USER MOD reduce.3.24.130724 H: found=0, std=0, add=483, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 485 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 46 TYR OH : rot -47:sc= 0.892 USER MOD Set 1.2: A 70 THR OG1 : rot -127:sc= 1.1 USER MOD Single : A 32 LYS NZ :NH3+ 126:sc= -1.92! (180deg=-3.42!) USER MOD Single : A 49 MET CE :methyl -167:sc= -0.0139 (180deg=-0.28) USER MOD Single : A 51 LYS NZ :NH3+ -175:sc= -4.98! (180deg=-5.12!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 92:sc= 0.12 USER MOD Single : A 78 SER OG : rot 180:sc= -0.336 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 83 SER OG : rot -30:sc= 0.473 USER MOD Single : A 84 SER OG : rot 122:sc= 1.13 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 368 N PHE A 27 3.854 -1.137 -1.233 1.00 0.00 N ATOM 369 CA PHE A 27 2.992 -0.250 -2.005 1.00 0.00 C ATOM 370 C PHE A 27 3.037 1.171 -1.450 1.00 0.00 C ATOM 371 O PHE A 27 2.952 1.379 -0.240 1.00 0.00 O ATOM 372 CB PHE A 27 1.552 -0.767 -1.996 1.00 0.00 C ATOM 373 CG PHE A 27 0.590 0.123 -2.730 1.00 0.00 C ATOM 374 CD1 PHE A 27 0.726 0.337 -4.092 1.00 0.00 C ATOM 375 CD2 PHE A 27 -0.449 0.746 -2.057 1.00 0.00 C ATOM 376 CE1 PHE A 27 -0.157 1.156 -4.769 1.00 0.00 C ATOM 377 CE2 PHE A 27 -1.335 1.566 -2.730 1.00 0.00 C ATOM 378 CZ PHE A 27 -1.190 1.771 -4.088 1.00 0.00 C ATOM 0 HA PHE A 27 3.358 -0.233 -3.032 1.00 0.00 H new ATOM 0 HB2 PHE A 27 1.529 -1.761 -2.443 1.00 0.00 H new ATOM 0 HB3 PHE A 27 1.220 -0.874 -0.963 1.00 0.00 H new ATOM 0 HD1 PHE A 27 1.531 -0.141 -4.630 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -0.568 0.589 -0.995 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -0.040 1.316 -5.831 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -2.140 2.046 -2.194 1.00 0.00 H new ATOM 0 HZ PHE A 27 -1.882 2.410 -4.616 1.00 0.00 H new ATOM 388 N ASP A 28 3.173 2.144 -2.344 1.00 0.00 N ATOM 389 CA ASP A 28 3.229 3.546 -1.945 1.00 0.00 C ATOM 390 C ASP A 28 2.013 4.308 -2.464 1.00 0.00 C ATOM 391 O ASP A 28 1.466 5.167 -1.774 1.00 0.00 O ATOM 392 CB ASP A 28 4.513 4.195 -2.464 1.00 0.00 C ATOM 393 CG ASP A 28 5.760 3.510 -1.942 1.00 0.00 C ATOM 394 OD1 ASP A 28 5.681 2.311 -1.602 1.00 0.00 O ATOM 395 OD2 ASP A 28 6.816 4.173 -1.873 1.00 0.00 O ATOM 0 H ASP A 28 3.246 1.988 -3.349 1.00 0.00 H new ATOM 0 HA ASP A 28 3.224 3.589 -0.856 1.00 0.00 H new ATOM 0 HB2 ASP A 28 4.516 4.167 -3.554 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.530 5.245 -2.172 1.00 0.00 H new ATOM 400 N GLY A 29 1.596 3.987 -3.685 1.00 0.00 N ATOM 401 CA GLY A 29 0.449 4.651 -4.275 1.00 0.00 C ATOM 402 C GLY A 29 -0.627 4.967 -3.256 1.00 0.00 C ATOM 403 O GLY A 29 -1.442 4.109 -2.916 1.00 0.00 O ATOM 0 H GLY A 29 2.032 3.279 -4.276 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.774 5.575 -4.753 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.030 4.018 -5.057 1.00 0.00 H new ATOM 407 N VAL A 30 -0.629 6.201 -2.763 1.00 0.00 N ATOM 408 CA VAL A 30 -1.613 6.628 -1.775 1.00 0.00 C ATOM 409 C VAL A 30 -3.018 6.195 -2.176 1.00 0.00 C ATOM 410 O VAL A 30 -3.375 6.221 -3.354 1.00 0.00 O ATOM 411 CB VAL A 30 -1.592 8.157 -1.587 1.00 0.00 C ATOM 412 CG1 VAL A 30 -1.976 8.859 -2.880 1.00 0.00 C ATOM 413 CG2 VAL A 30 -2.520 8.566 -0.453 1.00 0.00 C ATOM 0 H VAL A 30 0.040 6.923 -3.031 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.344 6.150 -0.833 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.578 8.460 -1.324 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.956 9.938 -2.728 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.269 8.590 -3.664 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.979 8.553 -3.176 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.493 9.649 -0.334 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.538 8.251 -0.684 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.195 8.091 0.473 1.00 0.00 H new ATOM 423 N VAL A 31 -3.814 5.799 -1.188 1.00 0.00 N ATOM 424 CA VAL A 31 -5.182 5.361 -1.437 1.00 0.00 C ATOM 425 C VAL A 31 -6.093 6.547 -1.735 1.00 0.00 C ATOM 426 O VAL A 31 -5.853 7.661 -1.268 1.00 0.00 O ATOM 427 CB VAL A 31 -5.750 4.582 -0.236 1.00 0.00 C ATOM 428 CG1 VAL A 31 -7.166 4.108 -0.528 1.00 0.00 C ATOM 429 CG2 VAL A 31 -4.847 3.408 0.112 1.00 0.00 C ATOM 0 H VAL A 31 -3.535 5.773 -0.207 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.150 4.703 -2.305 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.787 5.250 0.624 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.551 3.560 0.332 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.805 4.969 -0.725 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -7.158 3.455 -1.401 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.263 2.869 0.963 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.777 2.737 -0.744 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.853 3.776 0.367 1.00 0.00 H new ATOM 439 N LYS A 32 -7.139 6.301 -2.516 1.00 0.00 N ATOM 440 CA LYS A 32 -8.089 7.348 -2.876 1.00 0.00 C ATOM 441 C LYS A 32 -9.340 7.269 -2.008 1.00 0.00 C ATOM 442 O LYS A 32 -9.926 8.292 -1.654 1.00 0.00 O ATOM 443 CB LYS A 32 -8.471 7.231 -4.354 1.00 0.00 C ATOM 444 CG LYS A 32 -7.277 7.209 -5.292 1.00 0.00 C ATOM 445 CD LYS A 32 -6.921 8.605 -5.775 1.00 0.00 C ATOM 446 CE LYS A 32 -6.332 9.449 -4.656 1.00 0.00 C ATOM 447 NZ LYS A 32 -7.380 10.224 -3.935 1.00 0.00 N ATOM 0 H LYS A 32 -7.351 5.385 -2.912 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.611 8.313 -2.706 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.053 6.321 -4.499 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.116 8.068 -4.621 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -6.420 6.770 -4.781 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -7.498 6.572 -6.149 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -6.206 8.536 -6.595 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.812 9.093 -6.169 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -5.808 8.803 -3.951 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.593 10.135 -5.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -7.319 10.026 -2.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -7.235 11.241 -4.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -8.319 9.947 -4.285 1.00 0.00 H new ATOM 461 N ASP A 33 -9.744 6.050 -1.669 1.00 0.00 N ATOM 462 CA ASP A 33 -10.925 5.838 -0.840 1.00 0.00 C ATOM 463 C ASP A 33 -10.876 4.472 -0.163 1.00 0.00 C ATOM 464 O ASP A 33 -10.247 3.542 -0.665 1.00 0.00 O ATOM 465 CB ASP A 33 -12.195 5.957 -1.684 1.00 0.00 C ATOM 466 CG ASP A 33 -12.326 7.316 -2.344 1.00 0.00 C ATOM 467 OD1 ASP A 33 -11.798 7.487 -3.463 1.00 0.00 O ATOM 468 OD2 ASP A 33 -12.958 8.209 -1.741 1.00 0.00 O ATOM 0 H ASP A 33 -9.271 5.193 -1.956 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.938 6.606 -0.067 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -12.192 5.183 -2.451 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -13.065 5.777 -1.053 1.00 0.00 H new ATOM 473 N ALA A 34 -11.543 4.361 0.981 1.00 0.00 N ATOM 474 CA ALA A 34 -11.576 3.109 1.727 1.00 0.00 C ATOM 475 C ALA A 34 -11.693 1.913 0.788 1.00 0.00 C ATOM 476 O ALA A 34 -10.890 0.982 0.851 1.00 0.00 O ATOM 477 CB ALA A 34 -12.728 3.117 2.721 1.00 0.00 C ATOM 0 H ALA A 34 -12.068 5.123 1.411 1.00 0.00 H new ATOM 0 HA ALA A 34 -10.638 3.017 2.275 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -12.741 2.176 3.271 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.600 