USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=10 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+ -178:sc= -0.749 (180deg=-0.762) USER MOD Set 1.2: A 38 GLN : amide:sc=-0.000578 X(o=-0.75,f=-0.77) USER MOD Single : A 26 SER OG : rot 180:sc= 0.0708 USER MOD Single : A 28 MET CE :methyl 147:sc= -1.2 (180deg=-1.26) USER MOD Single : A 32 SER OG : rot 91:sc= -1.45! USER MOD Single : A 40 GLN : amide:sc= -1.26 K(o=-1.3,f=-5.7!) USER MOD Single : A 47 SER OG : rot 180:sc=0.000156 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 74:sc= 1.23 USER MOD Single : A 58 MET CE :methyl -158:sc= -0.646 (180deg=-1.01) USER MOD Single : A 60 ASN : amide:sc= -0.0148 X(o=-0.015,f=-0.18) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 319 N VAL A 25 5.551 1.892 6.913 1.00 0.00 N ATOM 320 CA VAL A 25 5.093 0.654 6.296 1.00 0.00 C ATOM 321 C VAL A 25 6.135 -0.450 6.438 1.00 0.00 C ATOM 322 O VAL A 25 6.818 -0.803 5.476 1.00 0.00 O ATOM 323 CB VAL A 25 4.771 0.855 4.803 1.00 0.00 C ATOM 324 CG1 VAL A 25 4.096 -0.382 4.231 1.00 0.00 C ATOM 325 CG2 VAL A 25 3.899 2.086 4.605 1.00 0.00 C ATOM 0 HA VAL A 25 4.183 0.359 6.818 1.00 0.00 H new ATOM 0 HB VAL A 25 5.707 1.011 4.267 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.876 -0.221 3.176 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.759 -1.240 4.337 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.168 -0.572 4.770 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.682 2.211 3.544 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.966 1.963 5.154 1.00 0.00 H new ATOM 0 HG23 VAL A 25 4.424 2.967 4.975 1.00 0.00 H new ATOM 335 N SER A 26 6.254 -0.991 7.647 1.00 0.00 N ATOM 336 CA SER A 26 7.214 -2.056 7.918 1.00 0.00 C ATOM 337 C SER A 26 6.957 -3.260 7.018 1.00 0.00 C ATOM 338 O SER A 26 5.914 -3.352 6.368 1.00 0.00 O ATOM 339 CB SER A 26 7.138 -2.478 9.387 1.00 0.00 C ATOM 340 OG SER A 26 5.840 -2.272 9.913 1.00 0.00 O ATOM 0 H SER A 26 5.698 -0.709 8.454 1.00 0.00 H new ATOM 0 HA SER A 26 8.213 -1.674 7.708 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.408 -3.530 9.480 1.00 0.00 H new ATOM 0 HB3 SER A 26 7.863 -1.910 9.969 1.00 0.00 H new ATOM 0 HG SER A 26 5.819 -2.552 10.852 1.00 0.00 H new ATOM 346 N ALA A 27 7.913 -4.182 6.982 1.00 0.00 N ATOM 347 CA ALA A 27 7.790 -5.380 6.162 1.00 0.00 C ATOM 348 C ALA A 27 6.558 -6.189 6.553 1.00 0.00 C ATOM 349 O ALA A 27 5.955 -6.864 5.719 1.00 0.00 O ATOM 350 CB ALA A 27 9.043 -6.233 6.281 1.00 0.00 C ATOM 0 H ALA A 27 8.782 -4.122 7.512 1.00 0.00 H new ATOM 0 HA ALA A 27 7.674 -5.069 5.124 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.936 -7.124 5.663 1.00 0.00 H new ATOM 0 HB2 ALA A 27 9.907 -5.660 5.945 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.185 -6.527 7.321 1.00 0.00 H new ATOM 356 N MET A 28 6.190 -6.116 7.828 1.00 0.00 N ATOM 357 CA MET A 28 5.029 -6.842 8.330 1.00 0.00 C ATOM 358 C MET A 28 3.735 -6.230 7.803 1.00 0.00 C ATOM 359 O MET A 28 2.743 -6.930 7.601 1.00 0.00 O ATOM 360 CB MET A 28 5.025 -6.838 9.861 1.00 0.00 C ATOM 361 CG MET A 28 3.846 -7.583 10.467 1.00 0.00 C ATOM 362 SD MET A 28 4.323 -8.628 11.858 1.00 0.00 S ATOM 363 CE MET A 28 2.860 -9.646 12.034 1.00 0.00 C ATOM 0 H MET A 28 6.678 -5.562 8.532 1.00 0.00 H new ATOM 0 HA MET A 28 5.092 -7.871 7.976 1.00 0.00 H new ATOM 0 HB2 MET A 28 5.951 -7.287 10.220 1.00 0.00 H new ATOM 0 HB3 MET A 28 5.013 -5.807 10.214 1.00 0.00 H new ATOM 0 HG2 MET A 28 3.098 -6.863 10.799 1.00 0.00 H new ATOM 0 HG3 MET A 28 3.377 -8.199 9.699 1.00 0.00 H new ATOM 0 HE1 MET A 28 3.148 -10.641 12.375 1.00 0.00 H new ATOM 0 HE2 MET A 28 2.187 -9.193 12.762 1.00 0.00 H new ATOM 0 HE3 MET A 28 2.353 -9.725 11.072 1.00 0.00 H new ATOM 373 N PHE A 29 3.753 -4.920 7.583 1.00 0.00 N ATOM 374 CA PHE A 29 2.582 -4.212 7.079 1.00 0.00 C ATOM 375 C PHE A 29 2.252 -4.652 5.657 1.00 0.00 C ATOM 376 O PHE A 29 1.088 -4.867 5.317 1.00 0.00 O ATOM 377 CB PHE A 29 2.817 -2.701 7.119 1.00 0.00 C ATOM 378 CG PHE A 29 1.588 -1.894 6.814 1.00 0.00 C ATOM 379 CD1 PHE A 29 1.260 -1.575 5.505 1.00 0.00 C ATOM 380 CD2 PHE A 29 0.761 -1.453 7.834 1.00 0.00 C ATOM 381 CE1 PHE A 29 0.129 -0.832 5.221 1.00 0.00 C ATOM 382 CE2 PHE A 29 -0.370 -0.710 7.556 1.00 0.00 C ATOM 383 CZ PHE A 29 -0.687 -0.399 6.248 1.00 0.00 C ATOM 0 H PHE A 29 4.566 -4.326 7.746 1.00 0.00 H new ATOM 0 HA PHE A 29 1.735 -4.456 7.721 1.00 0.00 H new ATOM 0 HB2 PHE A 29 3.187 -2.425 8.106 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.597 -2.444 6.403 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.895 -1.911 4.698 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.003 -1.693 8.859 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.116 -0.590 4.197 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -1.006 -0.372 8.361 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.571 0.181 6.029 1.00 0.00 H new ATOM 393 N ILE A 30 3.283 -4.783 4.829 1.00 0.00 N ATOM 394 CA ILE A 30 3.102 -5.198 3.443 1.00 0.00 C ATOM 395 C ILE A 30 2.467 -6.583 3.366 1.00 0.00 C ATOM 396 O ILE A 30 1.564 -6.820 2.565 1.00 0.00 O ATOM 397 CB ILE A 30 4.442 -5.216 2.681 1.00 0.00 C ATOM 398 CG1 ILE A 30 5.173 -3.883 2.857 1.00 0.00 C ATOM 399 CG2 ILE A 30 4.210 -5.508 1.205 1.00 0.00 C ATOM 400 CD1 ILE A 30 6.657 -4.037 3.104 1.00 0.00 C ATOM 0 H ILE A 30 4.252 -4.608 5.094 1.00 0.00 H new ATOM 0 HA ILE A 30 2.439 -4.469 2.977 1.00 0.00 H new ATOM 0 HB ILE A 30 5.066 -6.008 3.094 1.00 0.00 H new ATOM 0 HG12 ILE A 30 5.022 -3.275 1.965 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.728 -3.341 3.692 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.166 -5.517 0.681 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.728 -6.480 1.098 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.570 -4.736 0.778 1.00 0.00 H new ATOM 0 HD11 ILE A 30 7.111 -3.053 3.219 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.816 -4.619 4.012 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.115 -4.551 2.259 1.00 0.00 H new ATOM 412 N PHE A 31 2.946 -7.493 4.208 1.00 0.00 N ATOM 413 CA PHE A 31 2.425 -8.854 4.238 1.00 0.00 C ATOM 414 C PHE A 31 1.006 -8.879 4.796 1.00 0.00 C ATOM 415 O PHE A 31 0.133 -9.570 4.271 1.00 0.00 O ATOM 416 CB PHE A 31 3.333 -9.750 5.082 1.00 0.00 C ATOM 417 CG PHE A 31 2.955 -11.203 5.036 1.00 0.00 C ATOM 418 CD1 PHE A 31 3.383 -12.011 3.995 1.00 0.00 C ATOM 419 CD2 PHE A 31 2.174 -11.762 6.035 1.00 0.00 C ATOM 420 CE1 PHE A 31 3.039 -13.349 3.950 1.00 0.00 C ATOM 421 CE2 PHE A 31 1.826 -13.099 5.995 1.00 0.00 C ATOM 422 CZ PHE A 31 2.259 -13.893 4.952 1.00 0.00 C ATOM 0 H PHE A 31 3.694 -7.312 4.878 1.00 0.00 H new ATOM 0 HA PHE A 31 2.402 -9.232 3.216 1.00 0.00 H new ATOM 0 HB2 PHE A 31 4.361 -9.640 4.737 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.306 -9.409 6.117 1.00 0.00 H new ATOM 0 HD1 PHE A 31 3.993 -11.590 3.209 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.833 -11.146 6.854 1.00 0.00 H new