USER MOD reduce.3.24.130724 H: found=0, std=0, add=483, rem=0, adj=11 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 21:sc= 1.13 USER MOD Set 1.2: A 70 THR OG1 : rot 69:sc= 1.85 USER MOD Single : A 32 LYS NZ :NH3+ 141:sc= -0.205 (180deg=-2.82!) USER MOD Single : A 49 MET CE :methyl -168:sc=-0.00458 (180deg=-0.252) USER MOD Single : A 51 LYS NZ :NH3+ 153:sc= -1.23 (180deg=-2.59!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 170:sc= -0.628 USER MOD Single : A 78 SER OG : rot 105:sc= 0.973 USER MOD Single : A 79 GLN : amide:sc= -1.29 X(o=-1.3,f=-1.5) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 79:sc= 0.105 USER MOD Single : A 94 LYS NZ :NH3+ -153:sc= -0.132 (180deg=-0.648) USER MOD ----------------------------------------------------------------- ATOM 368 N PHE A 27 3.756 -1.378 -1.281 1.00 0.00 N ATOM 369 CA PHE A 27 2.926 -0.475 -2.069 1.00 0.00 C ATOM 370 C PHE A 27 2.969 0.941 -1.500 1.00 0.00 C ATOM 371 O PHE A 27 2.703 1.154 -0.317 1.00 0.00 O ATOM 372 CB PHE A 27 1.481 -0.978 -2.106 1.00 0.00 C ATOM 373 CG PHE A 27 0.543 -0.055 -2.830 1.00 0.00 C ATOM 374 CD1 PHE A 27 0.666 0.147 -4.196 1.00 0.00 C ATOM 375 CD2 PHE A 27 -0.461 0.610 -2.147 1.00 0.00 C ATOM 376 CE1 PHE A 27 -0.195 0.996 -4.865 1.00 0.00 C ATOM 377 CE2 PHE A 27 -1.326 1.461 -2.810 1.00 0.00 C ATOM 378 CZ PHE A 27 -1.193 1.653 -4.171 1.00 0.00 C ATOM 0 HA PHE A 27 3.322 -0.452 -3.084 1.00 0.00 H new ATOM 0 HB2 PHE A 27 1.458 -1.956 -2.586 1.00 0.00 H new ATOM 0 HB3 PHE A 27 1.126 -1.115 -1.085 1.00 0.00 H new ATOM 0 HD1 PHE A 27 1.444 -0.365 -4.744 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -0.570 0.462 -1.083 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -0.088 1.146 -5.929 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -2.104 1.974 -2.265 1.00 0.00 H new ATOM 0 HZ PHE A 27 -1.868 2.316 -4.692 1.00 0.00 H new ATOM 388 N ASP A 28 3.307 1.903 -2.350 1.00 0.00 N ATOM 389 CA ASP A 28 3.385 3.299 -1.934 1.00 0.00 C ATOM 390 C ASP A 28 2.205 4.096 -2.481 1.00 0.00 C ATOM 391 O ASP A 28 1.684 4.989 -1.814 1.00 0.00 O ATOM 392 CB ASP A 28 4.700 3.921 -2.406 1.00 0.00 C ATOM 393 CG ASP A 28 5.909 3.106 -1.990 1.00 0.00 C ATOM 394 OD1 ASP A 28 5.938 1.894 -2.290 1.00 0.00 O ATOM 395 OD2 ASP A 28 6.825 3.680 -1.366 1.00 0.00 O ATOM 0 H ASP A 28 3.532 1.743 -3.332 1.00 0.00 H new ATOM 0 HA ASP A 28 3.347 3.331 -0.845 1.00 0.00 H new ATOM 0 HB2 ASP A 28 4.685 4.015 -3.492 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.788 4.929 -2.000 1.00 0.00 H new ATOM 400 N GLY A 29 1.790 3.768 -3.700 1.00 0.00 N ATOM 401 CA GLY A 29 0.676 4.464 -4.317 1.00 0.00 C ATOM 402 C GLY A 29 -0.393 4.850 -3.314 1.00 0.00 C ATOM 403 O GLY A 29 -1.208 4.019 -2.912 1.00 0.00 O ATOM 0 H GLY A 29 2.205 3.032 -4.272 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.043 5.361 -4.815 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.236 3.829 -5.086 1.00 0.00 H new ATOM 407 N VAL A 30 -0.391 6.115 -2.907 1.00 0.00 N ATOM 408 CA VAL A 30 -1.367 6.610 -1.943 1.00 0.00 C ATOM 409 C VAL A 30 -2.781 6.189 -2.329 1.00 0.00 C ATOM 410 O VAL A 30 -3.167 6.264 -3.495 1.00 0.00 O ATOM 411 CB VAL A 30 -1.314 8.145 -1.828 1.00 0.00 C ATOM 412 CG1 VAL A 30 -1.725 8.794 -3.141 1.00 0.00 C ATOM 413 CG2 VAL A 30 -2.197 8.624 -0.687 1.00 0.00 C ATOM 0 H VAL A 30 0.276 6.816 -3.230 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.110 6.172 -0.978 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.288 8.440 -1.611 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.681 9.878 -3.040 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.046 8.476 -3.932 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.742 8.494 -3.393 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.148 9.711 -0.620 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.227 8.318 -0.871 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.851 8.187 0.249 1.00 0.00 H new ATOM 423 N VAL A 31 -3.551 5.746 -1.340 1.00 0.00 N ATOM 424 CA VAL A 31 -4.924 5.315 -1.574 1.00 0.00 C ATOM 425 C VAL A 31 -5.815 6.495 -1.944 1.00 0.00 C ATOM 426 O VAL A 31 -5.473 7.650 -1.688 1.00 0.00 O ATOM 427 CB VAL A 31 -5.510 4.611 -0.336 1.00 0.00 C ATOM 428 CG1 VAL A 31 -6.768 3.840 -0.705 1.00 0.00 C ATOM 429 CG2 VAL A 31 -4.475 3.688 0.292 1.00 0.00 C ATOM 0 H VAL A 31 -3.247 5.676 -0.369 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.897 4.610 -2.405 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.780 5.370 0.398 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.168 3.349 0.183 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.512 4.528 -1.105 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.527 3.089 -1.457 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.906 3.199 1.165 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.172 2.933 -0.434 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.605 4.270 0.595 1.00 0.00 H new ATOM 439 N LYS A 32 -6.961 6.197 -2.547 1.00 0.00 N ATOM 440 CA LYS A 32 -7.905 7.232 -2.951 1.00 0.00 C ATOM 441 C LYS A 32 -9.144 7.216 -2.062 1.00 0.00 C ATOM 442 O LYS A 32 -9.644 8.266 -1.658 1.00 0.00 O ATOM 443 CB LYS A 32 -8.311 7.038 -4.413 1.00 0.00 C ATOM 444 CG LYS A 32 -7.131 6.897 -5.359 1.00 0.00 C ATOM 445 CD LYS A 32 -6.648 8.250 -5.854 1.00 0.00 C ATOM 446 CE LYS A 32 -5.580 8.830 -4.939 1.00 0.00 C ATOM 447 NZ LYS A 32 -4.211 8.418 -5.353 1.00 0.00 N ATOM 0 H LYS A 32 -7.258 5.246 -2.767 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.414 8.199 -2.842 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.938 6.150 -4.492 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -8.919 7.886 -4.728 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -6.316 6.382 -4.851 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -7.417 6.278 -6.210 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -6.248 8.148 -6.863 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.491 8.939 -5.914 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -5.649 9.918 -4.944 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.763 8.504 -3.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -3.557 9.217 -5.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -3.895 7.621 -4.