3.944 3.420 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -13.670 3.237 2.185 1.00 0.00 H new ATOM 483 N GLU A 35 -12.697 1.946 -0.082 1.00 0.00 N ATOM 484 CA GLU A 35 -12.919 0.863 -1.033 1.00 0.00 C ATOM 485 C GLU A 35 -11.634 0.528 -1.785 1.00 0.00 C ATOM 486 O GLU A 35 -11.321 -0.641 -2.008 1.00 0.00 O ATOM 487 CB GLU A 35 -14.020 1.243 -2.025 1.00 0.00 C ATOM 488 CG GLU A 35 -15.409 1.277 -1.410 1.00 0.00 C ATOM 489 CD GLU A 35 -16.509 1.159 -2.447 1.00 0.00 C ATOM 490 OE1 GLU A 35 -16.541 1.994 -3.375 1.00 0.00 O ATOM 491 OE2 GLU A 35 -17.338 0.233 -2.330 1.00 0.00 O ATOM 0 H GLU A 35 -13.369 2.710 -0.148 1.00 0.00 H new ATOM 0 HA GLU A 35 -13.233 -0.019 -0.474 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -13.795 2.222 -2.447 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -14.015 0.531 -2.851 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -15.504 0.463 -0.691 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -15.535 2.208 -0.857 1.00 0.00 H new ATOM 498 N GLU A 36 -10.896 1.563 -2.173 1.00 0.00 N ATOM 499 CA GLU A 36 -9.647 1.378 -2.902 1.00 0.00 C ATOM 500 C GLU A 36 -8.583 0.748 -2.007 1.00 0.00 C ATOM 501 O GLU A 36 -7.764 -0.048 -2.465 1.00 0.00 O ATOM 502 CB GLU A 36 -9.144 2.718 -3.444 1.00 0.00 C ATOM 503 CG GLU A 36 -7.869 2.604 -4.263 1.00 0.00 C ATOM 504 CD GLU A 36 -8.136 2.249 -5.713 1.00 0.00 C ATOM 505 OE1 GLU A 36 -8.841 3.025 -6.392 1.00 0.00 O ATOM 506 OE2 GLU A 36 -7.642 1.197 -6.168 1.00 0.00 O ATOM 0 H GLU A 36 -11.141 2.537 -1.995 1.00 0.00 H new ATOM 0 HA GLU A 36 -9.840 0.705 -3.738 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.923 3.166 -4.061 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -8.970 3.396 -2.608 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.327 3.549 -4.218 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.224 1.845 -3.820 1.00 0.00 H new ATOM 513 N ALA A 37 -8.603 1.111 -0.729 1.00 0.00 N ATOM 514 CA ALA A 37 -7.643 0.581 0.231 1.00 0.00 C ATOM 515 C ALA A 37 -7.823 -0.922 0.415 1.00 0.00 C ATOM 516 O ALA A 37 -6.856 -1.651 0.637 1.00 0.00 O ATOM 517 CB ALA A 37 -7.779 1.298 1.565 1.00 0.00 C ATOM 0 H ALA A 37 -9.274 1.770 -0.334 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.641 0.755 -0.161 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.056 0.892 2.272 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.592 2.363 1.426 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.787 1.154 1.954 1.00 0.00 H new ATOM 523 N VAL A 38 -9.068 -1.380 0.323 1.00 0.00 N ATOM 524 CA VAL A 38 -9.375 -2.796 0.479 1.00 0.00 C ATOM 525 C VAL A 38 -8.872 -3.603 -0.713 1.00 0.00 C ATOM 526 O VAL A 38 -8.324 -4.693 -0.550 1.00 0.00 O ATOM 527 CB VAL A 38 -10.890 -3.028 0.639 1.00 0.00 C ATOM 528 CG1 VAL A 38 -11.196 -4.515 0.727 1.00 0.00 C ATOM 529 CG2 VAL A 38 -11.414 -2.293 1.864 1.00 0.00 C ATOM 0 H VAL A 38 -9.880 -0.790 0.141 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.866 -3.132 1.382 1.00 0.00 H new ATOM 0 HB VAL A 38 -11.397 -2.629 -0.240 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -12.271 -4.659 0.840 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -10.857 -5.011 -0.183 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.680 -4.942 1.587 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -12.485 -2.467 1.962 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.903 -2.660 2.754 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.229 -1.224 1.754 1.00 0.00 H new ATOM 539 N ARG A 39 -9.062 -3.059 -1.910 1.00 0.00 N ATOM 540 CA ARG A 39 -8.628 -3.728 -3.131 1.00 0.00 C ATOM 541 C ARG A 39 -7.112 -3.907 -3.143 1.00 0.00 C ATOM 542 O ARG A 39 -6.611 -5.025 -3.261 1.00 0.00 O ATOM 543 CB ARG A 39 -9.068 -2.930 -4.359 1.00 0.00 C ATOM 544 CG ARG A 39 -10.568 -2.699 -4.430 1.00 0.00 C ATOM 545 CD ARG A 39 -10.924 -1.671 -5.493 1.00 0.00 C ATOM 546 NE ARG A 39 -12.279 -1.154 -5.322 1.00 0.00 N ATOM 547 CZ ARG A 39 -13.372 -1.830 -5.659 1.00 0.00 C ATOM 548 NH1 ARG A 39 -13.270 -3.044 -6.182 1.00 0.00 N ATOM 549 NH2 ARG A 39 -14.571 -1.292 -5.472 1.00 0.00 N ATOM 0 H ARG A 39 -9.514 -2.157 -2.061 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.093 -4.713 -3.161 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -8.560 -1.966 -4.356 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -8.747 -3.456 -5.258 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -11.072 -3.640 -4.649 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -10.932 -2.361 -3.459 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -10.213 -0.846 -5.452 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -10.830 -2.123 -6.480 1.00 0.00 H new ATOM 0 HE ARG A 39 -12.393 -0.223 -4.922 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -12.351 -3.461 -6.327 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -14.111 -3.561 -6.440 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -14.654 -0.359 -5.069 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -15.409 -1.812 -5.731 1.00 0.00 H new ATOM 563 N ILE A 40 -6.390 -2.798 -3.021 1.00 0.00 N ATOM 564 CA ILE A 40 -4.933 -2.833 -3.017 1.00 0.00 C ATOM 565 C ILE A 40 -4.408 -3.764 -1.930 1.00 0.00 C ATOM 566 O ILE A 40 -3.443 -4.498 -2.139 1.00 0.00 O ATOM 567 CB ILE A 40 -4.337 -1.429 -2.807 1.00 0.00 C ATOM 568 CG1 ILE A 40 -4.785 -0.488 -3.927 1.00 0.00 C ATOM 569 CG2 ILE A 40 -2.818 -1.502 -2.746 1.00 0.00 C ATOM 570 CD1 ILE A 40 -4.807 0.969 -3.520 1.00 0.00 C ATOM 0 H ILE A 40 -6.790 -1.865 -2.924 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.624 -3.208 -3.993 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.701 -1.034 -1.859 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -4.118 -0.608 -4.780 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -5.782 -0.779 -4.258 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.411 -0.502 -2.597 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.518 -2.143 -1.917 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -2.436 -1.914 -3.680 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -5.134 1.577 -4.363 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.496 1.104 -2.686 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.806 1.277 -3.217 1.00 0.00 H new ATOM 582 N ALA A 41 -5.051 -3.729 -0.767 1.00 0.00 N ATOM 583 CA ALA A 41 -4.652 -4.573 0.352 1.00 0.00 C ATOM 584 C ALA A 41 -4.724 -6.050 -0.020 1.00 0.00 C ATOM 585 O ALA A 41 -3.742 -6.781 0.110 1.00 0.00 O ATOM 586 CB ALA A 41 -5.526 -4.288 1.565 1.00 0.00 C ATOM 0 H ALA A 41 -5.850 -3.125 -0.576 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.617 -4.339 0.600 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.217 -4.925 2.394 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.420 -3.242 1.852 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.568 -4.492 1.319 1.00 0.00 H new ATOM 592 N ARG A 42 -5.893 -6.483 -0.481 1.00 0.00 N ATOM 593 CA ARG A 42 -6.093 -7.873 -0.870 1.00 0.00 C ATOM 594 C ARG A 42 -4.967 -8.350 -1.783 1.00 0.00 C ATOM 595 O ARG A 42 -4.493 -9.479 -1.661 1.00 0.00 O ATOM 596 CB ARG A 42 -7.441 -8.039 -1.574 1.00 0.00 C ATOM 597 CG ARG A 42 -8.635 -7.891 -0.646 1.00 0.00 C ATOM 598 CD ARG A 42 -9.892 -7.511 -1.413 1.00 0.00 C ATOM 599 NE ARG A 42 -10.425 -8.633 -2.182 1.00 0.00 N ATOM 600 CZ ARG A 42 -11.447 -8.527 -3.023 1.00 0.00 C ATOM 601 NH1 ARG A 42 -12.045 -7.357 -3.203 1.00 0.00 N ATOM 602 NH2 ARG A 42 -11.875 -9.594 -3.687 1.00 0.00 N ATOM 0 H ARG