USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 470 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 35 LYS NZ :NH3+ -138:sc= -0.23 (180deg=-1.87!) USER MOD Set 1.2: A 38 GLN : amide:sc= 0.254 K(o=0.025,f=-9.8!) USER MOD Single : A 26 SER OG : rot 180:sc= -0.264 USER MOD Single : A 28 MET CE :methyl 160:sc= 0 (180deg=-0.294) USER MOD Single : A 32 SER OG : rot 180:sc= -0.481 USER MOD Single : A 40 GLN : amide:sc= -0.112 X(o=-0.11,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.299 USER MOD Single : A 58 MET CE :methyl -144:sc= -1.35 (180deg=-3.79!) USER MOD Single : A 60 ASN : amide:sc= -0.22 X(o=-0.22,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -120:sc= -0.131 (180deg=-2.04!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 319 N VAL A 25 5.332 1.664 6.903 1.00 0.00 N ATOM 320 CA VAL A 25 4.927 0.483 6.150 1.00 0.00 C ATOM 321 C VAL A 25 6.057 -0.540 6.085 1.00 0.00 C ATOM 322 O VAL A 25 6.682 -0.726 5.041 1.00 0.00 O ATOM 323 CB VAL A 25 4.495 0.850 4.717 1.00 0.00 C ATOM 324 CG1 VAL A 25 3.896 -0.357 4.013 1.00 0.00 C ATOM 325 CG2 VAL A 25 3.510 2.009 4.737 1.00 0.00 C ATOM 0 HA VAL A 25 4.077 0.048 6.675 1.00 0.00 H new ATOM 0 HB VAL A 25 5.378 1.163 4.160 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.597 -0.078 3.003 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.637 -1.155 3.965 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.024 -0.705 4.566 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.216 2.254 3.716 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.627 1.727 5.311 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.980 2.878 5.198 1.00 0.00 H new ATOM 335 N SER A 26 6.316 -1.199 7.210 1.00 0.00 N ATOM 336 CA SER A 26 7.371 -2.202 7.282 1.00 0.00 C ATOM 337 C SER A 26 6.980 -3.462 6.517 1.00 0.00 C ATOM 338 O SER A 26 5.894 -3.538 5.941 1.00 0.00 O ATOM 339 CB SER A 26 7.672 -2.551 8.741 1.00 0.00 C ATOM 340 OG SER A 26 8.665 -3.558 8.831 1.00 0.00 O ATOM 0 H SER A 26 5.810 -1.056 8.084 1.00 0.00 H new ATOM 0 HA SER A 26 8.266 -1.784 6.822 1.00 0.00 H new ATOM 0 HB2 SER A 26 8.006 -1.658 9.270 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.760 -2.890 9.232 1.00 0.00 H new ATOM 0 HG SER A 26 8.840 -3.761 9.774 1.00 0.00 H new ATOM 346 N ALA A 27 7.871 -4.447 6.515 1.00 0.00 N ATOM 347 CA ALA A 27 7.619 -5.705 5.821 1.00 0.00 C ATOM 348 C ALA A 27 6.363 -6.384 6.354 1.00 0.00 C ATOM 349 O ALA A 27 5.558 -6.913 5.588 1.00 0.00 O ATOM 350 CB ALA A 27 8.819 -6.631 5.955 1.00 0.00 C ATOM 0 H ALA A 27 8.774 -4.399 6.986 1.00 0.00 H new ATOM 0 HA ALA A 27 7.460 -5.484 4.766 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.617 -7.566 5.432 1.00 0.00 H new ATOM 0 HB2 ALA A 27 9.697 -6.154 5.519 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.004 -6.837 7.009 1.00 0.00 H new ATOM 356 N MET A 28 6.202 -6.368 7.674 1.00 0.00 N ATOM 357 CA MET A 28 5.043 -6.982 8.309 1.00 0.00 C ATOM 358 C MET A 28 3.754 -6.297 7.868 1.00 0.00 C ATOM 359 O MET A 28 2.697 -6.925 7.798 1.00 0.00 O ATOM 360 CB MET A 28 5.174 -6.916 9.831 1.00 0.00 C ATOM 361 CG MET A 28 4.091 -7.688 10.569 1.00 0.00 C ATOM 362 SD MET A 28 4.752 -8.754 11.865 1.00 0.00 S ATOM 363 CE MET A 28 3.252 -9.197 12.737 1.00 0.00 C ATOM 0 H MET A 28 6.860 -5.937 8.323 1.00 0.00 H new ATOM 0 HA MET A 28 5.002 -8.026 8.000 1.00 0.00 H new ATOM 0 HB2 MET A 28 6.149 -7.307 10.121 1.00 0.00 H new ATOM 0 HB3 MET A 28 5.143 -5.873 10.145 1.00 0.00 H new ATOM 0 HG2 MET A 28 3.385 -6.984 11.009 1.00 0.00 H new ATOM 0 HG3 MET A 28 3.533 -8.294 9.855 1.00 0.00 H new ATOM 0 HE1 MET A 28 3.424 -10.101 13.321 1.00 0.00 H new ATOM 0 HE2 MET A 28 2.965 -8.384 13.404 1.00 0.00 H new ATOM 0 HE3 MET A 28 2.452 -9.376 12.018 1.00 0.00 H new ATOM 373 N PHE A 29 3.848 -5.004 7.571 1.00 0.00 N ATOM 374 CA PHE A 29 2.689 -4.233 7.136 1.00 0.00 C ATOM 375 C PHE A 29 2.317 -4.578 5.697 1.00 0.00 C ATOM 376 O PHE A 29 1.138 -4.644 5.349 1.00 0.00 O ATOM 377 CB PHE A 29 2.971 -2.735 7.258 1.00 0.00 C ATOM 378 CG PHE A 29 1.768 -1.874 6.999 1.00 0.00 C ATOM 379 CD1 PHE A 29 1.258 -1.739 5.718 1.00 0.00 C ATOM 380 CD2 PHE A 29 1.147 -1.199 8.038 1.00 0.00 C ATOM 381 CE1 PHE A 29 0.150 -0.947 5.478 1.00 0.00 C ATOM 382 CE2 PHE A 29 0.039 -0.406 7.805 1.00 0.00 C ATOM 383 CZ PHE A 29 -0.459 -0.280 6.522 1.00 0.00 C ATOM 0 H PHE A 29 4.715 -4.469 7.624 1.00 0.00 H new ATOM 0 HA PHE A 29 1.849 -4.490 7.781 1.00 0.00 H new ATOM 0 HB2 PHE A 29 3.349 -2.525 8.259 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.760 -2.464 6.556 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.731 -2.258 4.898 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.533 -1.294 9.042 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.238 -0.850 4.475 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.436 0.114 8.624 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.324 0.340 6.336 1.00 0.00 H new ATOM 393 N ILE A 30 3.330 -4.796 4.865 1.00 0.00 N ATOM 394 CA ILE A 30 3.110 -5.134 3.464 1.00 0.00 C ATOM 395 C ILE A 30 2.485 -6.519 3.330 1.00 0.00 C ATOM 396 O ILE A 30 1.552 -6.717 2.551 1.00 0.00 O ATOM 397 CB ILE A 30 4.425 -5.096 2.661 1.00 0.00 C ATOM 398 CG1 ILE A 30 5.144 -3.764 2.883 1.00 0.00 C ATOM 399 CG2 ILE A 30 4.152 -5.315 1.181 1.00 0.00 C ATOM 400 CD1 ILE A 30 6.646 -3.853 2.715 1.00 0.00 C ATOM 0 H ILE A 30 4.312 -4.745 5.137 1.00 0.00 H new ATOM 0 HA ILE A 30 2.428 -4.386 3.060 1.00 0.00 H new ATOM 0 HB ILE A 30 5.070 -5.901 3.013 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.751 -3.027 2.183 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.919 -3.402 3.886 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.092 -5.285 0.629 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.678 -6.286 1.038 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.490 -4.531 0.813 1.00 0.00 H new ATOM 0 HD11 ILE A 30 7.090 -2.872 2.887 1.00 0.00 H new ATOM 0 HD12 ILE A 30 7.051 -4.566 3.434 1.00 0.00 H new ATOM 0 HD13 ILE A 30 6.880 -4.185 1.703 1.00 0.00 H new ATOM 412 N PHE A 31 3.005 -7.472 4.094 1.00 0.00 N ATOM 413 CA PHE A 31 2.499 -8.840 4.063 1.00 0.00 C ATOM 414 C PHE A 31 1.104 -8.917 4.675 1.00 0.00 C ATOM 415 O PHE A 31 0.257 -9.685 4.218 1.00 0.00 O ATOM 416 CB PHE A 31 3.452 -9.775 4.812 1.00 0.00 C ATOM 417 CG PHE A 31 3.000 -11.207 4.832 1.00 0.00 C ATOM 418 CD1 PHE A 31 3.208 -12.029 3.736 1.00 0.00 C ATOM 419 CD2 PHE A 31 2.365 -11.731 5.947 1.00 0.00 C ATOM 420 CE1 PHE A 31 2.792 -13.347 3.752 1.00 0.00 C ATOM 421 CE2 PHE A 31 1.947 -13.047 5.968 1.00 0.00 C ATOM 422 CZ PHE A 31 2.161 -13.857 4.870 1.00 0.00 C ATOM 0 H PHE A 31 3.777 -7.323 4.743 1.00 0.00 H new ATOM 0 HA PHE A 31 2.436 -9.156 3.022 1.00 0.00 H new ATOM 0 HB2 PHE A 31 4.438 -9.721 4.350 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.561 -9.423 5.838 1.00 0.00 H new ATOM 0 HD1 PHE A 31 3.701 -11.635 2.859 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.195 -11.103 6.809 