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -4.223 8.127 -6.352 1.00 0.00 H new ATOM 461 N ASP A 33 -9.634 6.019 -1.759 1.00 0.00 N ATOM 462 CA ASP A 33 -10.814 5.866 -0.915 1.00 0.00 C ATOM 463 C ASP A 33 -10.794 4.523 -0.192 1.00 0.00 C ATOM 464 O ASP A 33 -10.045 3.619 -0.561 1.00 0.00 O ATOM 465 CB ASP A 33 -12.086 5.990 -1.754 1.00 0.00 C ATOM 466 CG ASP A 33 -11.943 5.352 -3.122 1.00 0.00 C ATOM 467 OD1 ASP A 33 -11.796 4.113 -3.187 1.00 0.00 O ATOM 468 OD2 ASP A 33 -11.978 6.091 -4.128 1.00 0.00 O ATOM 0 H ASP A 33 -9.232 5.140 -2.085 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.803 6.660 -0.168 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -12.915 5.522 -1.223 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -12.338 7.044 -1.873 1.00 0.00 H new ATOM 473 N ALA A 34 -11.622 4.400 0.840 1.00 0.00 N ATOM 474 CA ALA A 34 -11.701 3.167 1.614 1.00 0.00 C ATOM 475 C ALA A 34 -11.833 1.953 0.701 1.00 0.00 C ATOM 476 O ALA A 34 -11.082 0.987 0.826 1.00 0.00 O ATOM 477 CB ALA A 34 -12.870 3.229 2.586 1.00 0.00 C ATOM 0 H ALA A 34 -12.248 5.139 1.160 1.00 0.00 H new ATOM 0 HA ALA A 34 -10.776 3.063 2.181 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -12.917 2.302 3.158 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.733 4.069 3.267 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -13.799 3.361 2.030 1.00 0.00 H new ATOM 483 N GLU A 35 -12.794 2.010 -0.217 1.00 0.00 N ATOM 484 CA GLU A 35 -13.024 0.913 -1.149 1.00 0.00 C ATOM 485 C GLU A 35 -11.721 0.483 -1.816 1.00 0.00 C ATOM 486 O GLU A 35 -11.379 -0.699 -1.829 1.00 0.00 O ATOM 487 CB GLU A 35 -14.043 1.325 -2.214 1.00 0.00 C ATOM 488 CG GLU A 35 -15.459 1.466 -1.680 1.00 0.00 C ATOM 489 CD GLU A 35 -16.486 1.620 -2.785 1.00 0.00 C ATOM 490 OE1 GLU A 35 -16.444 0.828 -3.749 1.00 0.00 O ATOM 491 OE2 GLU A 35 -17.333 2.532 -2.683 1.00 0.00 O ATOM 0 H GLU A 35 -13.424 2.803 -0.334 1.00 0.00 H new ATOM 0 HA GLU A 35 -13.419 0.068 -0.585 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -13.733 2.273 -2.653 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -14.038 0.586 -3.015 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -15.706 0.591 -1.079 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -15.510 2.331 -1.019 1.00 0.00 H new ATOM 498 N GLU A 36 -10.999 1.452 -2.370 1.00 0.00 N ATOM 499 CA GLU A 36 -9.734 1.173 -3.040 1.00 0.00 C ATOM 500 C GLU A 36 -8.731 0.552 -2.072 1.00 0.00 C ATOM 501 O GLU A 36 -7.977 -0.350 -2.437 1.00 0.00 O ATOM 502 CB GLU A 36 -9.154 2.457 -3.638 1.00 0.00 C ATOM 503 CG GLU A 36 -7.752 2.288 -4.198 1.00 0.00 C ATOM 504 CD GLU A 36 -7.749 1.698 -5.595 1.00 0.00 C ATOM 505 OE1 GLU A 36 -8.386 2.293 -6.491 1.00 0.00 O ATOM 506 OE2 GLU A 36 -7.111 0.644 -5.793 1.00 0.00 O ATOM 0 H GLU A 36 -11.268 2.436 -2.368 1.00 0.00 H new ATOM 0 HA GLU A 36 -9.927 0.461 -3.843 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.813 2.808 -4.432 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -9.139 3.231 -2.870 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.253 3.257 -4.216 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.175 1.644 -3.534 1.00 0.00 H new ATOM 513 N ALA A 37 -8.729 1.041 -0.837 1.00 0.00 N ATOM 514 CA ALA A 37 -7.820 0.534 0.184 1.00 0.00 C ATOM 515 C ALA A 37 -8.016 -0.963 0.398 1.00 0.00 C ATOM 516 O ALA A 37 -7.054 -1.701 0.610 1.00 0.00 O ATOM 517 CB ALA A 37 -8.022 1.286 1.491 1.00 0.00 C ATOM 0 H ALA A 37 -9.347 1.788 -0.519 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.799 0.695 -0.161 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.337 0.897 2.244 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.825 2.347 1.335 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -9.049 1.154 1.832 1.00 0.00 H new ATOM 523 N VAL A 38 -9.268 -1.406 0.342 1.00 0.00 N ATOM 524 CA VAL A 38 -9.590 -2.816 0.529 1.00 0.00 C ATOM 525 C VAL A 38 -9.063 -3.658 -0.628 1.00 0.00 C ATOM 526 O VAL A 38 -8.526 -4.746 -0.422 1.00 0.00 O ATOM 527 CB VAL A 38 -11.109 -3.032 0.657 1.00 0.00 C ATOM 528 CG1 VAL A 38 -11.431 -4.516 0.749 1.00 0.00 C ATOM 529 CG2 VAL A 38 -11.654 -2.284 1.865 1.00 0.00 C ATOM 0 H VAL A 38 -10.076 -0.809 0.169 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.107 -3.132 1.454 1.00 0.00 H new ATOM 0 HB VAL A 38 -11.592 -2.634 -0.236 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -12.509 -4.649 0.839 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -11.076 -5.022 -0.149 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.939 -4.942 1.623 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -12.729 -2.448 1.940 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.167 -2.649 2.769 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.457 -1.218 1.752 1.00 0.00 H new ATOM 539 N ARG A 39 -9.221 -3.146 -1.844 1.00 0.00 N ATOM 540 CA ARG A 39 -8.762 -3.852 -3.035 1.00 0.00 C ATOM 541 C ARG A 39 -7.244 -4.007 -3.023 1.00 0.00 C ATOM 542 O ARG A 39 -6.723 -5.121 -3.090 1.00 0.00 O ATOM 543 CB ARG A 39 -9.199 -3.106 -4.296 1.00 0.00 C ATOM 544 CG ARG A 39 -10.695 -2.843 -4.361 1.00 0.00 C ATOM 545 CD ARG A 39 -11.169 -2.672 -5.795 1.00 0.00 C ATOM 546 NE ARG A 39 -12.335 -1.796 -5.885 1.00 0.00 N ATOM 547 CZ ARG A 39 -12.815 -1.327 -7.032 1.00 0.00 C ATOM 548 NH1 ARG A 39 -12.232 -1.648 -8.179 1.00 0.00 N ATOM 549 NH2 ARG A 39 -13.880 -0.536 -7.032 1.00 0.00 N ATOM 0 H ARG A 39 -9.663 -2.246 -2.031 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.212 -4.845 -3.035 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -8.669 -2.155 -4.347 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -8.902 -3.684 -5.171 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -11.231 -3.670 -3.896 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -10.933 -1.946 -3.789 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -10.359 -2.261 -6.398 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -11.415 -3.648 -6.214 1.00 0.00 H new ATOM 0 HE ARG A 39 -12.806 -1.530 -5.020 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -11.413 -2.256 -8.182 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -12.602 -1.287 -9.058 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -14.331 -0.288 -6.151 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -14.248 -0.176 -7.913 1.00 0.00 H new ATOM 563 N ILE A 40 -6.540 -2.883 -2.939 1.00 0.00 N ATOM 564 CA ILE A 40 -5.083 -2.894 -2.919 1.00 0.00 C ATOM 565 C ILE A 40 -4.555 -3.850 -1.854 1.00 0.00 C ATOM 566 O ILE A 40 -3.689 -4.681 -2.125 1.00 0.00 O ATOM 567 CB ILE A 40 -4.512 -1.487 -2.658 1.00 0.00 C ATOM 568 CG1 ILE A 40 -5.014 -0.505 -3.719 1.00 0.00 C ATOM 569 CG2 ILE A 40 -2.992 -1.527 -2.643 1.00 0.00 C ATOM 570 CD1 ILE A 40 -4.828 0.946 -3.335 1.00 0.00 C ATOM 0 H ILE A 40 -6.956 -1.953 -2.884 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.757 -3.233 -3.902 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.857 -1.146 -1.682 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -4.489 -0.695 -4.655 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.072 -0.691 -3.903 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.603 -0.526 -2.458 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.653 -2.199 -1.855 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -2.628 -1.885 -3.606 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -5.206 1.585 -4.133 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.376 1.152 -2.415 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.768 1.148 -3.179 1.00 0.00 H new ATOM 582 N ALA A 41 -5.085 -3.726 -0.641 1.00 0.00 N ATOM 583 CA ALA A 41 -4.671 -4.581 0.464 1.00 0.00 C ATOM 584 C ALA A 41 -4.858 -6.054 0.118 1.00 0.00 C ATOM 585 O ALA A 41 -4.001 -6.886 0.417 1.00 0.00 O ATOM 586 CB ALA A 41 -5.449 -4.229 1.723 1.00 0.00 C ATOM 0 H ALA A 41 -5.802 -3.042 -0.399 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.610 -4.410 0.646 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.130 -4.875 2.541 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.261 -3.189 1.988 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.515 -4.370 1.544 1.00 0.00 H new ATOM 592 N ARG A 42 -5.984 -6.371 -0.512 1.00 0.00 N ATOM 593 CA ARG A 42 -6.284 -7.745 -0.896 1.00 0.00 C ATOM 594 C ARG A 42 -5.217 -8.291 -1.840 1.00 0.00 C ATOM 595 O ARG A 42 -4.906 -9.481 -1.819 1.00 0.00 O