A 42 -6.716 -5.891 -0.594 1.00 0.00 H new ATOM 0 HA ARG A 42 -6.086 -8.482 0.034 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.518 -7.300 -2.372 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.477 -9.022 -2.045 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -8.801 -8.827 -0.113 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -8.422 -7.130 0.105 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.650 -7.158 -0.714 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -9.669 -6.683 -2.086 1.00 0.00 H new ATOM 0 HE ARG A 42 -9.988 -9.548 -2.067 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -11.720 -6.535 -2.695 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.830 -7.280 -3.850 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -11.419 -10.496 -3.551 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -12.660 -9.512 -4.333 1.00 0.00 H new ATOM 616 N GLU A 43 -4.546 -7.482 -2.697 1.00 0.00 N ATOM 617 CA GLU A 43 -3.477 -7.816 -3.631 1.00 0.00 C ATOM 618 C GLU A 43 -2.172 -8.089 -2.890 1.00 0.00 C ATOM 619 O GLU A 43 -1.498 -9.087 -3.146 1.00 0.00 O ATOM 620 CB GLU A 43 -3.277 -6.681 -4.638 1.00 0.00 C ATOM 621 CG GLU A 43 -4.146 -6.806 -5.878 1.00 0.00 C ATOM 622 CD GLU A 43 -3.510 -6.177 -7.102 1.00 0.00 C ATOM 623 OE1 GLU A 43 -2.352 -6.525 -7.413 1.00 0.00 O ATOM 624 OE2 GLU A 43 -4.170 -5.337 -7.749 1.00 0.00 O ATOM 0 H GLU A 43 -4.928 -6.543 -2.811 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.766 -8.721 -4.166 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.492 -5.731 -4.149 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.230 -6.655 -4.940 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.341 -7.860 -6.076 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.110 -6.333 -5.691 1.00 0.00 H new ATOM 631 N ILE A 44 -1.822 -7.195 -1.971 1.00 0.00 N ATOM 632 CA ILE A 44 -0.599 -7.340 -1.192 1.00 0.00 C ATOM 633 C ILE A 44 -0.625 -8.617 -0.360 1.00 0.00 C ATOM 634 O ILE A 44 0.378 -9.322 -0.252 1.00 0.00 O ATOM 635 CB ILE A 44 -0.381 -6.136 -0.257 1.00 0.00 C ATOM 636 CG1 ILE A 44 -0.363 -4.834 -1.062 1.00 0.00 C ATOM 637 CG2 ILE A 44 0.915 -6.299 0.524 1.00 0.00 C ATOM 638 CD1 ILE A 44 -0.054 -3.612 -0.226 1.00 0.00 C ATOM 0 H ILE A 44 -2.368 -6.363 -1.748 1.00 0.00 H new ATOM 0 HA ILE A 44 0.224 -7.390 -1.904 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.207 -6.092 0.453 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.378 -4.918 -1.857 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -1.332 -4.700 -1.543 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.055 -5.440 1.180 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.867 -7.209 1.122 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.752 -6.365 -0.171 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -0.058 -2.726 -0.861 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.809 -3.503 0.553 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.928 -3.725 0.234 1.00 0.00 H new ATOM 650 N GLY A 45 -1.781 -8.911 0.228 1.00 0.00 N ATOM 651 CA GLY A 45 -1.918 -10.105 1.042 1.00 0.00 C ATOM 652 C GLY A 45 -1.929 -9.796 2.526 1.00 0.00 C ATOM 653 O GLY A 45 -0.875 -9.676 3.150 1.00 0.00 O ATOM 0 H GLY A 45 -2.625 -8.343 0.155 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.841 -10.620 0.774 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.097 -10.787 0.822 1.00 0.00 H new ATOM 657 N TYR A 46 -3.124 -9.665 3.092 1.00 0.00 N ATOM 658 CA TYR A 46 -3.268 -9.364 4.511 1.00 0.00 C ATOM 659 C TYR A 46 -2.386 -10.279 5.355 1.00 0.00 C ATOM 660 O TYR A 46 -2.046 -11.395 4.959 1.00 0.00 O ATOM 661 CB TYR A 46 -4.729 -9.510 4.939 1.00 0.00 C ATOM 662 CG TYR A 46 -5.633 -8.432 4.384 1.00 0.00 C ATOM 663 CD1 TYR A 46 -5.666 -7.165 4.953 1.00 0.00 C ATOM 664 CD2 TYR A 46 -6.454 -8.681 3.291 1.00 0.00 C ATOM 665 CE1 TYR A 46 -6.491 -6.178 4.450 1.00 0.00 C ATOM 666 CE2 TYR A 46 -7.281 -7.699 2.781 1.00 0.00 C ATOM 667 CZ TYR A 46 -7.296 -6.449 3.364 1.00 0.00 C ATOM 668 OH TYR A 46 -8.119 -5.469 2.859 1.00 0.00 O ATOM 0 H TYR A 46 -4.006 -9.763 2.590 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.950 -8.334 4.671 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -5.098 -10.484 4.616 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.783 -9.493 6.028 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -5.036 -6.948 5.803 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -6.445 -9.659 2.832 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.505 -5.199 4.905 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -7.912 -7.909 1.930 1.00 0.00 H new ATOM 0 HH TYR A 46 -8.599 -5.034 3.594 1.00 0.00 H new ATOM 678 N PRO A 47 -2.005 -9.798 6.547 1.00 0.00 N ATOM 679 CA PRO A 47 -2.402 -8.471 7.029 1.00 0.00 C ATOM 680 C PRO A 47 -1.730 -7.346 6.250 1.00 0.00 C ATOM 681 O PRO A 47 -0.739 -7.566 5.552 1.00 0.00 O ATOM 682 CB PRO A 47 -1.934 -8.468 8.486 1.00 0.00 C ATOM 683 CG PRO A 47 -0.814 -9.449 8.526 1.00 0.00 C ATOM 684 CD PRO A 47 -1.157 -10.511 7.517 1.00 0.00 C ATOM 0 HA PRO A 47 -3.472 -8.298 6.911 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -1.603 -7.476 8.793 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -2.739 -8.758 9.161 1.00 0.00 H new ATOM 0 HG2 PRO A 47 0.134 -8.969 8.281 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.706 -9.878 9.522 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -0.264 -10.921 7.045 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -1.686 -11.346 7.976 1.00 0.00 H new ATOM 692 N VAL A 48 -2.273 -6.140 6.374 1.00 0.00 N ATOM 693 CA VAL A 48 -1.724 -4.979 5.682 1.00 0.00 C ATOM 694 C VAL A 48 -1.704 -3.756 6.592 1.00 0.00 C ATOM 695 O VAL A 48 -2.735 -3.350 7.127 1.00 0.00 O ATOM 696 CB VAL A 48 -2.532 -4.648 4.413 1.00 0.00 C ATOM 697 CG1 VAL A 48 -2.543 -5.835 3.462 1.00 0.00 C ATOM 698 CG2 VAL A 48 -3.949 -4.233 4.778 1.00 0.00 C ATOM 0 H VAL A 48 -3.093 -5.941 6.947 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.703 -5.233 5.397 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.052 -3.811 3.905 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.118 -5.582 2.571 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.521 -6.081 3.176 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -2.998 -6.693 3.957 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.506 -4.003 3.870 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.441 -5.048 5.309 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.916 -3.351 5.417 1.00 0.00 H new ATOM 708 N MET A 49 -0.522 -3.173 6.764 1.00 0.00 N ATOM 709 CA MET A 49 -0.367 -1.994 7.608 1.00 0.00 C ATOM 710 C MET A 49 -0.772 -0.730 6.857 1.00 0.00 C ATOM 711 O MET A 49 -0.484 -0.585 5.668 1.00 0.00 O ATOM 712 CB MET A 49 1.079 -1.873 8.092 1.00 0.00 C ATOM 713 CG MET A 49 1.373 -0.565 8.809 1.00 0.00 C ATOM 714 SD MET A 49 3.136 -0.197 8.886 1.00 0.00 S ATOM 715 CE MET A 49 3.761 -1.690 9.653 1.00 0.00 C ATOM 0 H MET A 49 0.342 -3.498 6.330 1.00 0.00 H new ATOM 0 HA MET A 49 -1.023 -2.108 8.471 1.00 0.00 H new ATOM 0 HB2 MET A 49 1.299 -2.703 8.763 1.00 0.00 H new ATOM 0 HB3 MET A 49 1.749 -1.968 7.237 1.00 0.00 H new ATOM 0 HG2 MET A 49 0.858 0.249 8.298 1.00 0.00 H new ATOM 0 HG3 MET A 49 0.971 -0.611 9.821 1.00 0.00 H new ATOM 0 HE1 MET A 49 4.789 -1.529 9.978 1.00 0.00 H new ATOM 0 HE2 MET A 49 3.143 -1.943 10.515 1.00 0.00 H new ATOM 0 HE3 MET A 49 3.732 -2.508 8.933 1.00 0.00 H new ATOM 725 N ILE A 50 -1.439 0.181 