ATOM 0 HE1 PHE A 31 3.379 -13.968 3.133 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.216 -13.522 6.779 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.988 -14.938 4.919 1.00 0.00 H new ATOM 432 N SER A 32 0.783 -8.119 5.864 1.00 0.00 N ATOM 433 CA SER A 32 -0.531 -8.052 6.495 1.00 0.00 C ATOM 434 C SER A 32 -1.515 -7.248 5.647 1.00 0.00 C ATOM 435 O SER A 32 -2.723 -7.290 5.881 1.00 0.00 O ATOM 436 CB SER A 32 -0.417 -7.431 7.888 1.00 0.00 C ATOM 437 OG SER A 32 -1.652 -7.495 8.579 1.00 0.00 O ATOM 0 H SER A 32 1.495 -7.541 6.311 1.00 0.00 H new ATOM 0 HA SER A 32 -0.911 -9.070 6.583 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.350 -7.952 8.460 1.00 0.00 H new ATOM 0 HB3 SER A 32 -0.099 -6.392 7.801 1.00 0.00 H new ATOM 0 HG SER A 32 -1.694 -8.326 9.097 1.00 0.00 H new ATOM 443 N GLU A 33 -0.997 -6.512 4.667 1.00 0.00 N ATOM 444 CA GLU A 33 -1.840 -5.701 3.795 1.00 0.00 C ATOM 445 C GLU A 33 -2.029 -6.370 2.438 1.00 0.00 C ATOM 446 O GLU A 33 -3.072 -6.219 1.802 1.00 0.00 O ATOM 447 CB GLU A 33 -1.229 -4.312 3.609 1.00 0.00 C ATOM 448 CG GLU A 33 -2.175 -3.315 2.962 1.00 0.00 C ATOM 449 CD GLU A 33 -1.447 -2.145 2.329 1.00 0.00 C ATOM 450 OE1 GLU A 33 -0.315 -2.345 1.841 1.00 0.00 O ATOM 451 OE2 GLU A 33 -2.010 -1.030 2.319 1.00 0.00 O ATOM 0 H GLU A 33 -0.000 -6.461 4.458 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.817 -5.603 4.269 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.918 -3.928 4.580 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.331 -4.398 2.998 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.768 -3.823 2.202 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.872 -2.941 3.712 1.00 0.00 H new ATOM 458 N GLU A 34 -1.014 -7.107 2.000 1.00 0.00 N ATOM 459 CA GLU A 34 -1.070 -7.796 0.715 1.00 0.00 C ATOM 460 C GLU A 34 -1.749 -9.155 0.851 1.00 0.00 C ATOM 461 O GLU A 34 -2.532 -9.557 -0.009 1.00 0.00 O ATOM 462 CB GLU A 34 0.338 -7.969 0.144 1.00 0.00 C ATOM 463 CG GLU A 34 0.369 -8.095 -1.371 1.00 0.00 C ATOM 464 CD GLU A 34 1.375 -7.161 -2.014 1.00 0.00 C ATOM 465 OE1 GLU A 34 2.544 -7.150 -1.571 1.00 0.00 O ATOM 466 OE2 GLU A 34 0.997 -6.440 -2.961 1.00 0.00 O ATOM 0 H GLU A 34 -0.144 -7.243 2.515 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.660 -7.186 0.031 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.949 -7.117 0.442 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.793 -8.857 0.583 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.609 -9.123 -1.641 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.623 -7.884 -1.770 1.00 0.00 H new ATOM 473 N LYS A 35 -1.443 -9.861 1.936 1.00 0.00 N ATOM 474 CA LYS A 35 -2.025 -11.176 2.179 1.00 0.00 C ATOM 475 C LYS A 35 -3.495 -11.061 2.576 1.00 0.00 C ATOM 476 O LYS A 35 -4.289 -11.966 2.320 1.00 0.00 O ATOM 477 CB LYS A 35 -1.247 -11.909 3.275 1.00 0.00 C ATOM 478 CG LYS A 35 0.205 -12.179 2.915 1.00 0.00 C ATOM 479 CD LYS A 35 0.360 -13.486 2.153 1.00 0.00 C ATOM 480 CE LYS A 35 0.926 -13.259 0.761 1.00 0.00 C ATOM 481 NZ LYS A 35 0.048 -12.381 -0.059 1.00 0.00 N ATOM 0 H LYS A 35 -0.797 -9.545 2.659 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.962 -11.746 1.252 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.282 -11.318 4.190 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.742 -12.857 3.488 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.589 -11.357 2.311 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.805 -12.214 3.824 1.00 0.00 H new ATOM 0 HD2 LYS A 35 1.016 -14.156 2.708 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.609 -13.980 2.076 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.916 -12.810 0.841 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.051 -14.218 0.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 0.452 -12.279 -1.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.899 -12.805 -0.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.023 -11.445 0.389 1.00 0.00 H new ATOM 495 N ARG A 36 -3.849 -9.943 3.202 1.00 0.00 N ATOM 496 CA ARG A 36 -5.223 -9.712 3.634 1.00 0.00 C ATOM 497 C ARG A 36 -6.188 -9.789 2.454 1.00 0.00 C ATOM 498 O ARG A 36 -7.251 -10.404 2.548 1.00 0.00 O ATOM 499 CB ARG A 36 -5.344 -8.349 4.317 1.00 0.00 C ATOM 500 CG ARG A 36 -6.666 -8.145 5.039 1.00 0.00 C ATOM 501 CD ARG A 36 -6.923 -6.675 5.329 1.00 0.00 C ATOM 502 NE ARG A 36 -6.835 -5.855 4.122 1.00 0.00 N ATOM 503 CZ ARG A 36 -6.754 -4.526 4.133 1.00 0.00 C ATOM 504 NH1 ARG A 36 -6.746 -3.864 5.284 1.00 0.00 N ATOM 505 NH2 ARG A 36 -6.680 -3.858 2.991 1.00 0.00 N ATOM 0 H ARG A 36 -3.204 -9.184 3.421 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.487 -10.493 4.347 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.528 -8.236 5.031 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.223 -7.565 3.569 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.478 -8.544 4.432 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.661 -8.706 5.974 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.912 -6.561 5.774 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.200 -6.319 6.063 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.836 -6.329 3.219 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.802 -4.374 6.166 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.684 -2.846 5.286 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.685 -4.362 2.104 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -6.618 -2.840 2.999 1.00 0.00 H new ATOM 519 N ARG A 37 -5.810 -9.162 1.345 1.00 0.00 N ATOM 520 CA ARG A 37 -6.642 -9.160 0.147 1.00 0.00 C ATOM 521 C ARG A 37 -6.743 -10.562 -0.447 1.00 0.00 C ATOM 522 O ARG A 37 -7.753 -10.920 -1.051 1.00 0.00 O ATOM 523 CB ARG A 37 -6.075 -8.192 -0.892 1.00 0.00 C ATOM 524 CG ARG A 37 -7.143 -7.463 -1.691 1.00 0.00 C ATOM 525 CD ARG A 37 -6.534 -6.629 -2.805 1.00 0.00 C ATOM 526 NE ARG A 37 -7.513 -6.291 -3.835 1.00 0.00 N ATOM 527 CZ ARG A 37 -7.353 -5.306 -4.716 1.00 0.00 C ATOM 528 NH1 ARG A 37 -6.256 -4.560 -4.694 1.00 0.00 N ATOM 529 NH2 ARG A 37 -8.293 -5.067 -5.620 1.00 0.00 N ATOM 0 H ARG A 37 -4.933 -8.649 1.251 1.00 0.00 H new ATOM 0 HA ARG A 37 -7.642 -8.832 0.430 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -5.446 -7.458 -0.388 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.433 -8.744 -1.578 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -7.838 -8.187 -2.116 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -7.719 -6.819 -1.027 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.118 -5.713 -2.386 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -5.707 -7.177 -3.257 1.00 0.00 H new ATOM 0 HE ARG A 37 -8.370 -6.842 -3.882 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -5.531 -4.740 -4.000 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -6.138 -3.806 -5.371 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -9.138 -5.638 -5.640 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -8.171 -4.312 -6.295 1.00 0.00 H new ATOM 543 N GLN A 38 -5.687 -11.351 -0.271 1.00 0.00 N ATOM 544 CA GLN A 38 -5.656 -12.713 -0.790 1.00 0.00 C ATOM 545 C GLN A 38 -6.549 -13.631 0.040 1.00 0.00 C ATOM 546 O GLN A 38 -7.157 -14.564 -0.485 1.00 0.00 O ATOM 547 CB GLN A 38 -4.223 -13.248 -0.797 1.00 0.00 C ATOM 548 CG GLN A 38 -3.375 -12.702 -1.935 1.00 0.00 C ATOM 549 CD GLN A 38 -2.902 -13.786 -2.884 1.00 0.00 C ATOM 550 OE1 GLN A 38 -3.706 -14.527 -3.449 1.00 0.00 O ATOM 551 NE2 GLN A 38 -1.590 -13.886 -3.063 1.00 0.00 N ATOM 0 H GLN A 38 -4.842 -11.070 0.227 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.033 -12.694 -1.812 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.747 -13.000 0.151 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.250 -14.336 -0.865 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -3.953 -11.964 -2.492 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.510 -12.184 -1.522 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -0.959 -13.251 -2.575 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -1.213 -14.598 -3.689 1.00 0.00 H new ATOM 560 N LEU A 39 -6.621 -13.360 1.339 1.00 0.00 N ATOM 561 CA LEU A 39 -7.440 -14.161 2.242 1.00 0.00 C ATOM 562 C LEU A 39 -8.886 -13.677 2.240 1.00 0.00 C ATOM 563 O LEU A 39 -9.815 -14.463 2.427 1.00 0.00 O ATOM 564 CB LEU A 39 -6.872 -14.106 3.661 1.00 0.00 C ATOM 565 CG LEU A 39 -5.662 -15.009 3.912 1.00 0.00 C ATOM 566 CD1 LEU A 39 -5.032 -14.694 5.259 1.00 0.00 C ATOM 567 CD2 LEU A 39 -6.067 -16.474 3.838 1.00 0.00 C ATOM 0 H LEU A 39 -6.123 -12.593 1.790 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.422 -15.193 1.891 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.590 -13.077 3.883 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.661 -14.379 4.362 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.921 -14.818 3.135 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.173 -15.346 5.420 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.706 -13.654 5.274 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.764 -14.856 6.050 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.195 -17.102 4.019 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.826 -16.680 4.593 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.471 -16.690 2.849 1.00 0.00 H new ATOM 579 N GLN A 40 -9.069 -12.377 2.030 1.00 0.00 N ATOM 580 CA GLN A 40 -10.403 -11.788 2.004 1.00 0.00 C ATOM 581 C GLN A 40 -11.252 -12.414 0.901 1.00 0.00 C ATOM 582 O GLN A 40 -12.404 -12.785 1.126 1.00 0.00 O ATOM 583 CB GLN A 40 -10.310 -10.273 1.802 1.00 0.00 C ATOM 584 CG GLN A 40 -10.834 -9.470 2.981 1.00 0.00 C ATOM 585 CD GLN A 40 -9.992 -8.244 3.271 1.00 0.00 C ATOM 586 OE1 GLN A 40 -8.888 -8.094 2.745 1.00 0.00 O ATOM 587 NE2 GLN A 40 -10.508 -7.356 4.114 1.00 0.00 N ATOM 0 H GLN A 40 -8.311 -11.712 1.876 1.00 0.00 H new ATOM 0 HA GLN A 40 -10.883 -11.989 2.962 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -9.270 -10.002 1.622 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -10.870 -9.999 0.908 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -11.860 -9.162 2.779 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -10.860 -10.106 3.866 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -11.426 -7.519 4.528 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -9.986 -6.511 4.348 1.00 0.00 H new ATOM 596 N GLU A 41 -10.675 -12.528 -0.291 1.00 0.00 N ATOM 597 CA GLU A 41 -11.378 -13.109 -1.427 1.00 0.00 C ATOM 598 C GLU A 41 -11.650 -14.593 -1.197 1.00 0.00 C ATOM 599 O GLU A 41 -12.707 -15.104 -1.565 1.00 0.00 O ATOM 600 CB GLU A 41 -10.564 -12.921 -2.709 1.00 0.00 C ATOM 601 CG GLU A 41 -10.467 -11.474 -3.162 1.00 0.00 C ATOM 602 CD GLU A 41 -11.701 -11.015 -3.914 1.00 0.00 C ATOM 603 OE1 GLU A 41 -11.862 -11.411 -5.088 1.00 0.00 O ATOM 604 OE2 GLU A 41 -12.506 -10.260 -3.330 1.00 0.00 O ATOM 0 H GLU A 41 -9.722 -12.225 -0.494 1.00 0.00 H new ATOM 0 HA GLU A 41 -12.333 -12.594 -1.533 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -9.559 -13.312 -2.552 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -11.015 -13.513 -3.506 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.317 -10.834 -2.292 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -9.592 -11.355 -3.800 1.00 0.00 H new ATOM 611 N GLU A 42 -10.689 -15.277 -0.586 1.00 0.00 N ATOM 612 CA GLU A 42 -10.825 -16.702 -0.305 1.00 0.00 C ATOM 613 C GLU A 42 -11.789 -16.939 0.852 1.00 0.00 C ATOM 614 O GLU A 42 -12.503 -17.942 0.883 1.00 0.00 O ATOM 615 CB GLU A 42 -9.459 -17.311 0.020 1.00 0.00 C ATOM 616 CG GLU A 42 -8.544 -17.432 -1.188 1.00 0.00 C ATOM 617 CD GLU A 42 -7.726 -18.708 -1.172 1.00 0.00 C ATOM 618 OE1 GLU A 42 -8.330 -19.801 -1.168 1.00 0.00 O ATOM 619 OE2 GLU A 42 -6.481 -18.614 -1.165 1.00 0.00 O ATOM 0 H GLU A 42 -9.808 -14.868 -0.276 1.00 0.00 H new ATOM 0 HA GLU A 42 -11.229 -17.186 -1.194 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.969 -16.699 0.777 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.605 -18.300 0.455 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.143 -17.400 -2.098 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.872 -16.574 -1.218 1.00 0.00 H new ATOM 626 N ARG A 43 -11.806 -16.010 1.802 1.00 0.00 N ATOM 627 CA ARG A 43 -12.683 -16.119 2.962 1.00 0.00 C ATOM 628 C ARG A 43 -13.411 -14.801 3.218 1.00 0.00 C ATOM 629 O ARG A 43 -12.978 -13.994 4.041 1.00 0.00 O ATOM 630 CB ARG A 43 -11.879 -16.521 4.200 1.00 0.00 C ATOM 631 CG ARG A 43 -11.129 -17.832 4.039 1.00 0.00 C ATOM 632 CD ARG A 43 -12.041 -19.027 4.264 1.00 0.00 C ATOM 633 NE ARG A 43 -11.363 -20.105 4.983 1.00 0.00 N ATOM 634 CZ ARG A 43 -11.791 -21.364 5.005 1.00 0.00 C ATOM 635 NH1 ARG A 43 -12.893 -21.710 4.349 1.00 0.00 N ATOM 636 NH2 ARG A 43 -11.115 -22.283 5.683 1.00 0.00 N ATOM 0 H ARG A 43 -11.223 -15.173 1.791 1.00 0.00 H new ATOM 0 HA ARG A 43 -13.425 -16.890 2.755 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -11.166 -15.730 4.432 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -12.555 -16.601 5.052 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -10.698 -17.885 3.039 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -10.300 -17.867 4.746 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -12.919 -18.712 4.827 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -12.395 -19.399 3.303 1.00 0.00 H new ATOM 0 HE ARG A 43 -10.512 -19.878 5.498 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -13.416 -21.009 3.825 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -13.216 -22.677 4.370 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -10.267 -22.024 6.187 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -11.443 -23.249 5.700 1.00 0.00 H new ATOM 650 N PRO A 44 -14.532 -14.568 2.516 1.00 0.00 N ATOM 651 CA PRO A 44 -15.321 -13.340 2.672 1.00 0.00 C ATOM 652 C PRO A 44 -15.992 -13.249 4.039 1.00 0.00 C ATOM 653 O PRO A 44 -16.389 -12.167 4.474 1.00 0.00 O ATOM 654 CB