ATOM 596 CB ARG A 42 -7.658 -7.822 -1.564 1.00 0.00 C ATOM 597 CG ARG A 42 -8.817 -7.734 -0.585 1.00 0.00 C ATOM 598 CD ARG A 42 -10.139 -7.512 -1.303 1.00 0.00 C ATOM 599 NE ARG A 42 -10.743 -8.768 -1.740 1.00 0.00 N ATOM 600 CZ ARG A 42 -10.434 -9.374 -2.881 1.00 0.00 C ATOM 601 NH1 ARG A 42 -9.533 -8.842 -3.696 1.00 0.00 N ATOM 602 NH2 ARG A 42 -11.027 -10.515 -3.209 1.00 0.00 N ATOM 0 H ARG A 42 -6.704 -5.695 -0.767 1.00 0.00 H new ATOM 0 HA ARG A 42 -6.292 -8.355 0.008 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.745 -7.014 -2.291 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.731 -8.758 -2.118 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -8.870 -8.652 0.001 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -8.641 -6.918 0.116 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.828 -6.990 -0.640 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -9.978 -6.867 -2.167 1.00 0.00 H new ATOM 0 HE ARG A 42 -11.440 -9.204 -1.136 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -9.075 -7.965 -3.447 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -9.298 -9.310 -4.571 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -11.721 -10.927 -2.585 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -10.789 -10.980 -4.085 1.00 0.00 H new ATOM 616 N GLU A 43 -4.661 -7.412 -2.668 1.00 0.00 N ATOM 617 CA GLU A 43 -3.629 -7.807 -3.621 1.00 0.00 C ATOM 618 C GLU A 43 -2.297 -8.039 -2.914 1.00 0.00 C ATOM 619 O GLU A 43 -1.588 -9.002 -3.205 1.00 0.00 O ATOM 620 CB GLU A 43 -3.467 -6.737 -4.703 1.00 0.00 C ATOM 621 CG GLU A 43 -4.379 -6.940 -5.901 1.00 0.00 C ATOM 622 CD GLU A 43 -3.824 -7.943 -6.893 1.00 0.00 C ATOM 623 OE1 GLU A 43 -2.726 -7.698 -7.435 1.00 0.00 O ATOM 624 OE2 GLU A 43 -4.488 -8.974 -7.128 1.00 0.00 O ATOM 0 H GLU A 43 -4.907 -6.423 -2.698 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.939 -8.741 -4.089 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.667 -5.758 -4.267 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.431 -6.730 -5.043 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.356 -7.278 -5.556 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.532 -5.985 -6.403 1.00 0.00 H new ATOM 631 N ILE A 44 -1.963 -7.148 -1.986 1.00 0.00 N ATOM 632 CA ILE A 44 -0.717 -7.256 -1.239 1.00 0.00 C ATOM 633 C ILE A 44 -0.691 -8.524 -0.392 1.00 0.00 C ATOM 634 O ILE A 44 0.356 -9.148 -0.222 1.00 0.00 O ATOM 635 CB ILE A 44 -0.503 -6.036 -0.322 1.00 0.00 C ATOM 636 CG1 ILE A 44 -0.304 -4.771 -1.159 1.00 0.00 C ATOM 637 CG2 ILE A 44 0.690 -6.265 0.594 1.00 0.00 C ATOM 638 CD1 ILE A 44 -0.124 -3.519 -0.329 1.00 0.00 C ATOM 0 H ILE A 44 -2.538 -6.344 -1.734 1.00 0.00 H new ATOM 0 HA ILE A 44 0.088 -7.296 -1.973 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.391 -5.904 0.296 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.569 -4.902 -1.798 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -1.164 -4.641 -1.816 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.828 -5.395 1.236 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.511 -7.146 1.211 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.586 -6.419 -0.007 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.012 -2.662 -0.988 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.007 -3.364 0.291 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.753 -3.628 0.309 1.00 0.00 H new ATOM 650 N GLY A 45 -1.852 -8.901 0.135 1.00 0.00 N ATOM 651 CA GLY A 45 -1.941 -10.094 0.956 1.00 0.00 C ATOM 652 C GLY A 45 -1.926 -9.780 2.439 1.00 0.00 C ATOM 653 O GLY A 45 -0.868 -9.531 3.018 1.00 0.00 O ATOM 0 H GLY A 45 -2.732 -8.401 0.008 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.857 -10.632 0.711 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.109 -10.757 0.720 1.00 0.00 H new ATOM 657 N TYR A 46 -3.103 -9.790 3.055 1.00 0.00 N ATOM 658 CA TYR A 46 -3.222 -9.500 4.479 1.00 0.00 C ATOM 659 C TYR A 46 -2.309 -10.408 5.298 1.00 0.00 C ATOM 660 O TYR A 46 -1.954 -11.511 4.884 1.00 0.00 O ATOM 661 CB TYR A 46 -4.672 -9.670 4.936 1.00 0.00 C ATOM 662 CG TYR A 46 -5.592 -8.573 4.449 1.00 0.00 C ATOM 663 CD1 TYR A 46 -5.716 -7.380 5.151 1.00 0.00 C ATOM 664 CD2 TYR A 46 -6.339 -8.730 3.288 1.00 0.00 C ATOM 665 CE1 TYR A 46 -6.556 -6.376 4.711 1.00 0.00 C ATOM 666 CE2 TYR A 46 -7.180 -7.731 2.839 1.00 0.00 C ATOM 667 CZ TYR A 46 -7.286 -6.556 3.554 1.00 0.00 C ATOM 668 OH TYR A 46 -8.124 -5.558 3.111 1.00 0.00 O ATOM 0 H TYR A 46 -3.988 -9.996 2.591 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.916 -8.466 4.640 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -5.046 -10.631 4.581 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.700 -9.700 6.025 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -5.145 -7.236 6.057 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -6.261 -9.649 2.727 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.641 -5.455 5.269 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -7.752 -7.869 1.933 1.00 0.00 H new ATOM 0 HH TYR A 46 -7.851 -4.703 3.504 1.00 0.00 H new ATOM 678 N PRO A 47 -1.921 -9.933 6.491 1.00 0.00 N ATOM 679 CA PRO A 47 -2.337 -8.621 6.995 1.00 0.00 C ATOM 680 C PRO A 47 -1.698 -7.473 6.220 1.00 0.00 C ATOM 681 O PRO A 47 -0.721 -7.667 5.497 1.00 0.00 O ATOM 682 CB PRO A 47 -1.847 -8.626 8.445 1.00 0.00 C ATOM 683 CG PRO A 47 -0.707 -9.585 8.456 1.00 0.00 C ATOM 684 CD PRO A 47 -1.044 -10.641 7.440 1.00 0.00 C ATOM 0 HA PRO A 47 -3.412 -8.468 6.895 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -1.531 -7.631 8.759 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -2.636 -8.941 9.128 1.00 0.00 H new ATOM 0 HG2 PRO A 47 0.227 -9.084 8.203 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.575 -10.023 9.445 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -0.150 -11.027 6.950 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -1.550 -11.492 7.897 1.00 0.00 H new ATOM 692 N VAL A 48 -2.256 -6.277 6.376 1.00 0.00 N ATOM 693 CA VAL A 48 -1.739 -5.097 5.692 1.00 0.00 C ATOM 694 C VAL A 48 -1.669 -3.902 6.636 1.00 0.00 C ATOM 695 O VAL A 48 -2.643 -3.575 7.314 1.00 0.00 O ATOM 696 CB VAL A 48 -2.609 -4.727 4.476 1.00 0.00 C ATOM 697 CG1 VAL A 48 -2.446 -5.758 3.370 1.00 0.00 C ATOM 698 CG2 VAL A 48 -4.069 -4.599 4.885 1.00 0.00 C ATOM 0 H VAL A 48 -3.066 -6.099 6.970 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.735 -5.344 5.348 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.276 -3.762 4.093 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.068 -5.480 2.519 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.402 -5.796 3.059 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -2.751 -6.738 3.738 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.669 -4.337 4.014 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.417 -5.548 5.294 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.168 -3.820 5.641 1.00 0.00 H new ATOM 708 N MET A 49 -0.511 -3.252 6.674 1.00 0.00 N ATOM 709 CA MET A 49 -0.314 -2.091 7.533 1.00 0.00 C ATOM 710 C MET A 49 -0.683 -0.804 6.802 1.00 0.00 C ATOM 711 O MET A 49 -0.358 -0.632 5.627 1.00 0.00 O ATOM 712 CB MET A 49 1.138 -2.022 8.009 1.00 0.00 C ATOM 713 CG MET A 49 1.447 -0.789 8.844 1.00 0.00 C ATOM 714 SD MET A 49 3.212 -0.431 8.928 1.00 0.00 S