45 -3.091 14.150 2.918 1.00 0.00 N ATOM 765 CA ASN A 45 -2.145 13.120 2.407 1.00 0.00 C ATOM 766 C ASN A 45 -2.270 12.897 0.885 1.00 0.00 C ATOM 767 O ASN A 45 -2.628 11.822 0.445 1.00 0.00 O ATOM 768 CB ASN A 45 -2.432 11.794 3.146 1.00 0.00 C ATOM 769 CG ASN A 45 -1.145 10.962 3.224 1.00 0.00 C ATOM 770 OD1 ASN A 45 -1.096 9.832 2.782 1.00 0.00 O ATOM 771 ND2 ASN A 45 -0.083 11.483 3.780 1.00 0.00 N ATOM 0 H ASN A 45 -2.659 15.032 3.193 1.00 0.00 H new ATOM 0 HA ASN A 45 -1.130 13.470 2.592 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -2.807 11.998 4.149 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.208 11.235 2.623 1.00 0.00 H new ATOM 0 HD21 ASN A 45 0.779 10.941 3.840 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -0.116 12.432 4.154 1.00 0.00 H new ATOM 778 N LEU A 46 -1.964 13.927 0.109 1.00 0.00 N ATOM 779 CA LEU A 46 -2.055 13.784 -1.386 1.00 0.00 C ATOM 780 C LEU A 46 -0.743 14.233 -2.037 1.00 0.00 C ATOM 781 O LEU A 46 0.316 13.745 -1.695 1.00 0.00 O ATOM 782 CB LEU A 46 -3.187 14.672 -1.936 1.00 0.00 C ATOM 783 CG LEU A 46 -4.382 14.686 -0.983 1.00 0.00 C ATOM 784 CD1 LEU A 46 -5.279 15.875 -1.337 1.00 0.00 C ATOM 785 CD2 LEU A 46 -5.186 13.403 -1.164 1.00 0.00 C ATOM 0 H LEU A 46 -1.661 14.842 0.443 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.253 12.737 -1.616 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.820 15.688 -2.080 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.500 14.305 -2.913 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.032 14.764 0.046 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.136 15.897 -0.664 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.713 16.801 -1.234 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.627 15.775 -2.365 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.039 13.410 -0.486 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.541 13.338 -2.193 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.554 12.543 -0.943 1.00 0.00 H new ATOM 797 N SER A 47 -0.835 15.161 -2.969 1.00 0.00 N ATOM 798 CA SER A 47 0.399 15.643 -3.641 1.00 0.00 C ATOM 799 C SER A 47 0.214 17.061 -4.199 1.00 0.00 C ATOM 800 O SER A 47 0.817 17.411 -5.189 1.00 0.00 O ATOM 801 CB SER A 47 0.717 14.692 -4.808 1.00 0.00 C ATOM 802 OG SER A 47 2.116 14.838 -5.002 1.00 0.00 O ATOM 0 H SER A 47 -1.704 15.594 -3.283 1.00 0.00 H new ATOM 0 HA SER A 47 1.209 15.663 -2.912 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.453 13.662 -4.566 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.160 14.962 -5.705 1.00 0.00 H new ATOM 0 HG SER A 47 2.322 15.774 -5.205 1.00 0.00 H new ATOM 808 N GLU A 48 -0.622 17.845 -3.540 1.00 0.00 N ATOM 809 CA GLU A 48 -0.875 19.242 -3.998 1.00 0.00 C ATOM 810 C GLU A 48 -1.551 19.214 -5.344 1.00 0.00 C ATOM 811 O GLU A 48 -2.681 19.637 -5.487 1.00 0.00 O ATOM 812 CB GLU A 48 0.465 19.995 -4.100 1.00 0.00 C ATOM 813 CG GLU A 48 1.321 19.661 -2.869 1.00 0.00 C ATOM 814 CD GLU A 48 2.742 20.189 -3.079 1.00 0.00 C ATOM 815 OE1 GLU A 48 2.840 21.309 -3.549 1.00 0.00 O ATOM 816 OE2 GLU A 48 3.650 19.439 -2.756 1.00 0.00 O ATOM 0 H GLU A 48 -1.136 17.567 -2.704 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.521 19.752 -3.284 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.989 19.709 -5.012 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.290 21.069 -4.157 