PRO A 44 -16.374 -13.448 1.566 1.00 0.00 C ATOM 655 CG PRO A 44 -16.490 -14.906 1.289 1.00 0.00 C ATOM 656 CD PRO A 44 -15.119 -15.479 1.516 1.00 0.00 C ATOM 0 HA PRO A 44 -14.699 -12.447 2.601 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -17.328 -13.030 1.887 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -16.069 -12.900 0.675 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -17.222 -15.372 1.949 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -16.823 -15.084 0.267 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.167 -16.504 1.885 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -14.534 -15.498 0.597 1.00 0.00 H new ATOM 664 N GLU A 45 -16.116 -14.388 4.715 1.00 0.00 N ATOM 665 CA GLU A 45 -16.739 -14.428 6.033 1.00 0.00 C ATOM 666 C GLU A 45 -15.853 -13.754 7.074 1.00 0.00 C ATOM 667 O GLU A 45 -16.346 -13.137 8.019 1.00 0.00 O ATOM 668 CB GLU A 45 -17.018 -15.876 6.444 1.00 0.00 C ATOM 669 CG GLU A 45 -17.956 -15.999 7.634 1.00 0.00 C ATOM 670 CD GLU A 45 -18.738 -17.297 7.626 1.00 0.00 C ATOM 671 OE1 GLU A 45 -18.232 -18.293 7.066 1.00 0.00 O ATOM 672 OE2 GLU A 45 -19.858 -17.318 8.180 1.00 0.00 O ATOM 0 H GLU A 45 -15.794 -15.293 4.372 1.00 0.00 H new ATOM 0 HA GLU A 45 -17.682 -13.884 5.978 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -17.448 -16.410 5.596 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -16.074 -16.366 6.683 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -17.378 -15.932 8.556 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -18.652 -15.160 7.632 1.00 0.00 H new ATOM 679 N LEU A 46 -14.542 -13.874 6.894 1.00 0.00 N ATOM 680 CA LEU A 46 -13.585 -13.276 7.816 1.00 0.00 C ATOM 681 C LEU A 46 -13.400 -11.791 7.522 1.00 0.00 C ATOM 682 O LEU A 46 -13.242 -11.393 6.368 1.00 0.00 O ATOM 683 CB LEU A 46 -12.239 -13.998 7.726 1.00 0.00 C ATOM 684 CG LEU A 46 -12.126 -15.265 8.576 1.00 0.00 C ATOM 685 CD1 LEU A 46 -10.853 -16.025 8.233 1.00 0.00 C ATOM 686 CD2 LEU A 46 -12.158 -14.918 10.057 1.00 0.00 C ATOM 0 H LEU A 46 -14.118 -14.381 6.117 1.00 0.00 H new ATOM 0 HA LEU A 46 -13.979 -13.381 8.827 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -12.053 -14.260 6.684 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -11.452 -13.306 8.026 1.00 0.00 H new ATOM 0 HG LEU A 46 -12.979 -15.906 8.355 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.789 -16.923 8.847 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.869 -16.306 7.180 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.988 -15.391 8.426 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -12.077 -15.831 10.647 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -11.324 -14.257 10.294 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -13.096 -14.416 10.293 1.00 0.00 H new ATOM 698 N SER A 47 -13.422 -10.977 8.572 1.00 0.00 N ATOM 699 CA SER A 47 -13.258 -9.536 8.425 1.00 0.00 C ATOM 700 C SER A 47 -11.795 -9.134 8.585 1.00 0.00 C ATOM 701 O SER A 47 -10.938 -9.973 8.865 1.00 0.00 O ATOM 702 CB SER A 47 -14.117 -8.796 9.452 1.00 0.00 C ATOM 703 OG SER A 47 -14.258 -7.428 9.110 1.00 0.00 O ATOM 0 H SER A 47 -13.552 -11.291 9.534 1.00 0.00 H new ATOM 0 HA SER A 47 -13.584 -9.260 7.422 1.00 0.00 H new ATOM 0 HB2 SER A 47 -15.100 -9.262 9.511 1.00 0.00 H new ATOM 0 HB3 SER A 47 -13.663 -8.882 10.439 1.00 0.00 H new ATOM 0 HG SER A 47 -14.813 -6.978 9.781 1.00 0.00 H new ATOM 709 N GLU A 48 -11.516 -7.848 8.405 1.00 0.00 N ATOM 710 CA GLU A 48 -10.157 -7.335 8.530 1.00 0.00 C ATOM 711 C GLU A 48 -9.615 -7.567 9.937 1.00 0.00 C ATOM 712 O GLU A 48 -8.432 -7.855 10.118 1.00 0.00 O ATOM 713 CB GLU A 48 -10.118 -5.843 8.197 1.00 0.00 C ATOM 714 CG GLU A 48 -8.724 -5.239 8.269 1.00 0.00 C ATOM 715 CD GLU A 48 -8.711 -3.761 7.934 1.00 0.00 C ATOM 716 OE1 GLU A 48 -9.550 -3.330 7.114 1.00 0.00 O ATOM 717 OE2 GLU A 48 -7.863 -3.033 8.491 1.00 0.00 O ATOM 0 H GLU A 48 -12.213 -7.141 8.172 1.00 0.00 H new ATOM 0 HA GLU A 48 -9.527 -7.874 7.823 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.519 -5.692 7.195 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.772 -5.308 8.885 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.321 -5.384 9.271 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.066 -5.770 7.581 1.00 0.00 H new ATOM 724 N SER A 49 -10.489 -7.439 10.930 1.00 0.00 N ATOM 725 CA SER A 49 -10.098 -7.636 12.321 1.00 0.00 C ATOM 726 C SER A 49 -9.717 -9.089 12.579 1.00 0.00 C ATOM 727 O SER A 49 -8.858 -9.377 13.413 1.00 0.00 O ATOM 728 CB SER A 49 -11.236 -7.220 13.255 1.00 0.00 C ATOM 729 OG SER A 49 -11.424 -5.816 13.239 1.00 0.00 O ATOM 0 H SER A 49 -11.472 -7.200 10.797 1.00 0.00 H new ATOM 0 HA SER A 49 -9.227 -7.012 12.520 1.00 0.00 H new ATOM 0 HB2 SER A 49 -12.158 -7.717 12.953 1.00 0.00 H new ATOM 0 HB3 SER A 49 -11.015 -7.549 14.271 1.00 0.00 H new ATOM 0 HG SER A 49 -12.158 -5.577 13.843 1.00 0.00 H new ATOM 735 N GLU A 50 -10.361 -10.002 11.859 1.00 0.00 N ATOM 736 CA GLU A 50 -10.090 -11.426 12.011 1.00 0.00 C ATOM 737 C GLU A 50 -8.844 -11.830 11.228 1.00 0.00 C ATOM 738 O GLU A 50 -8.108 -12.729 11.633 1.00 0.00 O ATOM 739 CB GLU A 50 -11.291 -12.249 11.539 1.00 0.00 C ATOM 740 CG GLU A 50 -12.576 -11.934 12.288 1.00 0.00 C ATOM 741 CD GLU A 50 -13.296 -13.182 12.763 1.00 0.00 C ATOM 742 OE1 GLU A 50 -12.639 -14.046 13.381 1.00 0.00 O ATOM 743 OE2 GLU A 50 -14.515 -13.294 12.516 1.00 0.00 O ATOM 0 H GLU A 50 -11.074 -9.780 11.164 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.914 -11.625 13.068 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -11.447 -12.071 10.475 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -11.063 -13.309 11.655 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.346 -11.303 13.146 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -13.239 -11.361 11.640 1.00 0.00 H new ATOM 750 N LEU A 51 -8.615 -11.158 10.104 1.00 0.00 N ATOM 751 CA LEU A 51 -7.459 -11.445 9.264 1.00 0.00 C ATOM 752 C LEU A 51 -6.174 -10.931 9.908 1.00 0.00 C ATOM 753 O LEU A 51 -5.102 -11.505 9.722 1.00 0.00 O ATOM 754 CB LEU A 51 -7.636 -10.814 7.882 1.00 0.00 C ATOM 755 CG LEU A 51 -8.761 -11.413 7.036 1.00 0.00 C ATOM 756 CD1 LEU A 51 -9.019 -10.555 5.807 1.00 0.00 C ATOM 757 CD2 LEU A 51 -8.421 -12.839 6.630 1.00 0.00 C ATOM 0 H LEU A 51 -9.215 -10.411 9.754 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.382 -12.527 9.156 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.825 -9.748 8.008 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.699 -10.909 7.333 1.00 0.00 H new ATOM 0 HG LEU A 51 -9.670 -11.434 7.637 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.822 -10.996 5.217 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.307 -9.551 6.118 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.113 -10.502 5.204 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.232 -13.249 6.029 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.500 -12.842 6.047 