ATOM 715 CE MET A 49 3.845 -1.991 9.538 1.00 0.00 C ATOM 0 H MET A 49 0.305 -3.510 6.120 1.00 0.00 H new ATOM 0 HA MET A 49 -0.968 -2.196 8.399 1.00 0.00 H new ATOM 0 HB2 MET A 49 1.362 -2.913 8.595 1.00 0.00 H new ATOM 0 HB3 MET A 49 1.797 -2.037 7.141 1.00 0.00 H new ATOM 0 HG2 MET A 49 0.926 0.070 8.422 1.00 0.00 H new ATOM 0 HG3 MET A 49 1.061 -0.932 9.853 1.00 0.00 H new ATOM 0 HE1 MET A 49 4.884 -1.867 9.845 1.00 0.00 H new ATOM 0 HE2 MET A 49 3.251 -2.316 10.392 1.00 0.00 H new ATOM 0 HE3 MET A 49 3.787 -2.741 8.749 1.00 0.00 H new ATOM 725 N ILE A 50 -1.364 0.096 7.503 1.00 0.00 N ATOM 726 CA ILE A 50 -1.775 1.367 6.920 1.00 0.00 C ATOM 727 C ILE A 50 -1.190 2.543 7.694 1.00 0.00 C ATOM 728 O ILE A 50 -1.183 2.548 8.925 1.00 0.00 O ATOM 729 CB ILE A 50 -3.309 1.500 6.888 1.00 0.00 C ATOM 730 CG1 ILE A 50 -3.920 0.410 6.005 1.00 0.00 C ATOM 731 CG2 ILE A 50 -3.710 2.880 6.387 1.00 0.00 C ATOM 732 CD1 ILE A 50 -5.354 0.081 6.355 1.00 0.00 C ATOM 0 H ILE A 50 -1.643 -0.032 8.476 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.395 1.383 5.899 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.690 1.376 7.902 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.873 0.729 4.964 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.317 -0.494 6.089 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -4.797 2.959 6.370 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -3.301 3.641 7.051 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -3.319 3.029 5.380 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.721 -0.699 5.688 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.406 -0.269 7.386 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.970 0.973 6.243 1.00 0.00 H new ATOM 744 N LYS A 51 -0.701 3.539 6.965 1.00 0.00 N ATOM 745 CA LYS A 51 -0.115 4.724 7.581 1.00 0.00 C ATOM 746 C LYS A 51 -0.589 5.993 6.879 1.00 0.00 C ATOM 747 O LYS A 51 -1.270 5.930 5.857 1.00 0.00 O ATOM 748 CB LYS A 51 1.412 4.644 7.539 1.00 0.00 C ATOM 749 CG LYS A 51 1.966 3.313 8.017 1.00 0.00 C ATOM 750 CD LYS A 51 3.248 2.948 7.288 1.00 0.00 C ATOM 751 CE LYS A 51 2.978 2.581 5.837 1.00 0.00 C ATOM 752 NZ LYS A 51 2.718 1.124 5.672 1.00 0.00 N ATOM 0 H LYS A 51 -0.699 3.550 5.945 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.441 4.762 8.620 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.749 4.822 6.518 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.826 5.442 8.155 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.157 3.361 9.089 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.223 2.531 7.861 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.943 3.787 7.329 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.729 2.110 7.793 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.120 3.146 5.473 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.832 2.869 5.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.117 0.971 4.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.620 0.623 5.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.235 0.760 6.518 1.00 0.00 H new ATOM 766 N ALA A 52 -0.221 7.143 7.435 1.00 0.00 N ATOM 767 CA ALA A 52 -0.606 8.426 6.860 1.00 0.00 C ATOM 768 C ALA A 52 0.476 8.954 5.923 1.00 0.00 C ATOM 769 O ALA A 52 1.557 9.343 6.364 1.00 0.00 O ATOM 770 CB ALA A 52 -0.889 9.435 7.963 1.00 0.00 C ATOM 0 H ALA A 52 0.343 7.212 8.282 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.515 8.277 6.277 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.175 10.388 7.519 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.701 9.069 8.591 1.00 0.00 H new ATOM 0 HB3 ALA A 52 0.006 9.571 8.570 1.00 0.00 H new ATOM 776 N SER A 53 0.176 8.963 4.627 1.00 0.00 N ATOM 777 CA SER A 53 1.125 9.438 3.627 1.00 0.00 C ATOM 778 C SER A 53 1.774 10.746 4.072 1.00 0.00 C ATOM 779 O SER A 53 2.991 10.906 3.991 1.00 0.00 O ATOM 780 CB SER A 53 0.424 9.636 2.282 1.00 0.00 C ATOM 781 OG SER A 53 1.328 9.460 1.205 1.00 0.00 O ATOM 0 H SER A 53 -0.716 8.647 4.246 1.00 0.00 H new ATOM 0 HA SER A 53 1.905 8.685 3.515 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.399 8.927 2.190 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.009 10.635 2.238 1.00 0.00 H new ATOM 0 HG SER A 53 0.855 9.590 0.356 1.00 0.00 H new ATOM 787 N ALA A 54 0.951 11.677 4.542 1.00 0.00 N ATOM 788 CA ALA A 54 1.443 12.970 5.002 1.00 0.00 C ATOM 789 C ALA A 54 2.574 12.800 6.010 1.00 0.00 C ATOM 790 O ALA A 54 3.486 13.623 6.080 1.00 0.00 O ATOM 791 CB ALA A 54 0.308 13.781 5.611 1.00 0.00 C ATOM 0 H ALA A 54 -0.060 11.560 4.614 1.00 0.00 H new ATOM 0 HA ALA A 54 1.837 13.508 4.140 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.690 14.744 5.950 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.467 13.942 4.862 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.113 13.239 6.458 1.00 0.00 H new ATOM 871 N ARG A 62 -2.524 2.498 12.257 1.00 0.00 N ATOM 872 CA ARG A 62 -3.294 1.294 12.542 1.00 0.00 C ATOM 873 C ARG A 62 -3.038 0.222 11.487 1.00 0.00 C ATOM 874 O ARG A 62 -2.545 0.515 10.397 1.00 0.00 O ATOM 875 CB ARG A 62 -4.787 1.620 12.602 1.00 0.00 C ATOM 876 CG ARG A 62 -5.630 0.507 13.203 1.00 0.00 C ATOM 877 CD ARG A 62 -7.097 0.900 13.282 1.00 0.00 C ATOM 878 NE ARG A 62 -7.792 0.208 14.365 1.00 0.00 N ATOM 879 CZ ARG A 62 -8.013 -1.102 14.377 1.00 0.00 C ATOM 880 NH1 ARG A 62 -7.595 -1.857 13.371 1.00 0.00 N ATOM 881 NH2 ARG A 62 -8.652 -1.658 15.398 1.00 0.00 N ATOM 0 HA ARG A 62 -2.974 0.909 13.510 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.929 2.528 13.188 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.145 1.832 11.594 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.526 -0.395 12.601 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.262 0.269 14.201 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -7.176 1.977 13.430 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -7.585 0.672 12.334 1.00 0.00 H new ATOM 0 HE ARG A 62 -8.126 0.761 15.155 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -7.102 -1.433 12.585 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -7.766 -2.863 13.383 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -8.974 -1.080 16.174 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -8.822 -2.664 15.407 1.00 0.00 H new ATOM 895 N ILE A 63 -3.374 -1.020 11.819 1.00 0.00 N ATOM 896 CA ILE A 63 -3.181 -2.135 10.900 1.00 0.00 C ATOM 897 C ILE A 63 -4.484 -2.896 10.677 1.00 0.00 C ATOM 898 O ILE A 63 -5.343 -2.946 11.556 1.00 0.00 O ATOM 899 CB ILE A 63 -2.111 -3.113 11.418 1.00 0.00 C ATOM 900 CG1 ILE A 63 -0.795 -2.375 11.675 1.00 0.00 C ATOM 901 CG2 ILE A 63 -1.903 -4.246 10.425 1.00 0.00 C ATOM 902 CD1 ILE A 63 0.231 -3.207 12.412 1.00 0.00 C ATOM 0 H ILE A 63 -3.781 -1.279 12.717 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.845 -1.709 9.954 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.457 -3.540 12.359 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.375 -2.056 10.721 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.000 -1.473 12.251 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.143 -4.929 10.806 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.840 -4.786 10.287 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.576 -3.837 9.469 