7.557 1.00 0.00 N ATOM 726 CA ILE A 50 -1.882 1.432 6.955 1.00 0.00 C ATOM 727 C ILE A 50 -1.333 2.633 7.717 1.00 0.00 C ATOM 728 O ILE A 50 -1.441 2.709 8.941 1.00 0.00 O ATOM 729 CB ILE A 50 -3.419 1.524 6.913 1.00 0.00 C ATOM 730 CG1 ILE A 50 -3.995 0.403 6.046 1.00 0.00 C ATOM 731 CG2 ILE A 50 -3.854 2.884 6.388 1.00 0.00 C ATOM 732 CD1 ILE A 50 -5.419 0.036 6.401 1.00 0.00 C ATOM 0 H ILE A 50 -1.684 0.076 8.541 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.498 1.445 5.935 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.803 1.408 7.926 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.957 0.707 5.000 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.365 -0.481 6.144 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -4.943 2.934 6.364 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -3.469 3.667 7.042 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -3.462 3.028 5.381 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.762 -0.765 5.746 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.461 -0.299 7.437 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -6.061 0.908 6.276 1.00 0.00 H new ATOM 744 N LYS A 51 -0.743 3.573 6.985 1.00 0.00 N ATOM 745 CA LYS A 51 -0.179 4.773 7.590 1.00 0.00 C ATOM 746 C LYS A 51 -0.677 6.027 6.878 1.00 0.00 C ATOM 747 O LYS A 51 -1.377 5.942 5.869 1.00 0.00 O ATOM 748 CB LYS A 51 1.350 4.722 7.545 1.00 0.00 C ATOM 749 CG LYS A 51 1.925 3.371 7.935 1.00 0.00 C ATOM 750 CD LYS A 51 3.249 3.106 7.238 1.00 0.00 C ATOM 751 CE LYS A 51 3.114 3.212 5.726 1.00 0.00 C ATOM 752 NZ LYS A 51 4.167 2.432 5.019 1.00 0.00 N ATOM 0 H LYS A 51 -0.643 3.526 5.971 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.505 4.813 8.629 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.684 4.973 6.538 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.751 5.485 8.213 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.067 3.333 9.015 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.215 2.585 7.680 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.995 3.819 7.589 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.609 2.112 7.503 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.131 2.852 5.423 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.176 4.259 5.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.093 2.597 3.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 5.105 2.734 5.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.040 1.419 5.216 1.00 0.00 H new ATOM 766 N ALA A 52 -0.311 7.189 7.410 1.00 0.00 N ATOM 767 CA ALA A 52 -0.718 8.459 6.823 1.00 0.00 C ATOM 768 C ALA A 52 0.405 9.062 5.986 1.00 0.00 C ATOM 769 O ALA A 52 1.409 9.530 6.523 1.00 0.00 O ATOM 770 CB ALA A 52 -1.147 9.431 7.913 1.00 0.00 C ATOM 0 H ALA A 52 0.266 7.276 8.246 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.566 8.271 6.164 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.448 10.376 7.460 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.986 9.010 8.466 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.314 9.605 8.594 1.00 0.00 H new ATOM 776 N SER A 53 0.229 9.047 4.669 1.00 0.00 N ATOM 777 CA SER A 53 1.230 9.589 3.757 1.00 0.00 C ATOM 778 C SER A 53 1.740 10.939 4.251 1.00 0.00 C ATOM 779 O SER A 53 2.945 11.189 4.274 1.00 0.00 O ATOM 780 CB SER A 53 0.645 9.734 2.351 1.00 0.00 C ATOM 781 OG SER A 53 1.652 9.596 1.363 1.00 0.00 O ATOM 0 H SER A 53 -0.598 8.665 4.209 1.00 0.00 H new ATOM 0 HA SER A 53 2.069 8.894 3.723 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.127 8.981 2.195 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.165 10.708 2.252 1.00 0.00 H new ATOM 0 HG SER A 53 1.252 9.691 0.473 1.00 0.00 H new ATOM 787 N ALA A 54 0.813 11.806 4.644 1.00 0.00 N ATOM 788 CA ALA A 54 1.167 13.131 5.139 1.00 0.00 C ATOM 789 C ALA A 54 2.290 13.051 6.167 1.00 0.00 C ATOM 790 O ALA A 54 3.164 13.916 6.215 1.00 0.00 O ATOM 791 CB ALA A 54 -0.053 13.814 5.739 1.00 0.00 C ATOM 0 H ALA A 54 -0.189 11.615 4.629 1.00 0.00 H new ATOM 0 HA ALA A 54 1.523 13.723 4.296 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.226 14.802 6.104 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.826 13.914 4.977 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.435 13.216 6.566 1.00 0.00 H new ATOM 871 N ARG A 62 -2.600 2.618 12.264 1.00 0.00 N ATOM 872 CA ARG A 62 -3.375 1.415 12.540 1.00 0.00 C ATOM 873 C ARG A 62 -3.171 0.373 11.444 1.00 0.00 C ATOM 874 O ARG A 62 -2.822 0.709 10.312 1.00 0.00 O ATOM 875 CB ARG A 62 -4.862 1.756 12.662 1.00 0.00 C ATOM 876 CG ARG A 62 -5.654 0.745 13.474 1.00 0.00 C ATOM 877 CD ARG A 62 -7.135 0.793 13.131 1.00 0.00 C ATOM 878 NE ARG A 62 -7.889 -0.256 13.813 1.00 0.00 N ATOM 879 CZ ARG A 62 -9.105 -0.644 13.446 1.00 0.00 C ATOM 880 NH1 ARG A 62 -9.701 -0.073 12.408 1.00 0.00 N ATOM 881 NH2 ARG A 62 -9.727 -1.605 14.117 1.00 0.00 N ATOM 0 HA ARG A 62 -3.026 0.998 13.485 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.964 2.739 13.122 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.293 1.825 11.663 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.268 -0.257 13.286 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.519 0.944 14.537 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -7.539 1.767 13.406 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -7.261 0.688 12.053 1.00 0.00 H new ATOM 0 HE ARG A 62 -7.458 -0.716 14.615 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -9.225 0.666 11.890 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -10.635 -0.373 12.128 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -9.271 -2.047 14.916 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -10.661 -1.902 13.834 1.00 0.00 H new ATOM 895 N ILE A 63 -3.389 -0.892 11.789 1.00 0.00 N ATOM 896 CA ILE A 63 -3.229 -1.982 10.835 1.00 0.00 C ATOM 897 C ILE A 63 -4.538 -2.740 10.641 1.00 0.00 C ATOM 898 O ILE A 63 -5.405 -2.734 11.514 1.00 0.00 O ATOM 899 CB ILE A 63 -2.138 -2.970 11.287 1.00 0.00 C ATOM 900 CG1 ILE A 63 -0.840 -2.223 11.601 1.00 0.00 C ATOM 901 CG2 ILE A 63 -1.903 -4.026 10.217 1.00 0.00 C ATOM 902 CD1 ILE A 63 0.258 -3.117 12.133 1.00 0.00 C ATOM 0 H ILE A 63 -3.677 -1.187 12.722 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.930 -1.532 9.889 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.475 -3.470 12.195 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.488 -1.727 10.696 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.048 -1.442 12.332 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.129 -4.717 10.551 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.827 -4.575 10.039 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.584 -3.543 9.293 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.148 -2.520 12.333 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.075 -3.593 13.055 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.494 -3.883 11.394 1.00 0.00 H new ATOM 914 N ALA A 64 -4.673 -3.392 9.491 1.00 0.00 N ATOM 915 CA ALA A 64 -5.874 -4.159 9.184 1.00 0.00 C ATOM 916 C ALA A 64 -5.524 -5.578 8.750 1.00 0.00 C ATOM 917 O ALA A 64 -4.458 -5.818 8.182 1.00 0.00 O ATOM 918 CB ALA A 64 -6.685 -3.459 8.104 1.00 0.00 C ATOM 0 H ALA A 64 -3.965 -3.404 8.756 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.476 -4.223 10.091 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -7.579 -4.043 7.885 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -6.975 -2.468 8.452 