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.884 20.108 -1.976 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.342 18.583 -2.709 1.00 0.00 H new ATOM 823 N ARG A 49 -0.849 18.719 -6.309 1.00 0.00 N ATOM 824 CA ARG A 49 -1.425 18.644 -7.656 1.00 0.00 C ATOM 825 C ARG A 49 -2.797 18.039 -7.529 1.00 0.00 C ATOM 826 O ARG A 49 -3.701 18.376 -8.256 1.00 0.00 O ATOM 827 CB ARG A 49 -0.507 17.735 -8.517 1.00 0.00 C ATOM 828 CG ARG A 49 -1.284 17.144 -9.704 1.00 0.00 C ATOM 829 CD ARG A 49 -1.670 18.264 -10.667 1.00 0.00 C ATOM 830 NE ARG A 49 -2.363 17.666 -11.845 1.00 0.00 N ATOM 831 CZ ARG A 49 -1.683 16.936 -12.687 1.00 0.00 C ATOM 832 NH1 ARG A 49 -1.387 15.709 -12.361 1.00 0.00 N ATOM 833 NH2 ARG A 49 -1.328 17.457 -13.829 1.00 0.00 N ATOM 0 H ARG A 49 0.102 18.363 -6.219 1.00 0.00 H new ATOM 0 HA ARG A 49 -1.501 19.625 -8.125 1.00 0.00 H new ATOM 0 HB2 ARG A 49 0.343 18.311 -8.883 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -0.105 16.930 -7.902 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.674 16.402 -10.218 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.178 16.631 -9.348 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.322 18.982 -10.169 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.782 18.809 -10.988 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.360 17.826 -11.991 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.686 15.334 -11.461 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -0.856 15.124 -13.006 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -1.582 18.419 -14.051 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -0.796 16.902 -14.500 1.00 0.00 H new ATOM 847 N GLN A 50 -2.912 17.142 -6.586 1.00 0.00 N ATOM 848 CA GLN A 50 -4.195 16.481 -6.354 1.00 0.00 C ATOM 849 C GLN A 50 -5.186 17.507 -5.852 1.00 0.00 C ATOM 850 O GLN A 50 -6.274 17.619 -6.367 1.00 0.00 O ATOM 851 CB GLN A 50 -3.997 15.413 -5.273 1.00 0.00 C ATOM 852 CG GLN A 50 -2.923 14.422 -5.726 1.00 0.00 C ATOM 853 CD GLN A 50 -3.589 13.226 -6.412 1.00 0.00 C ATOM 854 OE1 GLN A 50 -3.774 12.180 -5.820 1.00 0.00 O ATOM 855 NE2 GLN A 50 -3.962 13.336 -7.657 1.00 0.00 N ATOM 0 H GLN A 50 -2.155 16.847 -5.969 1.00 0.00 H new ATOM 0 HA GLN A 50 -4.563 16.027 -7.274 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -3.702 15.881 -4.334 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -4.935 14.890 -5.088 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -2.230 14.909 -6.412 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -2.339 14.085 -4.869 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -3.810 14.210 -8.160 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -4.406 12.548 -8.128 1.00 0.00 H new ATOM 864 N VAL A 51 -4.788 18.253 -4.837 1.00 0.00 N ATOM 865 CA VAL A 51 -5.711 19.276 -4.305 1.00 0.00 C ATOM 866 C VAL A 51 -6.068 20.198 -5.431 1.00 0.00 C ATOM 867 O VAL A 51 -7.215 20.420 -5.729 1.00 0.00 O ATOM 868 CB VAL A 51 -5.021 20.091 -3.206 1.00 0.00 C ATOM 869 CG1 VAL A 51 -6.093 20.858 -2.424 1.00 0.00 C ATOM 870 CG2 VAL A 51 -4.290 19.148 -2.260 1.00 0.00 C ATOM 0 H VAL A 51 -3.881 18.188 -4.374 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.596 18.795 -3.888 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.306 20.785 -3.648 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.619 21.444 -1.637 