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.960 -13.977 2.891 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.453 -13.443 6.843 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.836 -14.887 4.885 1.00 0.00 H new ATOM 432 N SER A 32 0.873 -8.118 5.712 1.00 0.00 N ATOM 433 CA SER A 32 -0.418 -8.096 6.387 1.00 0.00 C ATOM 434 C SER A 32 -1.460 -7.350 5.558 1.00 0.00 C ATOM 435 O SER A 32 -2.660 -7.586 5.696 1.00 0.00 O ATOM 436 CB SER A 32 -0.285 -7.445 7.766 1.00 0.00 C ATOM 437 OG SER A 32 -1.532 -7.407 8.435 1.00 0.00 O ATOM 0 H SER A 32 1.564 -7.477 6.103 1.00 0.00 H new ATOM 0 HA SER A 32 -0.751 -9.127 6.508 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.436 -8.001 8.366 1.00 0.00 H new ATOM 0 HB3 SER A 32 0.104 -6.432 7.657 1.00 0.00 H new ATOM 0 HG SER A 32 -1.419 -6.988 9.314 1.00 0.00 H new ATOM 443 N GLU A 33 -0.995 -6.445 4.701 1.00 0.00 N ATOM 444 CA GLU A 33 -1.891 -5.665 3.854 1.00 0.00 C ATOM 445 C GLU A 33 -2.041 -6.307 2.479 1.00 0.00 C ATOM 446 O GLU A 33 -3.088 -6.196 1.842 1.00 0.00 O ATOM 447 CB GLU A 33 -1.367 -4.236 3.707 1.00 0.00 C ATOM 448 CG GLU A 33 -2.382 -3.273 3.109 1.00 0.00 C ATOM 449 CD GLU A 33 -1.950 -2.732 1.760 1.00 0.00 C ATOM 450 OE1 GLU A 33 -0.834 -2.179 1.673 1.00 0.00 O ATOM 451 OE2 GLU A 33 -2.729 -2.859 0.792 1.00 0.00 O ATOM 0 H GLU A 33 -0.005 -6.234 4.575 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.871 -5.641 4.330 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.062 -3.867 4.686 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.476 -4.248 3.079 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.340 -3.781 3.002 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.537 -2.442 3.797 1.00 0.00 H new ATOM 458 N GLU A 34 -0.987 -6.979 2.026 1.00 0.00 N ATOM 459 CA GLU A 34 -1.002 -7.638 0.725 1.00 0.00 C ATOM 460 C GLU A 34 -1.704 -8.989 0.804 1.00 0.00 C ATOM 461 O GLU A 34 -2.317 -9.439 -0.163 1.00 0.00 O ATOM 462 CB GLU A 34 0.425 -7.821 0.206 1.00 0.00 C ATOM 463 CG GLU A 34 0.495 -8.156 -1.275 1.00 0.00 C ATOM 464 CD GLU A 34 1.881 -8.592 -1.709 1.00 0.00 C ATOM 465 OE1 GLU A 34 2.794 -7.742 -1.719 1.00 0.00 O ATOM 466 OE2 GLU A 34 2.051 -9.785 -2.039 1.00 0.00 O ATOM 0 H GLU A 34 -0.112 -7.081 2.541 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.555 -7.003 0.033 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.990 -6.907 0.390 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.910 -8.616 0.773 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.218 -8.950 -1.498 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.194 -7.284 -1.856 1.00 0.00 H new ATOM 473 N LYS A 35 -1.607 -9.634 1.963 1.00 0.00 N ATOM 474 CA LYS A 35 -2.231 -10.936 2.168 1.00 0.00 C ATOM 475 C LYS A 35 -3.685 -10.786 2.612 1.00 0.00 C ATOM 476 O LYS A 35 -4.492 -11.699 2.437 1.00 0.00 O ATOM 477 CB LYS A 35 -1.450 -11.741 3.208 1.00 0.00 C ATOM 478 CG LYS A 35 -0.030 -12.072 2.780 1.00 0.00 C ATOM 479 CD LYS A 35 0.026 -13.361 1.974 1.00 0.00 C ATOM 480 CE LYS A 35 0.284 -13.089 0.500 1.00 0.00 C ATOM 481 NZ LYS A 35 -0.963 -13.186 -0.310 1.00 0.00 N ATOM 0 H LYS A 35 -1.102 -9.276 2.774 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.216 -11.468 1.217 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.418 -11.179 4.141 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.984 -12.669 3.413 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.372 -11.252 2.184 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.604 -12.166 3.662 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.813 -14.004 2.369 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.914 -13.902 2.086 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.715 -12.095 0.385 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.018 -13.801 0.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.762 -13.688 -1.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.686 -13.708 0.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.313 -12.230 -0.524 1.00 0.00 H new ATOM 495 N ARG A 36 -4.014 -9.632 3.186 1.00 0.00 N ATOM 496 CA ARG A 36 -5.371 -9.369 3.653 1.00 0.00 C ATOM 497 C ARG A 36 -6.388 -9.585 2.537 1.00 0.00 C ATOM 498 O ARG A 36 -7.344 -10.346 2.693 1.00 0.00 O ATOM 499 CB ARG A 36 -5.481 -7.939 4.187 1.00 0.00 C ATOM 500 CG ARG A 36 -6.860 -7.594 4.726 1.00 0.00 C ATOM 501 CD ARG A 36 -7.122 -6.099 4.669 1.00 0.00 C ATOM 502 NE ARG A 36 -7.185 -5.605 3.296 1.00 0.00 N ATOM 503 CZ ARG A 36 -7.740 -4.446 2.949 1.00 0.00 C ATOM 504 NH1 ARG A 36 -8.279 -3.658 3.871 1.00 0.00 N ATOM 505 NH2 ARG A 36 -7.755 -4.073 1.677 1.00 0.00 N ATOM 0 H ARG A 36 -3.360 -8.865 3.339 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.590 -10.070 4.458 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.745 -7.798 4.979 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.227 -7.242 3.389 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.620 -8.120 4.148 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.946 -7.941 5.756 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -8.060 -5.876 5.178 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.334 -5.572 5.208 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.780 -6.182 2.559 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.269 -3.939 4.851 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -8.703 -2.771 3.599 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.341 -4.674 0.964 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.180 -3.185 1.411 1.00 0.00 H new ATOM 519 N ARG A 37 -6.178 -8.912 1.411 1.00 0.00 N ATOM 520 CA ARG A 37 -7.076 -9.033 0.269 1.00 0.00 C ATOM 521 C ARG A 37 -7.084 -10.460 -0.269 1.00 0.00 C ATOM 522 O ARG A 37 -8.090 -10.928 -0.802 1.00 0.00 O ATOM 523 CB ARG A 37 -6.666 -8.060 -0.838 1.00 0.00 C ATOM 524 CG ARG A 37 -7.578 -8.102 -2.053 1.00 0.00 C ATOM 525 CD ARG A 37 -7.351 -6.905 -2.964 1.00 0.00 C ATOM 526 NE ARG A 37 -7.266 -7.296 -4.370 1.00 0.00 N ATOM 527 CZ ARG A 37 -6.194 -7.862 -4.918 1.00 0.00 C ATOM 528 NH1 ARG A 37 -5.114 -8.103 -4.185 1.00 0.00 N ATOM 529 NH2 ARG A 37 -6.201 -8.186 -6.204 1.00 0.00 N ATOM 0 H ARG A 37 -5.393 -8.277 1.265 1.00 0.00 H new ATOM 0 HA ARG A 37 -8.083 -8.785 0.605 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -6.657 -7.047 -0.435 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.647 -8.287 -1.151 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -7.402 -9.022 -2.610 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -8.618 -8.121 -1.728 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -8.165 -6.191 -2.835 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -6.432 -6.397 -2.673 1.00 0.00 H new ATOM 0 HE ARG A 37 -8.076 -7.125 -4.966 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -5.103 -7.854 -3.196 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -4.295 -8.537 -4.611 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -7.028 -8.001 -6.772 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -5.380 -8.620 -6.625 1.00 0.00 H new ATOM 543 N GLN A 38 -5.955 -11.148 -0.126 1.00 0.00 N ATOM 544 CA GLN A 38 -5.832 -12.521 -0.598 1.00 0.00 C ATOM 545 C GLN A 38 -6.555 -13.484 0.338 1.00 0.00 C ATOM 546 O GLN A 38 -7.150 -14.467 -0.105 1.00 0.00 O ATOM 547 CB GLN A 38 -4.358 -12.914 -0.714 1.00 0.00 C ATOM 548 CG GLN A 38 -3.682 -12.378 -1.966 1.00 0.00 C ATOM 549 CD GLN A 38 -3.208 -13.480 -2.893 1.00 0.00 C ATOM 550 OE1 GLN A 38 -2.088 -13.976 -2.764 1.00 0.00 O ATOM 551 NE2 GLN A 38 -4.060 -13.872 -3.833 1.00 0.00 N ATOM 0 H GLN A 38 -5.113 -10.776 0.313 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.295 -12.583 -1.583 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.823 -12.548 0.163 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.279 -14.001 -0.705 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.378 -11.733 -2.502 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.831 -11.760 -1.678 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.978 -13.434 -3.904 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.796 -14.612 -4.484 1.00 0.00 H new ATOM 560 N LEU A 39 -6.500 -13.194 1.634 1.00 0.00 N ATOM 561 CA LEU A 39 -7.150 -14.034 2.634 1.00 0.00 C ATOM 562 C LEU A 39 -8.660 -13.818 2.628 1.00 0.00 C ATOM 563 O LEU A 39 -9.428 -14.733 2.925 1.00 0.00 O ATOM 564 CB LEU A 39 -6.586 -13.737 4.024 1.00 0.00 C ATOM 565 CG LEU A 39 -5.249 -14.409 4.340 1.00 0.00 C ATOM 566 CD1 LEU A 39 -4.791 -14.052 5.745 1.00 0.00 C ATOM 567 CD2 LEU A 39 -5.362 -15.918 4.181 1.00 0.00 C ATOM 0 H LEU A 39 -6.012 -12.384 2.016 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.949 -15.076 2.383 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.466 -12.659 4.127 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.317 -14.049 4.770 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.504 -14.043 3.634 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.838 -14.539 5.952 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.671 -12.972 5.825 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.535 -14.389 6.467 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.402 -16.381 4.410 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.121 -16.300 4.864 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.644 -16.156 3.155 1.00 0.00 H new ATOM 579 N GLN A 40 -9.079 -12.604 2.288 1.00 0.00 N ATOM 580 CA GLN A 40 -10.498 -12.270 2.243 1.00 0.00 C ATOM 581 C GLN A 40 -11.216 -13.089 1.175 1.00 0.00 C ATOM 582 O GLN A 40 -12.337 -13.553 1.384 1.00 0.00 O ATOM 583 CB GLN A 40 -10.683 -10.775 1.973 1.00 0.00 C ATOM 584 CG GLN A 40 -11.574 -10.079 2.990 1.00 0.00 C ATOM 585 CD GLN A 40 -11.488 -8.568 2.903 1.00 0.00 C ATOM 586 OE1 GLN A 40 -12.283 -7.928 2.216 1.00 0.00 O ATOM 587 NE2 GLN A 40 -10.518 -7.989 3.603 1.00 0.00 N ATOM 0 H GLN A 40 -8.457 -11.835 2.040 1.00 0.00 H new ATOM 0 HA GLN A 40 -10.935 -12.512 3.212 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -9.706 -10.292 1.967 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.110 -10.644 0.979 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.607 -10.390 2.835 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -11.292 -10.398 3.993 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -9.881 -8.559 4.159 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -10.411 -6.975 3.584 1.00 0.00 H new ATOM 596 N GLU A 41 -10.562 -13.262 0.031 1.00 0.00 N ATOM 597 CA GLU A 41 -11.137 -14.025 -1.071 1.00 0.00 C ATOM 598 C GLU A 41 -11.142 -15.517 -0.754 1.00 0.00 C ATOM 599 O GLU A 41 -12.130 -16.210 -0.995 1.00 0.00 O ATOM 600 CB GLU A 41 -10.354 -13.769 -2.360 1.00 0.00 C ATOM 601 CG GLU A 41 -10.485 -12.347 -2.878 1.00 0.00 C ATOM 602 CD GLU A 41 -10.300 -12.254 -4.380 1.00 0.00 C ATOM 603 OE1 GLU A 41 -11.226 -12.651 -5.118 1.00 0.00 O ATOM 604 OE2 GLU A 41 -9.229 -11.785 -4.819 1.00 0.00 O ATOM 0 H GLU A 41 -9.633 -12.884 -0.157 1.00 0.00 H new ATOM 0 HA GLU A 41 -12.167 -13.697 -1.209 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -9.301 -13.988 -2.185 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.700 -14.460 -3.129 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -11.467 -11.956 -2.612 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -9.746 -11.715 -2.385 1.00 0.00 H new ATOM 611 N GLU A 42 -10.030 -16.004 -0.213 1.00 0.00 N ATOM 612 CA GLU A 42 -9.904 -17.414 0.136 1.00 0.00 C ATOM 613 C GLU A 42 -10.740 -17.747 1.368 1.00 0.00 C ATOM 614 O GLU A 42 -11.248 -18.860 1.502 1.00 0.00 O ATOM 615 CB GLU A 42 -8.436 -17.767 0.390 1.00 0.00 C ATOM 616 CG GLU A 42 -7.547 -17.587 -0.829 1.00 0.00 C ATOM 617 CD GLU A 42 -6.076 -17.776 -0.510 1.00 0.00 C ATOM 618 OE1 GLU A 42 -5.764 -18.556 0.413 1.00 0.00 O ATOM 619 OE2 GLU A 42 -5.237 -17.143 -1.186 1.00 0.00 O ATOM 0 H GLU A 42 -9.203 -15.443 -0.007 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.274 -18.005 -0.702 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.057 -17.145 1.201 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.373 -18.802 0.726 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.843 -18.300 -1.599 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.700 -16.590 -1.242 1.00 0.00 H new ATOM 626 N ARG A 43 -10.877 -16.775 2.264 1.00 0.00 N ATOM 627 CA ARG A 43 -11.651 -16.966 3.485 1.00 0.00 C ATOM 628 C ARG A 43 -12.667 -15.841 3.667 1.00 0.00 C ATOM 629 O ARG A 43 -12.431 -14.895 4.418 1.00 0.00 O ATOM 630 CB ARG A 43 -10.721 -17.031 4.698 1.00 0.00 C ATOM 631 CG ARG A 43 -9.770 -18.216 4.671 1.00 0.00 C ATOM 632 CD ARG A 43 -10.371 -19.430 5.362 1.00 0.00 C ATOM 633 NE ARG A 43 -10.075 -20.669 4.648 1.00 0.00 N ATOM 634 CZ ARG A 43 -8.878 -21.253 4.642 1.00 0.00 C ATOM 635 NH1 ARG A 43 -7.867 -20.716 5.311 1.00 0.00 N ATOM 636 NH2 ARG A 43 -8.694 -22.380 3.967 1.00 0.00 N ATOM 0 H ARG A 43 -10.463 -15.848 2.168 1.00 0.00 H new ATOM 0 HA ARG A 43 -12.192 -17.909 3.400 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -10.140 -16.110 4.750 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -11.323 -17.079 5.605 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -9.529 -18.467 3.638 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -8.834 -17.944 5.160 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -9.984 -19.497 6.379 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -11.451 -19.305 5.439 1.00 0.00 H new ATOM 0 HE ARG A 43 -10.829 -21.113 4.123 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -8.004 -19.851 5.834 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -6.953 -21.168 5.303 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -9.469 -22.799 3.453 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -7.778 -22.828 3.962 1.00 0.00 H new ATOM 650 N PRO A 44 -13.817 -15.930 2.976 1.00 0.00 N ATOM 651 CA PRO A 44 -14.873 -14.915 3.062 1.00 0.00 C ATOM 652 C PRO A 44 -15.580 -14.916 4.416 1.00 0.00 C ATOM 653 O PRO A 44 -16.361 -14.013 4.715 1.00 0.00 O ATOM 654 