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.138 -2.620 12.559 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.170 -3.505 13.381 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.466 -4.097 11.828 1.00 0.00 H new ATOM 914 N ALA A 64 -4.622 -3.488 9.495 1.00 0.00 N ATOM 915 CA ALA A 64 -5.818 -4.250 9.158 1.00 0.00 C ATOM 916 C ALA A 64 -5.462 -5.671 8.734 1.00 0.00 C ATOM 917 O ALA A 64 -4.348 -5.932 8.281 1.00 0.00 O ATOM 918 CB ALA A 64 -6.597 -3.548 8.055 1.00 0.00 C ATOM 0 H ALA A 64 -3.921 -3.454 8.755 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.444 -4.310 10.049 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -7.488 -4.128 7.813 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -6.891 -2.555 8.393 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.970 -3.458 7.168 1.00 0.00 H new ATOM 924 N TRP A 65 -6.414 -6.584 8.885 1.00 0.00 N ATOM 925 CA TRP A 65 -6.200 -7.979 8.519 1.00 0.00 C ATOM 926 C TRP A 65 -7.227 -8.435 7.488 1.00 0.00 C ATOM 927 O TRP A 65 -7.072 -9.487 6.867 1.00 0.00 O ATOM 928 CB TRP A 65 -6.274 -8.871 9.759 1.00 0.00 C ATOM 929 CG TRP A 65 -5.148 -8.644 10.722 1.00 0.00 C ATOM 930 CD1 TRP A 65 -4.975 -7.564 11.540 1.00 0.00 C ATOM 931 CD2 TRP A 65 -4.039 -9.516 10.965 1.00 0.00 C ATOM 932 NE1 TRP A 65 -3.825 -7.713 12.277 1.00 0.00 N ATOM 933 CE2 TRP A 65 -3.233 -8.902 11.943 1.00 0.00 C ATOM 934 CE3 TRP A 65 -3.650 -10.757 10.452 1.00 0.00 C ATOM 935 CZ2 TRP A 65 -2.062 -9.488 12.416 1.00 0.00 C ATOM 936 CZ3 TRP A 65 -2.487 -11.336 10.923 1.00 0.00 C ATOM 937 CH2 TRP A 65 -1.704 -10.702 11.897 1.00 0.00 C ATOM 0 H TRP A 65 -7.342 -6.383 9.258 1.00 0.00 H new ATOM 0 HA TRP A 65 -5.207 -8.064 8.078 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -7.221 -8.693 10.270 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -6.271 -9.915 9.447 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -5.643 -6.718 11.599 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -3.470 -7.046 12.962 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -4.247 -11.254 9.702 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -1.457 -9.001 13.167 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -2.176 -12.294 10.534 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -0.801 -11.181 12.245 1.00 0.00 H new ATOM 948 N ASP A 66 -8.275 -7.638 7.310 1.00 0.00 N ATOM 949 CA ASP A 66 -9.327 -7.959 6.353 1.00 0.00 C ATOM 950 C ASP A 66 -9.920 -6.689 5.751 1.00 0.00 C ATOM 951 O ASP A 66 -9.519 -5.579 6.099 1.00 0.00 O ATOM 952 CB ASP A 66 -10.426 -8.781 7.028 1.00 0.00 C ATOM 953 CG ASP A 66 -10.676 -8.349 8.459 1.00 0.00 C ATOM 954 OD1 ASP A 66 -10.781 -7.128 8.700 1.00 0.00 O ATOM 955 OD2 ASP A 66 -10.766 -9.231 9.339 1.00 0.00 O ATOM 0 H ASP A 66 -8.418 -6.764 7.816 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.886 -8.548 5.549 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -11.349 -8.686 6.456 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.148 -9.835 7.013 1.00 0.00 H new ATOM 960 N ASP A 67 -10.878 -6.861 4.846 1.00 0.00 N ATOM 961 CA ASP A 67 -11.527 -5.729 4.196 1.00 0.00 C ATOM 962 C ASP A 67 -12.191 -4.819 5.224 1.00 0.00 C ATOM 963 O ASP A 67 -12.059 -3.597 5.162 1.00 0.00 O ATOM 964 CB ASP A 67 -12.565 -6.221 3.186 1.00 0.00 C ATOM 965 CG ASP A 67 -13.760 -6.872 3.854 1.00 0.00 C ATOM 966 OD1 ASP A 67 -13.655 -8.057 4.234 1.00 0.00 O ATOM 967 OD2 ASP A 67 -14.800 -6.196 3.998 1.00 0.00 O ATOM 0 H ASP A 67 -11.222 -7.773 4.546 1.00 0.00 H new ATOM 0 HA ASP A 67 -10.763 -5.156 3.671 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -12.904 -5.381 2.580 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -12.098 -6.935 2.508 1.00 0.00 H new ATOM 972 N GLU A 68 -12.906 -5.424 6.168 1.00 0.00 N ATOM 973 CA GLU A 68 -13.592 -4.666 7.208 1.00 0.00 C ATOM 974 C GLU A 68 -12.608 -3.803 7.992 1.00 0.00 C ATOM 975 O GLU A 68 -12.855 -2.622 8.229 1.00 0.00 O ATOM 976 CB GLU A 68 -14.327 -5.614 8.159 1.00 0.00 C ATOM 977 CG GLU A 68 -13.449 -6.726 8.709 1.00 0.00 C ATOM 978 CD GLU A 68 -14.241 -7.772 9.469 1.00 0.00 C ATOM 979 OE1 GLU A 68 -14.910 -7.405 10.458 1.00 0.00 O ATOM 980 OE2 GLU A 68 -14.190 -8.956 9.077 1.00 0.00 O ATOM 0 H GLU A 68 -13.025 -6.435 6.234 1.00 0.00 H new ATOM 0 HA GLU A 68 -14.318 -4.011 6.726 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -14.733 -5.038 8.991 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -15.174 -6.057 7.635 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.917 -7.205 7.887 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -12.695 -6.296 9.369 1.00 0.00 H new ATOM 987 N GLU A 69 -11.491 -4.404 8.392 1.00 0.00 N ATOM 988 CA GLU A 69 -10.470 -3.691 9.150 1.00 0.00 C ATOM 989 C GLU A 69 -9.829 -2.596 8.303 1.00 0.00 C ATOM 990 O GLU A 69 -9.515 -1.514 8.800 1.00 0.00 O ATOM 991 CB GLU A 69 -9.396 -4.664 9.643 1.00 0.00 C ATOM 992 CG GLU A 69 -9.772 -5.386 10.926 1.00 0.00 C ATOM 993 CD GLU A 69 -8.578 -6.032 11.603 1.00 0.00 C ATOM 994 OE1 GLU A 69 -7.770 -5.298 12.208 1.00 0.00 O ATOM 995 OE2 GLU A 69 -8.454 -7.272 11.526 1.00 0.00 O ATOM 0 H GLU A 69 -11.271 -5.382 8.204 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.951 -3.226 10.010 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.201 -5.402 8.865 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.467 -4.116 9.803 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.236 -4.679 11.614 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.517 -6.150 10.704 1.00 0.00 H new ATOM 1002 N THR A 70 -9.636 -2.884 7.020 1.00 0.00 N ATOM 1003 CA THR A 70 -9.032 -1.926 6.103 1.00 0.00 C ATOM 1004 C THR A 70 -9.851 -0.643 6.029 1.00 0.00 C ATOM 1005 O THR A 70 -9.314 0.456 6.168 1.00 0.00 O ATOM 1006 CB THR A 70 -8.892 -2.515 4.686 1.00 0.00 C ATOM 1007 OG1 THR A 70 -8.005 -3.639 4.708 1.00 0.00 O ATOM 1008 CG2 THR A 70 -8.369 -1.468 3.714 1.00 0.00 C ATOM 0 H THR A 70 -9.890 -3.774 6.592 1.00 0.00 H new ATOM 0 HA THR A 70 -8.040 -1.698 6.493 1.00 0.00 H new ATOM 0 HB THR A 70 -9.878 -2.838 4.351 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.428 -4.380 5.191 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.278 -1.907 2.720 1.00 0.00 H new ATOM 0 HG22 THR A 70 -9.062 -0.627 3.677 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.392 -1.119 4.047 1.00 0.00 H new ATOM 1016 N ARG A 71 -11.154 -0.790 5.811 1.00 0.00 N ATOM 1017 CA ARG A 71 -12.047 0.358 5.719 1.00 0.00 C ATOM 1018 C ARG A 71 -12.065 1.140 7.029 1.00 0.00 C ATOM 1019 O ARG A 71 -11.971 2.367 7.032 1.00 0.00 O ATOM 1020 CB ARG A 71 -13.464 -0.098 5.365 1.00 0.00 C ATOM 1021 CG ARG A 71 -13.541 -0.905 4.079 1.00 0.00 C ATOM 1022 CD ARG A 71 -14.916 -1.527 3.893 1.00 0.00 C ATOM 1023 NE ARG A 71 -15.535 -1.878 5.169 1.00 0.00 N ATOM 1024 CZ ARG A 71 -16.226 -1.020 5.911 1.00 0.00 C ATOM 1025 NH1 ARG A 71 -16.386 0.233 5.507 1.00 0.00 N ATOM 1026 NH2 ARG A 71 -16.760 -1.414 7.060 1.00 0.00 N ATOM 0 H ARG A 71 -11.614 -1.693 5.695 1.00 0.00 H new ATOM 0 HA ARG A 71 -11.676 1.013 4.931 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -13.859 -0.698 6.185 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -14.106 0.778 5.273 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -13.314 -0.261 3.230 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -12.785 -1.690 4.095 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -15.560 -0.830 3.357 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -14.829 -2.420 3.274 1.00 0.00 H new ATOM 0 HE ARG A 71 -15.431 -2.834 5.509 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -15.978 0.540 4.624 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -16.917 0.889 6.079 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -16.640 -2.377 7.375 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -17.290 -0.754 7.629 1.00 0.00 H new ATOM 1040 N ASP A 72 -12.187 0.421 8.139 1.00 0.00 N ATOM 1041 CA ASP A 72 -12.217 1.046 9.456 1.00 0.00 C ATOM 1042 C ASP A 72 -10.966 1.889 9.686 1.00 0.00 C ATOM 1043 O ASP A 72 -11.054 3.077 9.995 1.00 0.00 O ATOM 1044 CB ASP A 72 -12.337 -0.018 10.547 1.00 0.00 C ATOM 1045 CG ASP A 72 -13.779 -0.374 10.853 1.00 0.00 C ATOM 1046 OD1 ASP A 72 -14.622 0.546 10.891 1.00 0.00 O ATOM 1047 OD2 ASP A 72 -14.064 -1.573 11.053 1.00 0.00 O ATOM 0 H ASP A 72 -12.267 -0.596 8.153 1.00 0.00 H new ATOM 0 HA ASP A 72 -13.088 1.700 9.500 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -11.803 -0.915 10.235 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -11.854 0.341 11.456 1.00 0.00 H new ATOM 1052 N GLY A 73 -9.802 1.265 9.533 1.00 0.00 N ATOM 1053 CA GLY A 73 -8.550 1.973 9.729 1.00 0.00 C ATOM 1054 C GLY A 73 -8.358 3.099 8.732 1.00 0.00 C ATOM 1055 O GLY A 73 -7.701 4.096 9.030 1.00 0.00 O ATOM 0 H GLY A 73 -9.704 0.283 9.277 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -8.520 2.378 10.740 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -7.721 1.270 9.643 1.00 0.00 H new ATOM 1059 N PHE A 74 -8.933 2.940 7.545 1.00 0.00 N ATOM 1060 CA PHE A 74 -8.819 3.950 6.499 1.00 0.00 C ATOM 1061 C PHE A 74 -9.582 5.216 6.881 1.00 0.00 C ATOM 1062 O PHE A 74 -9.118 6.330 6.638 1.00 0.00 O ATOM 1063 CB PHE A 74 -9.349 3.403 5.172 1.00 0.00 C ATOM 1064 CG PHE A 74 -9.350 4.416 4.064 1.00 0.00 C ATOM 1065 CD1 PHE A 74 -10.438 5.254 3.874 1.00 0.00 C ATOM 1066 CD2 PHE A 74 -8.264 4.532 3.211 1.00 0.00 C ATOM 1067 CE1 PHE A 74 -10.442 6.188 2.855 1.00 0.00 C ATOM 1068 CE2 PHE A 74 -8.262 5.464 2.191 1.00 0.00 C ATOM 1069 CZ PHE A 74 -9.353 6.292 2.012 1.00 0.00 C ATOM 0 H PHE A 74 -9.483 2.122 7.283 1.00 0.00 H new ATOM 0 HA PHE A 74 -7.765 4.202 6.385 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -8.742 2.549 4.872 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -10.365 3.036 5.319 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -11.292 5.176 4.530 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.409 3.886 3.345 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -11.295 6.835 2.718 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -7.408 5.545 1.534 1.00 0.00 H new ATOM 0 HZ PHE A 74 -9.354 7.020 1.214 1.00 0.00 H new ATOM 1079 N ARG A 75 -10.754 5.035 7.480 1.00 0.00 N ATOM 1080 CA ARG A 75 -11.582 6.161 7.895 1.00 0.00 C ATOM 1081 C ARG A 75 -10.929 6.922 9.044 1.00 0.00 C ATOM 1082 O ARG A 75 -10.947 8.154 9.077 1.00 0.00 O ATOM 1083 CB ARG A 75 -12.970 5.673 8.316 1.00 0.00 C ATOM 1084 CG ARG A 75 -13.766 5.049 7.181 1.00 0.00 C ATOM 1085 CD ARG A 75 -15.203 4.774 7.595 1.00 0.00 C ATOM 1086 NE ARG A 75 -15.991 6.000 7.687 1.00 0.00 N ATOM 1087 CZ ARG A 75 -17.317 6.030 7.600 1.00 0.00 C ATOM 1088 NH1 ARG A 75 -17.998 4.907 7.421 1.00 0.00 N ATOM 1089 NH2 ARG A 75 -17.962 7.186 7.694 1.00 0.00 N ATOM 0 H ARG A 75 -11.152 4.119 7.689 1.00 0.00 H new ATOM 0 HA ARG A 75 -11.684 6.837 7.046 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -12.861 4.942 9.117 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -13.533 6.512 8.725 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -13.756 5.715 6.318 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -13.291 4.118 6.871 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -15.665 4.100 6.874 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -15.211 4.265 8.559 1.00 0.00 H new ATOM 0 HE ARG A 75 -15.497 6.881 7.826 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -17.505 4.017 7.350 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -19.016 4.933 7.355 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -17.440 8.051 7.833 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -18.980 7.209 7.627 1.00 0.00 H new ATOM 1103 N LEU A 76 -10.353 6.183 9.985 1.00 0.00 N ATOM 1104 CA LEU A 76 -9.693 6.788 11.137 1.00 0.00 C ATOM 1105 C LEU A 76 -8.368 7.426 10.733 1.00 0.00 C ATOM 1106 O LEU A 76 -8.189 8.638 10.853 1.00 0.00 O ATOM 1107 CB LEU A 76 -9.456 5.738 12.224 1.00 0.00 C ATOM 1108 CG LEU A 76 -10.673 4.905 12.628 1.00 0.00 C ATOM 1109 CD1 LEU A 76 -10.255 3.750 13.526 1.00 0.00 C ATOM 1110 CD2 LEU A 76 -11.709 5.776 13.324 1.00 0.00 C ATOM 0 H LEU A 76 -10.329 5.163 9.973 1.00 0.00 H new ATOM 0 HA LEU A 76 -10.346 7.568 11.530 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -8.674 5.060 11.882 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -9.075 6.243 13.112 1.00 0.00 H new ATOM 0 HG LEU A 76 -11.123 4.492 11.725 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -11.134 3.168 13.803 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -9.551 3.111 12.993 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -9.780 4.142 14.426 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -12.568 5.166 13.604 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -11.271 6.218 14.219 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -12.031 6.568 12.648 1.00 0.00 H new ATOM 1122 N SER A 77 -7.443 6.602 10.251 1.00 0.00 N ATOM 1123 CA SER A 77 -6.133 7.085 9.830 1.00 0.00 C ATOM 1124 C SER A 77 -6.270 8.301 8.918 1.00 0.00 C ATOM 1125 O SER A 77 -5.439 9.208 8.946 1.00 0.00 O ATOM 1126 CB SER A 77 -5.365 5.977 9.109 1.00 0.00 C ATOM 1127 OG SER A 77 -4.066 6.411 8.744 1.00 0.00 O ATOM 0 H SER A 77 -7.577 5.597 10.142 1.00 0.00 H new ATOM 0 HA SER A 77 -5.579 7.381 10.721 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.291 5.102 9.755 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.913 5.671 8.218 1.00 0.00 H new ATOM 0 HG SER A 77 -3.541 5.645 8.432 1.00 0.00 H new ATOM 1133 N SER A 78 -7.326 8.311 8.111 1.00 0.00 N ATOM 1134 CA SER A 78 -7.571 9.413 7.187 1.00 0.00 C ATOM 1135 C SER A 78 -7.865 10.703 7.946 1.00 0.00 C ATOM 1136 O SER A 78 -7.199 11.718 7.746 1.00 0.00 O ATOM 1137 CB SER A 78 -8.739 9.077 6.258 1.00 0.00 C ATOM 1138 OG SER A 78 -8.304 8.313 5.147 1.00 0.00 O ATOM 0 H SER A 78 -8.025 7.569 8.078 1.00 0.00 H new ATOM 0 HA SER A 78 -6.671 9.561 6.589 1.00 0.00 H new ATOM 0 HB2 SER A 78 -9.498 8.523 6.809 1.00 0.00 H new ATOM 0 HB3 SER A 78 -9.207 9.998 5.909 1.00 0.00 H new ATOM 0 HG SER A 78 -8.569 7.378 5.269 1.00 0.00 H new ATOM 1144 N GLN A 79 -8.868 10.654 8.817 1.00 0.00 N ATOM 1145 CA GLN A 79 -9.251 11.819 9.606 1.00 0.00 C ATOM 1146 C GLN A 79 -8.044 12.407 10.331 1.00 0.00 C ATOM 1147 O GLN A 79 -7.901 13.625 10.430 1.00 0.00 O ATOM 1148 CB GLN A 79 -10.335 11.442 10.618 1.00 0.00 C ATOM 1149 CG GLN A 79 -11.582 10.850 9.981 1.00 0.00 C ATOM 1150 CD GLN A 79 -12.302 9.882 10.899 1.00 0.00 C ATOM 1151 OE1 GLN A 79 -12.117 9.908 12.116 1.00 0.00 O ATOM 1152 NE2 GLN A 79 -13.130 9.021 10.319 1.00 0.00 N ATOM 0 H GLN A 79 -9.429 9.821 8.994 1.00 0.00 H