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.629 21.524 -3.100 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.794 20.152 -1.979 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.799 19.726 -1.478 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.004 18.460 -1.808 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.543 18.582 -2.816 1.00 0.00 H new ATOM 880 N THR A 52 -5.057 20.712 -6.039 1.00 0.00 N ATOM 881 CA THR A 52 -5.266 21.624 -7.159 1.00 0.00 C ATOM 882 C THR A 52 -6.285 21.014 -8.090 1.00 0.00 C ATOM 883 O THR A 52 -7.196 21.665 -8.570 1.00 0.00 O ATOM 884 CB THR A 52 -3.947 21.695 -7.885 1.00 0.00 C ATOM 885 OG1 THR A 52 -3.006 22.097 -6.915 1.00 0.00 O ATOM 886 CG2 THR A 52 -3.924 22.803 -8.929 1.00 0.00 C ATOM 0 H THR A 52 -4.082 20.533 -5.800 1.00 0.00 H new ATOM 0 HA THR A 52 -5.609 22.605 -6.828 1.00 0.00 H new ATOM 0 HB THR A 52 -3.756 20.736 -8.366 1.00 0.00 H new ATOM 0 HG1 THR A 52 -2.119 22.161 -7.327 1.00 0.00 H new ATOM 0 HG21 THR A 52 -2.954 22.815 -9.426 1.00 0.00 H new ATOM 0 HG22 THR A 52 -4.707 22.625 -9.666 1.00 0.00 H new ATOM 0 HG23 THR A 52 -4.095 23.764 -8.444 1.00 0.00 H new ATOM 894 N ILE A 53 -6.095 19.748 -8.314 1.00 0.00 N ATOM 895 CA ILE A 53 -6.995 19.001 -9.194 1.00 0.00 C ATOM 896 C ILE A 53 -8.296 18.756 -8.468 1.00 0.00 C ATOM 897 O ILE A 53 -9.330 18.542 -9.073 1.00 0.00 O ATOM 898 CB ILE A 53 -6.315 17.662 -9.504 1.00 0.00 C ATOM 899 CG1 ILE A 53 -5.357 17.771 -10.710 1.00 0.00 C ATOM 900 CG2 ILE A 53 -7.389 16.626 -9.833 1.00 0.00 C ATOM 901 CD1 ILE A 53 -4.959 19.234 -10.991 1.00 0.00 C ATOM 0 H ILE A 53 -5.336 19.199 -7.911 1.00 0.00 H new ATOM 0 HA ILE A 53 -7.200 19.550 -10.113 1.00 0.00 H new ATOM 0 HB ILE A 53 -5.735 17.369 -8.629 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.461 17.181 -10.518 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.834 17.347 -11.594 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -6.916 15.669 -10.055 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -8.057 16.511 -8.979 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -7.961 16.958 -10.699 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -4.284 19.270 -11.846 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.853 19.819 -11.209 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.458 19.649 -10.116 1.00 0.00 H new ATOM 913 N TRP A 54 -8.218 18.802 -7.168 1.00 0.00 N ATOM 914 CA TRP A 54 -9.413 18.583 -6.363 1.00 0.00 C ATOM 915 C TRP A 54 -10.281 19.798 -6.468 1.00 0.00 C ATOM 916 O TRP A 54 -11.460 19.712 -6.749 1.00 0.00 O ATOM 917 CB TRP A 54 -8.975 18.388 -4.897 1.00 0.00 C ATOM 918 CG TRP A 54 -10.011 17.580 -4.160 1.00 0.00 C ATOM 919 CD1 TRP A 54 -11.239 17.394 -4.603 1.00 0.00 C ATOM 920 CD2 TRP A 54 -9.758 16.830 -3.112 1.00 0.00 C ATOM 921 NE1 TRP A 54 -11.732 16.460 -3.784 1.00 0.00 N ATOM 922 CE2 TRP A 54 -10.858 16.044 -2.813 1.00 0.00 C ATOM 923 CE3 TRP A 54 -8.615 16.739 -2.305 1.00 0.00 C ATOM 924 CZ2 TRP A 54 -10.832 15.176 -1.763 1.00 0.00 C ATOM 925 CZ3 TRP A 54 -8.611 15.852 -1.238 1.00 0.00 C ATOM 926 CH2 TRP A 54 -9.722 15.074 -0.978 1.00 0.00 C ATOM 0 H TRP A 54 -7.364 18.984 -6.640 1.00 0.00 H new ATOM 0 HA TRP A 54 -9.963 17.707 -6.707 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -8.011 17.881 -4.860 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -8.845 19.357 -4.415 