CB PRO A 44 -15.845 -15.319 1.952 1.00 0.00 C ATOM 655 CG PRO A 44 -15.634 -16.783 1.779 1.00 0.00 C ATOM 656 CD PRO A 44 -14.177 -17.026 2.056 1.00 0.00 C ATOM 0 HA PRO A 44 -14.474 -13.906 2.954 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -16.876 -15.097 2.228 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -15.639 -14.777 1.029 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -16.262 -17.352 2.465 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -15.897 -17.099 0.770 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -14.012 -18.003 2.510 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.584 -16.995 1.142 1.00 0.00 H new ATOM 664 N GLU A 45 -15.304 -15.930 5.231 1.00 0.00 N ATOM 665 CA GLU A 45 -15.919 -16.038 6.549 1.00 0.00 C ATOM 666 C GLU A 45 -15.236 -15.106 7.543 1.00 0.00 C ATOM 667 O GLU A 45 -15.866 -14.609 8.477 1.00 0.00 O ATOM 668 CB GLU A 45 -15.847 -17.481 7.052 1.00 0.00 C ATOM 669 CG GLU A 45 -14.427 -17.996 7.225 1.00 0.00 C ATOM 670 CD GLU A 45 -14.300 -19.472 6.907 1.00 0.00 C ATOM 671 OE1 GLU A 45 -14.282 -19.823 5.709 1.00 0.00 O ATOM 672 OE2 GLU A 45 -14.217 -20.280 7.858 1.00 0.00 O ATOM 0 H GLU A 45 -14.660 -16.687 5.002 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.965 -15.744 6.461 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -16.368 -17.550 8.007 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -16.376 -18.128 6.352 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -13.758 -17.430 6.577 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -14.103 -17.820 8.251 1.00 0.00 H new ATOM 679 N LEU A 46 -13.944 -14.874 7.337 1.00 0.00 N ATOM 680 CA LEU A 46 -13.174 -14.002 8.214 1.00 0.00 C ATOM 681 C LEU A 46 -13.290 -12.547 7.775 1.00 0.00 C ATOM 682 O LEU A 46 -13.445 -12.257 6.588 1.00 0.00 O ATOM 683 CB LEU A 46 -11.704 -14.427 8.225 1.00 0.00 C ATOM 684 CG LEU A 46 -11.459 -15.906 8.524 1.00 0.00 C ATOM 685 CD1 LEU A 46 -10.052 -16.308 8.111 1.00 0.00 C ATOM 686 CD2 LEU A 46 -11.687 -16.196 10.000 1.00 0.00 C ATOM 0 H LEU A 46 -13.408 -15.279 6.569 1.00 0.00 H new ATOM 0 HA LEU A 46 -13.580 -14.091 9.222 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -11.266 -14.191 7.255 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -11.175 -13.830 8.967 1.00 0.00 H new ATOM 0 HG LEU A 46 -12.168 -16.497 7.944 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.896 -17.364 8.331 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.924 -16.138 7.042 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.326 -15.711 8.663 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -11.508 -17.253 10.195 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -11.002 -15.596 10.599 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -12.714 -15.947 10.265 1.00 0.00 H new ATOM 698 N SER A 47 -13.213 -11.635 8.738 1.00 0.00 N ATOM 699 CA SER A 47 -13.309 -10.209 8.450 1.00 0.00 C ATOM 700 C SER A 47 -11.942 -9.540 8.556 1.00 0.00 C ATOM 701 O SER A 47 -10.956 -10.180 8.922 1.00 0.00 O ATOM 702 CB SER A 47 -14.295 -9.538 9.409 1.00 0.00 C ATOM 703 OG SER A 47 -15.607 -10.042 9.227 1.00 0.00 O ATOM 0 H SER A 47 -13.084 -11.858 9.725 1.00 0.00 H new ATOM 0 HA SER A 47 -13.672 -10.093 7.429 1.00 0.00 H new ATOM 0 HB2 SER A 47 -13.977 -9.706 10.438 1.00 0.00 H new ATOM 0 HB3 SER A 47 -14.290 -8.460 9.245 1.00 0.00 H new ATOM 0 HG SER A 47 -16.217 -9.599 9.852 1.00 0.00 H new ATOM 709 N GLU A 48 -11.892 -8.251 8.236 1.00 0.00 N ATOM 710 CA GLU A 48 -10.645 -7.497 8.296 1.00 0.00 C ATOM 711 C GLU A 48 -10.051 -7.535 9.701 1.00 0.00 C ATOM 712 O GLU A 48 -8.831 -7.547 9.869 1.00 0.00 O ATOM 713 CB GLU A 48 -10.881 -6.047 7.870 1.00 0.00 C ATOM 714 CG GLU A 48 -11.557 -5.913 6.515 1.00 0.00 C ATOM 715 CD GLU A 48 -12.640 -4.851 6.506 1.00 0.00 C ATOM 716 OE1 GLU A 48 -12.301 -3.657 6.640 1.00 0.00 O ATOM 717 OE2 GLU A 48 -13.825 -5.215 6.364 1.00 0.00 O ATOM 0 H GLU A 48 -12.700 -7.707 7.933 1.00 0.00 H new ATOM 0 HA GLU A 48 -9.937 -7.961 7.609 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -11.494 -5.551 8.623 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.925 -5.525 7.843 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.808 -5.669 5.762 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.991 -6.872 6.233 1.00 0.00 H new ATOM 724 N SER A 49 -10.921 -7.554 10.705 1.00 0.00 N ATOM 725 CA SER A 49 -10.482 -7.591 12.095 1.00 0.00 C ATOM 726 C SER A 49 -9.911 -8.961 12.450 1.00 0.00 C ATOM 727 O SER A 49 -9.016 -9.072 13.286 1.00 0.00 O ATOM 728 CB SER A 49 -11.646 -7.254 13.029 1.00 0.00 C ATOM 729 OG SER A 49 -11.208 -6.481 14.133 1.00 0.00 O ATOM 0 H SER A 49 -11.934 -7.544 10.582 1.00 0.00 H new ATOM 0 HA SER A 49 -9.696 -6.846 12.221 1.00 0.00 H new ATOM 0 HB2 SER A 49 -12.411 -6.706 12.479 1.00 0.00 H new ATOM 0 HB3 SER A 49 -12.108 -8.174 13.386 1.00 0.00 H new ATOM 0 HG SER A 49 -11.971 -6.278 14.713 1.00 0.00 H new ATOM 735 N GLU A 50 -10.437 -9.999 11.809 1.00 0.00 N ATOM 736 CA GLU A 50 -9.980 -11.361 12.058 1.00 0.00 C ATOM 737 C GLU A 50 -8.711 -11.664 11.267 1.00 0.00 C ATOM 738 O GLU A 50 -7.858 -12.431 11.713 1.00 0.00 O ATOM 739 CB GLU A 50 -11.074 -12.365 11.692 1.00 0.00 C ATOM 740 CG GLU A 50 -12.438 -12.014 12.266 1.00 0.00 C ATOM 741 CD GLU A 50 -12.607 -12.489 13.695 1.00 0.00 C ATOM 742 OE1 GLU A 50 -11.582 -12.686 14.382 1.00 0.00 O ATOM 743 OE2 GLU A 50 -13.766 -12.665 14.129 1.00 0.00 O ATOM 0 H GLU A 50 -11.179 -9.923 11.114 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.755 -11.451 13.121 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -11.151 -12.427 10.606 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.783 -13.353 12.048 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.578 -10.934 12.227 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -13.215 -12.459 11.645 1.00 0.00 H new ATOM 750 N LEU A 51 -8.594 -11.055 10.091 1.00 0.00 N ATOM 751 CA LEU A 51 -7.430 -11.260 9.238 1.00 0.00 C ATOM 752 C LEU A 51 -6.167 -10.718 9.900 1.00 0.00 C ATOM 753 O LEU A 51 -5.086 -11.291 9.761 1.00 0.00 O ATOM 754 CB LEU A 51 -7.639 -10.581 7.882 1.00 0.00 C ATOM 755 CG LEU A 51 -8.693 -11.233 6.987 1.00 0.00 C ATOM 756 CD1 LEU A 51 -8.958 -10.372 5.762 1.00 0.00 C ATOM 757 CD2 LEU A 51 -8.251 -12.628 6.573 1.00 0.00 C ATOM 0 H LEU A 51 -9.291 -10.416 9.708 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.308 -12.332 9.086 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.922 -9.542 8.053 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.689 -10.569 7.349 1.00 0.00 H new ATOM 0 HG LEU A 51 -9.620 -11.320 7.554 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.711 -10.851 5.136 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.318 -9.392 6.077 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.035 -10.254 5.194 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.013 -13.077 5.936 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.311 -12.564 6.024 