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.287 -13.449 7.523 1.00 0.00 H new ATOM 769 N THR A 52 -6.292 -9.845 10.665 1.00 0.00 N ATOM 770 CA THR A 52 -5.141 -9.252 11.337 1.00 0.00 C ATOM 771 C THR A 52 -4.482 -10.255 12.279 1.00 0.00 C ATOM 772 O THR A 52 -3.271 -10.212 12.499 1.00 0.00 O ATOM 773 CB THR A 52 -5.563 -8.005 12.114 1.00 0.00 C ATOM 774 OG1 THR A 52 -6.328 -7.139 11.296 1.00 0.00 O ATOM 775 CG2 THR A 52 -4.393 -7.212 12.655 1.00 0.00 C ATOM 0 H THR A 52 -7.173 -9.358 10.829 1.00 0.00 H new ATOM 0 HA THR A 52 -4.415 -8.968 10.575 1.00 0.00 H new ATOM 0 HB THR A 52 -6.150 -8.374 12.955 1.00 0.00 H new ATOM 0 HG1 THR A 52 -7.226 -7.513 11.174 1.00 0.00 H new ATOM 0 HG21 THR A 52 -4.763 -6.341 13.195 1.00 0.00 H new ATOM 0 HG22 THR A 52 -3.811 -7.838 13.331 1.00 0.00 H new ATOM 0 HG23 THR A 52 -3.762 -6.885 11.829 1.00 0.00 H new ATOM 783 N ARG A 53 -5.286 -11.155 12.834 1.00 0.00 N ATOM 784 CA ARG A 53 -4.781 -12.168 13.753 1.00 0.00 C ATOM 785 C ARG A 53 -4.087 -13.295 12.993 1.00 0.00 C ATOM 786 O ARG A 53 -2.978 -13.700 13.340 1.00 0.00 O ATOM 787 CB ARG A 53 -5.922 -12.734 14.599 1.00 0.00 C ATOM 788 CG ARG A 53 -6.785 -11.665 15.250 1.00 0.00 C ATOM 789 CD ARG A 53 -6.000 -10.858 16.272 1.00 0.00 C ATOM 790 NE ARG A 53 -5.816 -9.471 15.849 1.00 0.00 N ATOM 791 CZ ARG A 53 -4.959 -8.630 16.424 1.00 0.00 C ATOM 792 NH1 ARG A 53 -4.208 -9.029 17.442 1.00 0.00 N ATOM 793 NH2 ARG A 53 -4.854 -7.386 15.978 1.00 0.00 N ATOM 0 H ARG A 53 -6.290 -11.204 12.663 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.052 -11.695 14.410 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.551 -13.364 13.970 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.504 -13.375 15.376 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -7.179 -10.998 14.483 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.641 -12.133 15.735 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.522 -10.879 17.229 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -5.026 -11.321 16.429 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.376 -9.128 15.069 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.285 -9.985 17.789 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -3.553 -8.380 17.878 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -5.429 -7.075 15.195 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.198 -6.740 16.417 1.00 0.00 H new ATOM 807 N LEU A 54 -4.749 -13.795 11.955 1.00 0.00 N ATOM 808 CA LEU A 54 -4.195 -14.875 11.145 1.00 0.00 C ATOM 809 C LEU A 54 -2.950 -14.409 10.398 1.00 0.00 C ATOM 810 O LEU A 54 -2.032 -15.191 10.154 1.00 0.00 O ATOM 811 CB LEU A 54 -5.242 -15.381 10.151 1.00 0.00 C ATOM 812 CG LEU A 54 -4.877 -16.682 9.434 1.00 0.00 C ATOM 813 CD1 LEU A 54 -4.910 -17.853 10.404 1.00 0.00 C ATOM 814 CD2 LEU A 54 -5.820 -16.929 8.267 1.00 0.00 C ATOM 0 H LEU A 54 -5.668 -13.471 11.655 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.913 -15.690 11.811 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.183 -15.527 10.681 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.414 -14.607 9.403 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.864 -16.588 9.044 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.648 -18.770 9.876 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.195 -17.680 11.208 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.911 -17.950 10.824 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.546 -17.859 7.768 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.843 -17.003 8.635 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.748 -16.103 7.560 1.00 0.00 H new ATOM 826 N LEU A 55 -2.927 -13.130 10.039 1.00 0.00 N ATOM 827 CA LEU A 55 -1.794 -12.558 9.320 1.00 0.00 C ATOM 828 C LEU A 55 -0.540 -12.565 10.186 1.00 0.00 C ATOM 829 O LEU A 55 0.554 -12.871 9.710 1.00 0.00 O ATOM 830 CB LEU A 55 -2.115 -11.129 8.877 1.00 0.00 C ATOM 831 CG LEU A 55 -3.098 -11.019 7.711 1.00 0.00 C ATOM 832 CD1 LEU A 55 -3.729 -9.635 7.674 1.00 0.00 C ATOM 833 CD2 LEU A 55 -2.398 -11.324 6.396 1.00 0.00 C ATOM 0 H LEU A 55 -3.680 -12.470 10.234 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.607 -13.172 8.439 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.522 -10.584 9.728 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.185 -10.634 8.597 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.891 -11.753 7.857 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.426 -9.575 6.838 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.264 -9.454 8.606 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.950 -8.883 7.552 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.112 -11.241 5.576 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.586 -10.614 6.243 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.994 -12.336 6.425 1.00 0.00 H new ATOM 845 N ALA A 56 -0.704 -12.224 11.460 1.00 0.00 N ATOM 846 CA ALA A 56 0.416 -12.192 12.393 1.00 0.00 C ATOM 847 C ALA A 56 1.090 -13.556 12.491 1.00 0.00 C ATOM 848 O ALA A 56 2.310 -13.649 12.630 1.00 0.00 O ATOM 849 CB ALA A 56 -0.054 -11.733 13.765 1.00 0.00 C ATOM 0 H ALA A 56 -1.602 -11.966 11.870 1.00 0.00 H new ATOM 0 HA ALA A 56 1.151 -11.481 12.016 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.792 -11.714 14.452 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.481 -10.733 13.688 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.810 -12.423 14.140 1.00 0.00 H new ATOM 855 N ARG A 57 0.288 -14.612 12.417 1.00 0.00 N ATOM 856 CA ARG A 57 0.806 -15.973 12.497 1.00 0.00 C ATOM 857 C ARG A 57 1.483 -16.374 11.191 1.00 0.00 C ATOM 858 O ARG A 57 2.524 -17.032 11.196 1.00 0.00 O ATOM 859 CB ARG A 57 -0.323 -16.953 12.822 1.00 0.00 C ATOM 860 CG ARG A 57 0.129 -18.155 13.633 1.00 0.00 C ATOM 861 CD ARG A 57 -1.043 -19.045 14.014 1.00 0.00 C ATOM 862 NE ARG A 57 -1.872 -18.442 15.055 1.00 0.00 N ATOM 863 CZ ARG A 57 -1.555 -18.443 16.348 1.00 0.00 C ATOM 864 NH1 ARG A 57 -0.429 -19.013 16.762 1.00 0.00 N ATOM 865 NH2 ARG A 57 -2.366 -17.873 17.230 1.00 0.00 N ATOM 0 H ARG A 57 -0.724 -14.552 12.302 1.00 0.00 H new ATOM 0 HA ARG A 57 1.547 -16.007 13.295 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -1.103 -16.426 13.372 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.770 -17.301 11.891 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.853 -18.732 13.057 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.637 -17.816 14.535 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -1.653 -19.239 13.132 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -0.669 -20.008 14.361 1.00 0.00 H new ATOM 0 HE ARG A 57 -2.745 -17.994 14.775 1.00 0.00 H new ATOM 0 HH11 ARG A 57 0.198 -19.453 16.088 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -0.191 -19.011 17.754 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -3.232 -17.434 16.917 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -2.123 -17.874 18.221 1.00 0.00 H new ATOM 879 N MET