new ATOM 0 HA GLN A 79 -9.646 12.573 8.925 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -9.924 10.724 11.328 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -10.614 12.329 11.187 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -12.262 11.656 9.704 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -11.306 10.335 9.061 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -13.253 9.035 9.307 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -13.643 8.346 10.886 1.00 0.00 H new ATOM 1161 N GLU A 80 -7.180 11.532 10.836 1.00 0.00 N ATOM 1162 CA GLU A 80 -5.986 11.966 11.553 1.00 0.00 C ATOM 1163 C GLU A 80 -5.109 12.846 10.667 1.00 0.00 C ATOM 1164 O GLU A 80 -4.931 14.033 10.936 1.00 0.00 O ATOM 1165 CB GLU A 80 -5.187 10.755 12.038 1.00 0.00 C ATOM 1166 CG GLU A 80 -5.752 10.117 13.296 1.00 0.00 C ATOM 1167 CD GLU A 80 -7.010 9.314 13.028 1.00 0.00 C ATOM 1168 OE1 GLU A 80 -8.107 9.912 13.022 1.00 0.00 O ATOM 1169 OE2 GLU A 80 -6.898 8.087 12.825 1.00 0.00 O ATOM 0 H GLU A 80 -7.284 10.520 10.762 1.00 0.00 H new ATOM 0 HA GLU A 80 -6.304 12.551 12.416 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -5.157 10.009 11.244 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.158 11.061 12.227 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -4.998 9.467 13.739 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -5.971 10.895 14.027 1.00 0.00 H new ATOM 1176 N ALA A 81 -4.565 12.254 9.609 1.00 0.00 N ATOM 1177 CA ALA A 81 -3.708 12.983 8.683 1.00 0.00 C ATOM 1178 C ALA A 81 -4.357 14.293 8.249 1.00 0.00 C ATOM 1179 O ALA A 81 -3.680 15.306 8.078 1.00 0.00 O ATOM 1180 CB ALA A 81 -3.390 12.122 7.469 1.00 0.00 C ATOM 0 H ALA A 81 -4.703 11.272 9.372 1.00 0.00 H new ATOM 0 HA ALA A 81 -2.778 13.222 9.199 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.749 12.679 6.786 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.877 11.216 7.790 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -4.316 11.854 6.961 1.00 0.00 H new ATOM 1186 N ALA A 82 -5.674 14.265 8.072 1.00 0.00 N ATOM 1187 CA ALA A 82 -6.415 15.450 7.659 1.00 0.00 C ATOM 1188 C ALA A 82 -6.109 16.634 8.570 1.00 0.00 C ATOM 1189 O ALA A 82 -6.115 17.784 8.132 1.00 0.00 O ATOM 1190 CB ALA A 82 -7.909 15.162 7.649 1.00 0.00 C ATOM 0 H ALA A 82 -6.250 13.434 8.208 1.00 0.00 H new ATOM 0 HA ALA A 82 -6.100 15.711 6.649 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -8.450 16.056 7.339 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -8.119 14.351 6.952 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -8.230 14.873 8.649 1.00 0.00 H new ATOM 1196 N SER A 83 -5.842 16.344 9.839 1.00 0.00 N ATOM 1197 CA SER A 83 -5.538 17.385 10.814 1.00 0.00 C ATOM 1198 C SER A 83 -4.039 17.445 11.095 1.00 0.00 C ATOM 1199 O SER A 83 -3.410 18.493 10.947 1.00 0.00 O ATOM 1200 CB SER A 83 -6.303 17.135 12.115 1.00 0.00 C ATOM 1201 OG SER A 83 -6.196 18.244 12.990 1.00 0.00 O ATOM 0 H SER A 83 -5.830 15.396 10.216 1.00 0.00 H new ATOM 0 HA SER A 83 -5.850 18.342 10.396 1.00 0.00 H new ATOM 0 HB2 SER A 83 -7.353 16.943 11.892 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.913 16.243 12.604 1.00 0.00 H new ATOM 0 HG SER A 83 -6.695 18.060 13.813 1.00 0.00 H new ATOM 1207 N SER A 84 -3.474 16.313 11.501 1.00 0.00 N ATOM 1208 CA SER A 84 -2.050 16.236 11.807 1.00 0.00 C ATOM 1209 C SER A 84 -1.242 17.115 10.859 1.00 0.00 C ATOM 1210 O SER A 84 -0.504 18.001 11.291 1.00 0.00 O ATOM 1211 CB SER A 84 -1.565 14.788 11.716 1.00 0.00 C ATOM 1212 OG SER A 84 -2.315 13.943 12.572 1.00 0.00 O ATOM 0 H SER A 84 -3.980 15.436 11.626 1.00 0.00 H new ATOM 0 HA SER A 84 -1.902 16.598 12.824 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.650 14.437 10.688 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.510 14.737 11.984 1.00 0.00 H new ATOM 0 HG SER A 84 -3.176 13.735 12.153 1.00 0.00 H new ATOM 1218 N PHE A 85 -1.388 16.865 9.561 1.00 0.00 N ATOM 1219 CA PHE A 85 -0.672 17.633 8.550 1.00 0.00 C ATOM 1220 C PHE A 85 -1.624 18.548 7.785 1.00 0.00 C ATOM 1221 O PHE A 85 -1.357 19.736 7.612 1.00 0.00 O ATOM 1222 CB PHE A 85 0.042 16.693 7.576 1.00 0.00 C ATOM 1223 CG PHE A 85 1.162 15.916 8.206 1.00 0.00 C ATOM 1224 CD1 PHE A 85 2.423 16.475 8.337 1.00 0.00 C ATOM 1225 CD2 PHE A 85 0.955 14.625 8.666 1.00 0.00 C ATOM 1226 CE1 PHE A 85 3.456 15.762 8.916 1.00 0.00 C ATOM 1227 CE2 PHE A 85 1.984 13.908 9.246 1.00 0.00 C ATOM 1228 CZ PHE A 85 3.236 14.477 9.371 1.00 0.00 C ATOM 0 H PHE A 85 -1.996 16.137 9.186 1.00 0.00 H new ATOM 0 HA PHE A 85 0.069 18.251 9.057 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -0.684 15.995 7.159 1.00 0.00 H new ATOM 0 HB3 PHE A 85 0.438 17.276 6.745 1.00 0.00 H new ATOM 0 HD1 PHE A 85 2.601 17.480 7.983 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -0.022 14.174 8.570 1.00 0.00 H new ATOM 0 HE1 PHE A 85 4.434 16.210 9.012 1.00 0.00 H new ATOM 0 HE2 PHE A 85 1.809 12.903 9.601 1.00 0.00 H new ATOM 0 HZ PHE A 85 4.042 13.918 9.824 1.00 0.00 H new ATOM 1238 N GLY A 86 -2.738 17.983 7.329 1.00 0.00 N ATOM 1239 CA GLY A 86 -3.714 18.761 6.588 1.00 0.00 C ATOM 1240 C GLY A 86 -4.426 17.941 5.530 1.00 0.00 C ATOM 1241 O GLY A 86 -5.582 18.211 5.200 1.00 0.00 O ATOM 0 H GLY A 86 -2.982 17.001 7.459 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -4.449 19.171 7.281 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -3.216 19.607 6.114 1.00 0.00 H new ATOM 1245 N ASP A 87 -3.737 16.939 4.997 1.00 0.00 N ATOM 1246 CA ASP A 87 -4.311 16.078 3.969 1.00 0.00 C ATOM 1247 C ASP A 87 -4.748 14.742 4.563 1.00 0.00 C ATOM 1248 O ASP A 87 -4.406 14.414 5.699 1.00 0.00 O ATOM 1249 CB ASP A 87 -3.299 15.844 2.846 1.00 0.00 C ATOM 1250 CG ASP A 87 -3.305 16.961 1.820 1.00 0.00 C ATOM 1251 OD1 ASP A 87 -4.200 16.961 0.950 1.00 0.00 O ATOM 1252 OD2 ASP A 87 -2.415 17.834 1.888 1.00 0.00 O ATOM 0 H ASP A 87 -2.780 16.702 5.259 1.00 0.00 H new ATOM 0 HA ASP A 87 -5.188 16.578 3.558 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -2.301 15.753 3.274 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -3.522 14.899 2.351 1.00 0.00 H new ATOM 1257 N ASP A 88 -5.507 13.976 3.787 1.00 0.00 N ATOM 1258 CA ASP A 88 -5.991 12.676 4.235 1.00 0.00 C ATOM 1259 C ASP A 88 -5.279 11.547 3.497 1.00 0.00 C ATOM 1260 O ASP A 88 -5.742 10.406 3.493 1.00 0.00 O ATOM 1261 CB ASP A 88 -7.502 12.569 4.020 1.00 0.00 C ATOM 1262 CG ASP A 88 -7.859 12.201 2.593 1.00 0.00 C ATOM 1263 OD1 ASP A 88 -7.132 12.627 1.671 1.00 0.00 O ATOM 1264 OD2 ASP A 88 -8.865 11.488 2.399 1.00 0.00 O ATOM 0 H ASP A 88 -5.800 14.233 2.845 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.775 12.583 5.299 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -7.910 11.820 4.698 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -7.971 13.519 4.275 1.00 0.00 H new ATOM 1269 N ARG A 89 -4.152 11.873 2.873 1.00 0.00 N ATOM 1270 CA ARG A 89 -3.377 10.887 2.130 1.00 0.00 C ATOM 1271 C ARG A 89 -2.952 9.734 3.036 1.00 0.00 C ATOM 1272 O ARG A 89 -2.370 9.948 4.099 1.00 0.00 O ATOM 1273 CB ARG A 89 -2.142 11.541 1.507 1.00 0.00 C ATOM 1274 CG ARG A 89 -2.471 12.688 0.565 1.00 0.00 C ATOM 1275 CD ARG A 89 -2.844 12.183 -0.820 1.00 0.00 C ATOM 1276 NE ARG A 89 -2.910 13.265 -1.798 1.00 0.00 N ATOM 1277 CZ ARG A 89 -3.853 14.201 -1.794 1.00 