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.111 -13.244 7.461 1.00 0.00 H new ATOM 769 N THR A 52 -6.310 -9.610 10.619 1.00 0.00 N ATOM 770 CA THR A 52 -5.181 -8.989 11.302 1.00 0.00 C ATOM 771 C THR A 52 -4.506 -9.972 12.255 1.00 0.00 C ATOM 772 O THR A 52 -3.309 -9.872 12.520 1.00 0.00 O ATOM 773 CB THR A 52 -5.644 -7.751 12.073 1.00 0.00 C ATOM 774 OG1 THR A 52 -6.815 -7.207 11.492 1.00 0.00 O ATOM 775 CG2 THR A 52 -4.602 -6.654 12.124 1.00 0.00 C ATOM 0 H THR A 52 -7.198 -9.123 10.744 1.00 0.00 H new ATOM 0 HA THR A 52 -4.454 -8.690 10.546 1.00 0.00 H new ATOM 0 HB THR A 52 -5.833 -8.097 13.089 1.00 0.00 H new ATOM 0 HG1 THR A 52 -7.096 -6.418 12.000 1.00 0.00 H new ATOM 0 HG21 THR A 52 -4.994 -5.806 12.685 1.00 0.00 H new ATOM 0 HG22 THR A 52 -3.703 -7.029 12.614 1.00 0.00 H new ATOM 0 HG23 THR A 52 -4.358 -6.337 11.110 1.00 0.00 H new ATOM 783 N ARG A 53 -5.284 -10.922 12.767 1.00 0.00 N ATOM 784 CA ARG A 53 -4.758 -11.922 13.691 1.00 0.00 C ATOM 785 C ARG A 53 -4.117 -13.081 12.934 1.00 0.00 C ATOM 786 O ARG A 53 -3.094 -13.620 13.356 1.00 0.00 O ATOM 787 CB ARG A 53 -5.874 -12.445 14.597 1.00 0.00 C ATOM 788 CG ARG A 53 -6.736 -11.345 15.197 1.00 0.00 C ATOM 789 CD ARG A 53 -6.094 -10.748 16.440 1.00 0.00 C ATOM 790 NE ARG A 53 -6.021 -9.290 16.372 1.00 0.00 N ATOM 791 CZ ARG A 53 -5.828 -8.507 17.430 1.00 0.00 C ATOM 792 NH1 ARG A 53 -5.688 -9.035 18.639 1.00 0.00 N ATOM 793 NH2 ARG A 53 -5.774 -7.191 17.280 1.00 0.00 N ATOM 0 H ARG A 53 -6.278 -11.020 12.558 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.993 -11.446 14.304 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.509 -13.121 14.024 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.432 -13.030 15.404 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -6.895 -10.561 14.456 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.717 -11.748 15.451 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.666 -11.042 17.320 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -5.091 -11.156 16.561 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.124 -8.846 15.459 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.728 -10.047 18.761 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.540 -8.429 19.446 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -5.880 -6.779 16.353 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.626 -6.591 18.091 1.00 0.00 H new ATOM 807 N LEU A 54 -4.725 -13.460 11.814 1.00 0.00 N ATOM 808 CA LEU A 54 -4.213 -14.556 11.000 1.00 0.00 C ATOM 809 C LEU A 54 -3.009 -14.108 10.179 1.00 0.00 C ATOM 810 O LEU A 54 -2.105 -14.898 9.902 1.00 0.00 O ATOM 811 CB LEU A 54 -5.310 -15.085 10.072 1.00 0.00 C ATOM 812 CG LEU A 54 -5.005 -16.431 9.412 1.00 0.00 C ATOM 813 CD1 LEU A 54 -5.472 -17.577 10.297 1.00 0.00 C ATOM 814 CD2 LEU A 54 -5.660 -16.513 8.042 1.00 0.00 C ATOM 0 H LEU A 54 -5.572 -13.024 11.450 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.896 -15.355 11.670 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.234 -15.178 10.643 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.491 -14.347 9.291 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.926 -16.515 9.283 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.247 -18.527 9.812 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.957 -17.529 11.256 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.547 -17.498 10.458 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.433 -17.477 7.587 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.740 -16.408 8.148 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.278 -15.713 7.408 1.00 0.00 H new ATOM 826 N LEU A 55 -3.002 -12.838 9.791 1.00 0.00 N ATOM 827 CA LEU A 55 -1.909 -12.284 9.000 1.00 0.00 C ATOM 828 C LEU A 55 -0.604 -12.301 9.790 1.00 0.00 C ATOM 829 O LEU A 55 0.450 -12.650 9.258 1.00 0.00 O ATOM 830 CB LEU A 55 -2.238 -10.855 8.566 1.00 0.00 C ATOM 831 CG LEU A 55 -3.372 -10.733 7.548 1.00 0.00 C ATOM 832 CD1 LEU A 55 -4.038 -9.369 7.652 1.00 0.00 C ATOM 833 CD2 LEU A 55 -2.851 -10.968 6.139 1.00 0.00 C ATOM 0 H LEU A 55 -3.742 -12.171 10.012 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.784 -12.905 8.113 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.500 -10.274 9.450 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.340 -10.404 8.143 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.118 -11.496 7.770 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.843 -9.300 6.920 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.447 -9.239 8.654 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.302 -8.589 7.457 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.672 -10.877 5.428 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.085 -10.228 5.906 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.422 -11.968 6.072 1.00 0.00 H new ATOM 845 N ALA A 56 -0.683 -11.924 11.062 1.00 0.00 N ATOM 846 CA ALA A 56 0.491 -11.897 11.924 1.00 0.00 C ATOM 847 C ALA A 56 1.060 -13.298 12.123 1.00 0.00 C ATOM 848 O ALA A 56 2.266 -13.468 12.303 1.00 0.00 O ATOM 849 CB ALA A 56 0.145 -11.271 13.266 1.00 0.00 C ATOM 0 H ALA A 56 -1.548 -11.633 11.518 1.00 0.00 H new ATOM 0 HA ALA A 56 1.254 -11.290 11.437 1.00 0.00 H new ATOM 0 HB1 ALA A 56 1.031 -11.257 13.900 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.207 -10.251 13.112 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.638 -11.856 13.749 1.00 0.00 H new ATOM 855 N ARG A 57 0.185 -14.297 12.090 1.00 0.00 N ATOM 856 CA ARG A 57 0.599 -15.684 12.267 1.00 0.00 C ATOM 857 C ARG A 57 1.337 -16.193 11.033 1.00 0.00 C ATOM 858 O ARG A 57 2.366 -16.862 11.145 1.00 0.00 O ATOM 859 CB ARG A 57 -0.616 -16.570 12.549 1.00 0.00 C ATOM 860 CG ARG A 57 -0.264 -17.890 13.216 1.00 0.00 C ATOM 861 CD ARG A 57 -1.502 -18.739 13.461 1.00 0.00 C ATOM 862 NE ARG A 57 -1.508 -19.322 14.801 1.00 0.00 N ATOM 863 CZ ARG A 57 -2.599 -19.798 15.398 1.00 0.00 C ATOM 864 NH1 ARG A 57 -3.772 -19.763 14.777 1.00 0.00 N ATOM 865 NH2 ARG A 57 -2.516 -20.310 16.617 1.00 0.00 N ATOM 0 H ARG A 57 -0.816 -14.172 11.942 1.00 0.00 H new ATOM 0 HA ARG A 57 1.278 -15.728 13.119 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -1.313 -16.025 13.186 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -1.133 -16.773 11.611 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.437 -18.440 12.589 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.239 -17.697 14.163 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -2.394 -18.127 13.328 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -1.548 -19.536 12.719 1.00 0.00 H new ATOM 0 HE ARG A 57 -0.625 -19.367 15.309 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -3.841 -19.370 13.838 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -4.605 -20.129 15.239 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -1.617 -20.339 17.098 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -3.351 -20.675 17.075 1.00 0.00 H new ATOM 879 N MET