A 58 0.886 -15.973 10.073 1.00 0.00 N ATOM 880 CA MET A 58 1.433 -16.291 8.759 1.00 0.00 C ATOM 881 C MET A 58 2.812 -15.666 8.577 1.00 0.00 C ATOM 882 O MET A 58 3.678 -16.234 7.912 1.00 0.00 O ATOM 883 CB MET A 58 0.489 -15.800 7.660 1.00 0.00 C ATOM 884 CG MET A 58 -0.730 -16.688 7.464 1.00 0.00 C ATOM 885 SD MET A 58 -1.287 -16.734 5.750 1.00 0.00 S ATOM 886 CE MET A 58 -1.457 -14.986 5.401 1.00 0.00 C ATOM 0 H MET A 58 0.024 -15.428 10.051 1.00 0.00 H new ATOM 0 HA MET A 58 1.533 -17.374 8.687 1.00 0.00 H new ATOM 0 HB2 MET A 58 0.158 -14.790 7.902 1.00 0.00 H new ATOM 0 HB3 MET A 58 1.039 -15.739 6.721 1.00 0.00 H new ATOM 0 HG2 MET A 58 -0.494 -17.700 7.793 1.00 0.00 H new ATOM 0 HG3 MET A 58 -1.542 -16.329 8.096 1.00 0.00 H new ATOM 0 HE1 MET A 58 -2.140 -14.847 4.563 1.00 0.00 H new ATOM 0 HE2 MET A 58 -1.853 -14.476 6.280 1.00 0.00 H new ATOM 0 HE3 MET A 58 -0.482 -14.569 5.148 1.00 0.00 H new ATOM 896 N TRP A 59 3.009 -14.495 9.174 1.00 0.00 N ATOM 897 CA TRP A 59 4.284 -13.795 9.078 1.00 0.00 C ATOM 898 C TRP A 59 5.400 -14.604 9.730 1.00 0.00 C ATOM 899 O TRP A 59 6.524 -14.647 9.228 1.00 0.00 O ATOM 900 CB TRP A 59 4.185 -12.418 9.740 1.00 0.00 C ATOM 901 CG TRP A 59 5.428 -11.595 9.589 1.00 0.00 C ATOM 902 CD1 TRP A 59 6.256 -11.169 10.587 1.00 0.00 C ATOM 903 CD2 TRP A 59 5.982 -11.096 8.366 1.00 0.00 C ATOM 904 NE1 TRP A 59 7.293 -10.437 10.060 1.00 0.00 N ATOM 905 CE2 TRP A 59 7.146 -10.378 8.699 1.00 0.00 C ATOM 906 CE3 TRP A 59 5.608 -11.188 7.022 1.00 0.00 C ATOM 907 CZ2 TRP A 59 7.938 -9.756 7.736 1.00 0.00 C ATOM 908 CZ3 TRP A 59 6.395 -10.570 6.069 1.00 0.00 C ATOM 909 CH2 TRP A 59 7.549 -9.862 6.430 1.00 0.00 C ATOM 0 H TRP A 59 2.303 -14.012 9.729 1.00 0.00 H new ATOM 0 HA TRP A 59 4.521 -13.668 8.022 1.00 0.00 H new ATOM 0 HB2 TRP A 59 3.344 -11.875 9.309 1.00 0.00 H new ATOM 0 HB3 TRP A 59 3.970 -12.548 10.801 1.00 0.00 H new ATOM 0 HD1 TRP A 59 6.117 -11.377 11.638 1.00 0.00 H new ATOM 0 HE1 TRP A 59 8.048 -10.008 10.595 1.00 0.00 H new ATOM 0 HE3 TRP A 59 4.721 -11.732 6.734 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 8.828 -9.209 8.012 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 6.116 -10.634 5.028 1.00 0.00 H new ATOM 0 HH2 TRP A 59 8.143 -9.391 5.661 1.00 0.00 H new ATOM 920 N ASN A 60 5.083 -15.247 10.849 1.00 0.00 N ATOM 921 CA ASN A 60 6.059 -16.056 11.570 1.00 0.00 C ATOM 922 C ASN A 60 6.384 -17.330 10.798 1.00 0.00 C ATOM 923 O ASN A 60 7.517 -17.811 10.823 1.00 0.00 O ATOM 924 CB ASN A 60 5.530 -16.410 12.962 1.00 0.00 C ATOM 925 CG ASN A 60 5.079 -15.188 13.737 1.00 0.00 C ATOM 926 OD1 ASN A 60 5.712 -14.133 13.679 1.00 0.00 O ATOM 927 ND2 ASN A 60 3.981 -15.323 14.471 1.00 0.00 N ATOM 0 H ASN A 60 4.157 -15.224 11.276 1.00 0.00 H new ATOM 0 HA ASN A 60 6.973 -15.472 11.674 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.695 -17.104 12.865 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.309 -16.926 13.523 1.00 0.00 H new ATOM 0 HD21 ASN A 60 3.631 -14.534 15.015 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.487 -16.215 14.490 1.00 0.00 H new ATOM 934 N ASP A 61 5.382 -17.872 10.113 1.00 0.00 N ATOM 935 CA ASP A 61 5.561 -19.091 9.333 1.00 0.00 C ATOM 936 C ASP A 61 6.525 -18.860 8.172 1.00 0.00 C ATOM 937 O ASP A 61 7.218 -19.780 7.736 1.00 0.00 O ATOM 938 CB ASP A 61 4.213 -19.584 8.802 1.00 0.00 C ATOM 939 CG ASP A 61 3.592 -20.640 9.696 1.00 0.00 C ATOM 940 OD1 ASP A 61 4.350 -21.425 10.303 1.00 0.00 O ATOM 941 OD2 ASP A 61 2.347 -20.682 9.788 1.00 0.00 O ATOM 0 H ASP A 61 4.438 -17.486 10.082 1.00 0.00 H new ATOM 0 HA ASP A 61 5.986 -19.852 9.988 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.530 -18.740 8.713 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.347 -19.993 7.800 1.00 0.00 H new ATOM 946 N LEU A 62 6.564 -17.628 7.676 1.00 0.00 N ATOM 947 CA LEU A 62 7.443 -17.277 6.566 1.00 0.00 C ATOM 948 C LEU A 62 8.901 -17.557 6.917 1.00 0.00 C ATOM 949 O LEU A 62 9.216 -17.947 8.040 1.00 0.00 O ATOM 950 CB LEU A 62 7.269 -15.802 6.196 1.00 0.00 C ATOM 951 CG LEU A 62 6.021 -15.484 5.373 1.00 0.00 C ATOM 952 CD1 LEU A 62 5.983 -14.008 5.012 1.00 0.00 C ATOM 953 CD2 LEU A 62 5.977 -16.344 4.119 1.00 0.00 C ATOM 0 H LEU A 62 5.997 -16.855 8.025 1.00 0.00 H new ATOM 0 HA LEU A 62 7.169 -17.894 5.710 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.240 -15.214 7.113 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.147 -15.477 5.637 1.00 0.00 H new ATOM 0 HG LEU A 62 5.142 -15.712 5.976 1.00 0.00 H new ATOM 0 HD11 LEU A 62 5.088 -13.800 4.426 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.967 -13.411 5.924 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.867 -13.754 4.427 1.00 0.00 H new ATOM 0 HD21 LEU A 62 5.082 -16.105 3.545 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.861 -16.148 3.512 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.957 -17.397 4.400 1.00 0.00 H new ATOM 965 N SER A 63 9.786 -17.355 5.946 1.00 0.00 N ATOM 966 CA SER A 63 11.212 -17.585 6.150 1.00 0.00 C ATOM 967 C SER A 63 12.013 -16.316 5.881 1.00 0.00 C ATOM 968 O SER A 63 11.489 -15.342 5.342 1.00 0.00 O ATOM 969 CB SER A 63 11.703 -18.714 5.242 1.00 0.00 C ATOM 970 OG SER A 63 11.081 -19.944 5.574 1.00 0.00 O ATOM 0 H SER A 63 9.541 -17.032 5.010 1.00 0.00 H new ATOM 0 HA SER A 63 11.362 -17.873 7.190 1.00 0.00 H new ATOM 0 HB2 SER A 63 11.492 -18.466 4.202 1.00 0.00 H new ATOM 0 HB3 SER A 63 12.785 -18.814 5.333 1.00 0.00 H new ATOM 0 HG SER A 63 11.411 -20.649 4.978 1.00 0.00 H new ATOM 976 N GLU A 64 13.287 -16.335 6.259 1.00 0.00 N ATOM 977 CA GLU A 64 14.161 -15.185 6.058 1.00 0.00 C ATOM 978 C GLU A 64 14.296 -14.858 4.573 1.00 0.00 C ATOM 979 O GLU A 64 14.471 -13.699 4.196 1.00 0.00 O ATOM 980 CB GLU A 64 15.541 -15.454 6.660 1.00 0.00 C ATOM 981 CG GLU A 64 16.448 -14.235 6.674 1.00 0.00 C ATOM 982 CD GLU A 64 17.905 -14.595 6.881 1.00 0.00 C ATOM 983 OE1 GLU A 64 18.176 -15.642 7.506 1.00 0.00 O ATOM 984 OE2 GLU A 64 18.777 -13.828 6.419 1.00 0.00 O ATOM 0 H GLU A 64 13.737 -17.134 6.706 1.00 0.00 H new ATOM 0 HA GLU A 64 13.714 -14.328 6.562 1.00 0.00 H new ATOM 0 HB2 GLU A 64 15.418 -15.817 7.681 1.00 0.00 H new ATOM 0 HB3 GLU A 64 16.026 -16.250 6.095 1.00 0.00 H new ATOM 0 HG2 GLU A 64 16.341 -13.696 5.732 1.00 0.00 H new ATOM 0 HG3 GLU A 64 16.129 -13.558 7.467 1.00 0.00 H new ATOM 991 N LYS A 65 14.214 -15.887 3.737 1.00 0.00 N ATOM 992 CA LYS A 65 14.327 -15.710 2.293 1.00 0.00 C ATOM 993 C LYS A 65 13.061 -15.080 1.721 1.00 0.00 C ATOM 994 O LYS A 65 13.127 -14.174 0.891 1.00 0.00 O ATOM 995 CB LYS A 65 14.594 -17.053 1.613 1.00 0.00 C ATOM 996 CG LYS A 65 15.985 -17.606 1.881 1.00 0.00 C ATOM 997 CD LYS A 65 15.929 -18.969 2.552 1.00 0.00 C ATOM 998 CE LYS A 65 17.321 -19.507 2.839 1.00 0.00 C ATOM 999 NZ LYS A 65 17.285 -20.685 3.750 1.00 0.00 N ATOM 0 H LYS A 65 14.070 -16.852 4.034 1.00 0.00 H new ATOM 0 HA LYS A 65 15.164 -15.040 2.099 1.00 0.00 H new ATOM 0 HB2 LYS A 65 13.853 -17.776 1.953 1.00 0.00 H new ATOM 0 HB3 LYS A 65 14.458 -16.939 0.537 1.00 0.00 H new ATOM 0 HG2 LYS A 65 16.532 -17.685 0.942 1.00 0.00 H new ATOM 0 HG3 LYS A 65 16.537 -16.911 2.514 1.00 0.00 H new ATOM 0 HD2 LYS A 65 15.368 -18.894 3.483 1.00 0.00 H new ATOM 0 HD3 LYS A 65 15.392 -19.669 1.912 1.00 0.00 H new ATOM 0 HE2 LYS A 65 17.802 -19.787 1.902 1.00 0.00 H new ATOM 0 HE3 LYS A 65 17.929 -18.721 3.