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -11.730 17.881 -5.432 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -12.678 16.088 -3.874 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -7.749 17.351 -2.511 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -11.697 14.565 -1.551 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -7.737 15.770 -0.609 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -9.711 14.382 -0.149 1.00 0.00 H new ATOM 937 N PHE A 55 -9.683 20.929 -6.285 1.00 0.00 N ATOM 938 CA PHE A 55 -10.485 22.155 -6.376 1.00 0.00 C ATOM 939 C PHE A 55 -11.212 22.226 -7.715 1.00 0.00 C ATOM 940 O PHE A 55 -12.390 22.519 -7.767 1.00 0.00 O ATOM 941 CB PHE A 55 -9.563 23.351 -6.236 1.00 0.00 C ATOM 942 CG PHE A 55 -9.390 23.646 -4.755 1.00 0.00 C ATOM 943 CD1 PHE A 55 -8.774 22.728 -3.930 1.00 0.00 C ATOM 944 CD2 PHE A 55 -9.872 24.817 -4.210 1.00 0.00 C ATOM 945 CE1 PHE A 55 -8.644 22.972 -2.590 1.00 0.00 C ATOM 946 CE2 PHE A 55 -9.742 25.059 -2.864 1.00 0.00 C ATOM 947 CZ PHE A 55 -9.127 24.138 -2.053 1.00 0.00 C ATOM 0 H PHE A 55 -8.692 21.054 -6.080 1.00 0.00 H new ATOM 0 HA PHE A 55 -11.230 22.155 -5.580 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -8.598 23.143 -6.698 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -9.982 24.216 -6.750 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -8.391 21.808 -4.346 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -10.354 25.547 -4.844 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -8.160 22.245 -1.954 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -10.125 25.977 -2.443 1.00 0.00 H new ATOM 0 HZ PHE A 55 -9.024 24.331 -0.995 1.00 0.00 H new ATOM 957 N GLN A 56 -10.501 21.954 -8.776 1.00 0.00 N ATOM 958 CA GLN A 56 -11.148 22.002 -10.106 1.00 0.00 C ATOM 959 C GLN A 56 -12.299 21.007 -10.169 1.00 0.00 C ATOM 960 O GLN A 56 -13.309 21.257 -10.798 1.00 0.00 O ATOM 961 CB GLN A 56 -10.112 21.613 -11.155 1.00 0.00 C ATOM 962 CG GLN A 56 -9.063 22.723 -11.262 1.00 0.00 C ATOM 963 CD GLN A 56 -8.204 22.488 -12.507 1.00 0.00 C ATOM 964 OE1 GLN A 56 -8.279 21.340 -13.121 1.00 0.00 O flip ATOM 965 NE2 GLN A 56 -7.459 23.350 -12.932 1.00 0.00 N flip ATOM 0 H GLN A 56 -9.512 21.704 -8.775 1.00 0.00 H new ATOM 0 HA GLN A 56 -11.533 23.006 -10.287 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -9.636 20.671 -10.882 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -10.594 21.458 -12.120 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -9.551 23.696 -11.321 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -8.436 22.734 -10.370 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -7.396 24.250 -12.456 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -6.897 23.173 -13.765 1.00 0.00 H new ATOM 974 N ASN A 57 -12.127 19.893 -9.505 1.00 0.00 N ATOM 975 CA ASN A 57 -13.195 18.878 -9.515 1.00 0.00 C ATOM 976 C ASN A 57 -14.340 19.397 -8.703 1.00 0.00 C ATOM 977 O ASN A 57 -15.488 19.291 -9.079 1.00 0.00 O ATOM 978 CB ASN A 57 -12.660 17.588 -8.870 1.00 0.00 C ATOM 979 CG ASN A 57 -12.196 16.627 -9.965 1.00 0.00 C ATOM 980 OD1 ASN A 57 -11.387 16.969 -10.806 1.00 0.00 O ATOM 981 ND2 ASN A 57 -12.683 15.415 -9.993 1.00 0.00 N ATOM 0 H ASN A 57 -11.296 19.653 -8.964 1.00 0.00 H new ATOM 0 HA ASN A 57 -13.519 18.670 -10.535 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -11.832 17.820 -8.200 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -13.438 17.121 -8.266 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -12.384 14.762 -10.717 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -13.362 15.122 -9.290 1.00 0.00 H new ATOM 988 N ARG A 58 -13.999 19.959 -7.591 1.00 0.00 N ATOM 989 CA ARG A 58 -15.023 20.507 -6.720 1.00 0.00 C ATOM 990 C ARG A 58 -15.799 21.566 -7.488 1.00 0.00 C ATOM 991 O ARG A 58 -16.920 21.900 -7.153 1.00 0.00 O ATOM 992 CB ARG A 58 -14.313 21.154 -5.524 1.00 0.00 C ATOM 993 CG ARG A 58 -14.888 20.590 -4.218 1.00 0.00 C ATOM 994 CD ARG A 58 -16.248 21.232 -3.934 1.00 0.00 C ATOM 995 NE ARG A 58 -16.051 22.437 -3.082 1.00 0.00 N ATOM 996 CZ ARG A 58 -16.941 23.392 -3.108 1.00 0.00 C ATOM 997 NH1 ARG A 58 -17.034 24.138 -4.175 1.00 0.00 N ATOM 998 NH2 ARG A 58 -17.710 23.568 -2.068 1.00 0.00 N ATOM 0 H ARG A 58 -13.041 20.057 -7.255 1.00 0.00 H new ATOM 0 HA ARG A 58 -15.711 19.733 -6.380 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -13.242 20.960 -5.575 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -14.442 22.236 -5.553 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -14.994 19.508 -4.294 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -14.203 20.786 -3.393 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -16.736 21.508 -4.869 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -16.902 20.520 -3.432 1.00 0.00 H new ATOM 0 HE ARG A 58 -15.229 22.516 -2.484 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -16.417 23.970 -4.970 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -17.723 24.889 -4.214 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -17.610 22.964 -1.252 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -18.411 24.309 -2.071 1.00 0.00 H new ATOM 1012 N ARG A 59 -15.185 22.063 -8.541 1.00 0.00 N ATOM 1013 CA ARG A 59 -15.864 23.098 -9.348 1.00 0.00 C ATOM 1014 C ARG A 59 -16.663 22.410 -10.418 1.00 0.00 C ATOM 1015 O ARG A 59 -17.589 22.960 -10.979 1.00 0.00 O ATOM 1016 CB ARG A 59 -14.802 23.991 -10.002 1.00 0.00 C ATOM 1017 CG ARG A 59 -15.377 25.397 -10.190 1.00 0.00 C ATOM 1018 CD ARG A 59 -14.419 26.220 -11.051 1.00 0.00 C ATOM 1019 NE ARG A 59 -14.719 27.666 -10.860 1.00 0.00 N ATOM 1020 CZ ARG A 59 -14.444 28.509 -11.816 1.00 0.00 C ATOM 1021 NH1 ARG A 59 -14.894 28.268 -13.017 1.00 0.00 N ATOM 1022 NH2 ARG A 59 -13.730 29.565 -11.540 1.00 0.00 N ATOM 0 H ARG A 59 -14.256 21.793 -8.863 1.00 0.00 H new ATOM 0 HA ARG A 59 -16.518 23.706 -8.723 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -13.908 24.030 -9.379 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -14.502 23.576 -10.964 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -16.356 25.342 -10.665 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -15.519 25.877 -9.222 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -13.386 26.009 -10.772 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -14.528 25.948 -12.101 1.00 0.00 H new ATOM 0 HE ARG A 59 -15.136 27.994 -9.989 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -15.450 27.432 -13.195 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -14.689 28.916 -13.778 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -13.396 29.721 -10.589 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -13.505 30.235 -12.275 1.00 0.00 H new ATOM 1036 N VAL A 60 -16.272 21.203 -10.675 1.00 0.00 N ATOM 1037 CA VAL A 60 -16.954 20.405 -11.692 1.00 0.00 C ATOM 1038 C VAL A 60 -18.099 19.640 -11.035 1.00 0.00 C ATOM 1039 O VAL A 60 -18.993 19.146 -11.693 1.00 0.00 O ATOM 1040 CB VAL A 60 -15.907 19.426 -12.274 1.00 0.00 C ATOM 1041 CG1 VAL A 60 -16.224 17.985 -11.855 1.00 0.00 C ATOM 1042 CG2 VAL A 60 -15.927 19.520 -13.802 1.00 0.00 C ATOM 0 H VAL A 60 -15.494 20.735 -10.210 1.00 0.00 H new ATOM 0 HA VAL A 60 -17.369 21.027 -12.485 1.00 0.00 H new ATOM 0 HB VAL A 60 -14.923 19.695 -11.891 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -15.476 17.311 -12.274 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -16.210 17.911 -10.768 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -17.211 17.707 -12.225 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -15.191 18.832 -14.219 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -16.919 19.257 -14.170 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -15.685 20.538 -14.107 1.00 0.00 H new ATOM 1052 N LYS A 61 -18.034 19.566 -9.730 1.00 0.00 N ATOM 1053 CA LYS A 61 -19.080 18.855 -8.973 1.00 0.00 C ATOM 1054 C LYS A 61 -20.184 19.824 -8.594 1.00 0.00 C ATOM 1055 O LYS A 61 -21.340 19.459 -8.523 1.00 0.00 O ATOM 1056 CB LYS A 61 -18.451 18.291 -7.687 1.00 0.00 C ATOM 1057 CG LYS A 61 -19.444 17.330 -7.023 1.00 0.00 C ATOM 1058 CD LYS A 61 -19.512 17.633 -5.522 1.00 0.00 C ATOM 1059 CE LYS A 61 -20.647 16.818 -4.894 1.00 0.00 C ATOM 1060 NZ LYS A 61 -20.949 17.312 -3.520 1.00 0.00 N ATOM 0 H LYS A 61 -17.291 19.974 -9.162 1.00 0.00 H new ATOM 0 HA LYS A 61 -19.496 18.052 -9.582 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -17.522 17.770 -7.920 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -18.199 19.103 -7.004 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -20.431 17.439 -7.473 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -19.133 16.298 -7.184 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -18.564 17.385 -5.046 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -19.681 18.698 -5.361 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -21.539 16.888 -5.516 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -20.368 15.765 -4.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -21.721 16.748 -3.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -20.101 17.223 -2.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -21.236 18.310 -3.565 1.00 0.00 H new ATOM 1074 N GLU A 62 -19.804 21.055 -8.356 1.00 0.00 N ATOM 1075 CA GLU A 62 -20.812 22.059 -7.984 1.00 0.00 C ATOM 1076 C GLU A 62 -21.830 22.169 -9.087 1.00 0.00 C ATOM 1077 O GLU A 62 -22.958 22.571 -8.873 1.00 0.00 O ATOM 1078 CB GLU A 62 -20.098 23.408 -7.802 1.00 0.00 C ATOM 1079 CG GLU A 62 -20.005 24.139 -9.146 1.00 0.00 C ATOM 1080 CD GLU A 62 -21.265 24.984 -9.351 1.00 0.00 C ATOM 1081 OE1 GLU A 62 -21.415 25.925 -8.590 1.00 0.00 O ATOM 1082 OE2 GLU A 62 -22.003 24.644 -10.260 1.00 0.00 O ATOM 0 H GLU A 62 -18.843 21.394 -8.406 1.00 0.00 H new ATOM 0 HA GLU A 62 -21.316 21.774 -7.061 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -20.640 24.021 -7.082 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -19.099 23.248 -7.396 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -19.120 24.775 -9.167 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -19.900 23.419 -9.958 1.00 0.00 H new