A 58 0.806 -15.875 9.857 1.00 0.00 N ATOM 880 CA MET A 58 1.415 -16.302 8.603 1.00 0.00 C ATOM 881 C MET A 58 2.817 -15.718 8.454 1.00 0.00 C ATOM 882 O MET A 58 3.707 -16.354 7.891 1.00 0.00 O ATOM 883 CB MET A 58 0.544 -15.878 7.419 1.00 0.00 C ATOM 884 CG MET A 58 -0.689 -16.745 7.230 1.00 0.00 C ATOM 885 SD MET A 58 -1.276 -16.755 5.524 1.00 0.00 S ATOM 886 CE MET A 58 -1.463 -15.000 5.221 1.00 0.00 C ATOM 0 H MET A 58 -0.045 -15.323 9.746 1.00 0.00 H new ATOM 0 HA MET A 58 1.493 -17.389 8.616 1.00 0.00 H new ATOM 0 HB2 MET A 58 0.232 -14.843 7.560 1.00 0.00 H new ATOM 0 HB3 MET A 58 1.143 -15.909 6.509 1.00 0.00 H new ATOM 0 HG2 MET A 58 -0.462 -17.766 7.538 1.00 0.00 H new ATOM 0 HG3 MET A 58 -1.485 -16.385 7.882 1.00 0.00 H new ATOM 0 HE1 MET A 58 -2.330 -14.831 4.583 1.00 0.00 H new ATOM 0 HE2 MET A 58 -1.603 -14.480 6.169 1.00 0.00 H new ATOM 0 HE3 MET A 58 -0.569 -14.619 4.727 1.00 0.00 H new ATOM 896 N TRP A 59 3.004 -14.504 8.960 1.00 0.00 N ATOM 897 CA TRP A 59 4.297 -13.834 8.882 1.00 0.00 C ATOM 898 C TRP A 59 5.374 -14.645 9.597 1.00 0.00 C ATOM 899 O TRP A 59 6.493 -14.782 9.100 1.00 0.00 O ATOM 900 CB TRP A 59 4.209 -12.434 9.492 1.00 0.00 C ATOM 901 CG TRP A 59 5.475 -11.644 9.353 1.00 0.00 C ATOM 902 CD1 TRP A 59 6.301 -11.236 10.361 1.00 0.00 C ATOM 903 CD2 TRP A 59 6.058 -11.167 8.135 1.00 0.00 C ATOM 904 NE1 TRP A 59 7.363 -10.533 9.844 1.00 0.00 N ATOM 905 CE2 TRP A 59 7.237 -10.478 8.481 1.00 0.00 C ATOM 906 CE3 TRP A 59 5.699 -11.256 6.788 1.00 0.00 C ATOM 907 CZ2 TRP A 59 8.057 -9.882 7.526 1.00 0.00 C ATOM 908 CZ3 TRP A 59 6.515 -10.664 5.842 1.00 0.00 C ATOM 909 CH2 TRP A 59 7.682 -9.984 6.215 1.00 0.00 C ATOM 0 H TRP A 59 2.277 -13.964 9.429 1.00 0.00 H new ATOM 0 HA TRP A 59 4.569 -13.748 7.830 1.00 0.00 H new ATOM 0 HB2 TRP A 59 3.395 -11.888 9.015 1.00 0.00 H new ATOM 0 HB3 TRP A 59 3.958 -12.521 10.549 1.00 0.00 H new ATOM 0 HD1 TRP A 59 6.143 -11.436 11.410 1.00 0.00 H new ATOM 0 HE1 TRP A 59 8.121 -10.120 10.387 1.00 0.00 H new ATOM 0 HE3 TRP A 59 4.801 -11.777 6.491 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 8.957 -9.358 7.811 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 6.248 -10.727 4.797 1.00 0.00 H new ATOM 0 HH2 TRP A 59 8.298 -9.531 5.452 1.00 0.00 H new ATOM 920 N ASN A 60 5.030 -15.180 10.763 1.00 0.00 N ATOM 921 CA ASN A 60 5.968 -15.977 11.545 1.00 0.00 C ATOM 922 C ASN A 60 6.330 -17.265 10.814 1.00 0.00 C ATOM 923 O ASN A 60 7.442 -17.778 10.953 1.00 0.00 O ATOM 924 CB ASN A 60 5.371 -16.306 12.915 1.00 0.00 C ATOM 925 CG ASN A 60 5.146 -15.067 13.760 1.00 0.00 C ATOM 926 OD1 ASN A 60 6.078 -14.313 14.038 1.00 0.00 O ATOM 927 ND2 ASN A 60 3.902 -14.849 14.172 1.00 0.00 N ATOM 0 H ASN A 60 4.108 -15.076 11.188 1.00 0.00 H new ATOM 0 HA ASN A 60 6.877 -15.391 11.682 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.423 -16.827 12.780 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.037 -16.988 13.444 1.00 0.00 H new ATOM 0 HD21 ASN A 60 3.690 -14.030 14.742 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.159 -15.500 13.918 1.00 0.00 H new ATOM 934 N ASP A 61 5.387 -17.784 10.036 1.00 0.00 N ATOM 935 CA ASP A 61 5.608 -19.013 9.281 1.00 0.00 C ATOM 936 C ASP A 61 6.610 -18.787 8.154 1.00 0.00 C ATOM 937 O ASP A 61 7.358 -19.693 7.786 1.00 0.00 O ATOM 938 CB ASP A 61 4.285 -19.530 8.711 1.00 0.00 C ATOM 939 CG ASP A 61 4.171 -21.039 8.790 1.00 0.00 C ATOM 940 OD1 ASP A 61 5.044 -21.731 8.224 1.00 0.00 O ATOM 941 OD2 ASP A 61 3.209 -21.530 9.416 1.00 0.00 O ATOM 0 H ASP A 61 4.462 -17.373 9.911 1.00 0.00 H new ATOM 0 HA ASP A 61 6.018 -19.760 9.961 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.456 -19.077 9.255 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.193 -19.216 7.671 1.00 0.00 H new ATOM 946 N LEU A 62 6.620 -17.575 7.611 1.00 0.00 N ATOM 947 CA LEU A 62 7.531 -17.231 6.525 1.00 0.00 C ATOM 948 C LEU A 62 8.984 -17.388 6.962 1.00 0.00 C ATOM 949 O LEU A 62 9.269 -17.594 8.142 1.00 0.00 O ATOM 950 CB LEU A 62 7.279 -15.796 6.056 1.00 0.00 C ATOM 951 CG LEU A 62 5.952 -15.575 5.329 1.00 0.00 C ATOM 952 CD1 LEU A 62 5.840 -14.138 4.846 1.00 0.00 C ATOM 953 CD2 LEU A 62 5.815 -16.544 4.164 1.00 0.00 C ATOM 0 H LEU A 62 6.008 -16.814 7.905 1.00 0.00 H new ATOM 0 HA LEU A 62 7.344 -17.915 5.697 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.315 -15.135 6.922 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.092 -15.498 5.394 1.00 0.00 H new ATOM 0 HG LEU A 62 5.140 -15.764 6.031 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.889 -14.000 4.331 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.892 -13.462 5.700 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.659 -13.920 4.160 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.865 -16.373 3.658 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.634 -16.387 3.462 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.848 -17.568 4.537 1.00 0.00 H new ATOM 965 N SER A 63 9.900 -17.290 6.004 1.00 0.00 N ATOM 966 CA SER A 63 11.323 -17.422 6.289 1.00 0.00 C ATOM 967 C SER A 63 12.075 -16.152 5.904 1.00 0.00 C ATOM 968 O SER A 63 11.504 -15.237 5.309 1.00 0.00 O ATOM 969 CB SER A 63 11.906 -18.620 5.538 1.00 0.00 C ATOM 970 OG SER A 63 11.044 -19.742 5.621 1.00 0.00 O ATOM 0 H SER A 63 9.681 -17.119 5.022 1.00 0.00 H new ATOM 0 HA SER A 63 11.440 -17.582 7.361 1.00 0.00 H new ATOM 0 HB2 SER A 63 12.065 -18.356 4.492 1.00 0.00 H new ATOM 0 HB3 SER A 63 12.881 -18.875 5.954 1.00 0.00 H new ATOM 0 HG SER A 63 11.438 -20.494 5.132 1.00 0.00 H new ATOM 976 N GLU A 64 13.359 -16.101 6.247 1.00 0.00 N ATOM 977 CA GLU A 64 14.187 -14.942 5.938 1.00 0.00 C ATOM 978 C GLU A 64 14.251 -14.703 4.432 1.00 0.00 C ATOM 979 O GLU A 64 14.333 -13.563 3.978 1.00 0.00 O ATOM 980 CB GLU A 64 15.598 -15.134 6.498 1.00 0.00 C ATOM 981 CG GLU A 64 16.396 -13.843 6.591 1.00 0.00 C ATOM 982 CD GLU A 64 17.765 -13.955 5.949 1.00 0.00 C ATOM 983 OE1 GLU A 64 17.862 -14.551 4.856 1.00 0.00 O ATOM 984 OE2 GLU A 64 18.741 -13.447 6.540 1.00 0.00 O ATOM 0 H GLU A 64 13.848 -16.849 6.739 1.00 0.00 H new ATOM 0 HA GLU A 64 13.734 -14.068 6.406 1.00 0.00 H new ATOM 0 HB2 GLU A 64 15.529 -15.581 7.490 1.00 0.00 H new ATOM 0 HB3 GLU A 64 16.137 -15.840 5.867 1.00 0.00 H new ATOM 0 HG2 GLU A 64 15.838 -13.040 6.110 1.00 0.00 H new ATOM 0 HG3 GLU A 64 16.512 -13.567 7.639 1.00 0.00 H new ATOM 991 N LYS A 65 14.215 -15.787 3.663 1.00 0.00 N ATOM 992 CA LYS A 65 14.271 -15.694 2.208 1.00 0.00 C ATOM 993 C LYS A 65 12.988 -15.081 1.653 1.00 0.00 C ATOM 994 O LYS A 65 13.031 -14.131 0.873 1.00 0.00 O ATOM 995 CB LYS A 65 14.499 -17.076 1.594 1.00 0.00 C ATOM 996 CG LYS A 65 15.965 -17.395 1.347 1.00 0.00 C ATOM 997 CD LYS A 65 16.281 -18.852 1.648 1.00 0.00 C ATOM 998 CE LYS A 65 17.519 -18.986 2.521 1.00 0.00 C ATOM 999 NZ LYS A 65 18.734 -19.295 1.719 1.00 0.00 N ATOM 0 H LYS A 65 14.147 -16.739 4.023 1.00 0.00 H new ATOM 0 HA LYS A 65 15.106 -15.046 1.942 1.00 0.00 H new ATOM 0 HB2 LYS A 65 14.077 -17.833 2.255 1.00 0.00 H new ATOM 0 HB3 LYS A 65 13.957 -17.139 0.650 1.00 0.00 H new ATOM 0 HG2 LYS A 65 16.216 -17.175 0.309 1.00 0.00 H new ATOM 0 HG3 LYS A 65 16.587 -16.751 1.969 1.00 0.00 H new ATOM 0 HD2 LYS A 65 15.430 -19.314 2.149 1.00 0.00 H new ATOM 0 HD3 LYS A 65 16.433 -19.393 0.714 1.00 0.00 H new ATOM 0 HE2 LYS A 65 17.675 -18.060 3.074 1.00 0.00 H new ATOM 0 HE3 LYS A 65 17.360 -19.774 3.