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 18.254 -21.022 3.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 16.849 -20.412 4.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 16.726 -21.445 3.312 1.00 0.00 H new ATOM 1013 N LYS A 66 11.909 -15.567 2.171 1.00 0.00 N ATOM 1014 CA LYS A 66 10.627 -15.052 1.704 1.00 0.00 C ATOM 1015 C LYS A 66 10.366 -13.655 2.259 1.00 0.00 C ATOM 1016 O LYS A 66 9.846 -12.786 1.561 1.00 0.00 O ATOM 1017 CB LYS A 66 9.495 -15.995 2.114 1.00 0.00 C ATOM 1018 CG LYS A 66 9.654 -17.408 1.575 1.00 0.00 C ATOM 1019 CD LYS A 66 8.336 -18.164 1.598 1.00 0.00 C ATOM 1020 CE LYS A 66 8.557 -19.664 1.713 1.00 0.00 C ATOM 1021 NZ LYS A 66 7.534 -20.435 0.954 1.00 0.00 N ATOM 0 H LYS A 66 11.837 -16.317 2.858 1.00 0.00 H new ATOM 0 HA LYS A 66 10.664 -14.990 0.616 1.00 0.00 H new ATOM 0 HB2 LYS A 66 9.442 -16.034 3.202 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.548 -15.586 1.763 1.00 0.00 H new ATOM 0 HG2 LYS A 66 10.034 -17.369 0.554 1.00 0.00 H new ATOM 0 HG3 LYS A 66 10.393 -17.945 2.170 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.732 -17.819 2.437 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.774 -17.946 0.690 1.00 0.00 H new ATOM 0 HE2 LYS A 66 9.550 -19.914 1.341 1.00 0.00 H new ATOM 0 HE3 LYS A 66 8.527 -19.956 2.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 7.719 -21.453 1.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.588 -20.216 1.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.579 -20.175 -0.052 1.00 0.00 H new ATOM 1035 N LYS A 67 10.730 -13.447 3.520 1.00 0.00 N ATOM 1036 CA LYS A 67 10.533 -12.157 4.171 1.00 0.00 C ATOM 1037 C LYS A 67 11.356 -11.069 3.486 1.00 0.00 C ATOM 1038 O LYS A 67 10.986 -9.894 3.505 1.00 0.00 O ATOM 1039 CB LYS A 67 10.914 -12.245 5.650 1.00 0.00 C ATOM 1040 CG LYS A 67 9.757 -12.647 6.551 1.00 0.00 C ATOM 1041 CD LYS A 67 10.145 -13.783 7.484 1.00 0.00 C ATOM 1042 CE LYS A 67 9.459 -13.652 8.835 1.00 0.00 C ATOM 1043 NZ LYS A 67 9.673 -14.856 9.686 1.00 0.00 N ATOM 0 H LYS A 67 11.163 -14.156 4.112 1.00 0.00 H new ATOM 0 HA LYS A 67 9.478 -11.895 4.089 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.723 -12.967 5.766 1.00 0.00 H new ATOM 0 HB3 LYS A 67 11.299 -11.279 5.976 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.436 -11.787 7.138 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.907 -12.951 5.940 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.877 -14.737 7.029 1.00 0.00 H new ATOM 0 HD3 LYS A 67 11.226 -13.789 7.622 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.839 -12.770 9.351 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.390 -13.498 8.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 9.190 -14.727 10.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 9.288 -15.694 9.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 10.691 -14.989 9.850 1.00 0.00 H new ATOM 1057 N ALA A 68 12.471 -11.465 2.881 1.00 0.00 N ATOM 1058 CA ALA A 68 13.345 -10.522 2.191 1.00 0.00 C ATOM 1059 C ALA A 68 12.587 -9.758 1.109 1.00 0.00 C ATOM 1060 O ALA A 68 12.915 -8.613 0.799 1.00 0.00 O ATOM 1061 CB ALA A 68 14.536 -11.251 1.589 1.00 0.00 C ATOM 0 H ALA A 68 12.791 -12.433 2.854 1.00 0.00 H new ATOM 0 HA ALA A 68 13.706 -9.799 2.922 1.00 0.00 H new ATOM 0 HB1 ALA A 68 15.180 -10.536 1.077 1.00 0.00 H new ATOM 0 HB2 ALA A 68 15.099 -11.744 2.381 1.00 0.00 H new ATOM 0 HB3 ALA A 68 14.184 -11.997 0.876 1.00 0.00 H new ATOM 1067 N LYS A 69 11.572 -10.400 0.539 1.00 0.00 N ATOM 1068 CA LYS A 69 10.767 -9.781 -0.509 1.00 0.00 C ATOM 1069 C LYS A 69 10.097 -8.508 -0.001 1.00 0.00 C ATOM 1070 O LYS A 69 10.145 -7.466 -0.654 1.00 0.00 O ATOM 1071 CB LYS A 69 9.708 -10.762 -1.015 1.00 0.00 C ATOM 1072 CG LYS A 69 10.284 -12.081 -1.500 1.00 0.00 C ATOM 1073 CD LYS A 69 9.186 -13.075 -1.847 1.00 0.00 C ATOM 1074 CE LYS A 69 8.911 -13.103 -3.343 1.00 0.00 C ATOM 1075 NZ LYS A 69 8.779 -14.495 -3.856 1.00 0.00 N ATOM 0 H LYS A 69 11.287 -11.348 0.785 1.00 0.00 H new ATOM 0 HA LYS A 69 11.430 -9.517 -1.333 1.00 0.00 H new ATOM 0 HB2 LYS A 69 8.995 -10.959 -0.214 1.00 0.00 H new ATOM 0 HB3 LYS A 69 9.153 -10.296 -1.829 1.00 0.00 H new ATOM 0 HG2 LYS A 69 10.908 -11.906 -2.376 1.00 0.00 H new ATOM 0 HG3 LYS A 69 10.928 -12.503 -0.729 1.00 0.00 H new ATOM 0 HD2 LYS A 69 9.476 -14.071 -1.511 1.00 0.00 H new ATOM 0 HD3 LYS A 69 8.273 -12.811 -1.313 1.00 0.00 H new ATOM 0 HE2 LYS A 69 7.996 -12.550 -3.555 1.00 0.00 H new ATOM 0 HE3 LYS A 69 9.719 -12.596 -3.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 8.592 -14.472 -4.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 9.661 -15.016 -3.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 7.991 -14.971 -3.371 1.00 0.00 H new ATOM 1089 N TYR A 70 9.474 -8.600 1.170 1.00 0.00 N ATOM 1090 CA TYR A 70 8.794 -7.456 1.766 1.00 0.00 C ATOM 1091 C TYR A 70 9.781 -6.563 2.511 1.00 0.00 C ATOM 1092 O TYR A 70 9.601 -5.348 2.586 1.00 0.00 O ATOM 1093 CB TYR A 70 7.695 -7.927 2.720 1.00 0.00 C ATOM 1094 CG TYR A 70 6.828 -9.029 2.152 1.00 0.00 C ATOM 1095 CD1 TYR A 70 5.861 -8.752 1.193 1.00 0.00 C ATOM 1096 CD2 TYR A 70 6.978 -10.344 2.573 1.00 0.00 C ATOM 1097 CE1 TYR A 70 5.067 -9.755 0.671 1.00 0.00 C ATOM 1098 CE2 TYR A 70 6.188 -11.353 2.055 1.00 0.00 C ATOM 1099 CZ TYR A 70 5.234 -11.054 1.105 1.00 0.00 C ATOM 1100 OH TYR A 70 4.446 -12.056 0.587 1.00 0.00 O ATOM 0 H TYR A 70 9.426 -9.455 1.724 1.00 0.00 H new ATOM 0 HA TYR A 70 8.342 -6.876 0.961 1.00 0.00 H new ATOM 0 HB2 TYR A 70 8.154 -8.278 3.644 1.00 0.00 H new ATOM 0 HB3 TYR A 70 7.063 -7.078 2.980 1.00 0.00 H new ATOM 0 HD1 TYR A 70 5.728 -7.736 0.850 1.00 0.00 H new ATOM 0 HD2 TYR A 70 7.724 -10.582 3.317 1.00 0.00 H new ATOM 0 HE1 TYR A 70 4.319 -9.523 -0.073 1.00 0.00 H new ATOM 0 HE2 TYR A 70 6.317 -12.371 2.393 1.00 0.00 H new ATOM 0 HH TYR A 70 4.692 -12.911 0.998 1.00 0.00 H new ATOM 1110 N LYS A 71 10.824 -7.176 3.064 1.00 0.00 N ATOM 1111 CA LYS A 71 11.839 -6.436 3.804 1.00 0.00 C ATOM 1112 C LYS A 71 12.569 -5.452 2.894 1.00 0.00 C ATOM 1113 O LYS A 71 13.006 -4.390 3.336 1.00 0.00 O ATOM 1114 CB LYS A 71 12.841 -7.403 4.441 1.00 0.00 C ATOM 1115 CG LYS A 71 12.671 -7.550 5.945 1.00 0.00 C ATOM 1116 CD LYS A 71 13.579 -8.633 6.505 1.00 0.00 C ATOM 1117 CE LYS A 71 12.913 -9.381 7.648 1.00 0.00 C ATOM 1118 NZ LYS A 71 13.840 -10.351 8.292 1.00 0.00 N ATOM 0 H LYS A 71 10.987 -8.182 3.013 1.00 0.00 H new ATOM 0 HA LYS A 71 11.340 -5.871 4.591 1.00 0.00 H new ATOM 0 HB2 LYS A 71 12.736 -8.382 3.974 1.00 0.00 H new ATOM 0 HB3 LYS A 71 13.853 -7.056 4.230 1.00 0.00 H new ATOM 0 HG2 LYS A 71 12.893 -6.600 6.432 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.633 -7.790 6.173 1.00 0.00 H new ATOM 0 HD2 LYS A 71 13.841 -9.335 5.713 1.00 0.00 H new ATOM 0 HD3 LYS A 71 14.509 -8.185 6.855 1.00 0.00 H new ATOM 0 HE2 LYS A 71 12.560 -8.667 8.392 1.00 0.00 H new ATOM 0 HE3 LYS A 71 12.037 -9.910 7.