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.083 -3.364 7.200 1.00 0.00 H new ATOM 924 N TRP A 65 -6.426 -6.514 9.020 1.00 0.00 N ATOM 925 CA TRP A 65 -6.212 -7.910 8.657 1.00 0.00 C ATOM 926 C TRP A 65 -7.287 -8.393 7.690 1.00 0.00 C ATOM 927 O TRP A 65 -7.177 -9.476 7.116 1.00 0.00 O ATOM 928 CB TRP A 65 -6.203 -8.788 9.909 1.00 0.00 C ATOM 929 CG TRP A 65 -5.055 -8.501 10.829 1.00 0.00 C ATOM 930 CD1 TRP A 65 -4.847 -7.360 11.549 1.00 0.00 C ATOM 931 CD2 TRP A 65 -3.956 -9.370 11.124 1.00 0.00 C ATOM 932 NE1 TRP A 65 -3.685 -7.467 12.275 1.00 0.00 N ATOM 933 CE2 TRP A 65 -3.120 -8.691 12.032 1.00 0.00 C ATOM 934 CE3 TRP A 65 -3.597 -10.656 10.712 1.00 0.00 C ATOM 935 CZ2 TRP A 65 -1.950 -9.255 12.532 1.00 0.00 C ATOM 936 CZ3 TRP A 65 -2.435 -11.215 11.208 1.00 0.00 C ATOM 937 CH2 TRP A 65 -1.623 -10.515 12.111 1.00 0.00 C ATOM 0 H TRP A 65 -7.313 -6.332 9.489 1.00 0.00 H new ATOM 0 HA TRP A 65 -5.244 -7.986 8.161 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -7.138 -8.645 10.451 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -6.166 -9.835 9.609 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -5.500 -6.500 11.548 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -3.305 -6.751 12.894 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -4.217 -11.204 10.018 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -1.323 -8.717 13.227 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -2.148 -12.208 10.895 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -0.721 -10.980 12.482 1.00 0.00 H new ATOM 948 N ASP A 66 -8.325 -7.582 7.514 1.00 0.00 N ATOM 949 CA ASP A 66 -9.419 -7.927 6.614 1.00 0.00 C ATOM 950 C ASP A 66 -10.093 -6.670 6.072 1.00 0.00 C ATOM 951 O ASP A 66 -9.925 -5.579 6.617 1.00 0.00 O ATOM 952 CB ASP A 66 -10.446 -8.800 7.337 1.00 0.00 C ATOM 953 CG ASP A 66 -9.806 -9.970 8.059 1.00 0.00 C ATOM 954 OD1 ASP A 66 -9.385 -10.928 7.378 1.00 0.00 O ATOM 955 OD2 ASP A 66 -9.727 -9.926 9.304 1.00 0.00 O ATOM 0 H ASP A 66 -8.431 -6.682 7.982 1.00 0.00 H new ATOM 0 HA ASP A 66 -9.005 -8.486 5.775 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -10.996 -8.191 8.055 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -11.172 -9.175 6.615 1.00 0.00 H new ATOM 960 N ASP A 67 -10.855 -6.831 4.996 1.00 0.00 N ATOM 961 CA ASP A 67 -11.555 -5.710 4.379 1.00 0.00 C ATOM 962 C ASP A 67 -12.191 -4.817 5.440 1.00 0.00 C ATOM 963 O ASP A 67 -11.945 -3.612 5.479 1.00 0.00 O ATOM 964 CB ASP A 67 -12.626 -6.218 3.413 1.00 0.00 C ATOM 965 CG ASP A 67 -13.643 -7.112 4.094 1.00 0.00 C ATOM 966 OD1 ASP A 67 -13.241 -7.913 4.964 1.00 0.00 O ATOM 967 OD2 ASP A 67 -14.841 -7.010 3.758 1.00 0.00 O ATOM 0 H ASP A 67 -11.004 -7.727 4.533 1.00 0.00 H new ATOM 0 HA ASP A 67 -10.826 -5.121 3.822 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -13.138 -5.367 2.963 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -12.148 -6.768 2.602 1.00 0.00 H new ATOM 972 N GLU A 68 -13.011 -5.418 6.297 1.00 0.00 N ATOM 973 CA GLU A 68 -13.684 -4.676 7.356 1.00 0.00 C ATOM 974 C GLU A 68 -12.699 -3.785 8.107 1.00 0.00 C ATOM 975 O GLU A 68 -12.980 -2.616 8.370 1.00 0.00 O ATOM 976 CB GLU A 68 -14.363 -5.639 8.332 1.00 0.00 C ATOM 977 CG GLU A 68 -13.396 -6.579 9.032 1.00 0.00 C ATOM 978 CD GLU A 68 -14.039 -7.896 9.420 1.00 0.00 C ATOM 979 OE1 GLU A 68 -15.004 -7.873 10.213 1.00 0.00 O ATOM 980 OE2 GLU A 68 -13.579 -8.948 8.932 1.00 0.00 O ATOM 0 H GLU A 68 -13.225 -6.415 6.278 1.00 0.00 H new ATOM 0 HA GLU A 68 -14.442 -4.043 6.895 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -14.903 -5.062 9.083 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -15.103 -6.229 7.791 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.546 -6.773 8.378 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -13.005 -6.093 9.926 1.00 0.00 H new ATOM 987 N GLU A 69 -11.544 -4.347 8.450 1.00 0.00 N ATOM 988 CA GLU A 69 -10.518 -3.604 9.172 1.00 0.00 C ATOM 989 C GLU A 69 -9.912 -2.516 8.291 1.00 0.00 C ATOM 990 O GLU A 69 -9.711 -1.384 8.731 1.00 0.00 O ATOM 991 CB GLU A 69 -9.420 -4.551 9.660 1.00 0.00 C ATOM 992 CG GLU A 69 -9.872 -5.490 10.766 1.00 0.00 C ATOM 993 CD GLU A 69 -8.727 -5.942 11.652 1.00 0.00 C ATOM 994 OE1 GLU A 69 -7.840 -5.114 11.945 1.00 0.00 O ATOM 995 OE2 GLU A 69 -8.719 -7.125 12.052 1.00 0.00 O ATOM 0 H GLU A 69 -11.296 -5.314 8.240 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.988 -3.129 10.033 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.061 -5.142 8.817 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.576 -3.961 10.018 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.624 -4.990 11.377 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.350 -6.364 10.323 1.00 0.00 H new ATOM 1002 N THR A 70 -9.623 -2.868 7.042 1.00 0.00 N ATOM 1003 CA THR A 70 -9.039 -1.924 6.098 1.00 0.00 C ATOM 1004 C THR A 70 -9.823 -0.617 6.070 1.00 0.00 C ATOM 1005 O THR A 70 -9.254 0.463 6.233 1.00 0.00 O ATOM 1006 CB THR A 70 -8.990 -2.510 4.674 1.00 0.00 C ATOM 1007 OG1 THR A 70 -8.327 -3.779 4.689 1.00 0.00 O ATOM 1008 CG2 THR A 70 -8.268 -1.566 3.724 1.00 0.00 C ATOM 0 H THR A 70 -9.784 -3.800 6.661 1.00 0.00 H new ATOM 0 HA THR A 70 -8.022 -1.727 6.437 1.00 0.00 H new ATOM 0 HB THR A 70 -10.014 -2.639 4.323 1.00 0.00 H new ATOM 0 HG1 THR A 70 -7.600 -3.776 4.032 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.246 -2.002 2.725 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.792 -0.611 3.692 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.248 -1.408 4.073 1.00 0.00 H new ATOM 1016 N ARG A 71 -11.132 -0.722 5.865 1.00 0.00 N ATOM 1017 CA ARG A 71 -11.994 0.452 5.816 1.00 0.00 C ATOM 1018 C ARG A 71 -11.975 1.197 7.148 1.00 0.00 C ATOM 1019 O ARG A 71 -11.553 2.351 7.219 1.00 0.00 O ATOM 1020 CB ARG A 71 -13.427 0.045 5.467 1.00 0.00 C ATOM 1021 CG ARG A 71 -13.577 -0.511 4.061 1.00 0.00 C ATOM 1022 CD ARG A 71 -14.970 -1.077 3.831 1.00 0.00 C ATOM 1023 NE ARG A 71 -15.097 -1.703 2.518 1.00 0.00 N ATOM 1024 CZ ARG A 71 -16.240 -2.181 2.039 1.00 0.00 C ATOM 1025 NH1 ARG A 71 -17.349 -2.105 2.762 1.00 0.00 N ATOM 1026 NH2 ARG A 71 -16.276 -2.737 0.835 1.00 0.00 N ATOM 0 H ARG A 71 -11.618 -1.608 5.730 1.00 0.00 H new ATOM 0 HA ARG A 71 -11.614 1.118 5.042 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -13.768 -0.703 6.183 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -14.079 0.912 5.577 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -13.379 0.277 3.334 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -12.834 -1.291 3.896 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -15.196 -1.810 4.605 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -15.706 -0.278 3.924 1.00 0.00 H new ATOM 0 HE ARG A 71 -14.262 -1.777 1.937 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -17.326 -1.679 3.688 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -18.225 -2.473 2.392 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -15.425 -2.798 0.276 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -17.154 -3.104 0.469 1.00 0.00 H new ATOM 1040 N ASP A 72 -12.436 0.528 8.199 1.00 0.00 N ATOM 1041 CA ASP A 72 -12.471 1.126 9.529 1.00 0.00 C ATOM 1042 C ASP A 72 -11.174 1.872 9.824 1.00 0.00 C ATOM 1043 O ASP A 72 -11.193 3.005 10.303 1.00 0.00 O ATOM 1044 CB ASP A 72 -12.707 0.049 10.589 1.00 0.00 C ATOM 1045 CG ASP A 72 -14.174 -0.300 10.743 1.00 0.00 C ATOM 1046 OD1 ASP A 72 -15.016 0.617 10.644 1.00 0.00 O ATOM 1047 OD2 ASP A 72 -14.481 -1.490 10.963 1.00 0.00 O ATOM 0 H ASP A 72 -12.790 -0.428 8.156 1.00 0.00 H new ATOM 0 HA ASP A 72 -13.294 1.840 9.558 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -12.149 -0.848 10.321 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -12.316 0.394 11.546 1.00 0.00 H new ATOM 1052 N GLY A 73 -10.047 1.228 9.536 1.00 0.00 N ATOM 1053 CA GLY A 73 -8.756 1.845 9.778 1.00 0.00 C ATOM 1054 C GLY A 73 -8.435 2.932 8.771 1.00 0.00 C ATOM 1055 O GLY A 73 -7.708 3.877 9.077 1.00 0.00 O ATOM 0 H GLY A 73 -10.005 0.289 9.139 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -8.742 2.269 10.782 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -7.979 1.081 9.743 1.00 0.00 H new ATOM 1059 N PHE A 74 -8.977 2.797 7.565 1.00 0.00 N ATOM 1060 CA PHE A 74 -8.742 3.774 6.508 1.00 0.00 C ATOM 1061 C PHE A 74 -9.441 5.094 6.822 1.00 0.00 C ATOM 1062 O PHE A 74 -8.901 6.170 6.568 1.00 0.00 O ATOM 1063 CB PHE A 74 -9.232 3.231 5.164 1.00 0.00 C ATOM 1064 CG PHE A 74 -9.309 4.276 4.088 1.00 0.00 C ATOM 1065 CD1 PHE A 74 -8.209 4.553 3.293 1.00 0.00 C ATOM 1066 CD2 PHE A 74 -10.482 4.981 3.871 1.00 0.00 C ATOM 1067 CE1 PHE A 74 -8.278 5.514 2.302 1.00 0.00 C ATOM 1068 CE2 PHE A 74 -10.557 5.943 2.882 1.00 0.00 C ATOM 1069 CZ PHE A 74 -9.454 6.209 2.096 1.00 0.00 C ATOM 0 H PHE A 74 -9.582 2.021 7.295 1.00 0.00 H new ATOM 0 HA PHE A 74 -7.669 3.957 6.448 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -8.564 2.434 4.838 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -10.218 2.786 5.299 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.287 4.012 3.449 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -11.348 4.776 4.482 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -7.413 5.721 1.689 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -11.477 6.486 2.724 1.00 0.00 H new ATOM 0 HZ PHE A 74 -9.510 6.959 1.321 1.00 0.00 H new ATOM 1079 N ARG A 75 -10.646 5.001 7.375 1.00 0.00 N ATOM 1080 CA ARG A 75 -11.420 6.187 7.722 1.00 0.00 C ATOM 1081 C ARG A 75 -10.722 6.992 8.814 1.00 0.00 C ATOM 1082 O ARG A 75 -10.584 8.212 8.708 1.00 0.00 O ATOM 1083 CB ARG A 75 -12.822 5.788 8.186 1.00 0.00 C ATOM 1084 CG ARG A 75 -13.585 4.953 7.171 1.00 0.00 C ATOM 1085 CD ARG A 75 -14.864 4.384 7.766 1.00 0.00 C ATOM 1086 NE ARG A 75 -15.827 5.431 8.096 1.00 0.00 N ATOM 1087 CZ ARG A 75 -16.640 5.990 7.206 1.00 0.00 C ATOM 1088 NH1 ARG A 75 -16.606 5.604 5.938 1.00 0.00 N ATOM 1089 NH2 ARG A 75 -17.489 6.937 7.584 1.00 0.00 N ATOM 0 H ARG A 75 -11.107 4.117 7.592 1.00 0.00 H new ATOM 0 HA ARG A 75 -11.502 6.810 6.831 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -12.741 5.228 9.118 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -13.393 6.690 8.405 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -13.828 5.566 6.303 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -12.952 4.138 6.819 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -15.314 3.687 7.059 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -14.624 3.816 8.665 1.00 0.00 H new ATOM 0 HE ARG A 75 -15.878 5.751 9.063 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -15.955 4.876 5.644 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -17.231 6.035 5.257 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -17.518 7.237 8.559 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -18.113 7.365 6.900 1.00 0.00 H new ATOM 1103 N LEU A 76 -10.283 6.303 9.861 1.00 0.00 N ATOM 1104 CA LEU A 76 -9.599 6.954 10.973 1.00 0.00 C ATOM 1105 C LEU A 76 -8.229 7.470 10.542 1.00 0.00 C ATOM 1106 O LEU A 76 -7.983 8.676 10.536 1.00 0.00 O ATOM 1107 CB LEU A 76 -9.445 5.981 12.143 1.00 0.00 C ATOM 1108 CG LEU A 76 -10.687 5.168 12.508 1.00 0.00 C ATOM 1109 CD1 LEU A 76 -10.305 3.953 13.338 1.00 0.00 C ATOM 1110 CD2 LEU A 76 -11.690 6.034 13.257 1.00 0.00 C ATOM 0 H LEU A 76 -10.388 5.294 9.964 1.00 0.00 H new ATOM 0 HA LEU A 76 -10.203 7.803 11.292 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -8.637 5.288 11.909 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -9.135 6.547 13.021 1.00 0.00 H new ATOM 0 HG LEU A 76 -11.154 4.820 11.586 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -11.202 3.387 13.588 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -9.625 3.321 12.767 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -9.814 4.279 14.255 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -12.568 5.439 13.509 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -11.233 6.412 14.172 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -11.988 6.872 12.628 1.00 0.00 H new ATOM 1122 N SER A 77 -7.342 6.549 10.181 1.00 0.00 N ATOM 1123 CA SER A 77 -5.997 6.911 9.750 1.00 0.00 C ATOM 1124 C SER A 77 -6.035 8.087 8.780 1.00 0.00 C ATOM 1125 O SER A 77 -5.049 8.806 8.619 1.00 0.00 O ATOM 1126 CB SER A 77 -5.311 5.713 9.090 1.00 0.00 C ATOM 1127 OG SER A 77 -5.011 4.708 10.043 1.00 0.00 O ATOM 0 H SER A 77 -7.530 5.547 10.178 1.00 0.00 H new ATOM 0 HA SER A 77 -5.427 7.208 10.631 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.957 5.302 8.314 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.394 6.040 8.600 1.00 0.00 H new ATOM 0 HG SER A 77 -5.755 4.072 10.093 1.00 0.00 H new ATOM 1133 N SER A 78 -7.182 8.278 8.136 1.00 0.00 N ATOM 1134 CA SER A 78 -7.349 9.365 7.178 1.00 0.00 C ATOM 1135 C SER A 78 -7.632 10.682 7.894 1.00 0.00 C ATOM 1136 O SER A 78 -6.861 11.635 7.790 1.00 0.00 O ATOM 1137 CB SER A 78 -8.487 9.045 6.206 1.00 0.00 C ATOM 1138 OG SER A 78 -8.697 10.113 5.298 1.00 0.00 O ATOM 0 H SER A 78 -8.009 7.694 8.260 1.00 0.00 H new ATOM 0 HA SER A 78 -6.420 9.469 6.618 1.00 0.00 H new ATOM 0 HB2 SER A 78 -8.253 8.135 5.654 1.00 0.00 H new ATOM 0 HB3 SER A 78 -9.403 8.853 6.764 1.00 0.00 H new ATOM 0 HG SER A 78 -9.428 9.884 4.687 1.00 0.00 H new ATOM 1144 N GLN A 79 -8.744 10.725 8.621 1.00 0.00 N ATOM 1145 CA GLN A 79 -9.130 11.925 9.355 1.00 0.00 C ATOM 1146 C GLN A 79 -7.962 12.458 10.179 1.00 0.00 C ATOM 1147 O GLN A 79 -7.838 13.664 10.389 1.00 0.00 O ATOM 1148 CB GLN A 79 -10.321 11.630 10.267 1.00 0.00 C ATOM 1149 CG GLN A 79 -9.938 10.926 11.559 1.00 0.00 C ATOM 1150 CD GLN A 79 -11.070 10.901 12.568 1.00 0.00 C ATOM 1151 OE1 GLN A 79 -11.826 9.933 12.646 1.00 0.00 O ATOM 1152 NE2 GLN A 79 -11.191 11.969 13.348 1.00 0.00 N ATOM 0 H GLN A 79 -9.393 9.944 8.718 1.00 0.00 H new ATOM 0 HA GLN A 79 -9.417 12.687 8.630 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -10.824 12.566 10.508 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -11.039 11.013 9.726 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -9.634 9.904 11.335 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -9.075 11.426 11.999 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -10.542 12.749 13.249 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -11.933 12.009 14.046 1.00 0.00 H new ATOM 1161 N GLU A 80 -7.110 11.550 10.645 1.00 0.00 N ATOM 1162 CA GLU A 80 -5.953 11.930 11.448 1.00 0.00 C ATOM 1163 C GLU A 80 -4.949 12.722 10.615 1.00 0.00 C ATOM 1164 O GLU A 80 -4.525 13.810 11.004 1.00 0.00 O ATOM 1165 CB GLU A 80 -5.280 10.687 12.032 1.00 0.00 C ATOM 1166 CG GLU A 80 -6.014 10.101 13.226 1.00 0.00 C ATOM 1167 CD GLU A 80 -5.096 9.336 14.158 1.00 0.00 C ATOM 1168 OE1 GLU A 80 -4.709 8.201 13.811 1.00 0.00 O ATOM 1169 OE2 GLU A 80 -4.763 9.873 15.236 1.00 0.00 O ATOM 0 H GLU A 80 -7.199 10.547 10.481 1.00 0.00 H new ATOM 0 HA GLU A 80 -6.301 12.563 12.264 