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 19.555 -19.378 2.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 18.596 -20.192 1.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 18.901 -18.531 1.033 1.00 0.00 H new ATOM 1013 N LYS A 66 11.849 -15.631 2.060 1.00 0.00 N ATOM 1014 CA LYS A 66 10.556 -15.137 1.603 1.00 0.00 C ATOM 1015 C LYS A 66 10.280 -13.744 2.160 1.00 0.00 C ATOM 1016 O LYS A 66 9.685 -12.902 1.486 1.00 0.00 O ATOM 1017 CB LYS A 66 9.441 -16.097 2.023 1.00 0.00 C ATOM 1018 CG LYS A 66 9.295 -17.300 1.104 1.00 0.00 C ATOM 1019 CD LYS A 66 8.257 -18.281 1.628 1.00 0.00 C ATOM 1020 CE LYS A 66 8.870 -19.642 1.916 1.00 0.00 C ATOM 1021 NZ LYS A 66 7.836 -20.652 2.275 1.00 0.00 N ATOM 0 H LYS A 66 11.795 -16.419 2.705 1.00 0.00 H new ATOM 0 HA LYS A 66 10.582 -15.076 0.515 1.00 0.00 H new ATOM 0 HB2 LYS A 66 9.637 -16.446 3.037 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.496 -15.554 2.050 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.009 -16.965 0.107 1.00 0.00 H new ATOM 0 HG3 LYS A 66 10.257 -17.804 1.007 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.807 -17.884 2.538 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.456 -18.389 0.897 1.00 0.00 H new ATOM 0 HE2 LYS A 66 9.423 -19.984 1.041 1.00 0.00 H new ATOM 0 HE3 LYS A 66 9.588 -19.552 2.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.294 -21.566 2.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.325 -20.339 3.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.165 -20.757 1.487 1.00 0.00 H new ATOM 1035 N LYS A 67 10.716 -13.509 3.393 1.00 0.00 N ATOM 1036 CA LYS A 67 10.516 -12.218 4.042 1.00 0.00 C ATOM 1037 C LYS A 67 11.262 -11.114 3.300 1.00 0.00 C ATOM 1038 O LYS A 67 10.846 -9.954 3.310 1.00 0.00 O ATOM 1039 CB LYS A 67 10.984 -12.280 5.497 1.00 0.00 C ATOM 1040 CG LYS A 67 9.880 -12.645 6.477 1.00 0.00 C ATOM 1041 CD LYS A 67 10.304 -13.770 7.407 1.00 0.00 C ATOM 1042 CE LYS A 67 9.594 -13.682 8.748 1.00 0.00 C ATOM 1043 NZ LYS A 67 10.383 -14.319 9.838 1.00 0.00 N ATOM 0 H LYS A 67 11.210 -14.195 3.963 1.00 0.00 H new ATOM 0 HA LYS A 67 9.451 -11.988 4.019 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.788 -13.011 5.580 1.00 0.00 H new ATOM 0 HB3 LYS A 67 11.402 -11.313 5.777 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.611 -11.768 7.066 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.989 -12.945 5.926 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.085 -14.731 6.941 1.00 0.00 H new ATOM 0 HD3 LYS A 67 11.382 -13.729 7.562 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.413 -12.636 8.995 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.620 -14.165 8.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 9.864 -14.237 10.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.534 -15.324 9.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.303 -13.842 9.925 1.00 0.00 H new ATOM 1057 N ALA A 68 12.367 -11.479 2.658 1.00 0.00 N ATOM 1058 CA ALA A 68 13.172 -10.519 1.911 1.00 0.00 C ATOM 1059 C ALA A 68 12.345 -9.831 0.829 1.00 0.00 C ATOM 1060 O ALA A 68 12.604 -8.680 0.475 1.00 0.00 O ATOM 1061 CB ALA A 68 14.379 -11.209 1.295 1.00 0.00 C ATOM 0 H ALA A 68 12.726 -12.434 2.640 1.00 0.00 H new ATOM 0 HA ALA A 68 13.519 -9.755 2.607 1.00 0.00 H new ATOM 0 HB1 ALA A 68 14.971 -10.481 0.740 1.00 0.00 H new ATOM 0 HB2 ALA A 68 14.990 -11.647 2.084 1.00 0.00 H new ATOM 0 HB3 ALA A 68 14.043 -11.994 0.618 1.00 0.00 H new ATOM 1067 N LYS A 69 11.350 -10.542 0.309 1.00 0.00 N ATOM 1068 CA LYS A 69 10.487 -9.999 -0.733 1.00 0.00 C ATOM 1069 C LYS A 69 9.758 -8.751 -0.242 1.00 0.00 C ATOM 1070 O LYS A 69 9.453 -7.851 -1.025 1.00 0.00 O ATOM 1071 CB LYS A 69 9.471 -11.053 -1.182 1.00 0.00 C ATOM 1072 CG LYS A 69 10.105 -12.373 -1.589 1.00 0.00 C ATOM 1073 CD LYS A 69 9.096 -13.289 -2.263 1.00 0.00 C ATOM 1074 CE LYS A 69 8.758 -12.811 -3.666 1.00 0.00 C ATOM 1075 NZ LYS A 69 8.604 -13.945 -4.618 1.00 0.00 N ATOM 0 H LYS A 69 11.122 -11.495 0.592 1.00 0.00 H new ATOM 0 HA LYS A 69 11.113 -9.722 -1.581 1.00 0.00 H new ATOM 0 HB2 LYS A 69 8.764 -11.233 -0.372 1.00 0.00 H new ATOM 0 HB3 LYS A 69 8.899 -10.660 -2.022 1.00 0.00 H new ATOM 0 HG2 LYS A 69 10.937 -12.185 -2.267 1.00 0.00 H new ATOM 0 HG3 LYS A 69 10.516 -12.867 -0.709 1.00 0.00 H new ATOM 0 HD2 LYS A 69 9.497 -14.302 -2.309 1.00 0.00 H new ATOM 0 HD3 LYS A 69 8.187 -13.333 -1.664 1.00 0.00 H new ATOM 0 HE2 LYS A 69 7.835 -12.232 -3.639 1.00 0.00 H new ATOM 0 HE3 LYS A 69 9.543 -12.143 -4.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 8.374 -13.576 -5.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 9.493 -14.483 -4.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 7.838 -14.569 -4.294 1.00 0.00 H new ATOM 1089 N TYR A 70 9.480 -8.705 1.056 1.00 0.00 N ATOM 1090 CA TYR A 70 8.785 -7.569 1.649 1.00 0.00 C ATOM 1091 C TYR A 70 9.758 -6.663 2.399 1.00 0.00 C ATOM 1092 O TYR A 70 9.608 -5.442 2.402 1.00 0.00 O ATOM 1093 CB TYR A 70 7.688 -8.054 2.599 1.00 0.00 C ATOM 1094 CG TYR A 70 6.848 -9.175 2.031 1.00 0.00 C ATOM 1095 CD1 TYR A 70 5.728 -8.905 1.254 1.00 0.00 C ATOM 1096 CD2 TYR A 70 7.175 -10.504 2.272 1.00 0.00 C ATOM 1097 CE1 TYR A 70 4.958 -9.927 0.733 1.00 0.00 C ATOM 1098 CE2 TYR A 70 6.409 -11.531 1.754 1.00 0.00 C ATOM 1099 CZ TYR A 70 5.302 -11.238 0.986 1.00 0.00 C ATOM 1100 OH TYR A 70 4.538 -12.259 0.469 1.00 0.00 O ATOM 0 H TYR A 70 9.725 -9.441 1.718 1.00 0.00 H new ATOM 0 HA TYR A 70 8.331 -6.994 0.842 1.00 0.00 H new ATOM 0 HB2 TYR A 70 8.147 -8.390 3.529 1.00 0.00 H new ATOM 0 HB3 TYR A 70 7.038 -7.215 2.849 1.00 0.00 H new ATOM 0 HD1 TYR A 70 5.455 -7.879 1.054 1.00 0.00 H new ATOM 0 HD2 TYR A 70 8.041 -10.738 2.873 1.00 0.00 H new ATOM 0 HE1 TYR A 70 4.091 -9.700 0.131 1.00 0.00 H new ATOM 0 HE2 TYR A 70 6.676 -12.559 1.950 1.00 0.00 H new ATOM 0 HH TYR A 70 4.917 -13.121 0.740 1.00 0.00 H new ATOM 1110 N LYS A 71 10.756 -7.271 3.032 1.00 0.00 N ATOM 1111 CA LYS A 71 11.753 -6.518 3.786 1.00 0.00 C ATOM 1112 C LYS A 71 12.491 -5.536 2.881 1.00 0.00 C ATOM 1113 O LYS A 71 12.911 -4.466 3.321 1.00 0.00 O ATOM 1114 CB LYS A 71 12.751 -7.470 4.446 1.00 0.00 C ATOM 1115 CG LYS A 71 12.336 -7.913 5.840 1.00 0.00 C ATOM 1116 CD LYS A 71 13.287 -8.958 6.400 1.00 0.00 C ATOM 1117 CE LYS A 71 12.741 -9.583 7.674 1.00 0.00 C ATOM 1118 NZ LYS A 71 13.060 -11.034 7.766 1.00 0.00 N ATOM 0 H LYS A 71 10.896 -8.281 3.038 1.00 0.00 H new ATOM 0 HA LYS A 71 11.235 -5.952 4.561 1.00 0.00 H new ATOM 0 HB2 LYS A 71 12.873 -8.350 3.815 1.00 0.00 H new ATOM 0 HB3 LYS A 71 13.724 -6.981 4.503 1.00 0.00 H new ATOM 0 HG2 LYS A 71 12.311 -7.049 6.505 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.325 -8.320 5.808 1.00 0.00 H new ATOM 0 HD2 LYS A 71 13.454 -9.736 5.655 1.00 0.00 H new ATOM 0 HD3 LYS A 71 14.254 -8.499 6.604 1.00 0.00 H new ATOM 0 HE2 LYS A 71 13.157 -9.065 8.538 1.00 0.00 H new ATOM 0 HE3 LYS A 71 11.660 -9.447 7.