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 13.347 -10.840 9.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 14.157 -11.048 7.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 14.664 -9.843 8.672 1.00 0.00 H new ATOM 1132 N ALA A 72 12.694 -5.811 1.620 1.00 0.00 N ATOM 1133 CA ALA A 72 13.370 -4.959 0.649 1.00 0.00 C ATOM 1134 C ALA A 72 12.520 -3.741 0.303 1.00 0.00 C ATOM 1135 O ALA A 72 13.019 -2.617 0.253 1.00 0.00 O ATOM 1136 CB ALA A 72 13.699 -5.750 -0.608 1.00 0.00 C ATOM 0 H ALA A 72 12.336 -6.686 1.237 1.00 0.00 H new ATOM 0 HA ALA A 72 14.299 -4.606 1.096 1.00 0.00 H new ATOM 0 HB1 ALA A 72 14.203 -5.102 -1.324 1.00 0.00 H new ATOM 0 HB2 ALA A 72 14.351 -6.585 -0.352 1.00 0.00 H new ATOM 0 HB3 ALA A 72 12.778 -6.131 -1.049 1.00 0.00 H new ATOM 1142 N ARG A 73 11.233 -3.973 0.065 1.00 0.00 N ATOM 1143 CA ARG A 73 10.311 -2.896 -0.276 1.00 0.00 C ATOM 1144 C ARG A 73 10.204 -1.887 0.864 1.00 0.00 C ATOM 1145 O ARG A 73 9.934 -0.707 0.638 1.00 0.00 O ATOM 1146 CB ARG A 73 8.928 -3.463 -0.600 1.00 0.00 C ATOM 1147 CG ARG A 73 8.873 -4.216 -1.918 1.00 0.00 C ATOM 1148 CD ARG A 73 7.868 -5.357 -1.867 1.00 0.00 C ATOM 1149 NE ARG A 73 8.189 -6.413 -2.824 1.00 0.00 N ATOM 1150 CZ ARG A 73 7.467 -7.522 -2.974 1.00 0.00 C ATOM 1151 NH1 ARG A 73 6.385 -7.723 -2.232 1.00 0.00 N ATOM 1152 NH2 ARG A 73 7.827 -8.433 -3.867 1.00 0.00 N ATOM 0 H ARG A 73 10.805 -4.898 0.102 1.00 0.00 H new ATOM 0 HA ARG A 73 10.702 -2.384 -1.155 1.00 0.00 H new ATOM 0 HB2 ARG A 73 8.621 -4.132 0.204 1.00 0.00 H new ATOM 0 HB3 ARG A 73 8.207 -2.646 -0.628 1.00 0.00 H new ATOM 0 HG2 ARG A 73 8.604 -3.529 -2.720 1.00 0.00 H new ATOM 0 HG3 ARG A 73 9.861 -4.611 -2.154 1.00 0.00 H new ATOM 0 HD2 ARG A 73 7.845 -5.775 -0.861 1.00 0.00 H new ATOM 0 HD3 ARG A 73 6.870 -4.971 -2.075 1.00 0.00 H new ATOM 0 HE ARG A 73 9.014 -6.294 -3.412 1.00 0.00 H new ATOM 0 HH11 ARG A 73 6.103 -7.026 -1.543 1.00 0.00 H new ATOM 0 HH12 ARG A 73 5.836 -8.574 -2.351 1.00 0.00 H new ATOM 0 HH21 ARG A 73 8.658 -8.285 -4.440 1.00 0.00 H new ATOM 0 HH22 ARG A 73 7.273 -9.282 -3.981 1.00 0.00 H new ATOM 1166 N GLU A 74 10.417 -2.359 2.089 1.00 0.00 N ATOM 1167 CA GLU A 74 10.342 -1.499 3.265 1.00 0.00 C ATOM 1168 C GLU A 74 11.316 -0.330 3.154 1.00 0.00 C ATOM 1169 O GLU A 74 10.993 0.797 3.528 1.00 0.00 O ATOM 1170 CB GLU A 74 10.641 -2.307 4.530 1.00 0.00 C ATOM 1171 CG GLU A 74 10.556 -1.489 5.810 1.00 0.00 C ATOM 1172 CD GLU A 74 11.727 -1.736 6.740 1.00 0.00 C ATOM 1173 OE1 GLU A 74 12.864 -1.371 6.372 1.00 0.00 O ATOM 1174 OE2 GLU A 74 11.509 -2.293 7.836 1.00 0.00 O ATOM 0 H GLU A 74 10.643 -3.333 2.293 1.00 0.00 H new ATOM 0 HA GLU A 74 9.330 -1.098 3.325 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.940 -3.139 4.593 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.639 -2.737 4.449 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.515 -0.429 5.557 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.628 -1.729 6.329 1.00 0.00 H new ATOM 1181 N ALA A 75 12.509 -0.605 2.637 1.00 0.00 N ATOM 1182 CA ALA A 75 13.528 0.425 2.478 1.00 0.00 C ATOM 1183 C ALA A 75 13.031 1.558 1.586 1.00 0.00 C ATOM 1184 O ALA A 75 13.420 2.713 1.758 1.00 0.00 O ATOM 1185 CB ALA A 75 14.804 -0.177 1.906 1.00 0.00 C ATOM 0 H ALA A 75 12.793 -1.532 2.321 1.00 0.00 H new ATOM 0 HA ALA A 75 13.744 0.840 3.462 1.00 0.00 H new ATOM 0 HB1 ALA A 75 15.556 0.604 1.793 1.00 0.00 H new ATOM 0 HB2 ALA A 75 15.178 -0.946 2.582 1.00 0.00 H new ATOM 0 HB3 ALA A 75 14.593 -0.621 0.933 1.00 0.00 H new ATOM 1191 N ALA A 76 12.168 1.220 0.634 1.00 0.00 N ATOM 1192 CA ALA A 76 11.618 2.209 -0.285 1.00 0.00 C ATOM 1193 C ALA A 76 10.279 2.739 0.215 1.00 0.00 C ATOM 1194 O ALA A 76 9.918 3.887 -0.047 1.00 0.00 O ATOM 1195 CB ALA A 76 11.466 1.608 -1.674 1.00 0.00 C ATOM 0 H ALA A 76 11.834 0.269 0.479 1.00 0.00 H new ATOM 0 HA ALA A 76 12.312 3.048 -0.337 1.00 0.00 H new ATOM 0 HB1 ALA A 76 11.054 2.356 -2.351 1.00 0.00 H new ATOM 0 HB2 ALA A 76 12.441 1.285 -2.039 1.00 0.00 H new ATOM 0 HB3 ALA A 76 10.794 0.751 -1.628 1.00 0.00 H new ATOM 1201 N LEU A 77 9.545 1.897 0.934 1.00 0.00 N ATOM 1202 CA LEU A 77 8.245 2.282 1.469 1.00 0.00 C ATOM 1203 C LEU A 77 8.399 3.261 2.630 1.00 0.00 C ATOM 1204 O LEU A 77 7.594 4.178 2.791 1.00 0.00 O ATOM 1205 CB LEU A 77 7.473 1.044 1.929 1.00 0.00 C ATOM 1206 CG LEU A 77 6.879 0.196 0.804 1.00 0.00 C ATOM 1207 CD1 LEU A 77 6.508 -1.187 1.316 1.00 0.00 C ATOM 1208 CD2 LEU A 77 5.664 0.886 0.202 1.00 0.00 C ATOM 0 H LEU A 77 9.828 0.943 1.160 1.00 0.00 H new ATOM 0 HA LEU A 77 7.686 2.777 0.674 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.140 0.418 2.522 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.666 1.362 2.588 1.00 0.00 H new ATOM 0 HG LEU A 77 7.632 0.082 0.024 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.087 -1.776 0.501 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.399 -1.684 1.700 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.772 -1.094 2.114 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.254 0.269 -0.597 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.908 1.030 0.974 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.959 1.854 -0.202 1.00 0.00 H new ATOM 1220 N LYS A 78 9.436 3.058 3.435 1.00 0.00 N ATOM 1221 CA LYS A 78 9.693 3.925 4.580 1.00 0.00 C ATOM 1222 C LYS A 78 10.028 5.343 4.126 1.00 0.00 C ATOM 1223 O LYS A 78 9.740 6.314 4.826 1.00 0.00 O ATOM 1224 CB LYS A 78 10.838 3.363 5.425 1.00 0.00 C ATOM 1225 CG LYS A 78 10.621 3.517 6.922 1.00 0.00 C ATOM 1226 CD LYS A 78 11.576 4.536 7.525 1.00 0.00 C ATOM 1227 CE LYS A 78 12.726 3.861 8.254 1.00 0.00 C ATOM 1228 NZ LYS A 78 14.005 4.605 8.081 1.00 0.00 N ATOM 0 H LYS A 78 10.111 2.303 3.317 1.00 0.00 H new ATOM 0 HA LYS A 78 8.788 3.962 5.186 1.00 0.00 H new ATOM 0 HB2 LYS A 78 10.966 2.306 5.192 1.00 0.00 H new ATOM 0 HB3 LYS A 78 11.764 3.865 5.147 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.593 3.825 7.111 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.760 2.553 7.411 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.970 5.177 6.737 1.00 0.00 H new ATOM 0 HD3 LYS A 78 11.033 5.179 8.217 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.490 3.787 9.315 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.845 2.843 7.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 14.765 4.113 8.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 14.244 4.654 7.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 13.900 5.568 8.459 1.00 0.00 H new