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -5.203 9.927 11.255 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.263 10.941 12.331 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.499 10.905 13.779 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.802 9.436 12.872 1.00 0.00 H new ATOM 1176 N ALA A 81 -4.574 12.167 9.467 1.00 0.00 N ATOM 1177 CA ALA A 81 -3.621 12.821 8.578 1.00 0.00 C ATOM 1178 C ALA A 81 -4.140 14.181 8.123 1.00 0.00 C ATOM 1179 O ALA A 81 -3.361 15.067 7.772 1.00 0.00 O ATOM 1180 CB ALA A 81 -3.328 11.937 7.376 1.00 0.00 C ATOM 0 H ALA A 81 -4.915 11.267 9.131 1.00 0.00 H new ATOM 0 HA ALA A 81 -2.696 12.981 9.131 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.615 12.438 6.721 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.907 10.990 7.715 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -4.252 11.748 6.830 1.00 0.00 H new ATOM 1186 N ALA A 82 -5.459 14.339 8.130 1.00 0.00 N ATOM 1187 CA ALA A 82 -6.081 15.592 7.720 1.00 0.00 C ATOM 1188 C ALA A 82 -6.217 16.550 8.898 1.00 0.00 C ATOM 1189 O ALA A 82 -6.368 17.758 8.715 1.00 0.00 O ATOM 1190 CB ALA A 82 -7.442 15.325 7.094 1.00 0.00 C ATOM 0 H ALA A 82 -6.118 13.615 8.415 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.437 16.062 6.977 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -7.895 16.269 6.792 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -7.321 14.685 6.220 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -8.086 14.829 7.821 1.00 0.00 H new ATOM 1196 N SER A 83 -6.164 16.003 10.109 1.00 0.00 N ATOM 1197 CA SER A 83 -6.286 16.808 11.318 1.00 0.00 C ATOM 1198 C SER A 83 -4.915 17.092 11.923 1.00 0.00 C ATOM 1199 O SER A 83 -4.792 17.857 12.879 1.00 0.00 O ATOM 1200 CB SER A 83 -7.172 16.097 12.343 1.00 0.00 C ATOM 1201 OG SER A 83 -7.364 16.899 13.495 1.00 0.00 O ATOM 0 H SER A 83 -6.037 15.005 10.278 1.00 0.00 H new ATOM 0 HA SER A 83 -6.747 17.758 11.047 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.137 15.863 11.894 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.715 15.149 12.628 1.00 0.00 H new ATOM 0 HG SER A 83 -6.578 17.469 13.632 1.00 0.00 H new ATOM 1207 N SER A 84 -3.886 16.468 11.358 1.00 0.00 N ATOM 1208 CA SER A 84 -2.523 16.649 11.843 1.00 0.00 C ATOM 1209 C SER A 84 -1.739 17.584 10.926 1.00 0.00 C ATOM 1210 O SER A 84 -1.246 18.626 11.358 1.00 0.00 O ATOM 1211 CB SER A 84 -1.810 15.299 11.942 1.00 0.00 C ATOM 1212 OG SER A 84 -1.773 14.649 10.683 1.00 0.00 O ATOM 0 H SER A 84 -3.971 15.833 10.564 1.00 0.00 H new ATOM 0 HA SER A 84 -2.574 17.099 12.835 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.794 15.447 12.309 1.00 0.00 H new ATOM 0 HB3 SER A 84 -2.322 14.666 12.667 1.00 0.00 H new ATOM 0 HG SER A 84 -0.842 14.475 10.432 1.00 0.00 H new ATOM 1218 N PHE A 85 -1.629 17.204 9.658 1.00 0.00 N ATOM 1219 CA PHE A 85 -0.906 18.006 8.679 1.00 0.00 C ATOM 1220 C PHE A 85 -1.873 18.751 7.763 1.00 0.00 C ATOM 1221 O PHE A 85 -1.723 19.948 7.524 1.00 0.00 O ATOM 1222 CB PHE A 85 0.022 17.119 7.846 1.00 0.00 C ATOM 1223 CG PHE A 85 0.868 16.194 8.673 1.00 0.00 C ATOM 1224 CD1 PHE A 85 0.399 14.942 9.035 1.00 0.00 C ATOM 1225 CD2 PHE A 85 2.134 16.576 9.087 1.00 0.00 C ATOM 1226 CE1 PHE A 85 1.175 14.089 9.797 1.00 0.00 C ATOM 1227 CE2 PHE A 85 2.916 15.728 9.849 1.00 0.00 C ATOM 1228 CZ PHE A 85 2.436 14.482 10.203 1.00 0.00 C ATOM 0 H PHE A 85 -2.032 16.345 9.284 1.00 0.00 H new ATOM 0 HA PHE A 85 -0.308 18.740 9.220 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -0.578 16.528 7.154 1.00 0.00 H new ATOM 0 HB3 PHE A 85 0.673 17.753 7.243 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -0.585 14.629 8.718 1.00 0.00 H new ATOM 0 HD2 PHE A 85 2.515 17.548 8.811 1.00 0.00 H new ATOM 0 HE1 PHE A 85 0.796 13.116 10.075 1.00 0.00 H new ATOM 0 HE2 PHE A 85 3.900 16.039 10.167 1.00 0.00 H new ATOM 0 HZ PHE A 85 3.045 13.816 10.796 1.00 0.00 H new ATOM 1238 N GLY A 86 -2.868 18.031 7.253 1.00 0.00 N ATOM 1239 CA GLY A 86 -3.846 18.638 6.369 1.00 0.00 C ATOM 1240 C GLY A 86 -4.265 17.712 5.245 1.00 0.00 C ATOM 1241 O GLY A 86 -5.406 17.759 4.785 1.00 0.00 O ATOM 0 H GLY A 86 -3.014 17.038 7.436 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -4.725 18.924 6.947 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -3.431 19.553 5.946 1.00 0.00 H new ATOM 1245 N ASP A 87 -3.341 16.868 4.800 1.00 0.00 N ATOM 1246 CA ASP A 87 -3.621 15.926 3.722 1.00 0.00 C ATOM 1247 C ASP A 87 -4.194 14.624 4.272 1.00 0.00 C ATOM 1248 O ASP A 87 -3.786 14.156 5.336 1.00 0.00 O ATOM 1249 CB ASP A 87 -2.349 15.641 2.922 1.00 0.00 C ATOM 1250 CG ASP A 87 -1.801 16.881 2.244 1.00 0.00 C ATOM 1251 OD1 ASP A 87 -2.437 17.361 1.283 1.00 0.00 O ATOM 1252 OD2 ASP A 87 -0.735 17.371 2.673 1.00 0.00 O ATOM 0 H ASP A 87 -2.391 16.817 5.169 1.00 0.00 H new ATOM 0 HA ASP A 87 -4.362 16.377 3.062 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -1.590 15.229 3.587 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.560 14.882 2.169 1.00 0.00 H new ATOM 1257 N ASP A 88 -5.141 14.045 3.543 1.00 0.00 N ATOM 1258 CA ASP A 88 -5.770 12.796 3.958 1.00 0.00 C ATOM 1259 C ASP A 88 -5.185 11.613 3.193 1.00 0.00 C ATOM 1260 O ASP A 88 -5.814 10.560 3.085 1.00 0.00 O ATOM 1261 CB ASP A 88 -7.282 12.865 3.738 1.00 0.00 C ATOM 1262 CG ASP A 88 -7.658 12.793 2.272 1.00 0.00 C ATOM 1263 OD1 ASP A 88 -6.962 13.423 1.448 1.00 0.00 O ATOM 1264 OD2 ASP A 88 -8.648 12.105 1.947 1.00 0.00 O ATOM 0 H ASP A 88 -5.490 14.420 2.661 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.571 12.652 5.020 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -7.762 12.046 4.274 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -7.666 13.792 4.163 1.00 0.00 H new ATOM 1269 N ARG A 89 -3.980 11.794 2.663 1.00 0.00 N ATOM 1270 CA ARG A 89 -3.312 10.742 1.906 1.00 0.00 C ATOM 1271 C ARG A 89 -2.892 9.596 2.822 1.00 0.00 C ATOM 1272 O ARG A 89 -2.202 9.806 3.821 1.00 0.00 O ATOM 1273 CB ARG A 89 -2.088 11.305 1.182 1.00 0.00 C ATOM 1274 CG ARG A 89 -2.435 12.252 0.045 1.00 0.00 C ATOM 1275 CD ARG A 89 -1.187 12.862 -0.573 1.00 0.00 C ATOM 1276 NE ARG A 89 -1.378 13.189 -1.983 1.00 0.00 N ATOM 1277 CZ ARG A 89 -0.377 13.402 -2.830 1.00 0.00 C ATOM 1278 NH1 ARG A 89 0.879 13.324 -2.411 1.00 0.00 N ATOM 1279 NH2 ARG A 89 -0.631 13.694 -4.099 1.00 0.00 N ATOM 0 H ARG A 89 -3.446 12.659 2.744 1.00 0.00 H new ATOM 0 HA ARG A 89 -4.016 10.356 1.169 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.460 11.830 1.902 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -1.498 10.478 0.787 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -2.995 11.714 -0.720 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -3.084 13.046 0.416 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -0.915 13.764 -0.025 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -0.355 12.165 -0.472 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.332 13.258 -2.337 1.00 0.00 H new ATOM 0 HH11 ARG A 89 1.078 13.100 -1.436 1.00 0.00 H new ATOM 0 HH12 ARG A 89 1.645 13.488 -3.064 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -1.596 13.755 -4.425 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.138 13.857 -4.749 1.00 0.00 H new ATOM 1293 N LEU A 90 -3.313 8.385 2.477 1.00 0.00 N ATOM 1294 CA LEU A 90 -2.982 7.205 3.268 1.00 0.00 C ATOM 1295 C LEU A 90 -2.027 6.290 2.507 1.00 0.00 C ATOM 1296 O LEU A 90 -1.837 6.440 1.299 1.00 0.00 O ATOM 1297 CB LEU A 90 -4.254 6.440 3.637 1.00 0.00 C ATOM 1298 CG LEU A 90 -5.074 7.019 4.791 1.00 0.00 C ATOM 1299 CD1 LEU A 90 -6.210 6.079 5.163 1.00 0.00 C ATOM 1300 CD2 LEU A 90 -4.184 7.287 5.996 1.00 0.00 C ATOM 0 H LEU A 90 -3.885 8.194 1.654 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.488 7.537 4.181 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.892 6.388 2.755 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.978 5.417 3.891 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.505 7.966 4.466 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.782 6.508 5.986 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -6.863 5.938 4.301 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -5.800 5.116 5.469 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.784 7.699 6.807 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.723 6.355 6.322 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.406 8.000 5.722 1.00 0.00 H new ATOM 1312 N LEU A 91 -1.431 5.341 3.220 1.00 0.00 N ATOM 1313 CA LEU A 91 -0.498 4.399 2.612 1.00 0.00 C ATOM 1314 C LEU A 91 -0.810 2.969 3.042 1.00 0.00 C ATOM 1315 O LEU A 91 -1.479 2.746 4.052 1.00 0.00 O ATOM 1316 CB LEU A 91 0.939 4.756 2.994 1.00 0.00 C ATOM 1317 CG LEU A 91 1.507 6.025 2.357 1.00 0.00 C ATOM 1318 CD1 LEU A 91 2.924 6.281 2.849 1.00 0.00 C ATOM 1319 CD2 LEU A 91 1.479 5.918 0.839 1.00 0.00 C ATOM 0 H LEU A 91 -1.577 5.203 4.220 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.607 4.465 1.529 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.990 4.863 4.078 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.584 3.919 2.726 1.00 0.00 H new ATOM 0 HG LEU A 91 0.883 6.868 2.654 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.312 7.188 2.385 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.917 6.402 3.932 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.560 5.437 2.583 1.00 0.00 H new ATOM 0 HD21 LEU A 91 1.887 6.830 0.402 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.079 5.065 0.523 1.00 0.00 H new ATOM 0 HD23 LEU A 91 0.451 5.783 0.503 1.00 0.00 H new ATOM 1331 N ILE A 92 -0.320 2.004 2.271 1.00 0.00 N ATOM 1332 CA ILE A 92 -0.544 0.596 2.574 1.00 0.00 C ATOM 1333 C ILE A 92 0.701 -0.234 2.280 1.00 0.00 C ATOM 1334 O ILE A 92 1.221 -0.217 1.165 1.00 0.00 O ATOM 1335 CB ILE A 92 -1.727 0.028 1.769 1.00 0.00 C ATOM 1336 CG1 ILE A 92 -2.946 0.945 1.898 1.00 0.00 C ATOM 1337 CG2 ILE A 92 -2.063 -1.378 2.242 1.00 0.00 C ATOM 1338 CD1 ILE A 92 -4.197 0.380 1.261 1.00 0.00 C ATOM 0 H ILE A 92 0.235 2.172 1.432 1.00 0.00 H new ATOM 0 HA ILE A 92 -0.776 0.535 3.637 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.442 -0.022 0.718 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.139 1.133 2.954 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -2.717 1.907 1.439 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -2.901 -1.766 1.663 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -1.197 -2.025 2.104 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -2.332 -1.352 3.298 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -5.020 1.082 1.391 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -4.022 0.218 0.197 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -4.451 -0.568 1.736 1.00 0.00 H new ATOM 1350 N GLU A 93 1.173 -0.961 3.289 1.00 0.00 N ATOM 1351 CA GLU A 93 2.356 -1.799 3.137 1.00 0.00 C ATOM 1352 C GLU A 93 2.122 -3.184 3.732 1.00 0.00 C ATOM 1353 O GLU A 93 1.250 -3.369 4.582 1.00 0.00 O ATOM 1354 CB GLU A 93 3.563 -1.141 3.809 1.00 0.00 C ATOM 1355 CG GLU A 93 4.019 0.137 3.124 1.00 0.00 C ATOM 1356 CD GLU A 93 5.423 0.546 3.528 1.00 0.00 C ATOM 1357 OE1 GLU A 93 5.833 0.216 4.660 1.00 0.00 O ATOM 1358 OE2 GLU A 93 6.110 1.195 2.712 1.00 0.00 O ATOM 0 H GLU A 93 0.754 -0.986 4.219 1.00 0.00 H new ATOM 0 HA GLU A 93 2.557 -1.910 2.071 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.314 -0.918 4.847 1.00 0.00 H new ATOM 0 HB3 GLU A 93 4.391 -1.850 3.825 1.00 0.00 H new ATOM 0 HG2 GLU A 93 3.981 -0.001 2.043 1.00 0.00 H new ATOM 0 HG3 GLU A 93 3.326 0.942 3.367 1.00 0.00 H new ATOM 1365 N LYS A 94 2.906 -4.157 3.279 1.00 0.00 N ATOM 1366 CA LYS A 94 2.786 -5.526 3.766 1.00 0.00 C ATOM 1367 C LYS A 94 3.167 -5.615 5.240 1.00 0.00 C ATOM 1368 O LYS A 94 4.220 -5.126 5.650 1.00 0.00 O ATOM 1369 CB LYS A 94 3.673 -6.461 2.941 1.00 0.00 C ATOM 1370 CG LYS A 94 3.795 -7.858 3.527 1.00 0.00 C ATOM 1371 CD LYS A 94 2.549 -8.686 3.257 1.00 0.00 C ATOM 1372 CE LYS A 94 2.877 -10.167 3.153 1.00 0.00 C ATOM 1373 NZ LYS A 94 3.461 -10.514 1.828 1.00 0.00 N ATOM 0 H LYS A 94 3.632 -4.022 2.575 1.00 0.00 H new ATOM 0 HA LYS A 94 1.746 -5.834 3.659 1.00 0.00 H new ATOM 0 HB2 LYS A 94 3.269 -6.534 1.931 1.00 0.00 H new ATOM 0 HB3 LYS A 94 4.668 -6.023 2.856 1.00 0.00 H new ATOM 0 HG2 LYS A 94 4.665 -8.358 3.101 1.00 0.00 H new ATOM 0 HG3 LYS A 94 3.962 -7.790 4.602 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.825 -8.528 4.056 1.00 0.00 H new ATOM 0 HD3 LYS A 94 2.081 -8.350 2.332 1.00 0.00 H new ATOM 0 HE2 LYS A 94 3.578 -10.440 3.942 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.972 -10.752 3.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 3.671 -11.532 1.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 2.782 -10.277 1.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 4.339 -9.975 1.684 1.00 0.00 H new ATOM 1387 N PHE A 95 2.305 -6.243 6.033 1.00 0.00 N ATOM 1388 CA PHE A 95 2.552 -6.397 7.462 1.00 0.00 C ATOM 1389 C PHE A 95 3.037 -7.808 7.781 1.00 0.00 C ATOM 1390 O PHE A 95 2.306 -8.782 7.599 1.00 0.00 O ATOM 1391 CB PHE A 95 1.281 -6.090 8.256 1.00 0.00 C ATOM 1392 CG PHE A 95 1.488 -6.095 9.744 1.00 0.00 C ATOM 1393 CD1 PHE A 95 2.274 -5.129 10.350 1.00 0.00 C ATOM 1394 CD2 PHE A 95 0.896 -7.066 10.536 1.00 0.00 C ATOM 1395 CE1 PHE A 95 2.467 -5.130 11.719 1.00 0.00 C ATOM 1396 CE2 PHE A 95 1.085 -7.072 11.905 1.00 0.00 C ATOM 1397 CZ PHE A 95 1.872 -6.104 12.497 1.00 0.00 C ATOM 0 H PHE A 95 1.429 -6.654 5.710 1.00 0.00 H new ATOM 0 HA PHE A 95 3.331 -5.691 7.749 1.00 0.00 H new ATOM 0 HB2 PHE A 95 0.900 -5.115 7.953 1.00 0.00 H new ATOM 0 HB3 PHE A 95 0.517 -6.824 8.001 1.00 0.00 H new ATOM 0 HD1 PHE A 95 2.742 -4.366 9.746 1.00 0.00 H new ATOM 0 HD2 PHE A 95 0.280 -7.826 10.078 1.00 0.00 H new ATOM 0 HE1 PHE A 95 3.082 -4.371 12.179 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.617 -7.833 12.512 1.00 0.00 H new ATOM 0 HZ PHE A 95 2.022 -6.108 13.567 1.00 0.00 H new ATOM 1407 N ILE A 96 4.273 -7.908 8.258 1.00 0.00 N ATOM 1408 CA ILE A 96 4.855 -9.199 8.604 1.00 0.00 C ATOM 1409 C ILE A 96 5.390 -9.196 10.032 1.00 0.00 C ATOM 1410 O ILE A 96 6.375 -8.522 10.335 1.00 0.00 O ATOM 1411 CB ILE A 96 5.996 -9.578 7.641 1.00 0.00 C ATOM 1412 CG1 ILE A 96 5.604 -9.251 6.198 1.00 0.00 C ATOM 1413 CG2 ILE A 96 6.339 -11.053 7.782 1.00 0.00 C ATOM 1414 CD1 ILE A 96 6.631 -9.692 5.179 1.00 0.00 C ATOM 0 H ILE A 96 4.890 -7.111 8.414 1.00 0.00 H new ATOM 0 HA ILE A 96 4.058 -9.938 8.519 1.00 0.00 H new ATOM 0 HB ILE A 96 6.879 -8.994 7.899 1.00 0.00 H new ATOM 0 HG12 ILE A 96 4.651 -9.729 5.972 1.00 0.00 H new ATOM 0 HG13 ILE A 96 5.451 -8.176 6.106 1.00 0.00 H new ATOM 0 HG21 ILE A 96 7.147 -11.306 7.095 1.00 0.00 H new ATOM 0 HG22 ILE A 96 6.655 -11.257 8.805 1.00 0.00 H new ATOM 0 HG23 ILE A 96 5.461 -11.655 7.547 1.00 0.00 H new ATOM 0 HD11 ILE A 96 6.288 -9.428 4.179 1.00 0.00 H new ATOM 0 HD12 ILE A 96 7.580 -9.194 5.380 1.00 0.00 H new ATOM 0 HD13 ILE A 96 6.767 -10.772 5.243 1.00 0.00 H new