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 12.177 -11.581 7.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 13.600 -11.325 6.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 13.627 -11.211 8.620 1.00 0.00 H new ATOM 1132 N ALA A 72 12.642 -5.907 1.613 1.00 0.00 N ATOM 1133 CA ALA A 72 13.327 -5.058 0.646 1.00 0.00 C ATOM 1134 C ALA A 72 12.524 -3.793 0.364 1.00 0.00 C ATOM 1135 O ALA A 72 13.076 -2.694 0.309 1.00 0.00 O ATOM 1136 CB ALA A 72 13.578 -5.826 -0.643 1.00 0.00 C ATOM 0 H ALA A 72 12.299 -6.789 1.232 1.00 0.00 H new ATOM 0 HA ALA A 72 14.286 -4.761 1.071 1.00 0.00 H new ATOM 0 HB1 ALA A 72 14.090 -5.181 -1.357 1.00 0.00 H new ATOM 0 HB2 ALA A 72 14.197 -6.698 -0.432 1.00 0.00 H new ATOM 0 HB3 ALA A 72 12.627 -6.150 -1.064 1.00 0.00 H new ATOM 1142 N ARG A 73 11.217 -3.957 0.187 1.00 0.00 N ATOM 1143 CA ARG A 73 10.335 -2.828 -0.089 1.00 0.00 C ATOM 1144 C ARG A 73 10.237 -1.904 1.121 1.00 0.00 C ATOM 1145 O ARG A 73 9.991 -0.706 0.979 1.00 0.00 O ATOM 1146 CB ARG A 73 8.942 -3.328 -0.477 1.00 0.00 C ATOM 1147 CG ARG A 73 8.952 -4.331 -1.619 1.00 0.00 C ATOM 1148 CD ARG A 73 7.669 -5.147 -1.656 1.00 0.00 C ATOM 1149 NE ARG A 73 7.199 -5.365 -3.022 1.00 0.00 N ATOM 1150 CZ ARG A 73 6.271 -6.262 -3.351 1.00 0.00 C ATOM 1151 NH1 ARG A 73 5.715 -7.025 -2.419 1.00 0.00 N ATOM 1152 NH2 ARG A 73 5.899 -6.395 -4.616 1.00 0.00 N ATOM 0 H ARG A 73 10.745 -4.860 0.230 1.00 0.00 H new ATOM 0 HA ARG A 73 10.757 -2.263 -0.920 1.00 0.00 H new ATOM 0 HB2 ARG A 73 8.474 -3.786 0.394 1.00 0.00 H new ATOM 0 HB3 ARG A 73 8.324 -2.475 -0.759 1.00 0.00 H new ATOM 0 HG2 ARG A 73 9.077 -3.805 -2.565 1.00 0.00 H new ATOM 0 HG3 ARG A 73 9.806 -4.999 -1.510 1.00 0.00 H new ATOM 0 HD2 ARG A 73 7.837 -6.109 -1.172 1.00 0.00 H new ATOM 0 HD3 ARG A 73 6.896 -4.634 -1.084 1.00 0.00 H new ATOM 0 HE ARG A 73 7.605 -4.798 -3.766 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.998 -6.927 -1.444 1.00 0.00 H new ATOM 0 HH12 ARG A 73 5.005 -7.710 -2.678 1.00 0.00 H new ATOM 0 HH21 ARG A 73 6.323 -5.811 -5.336 1.00 0.00 H new ATOM 0 HH22 ARG A 73 5.188 -7.082 -4.869 1.00 0.00 H new ATOM 1166 N GLU A 74 10.431 -2.467 2.310 1.00 0.00 N ATOM 1167 CA GLU A 74 10.363 -1.693 3.545 1.00 0.00 C ATOM 1168 C GLU A 74 11.352 -0.530 3.515 1.00 0.00 C ATOM 1169 O GLU A 74 11.103 0.523 4.103 1.00 0.00 O ATOM 1170 CB GLU A 74 10.651 -2.592 4.749 1.00 0.00 C ATOM 1171 CG GLU A 74 10.625 -1.857 6.079 1.00 0.00 C ATOM 1172 CD GLU A 74 12.014 -1.519 6.585 1.00 0.00 C ATOM 1173 OE1 GLU A 74 12.666 -0.636 5.989 1.00 0.00 O ATOM 1174 OE2 GLU A 74 12.451 -2.138 7.578 1.00 0.00 O ATOM 0 H GLU A 74 10.637 -3.457 2.444 1.00 0.00 H new ATOM 0 HA GLU A 74 9.356 -1.286 3.635 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.917 -3.397 4.774 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.629 -3.056 4.619 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.048 -0.939 5.971 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.112 -2.471 6.819 1.00 0.00 H new ATOM 1181 N ALA A 75 12.472 -0.730 2.830 1.00 0.00 N ATOM 1182 CA ALA A 75 13.499 0.301 2.727 1.00 0.00 C ATOM 1183 C ALA A 75 13.056 1.432 1.804 1.00 0.00 C ATOM 1184 O ALA A 75 13.468 2.580 1.975 1.00 0.00 O ATOM 1185 CB ALA A 75 14.803 -0.304 2.232 1.00 0.00 C ATOM 0 H ALA A 75 12.692 -1.596 2.338 1.00 0.00 H new ATOM 0 HA ALA A 75 13.657 0.721 3.721 1.00 0.00 H new ATOM 0 HB1 ALA A 75 15.561 0.476 2.159 1.00 0.00 H new ATOM 0 HB2 ALA A 75 15.137 -1.071 2.931 1.00 0.00 H new ATOM 0 HB3 ALA A 75 14.647 -0.751 1.250 1.00 0.00 H new ATOM 1191 N ALA A 76 12.217 1.103 0.827 1.00 0.00 N ATOM 1192 CA ALA A 76 11.723 2.093 -0.121 1.00 0.00 C ATOM 1193 C ALA A 76 10.499 2.821 0.424 1.00 0.00 C ATOM 1194 O ALA A 76 10.240 3.971 0.068 1.00 0.00 O ATOM 1195 CB ALA A 76 11.394 1.429 -1.450 1.00 0.00 C ATOM 0 H ALA A 76 11.865 0.158 0.672 1.00 0.00 H new ATOM 0 HA ALA A 76 12.509 2.831 -0.277 1.00 0.00 H new ATOM 0 HB1 ALA A 76 11.026 2.179 -2.150 1.00 0.00 H new ATOM 0 HB2 ALA A 76 12.292 0.963 -1.856 1.00 0.00 H new ATOM 0 HB3 ALA A 76 10.628 0.669 -1.297 1.00 0.00 H new ATOM 1201 N LEU A 77 9.747 2.146 1.288 1.00 0.00 N ATOM 1202 CA LEU A 77 8.549 2.730 1.879 1.00 0.00 C ATOM 1203 C LEU A 77 8.889 3.536 3.129 1.00 0.00 C ATOM 1204 O LEU A 77 8.247 4.545 3.422 1.00 0.00 O ATOM 1205 CB LEU A 77 7.540 1.633 2.225 1.00 0.00 C ATOM 1206 CG LEU A 77 7.069 0.789 1.040 1.00 0.00 C ATOM 1207 CD1 LEU A 77 6.156 -0.332 1.512 1.00 0.00 C ATOM 1208 CD2 LEU A 77 6.357 1.661 0.015 1.00 0.00 C ATOM 0 H LEU A 77 9.947 1.194 1.594 1.00 0.00 H new ATOM 0 HA LEU A 77 8.108 3.405 1.146 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.986 0.972 2.968 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.670 2.095 2.691 1.00 0.00 H new ATOM 0 HG LEU A 77 7.943 0.343 0.566 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.831 -0.922 0.655 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.697 -0.972 2.209 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.285 0.094 2.011 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.028 1.044 -0.822 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.492 2.135 0.479 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.041 2.429 -0.347 1.00 0.00 H new ATOM 1220 N LYS A 78 9.900 3.084 3.865 1.00 0.00 N ATOM 1221 CA LYS A 78 10.320 3.763 5.085 1.00 0.00 C ATOM 1222 C LYS A 78 10.726 5.208 4.798 1.00 0.00 C ATOM 1223 O LYS A 78 10.631 6.073 5.669 1.00 0.00 O ATOM 1224 CB LYS A 78 11.484 3.014 5.736 1.00 0.00 C ATOM 1225 CG LYS A 78 11.060 2.131 6.901 1.00 0.00 C ATOM 1226 CD LYS A 78 12.038 2.232 8.061 1.00 0.00 C ATOM 1227 CE LYS A 78 11.897 1.054 9.013 1.00 0.00 C ATOM 1228 NZ LYS A 78 10.573 1.046 9.694 1.00 0.00 N ATOM 0 H LYS A 78 10.443 2.251 3.638 1.00 0.00 H new ATOM 0 HA LYS A 78 9.473 3.774 5.772 1.00 0.00 H new ATOM 0 HB2 LYS A 78 11.976 2.398 4.983 1.00 0.00 H new ATOM 0 HB3 LYS A 78 12.220 3.737 6.087 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.065 2.422 7.236 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.994 1.095 6.569 1.00 0.00 H new ATOM 0 HD2 LYS A 78 13.057 2.271 7.677 1.00 0.00 H new ATOM 0 HD3 LYS A 78 11.866 3.162 8.603 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.027 0.123 8.461 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.689 1.094 9.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 10.517 0.228 10.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 10.459 1.923 10.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 9.817 0.982 8.983 1.00 0.00 H new