0.00 C ATOM 1278 NH1 ARG A 89 -4.803 14.187 -0.869 1.00 0.00 N ATOM 1279 NH2 ARG A 89 -3.847 15.154 -2.718 1.00 0.00 N ATOM 0 H ARG A 89 -3.755 12.813 2.867 1.00 0.00 H new ATOM 0 HA ARG A 89 -4.009 10.489 1.336 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.496 11.910 2.303 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -1.577 10.785 0.962 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -3.295 13.272 0.975 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -1.613 13.357 0.491 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -2.112 11.444 -1.146 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -3.808 11.677 -0.774 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.194 13.304 -2.523 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -4.811 13.456 -0.158 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -5.525 14.907 -0.869 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -3.118 15.168 -3.432 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -4.571 15.872 -2.715 1.00 0.00 H new ATOM 1293 N LEU A 90 -3.249 8.512 2.607 1.00 0.00 N ATOM 1294 CA LEU A 90 -2.898 7.325 3.379 1.00 0.00 C ATOM 1295 C LEU A 90 -1.949 6.426 2.594 1.00 0.00 C ATOM 1296 O LEU A 90 -1.653 6.686 1.427 1.00 0.00 O ATOM 1297 CB LEU A 90 -4.161 6.547 3.756 1.00 0.00 C ATOM 1298 CG LEU A 90 -5.027 7.166 4.854 1.00 0.00 C ATOM 1299 CD1 LEU A 90 -6.119 6.197 5.281 1.00 0.00 C ATOM 1300 CD2 LEU A 90 -4.172 7.568 6.046 1.00 0.00 C ATOM 0 H LEU A 90 -3.732 8.317 1.730 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.392 7.649 4.289 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.772 6.430 2.861 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.866 5.547 4.074 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.500 8.063 4.454 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.726 6.654 6.063 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -6.750 5.959 4.425 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -5.665 5.282 5.662 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.806 8.006 6.817 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.669 6.688 6.447 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.427 8.298 5.730 1.00 0.00 H new ATOM 1312 N LEU A 91 -1.476 5.366 3.241 1.00 0.00 N ATOM 1313 CA LEU A 91 -0.561 4.426 2.603 1.00 0.00 C ATOM 1314 C LEU A 91 -0.893 2.990 2.998 1.00 0.00 C ATOM 1315 O LEU A 91 -1.631 2.754 3.955 1.00 0.00 O ATOM 1316 CB LEU A 91 0.884 4.751 2.985 1.00 0.00 C ATOM 1317 CG LEU A 91 1.541 5.895 2.212 1.00 0.00 C ATOM 1318 CD1 LEU A 91 2.982 6.085 2.662 1.00 0.00 C ATOM 1319 CD2 LEU A 91 1.478 5.632 0.715 1.00 0.00 C ATOM 0 H LEU A 91 -1.711 5.136 4.207 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.675 4.522 1.523 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.912 4.994 4.047 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.486 3.853 2.847 1.00 0.00 H new ATOM 0 HG LEU A 91 0.992 6.813 2.423 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.433 6.903 2.101 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.003 6.320 3.726 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.543 5.168 2.482 1.00 0.00 H new ATOM 0 HD21 LEU A 91 1.950 6.456 0.181 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.002 4.704 0.486 1.00 0.00 H new ATOM 0 HD23 LEU A 91 0.437 5.547 0.404 1.00 0.00 H new ATOM 1331 N ILE A 92 -0.341 2.036 2.257 1.00 0.00 N ATOM 1332 CA ILE A 92 -0.575 0.624 2.532 1.00 0.00 C ATOM 1333 C ILE A 92 0.647 -0.216 2.179 1.00 0.00 C ATOM 1334 O ILE A 92 1.162 -0.141 1.064 1.00 0.00 O ATOM 1335 CB ILE A 92 -1.792 0.093 1.752 1.00 0.00 C ATOM 1336 CG1 ILE A 92 -3.027 0.946 2.047 1.00 0.00 C ATOM 1337 CG2 ILE A 92 -2.052 -1.365 2.104 1.00 0.00 C ATOM 1338 CD1 ILE A 92 -4.280 0.455 1.356 1.00 0.00 C ATOM 0 H ILE A 92 0.272 2.215 1.461 1.00 0.00 H new ATOM 0 HA ILE A 92 -0.773 0.540 3.601 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.577 0.156 0.685 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.198 0.963 3.123 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -2.831 1.973 1.739 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -2.915 -1.726 1.545 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -1.177 -1.963 1.847 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -2.250 -1.452 3.172 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -5.115 1.107 1.611 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -4.128 0.465 0.277 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -4.501 -0.561 1.682 1.00 0.00 H new ATOM 1350 N GLU A 93 1.106 -1.017 3.136 1.00 0.00 N ATOM 1351 CA GLU A 93 2.268 -1.872 2.924 1.00 0.00 C ATOM 1352 C GLU A 93 2.037 -3.259 3.516 1.00 0.00 C ATOM 1353 O GLU A 93 1.211 -3.436 4.411 1.00 0.00 O ATOM 1354 CB GLU A 93 3.514 -1.240 3.548 1.00 0.00 C ATOM 1355 CG GLU A 93 3.959 0.039 2.858 1.00 0.00 C ATOM 1356 CD GLU A 93 5.437 0.318 3.044 1.00 0.00 C ATOM 1357 OE1 GLU A 93 6.246 -0.614 2.851 1.00 0.00 O ATOM 1358 OE2 GLU A 93 5.786 1.468 3.383 1.00 0.00 O ATOM 0 H GLU A 93 0.691 -1.091 4.065 1.00 0.00 H new ATOM 0 HA GLU A 93 2.421 -1.975 1.850 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.315 -1.026 4.598 1.00 0.00 H new ATOM 0 HB3 GLU A 93 4.330 -1.962 3.519 1.00 0.00 H new ATOM 0 HG2 GLU A 93 3.738 -0.031 1.793 1.00 0.00 H new ATOM 0 HG3 GLU A 93 3.383 0.878 3.249 1.00 0.00 H new ATOM 1365 N LYS A 94 2.774 -4.242 3.008 1.00 0.00 N ATOM 1366 CA LYS A 94 2.652 -5.615 3.485 1.00 0.00 C ATOM 1367 C LYS A 94 3.182 -5.745 4.909 1.00 0.00 C ATOM 1368 O LYS A 94 4.292 -5.305 5.211 1.00 0.00 O ATOM 1369 CB LYS A 94 3.410 -6.567 2.557 1.00 0.00 C ATOM 1370 CG LYS A 94 3.591 -7.961 3.134 1.00 0.00 C ATOM 1371 CD LYS A 94 2.314 -8.778 3.031 1.00 0.00 C ATOM 1372 CE LYS A 94 2.612 -10.264 2.906 1.00 0.00 C ATOM 1373 NZ LYS A 94 3.351 -10.579 1.653 1.00 0.00 N ATOM 0 H LYS A 94 3.462 -4.113 2.266 1.00 0.00 H new ATOM 0 HA LYS A 94 1.595 -5.882 3.485 1.00 0.00 H new ATOM 0 HB2 LYS A 94 2.875 -6.641 1.610 1.00 0.00 H new ATOM 0 HB3 LYS A 94 4.390 -6.143 2.337 1.00 0.00 H new ATOM 0 HG2 LYS A 94 4.395 -8.473 2.605 1.00 0.00 H new ATOM 0 HG3 LYS A 94 3.893 -7.887 4.179 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.696 -8.602 3.912 1.00 0.00 H new ATOM 0 HD3 LYS A 94 1.738 -8.447 2.167 1.00 0.00 H new ATOM 0 HE2 LYS A 94 3.199 -10.590 3.765 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.677 -10.825 2.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 3.147 -11.558 1.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 3.051 -9.928 0.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 4.373 -10.472 1.816 1.00 0.00 H new ATOM 1387 N PHE A 95 2.384 -6.353 5.780 1.00 0.00 N ATOM 1388 CA PHE A 95 2.773 -6.542 7.172 1.00 0.00 C ATOM 1389 C PHE A 95 3.211 -7.982 7.424 1.00 0.00 C ATOM 1390 O PHE A 95 2.454 -8.923 7.184 1.00 0.00 O ATOM 1391 CB PHE A 95 1.614 -6.180 8.102 1.00 0.00 C ATOM 1392 CG PHE A 95 1.916 -6.410 9.555 1.00 0.00 C ATOM 1393 CD1 PHE A 95 2.080 -7.694 10.048 1.00 0.00 C ATOM 1394 CD2 PHE A 95 2.038 -5.341 10.428 1.00 0.00 C ATOM 1395 CE1 PHE A 95 2.358 -7.908 11.385 1.00 0.00 C ATOM 1396 CE2 PHE A 95 2.316 -5.548 11.766 1.00 0.00 C ATOM 1397 CZ PHE A 95 2.477 -6.834 12.245 1.00 0.00 C ATOM 0 H PHE A 95 1.463 -6.724 5.546 1.00 0.00 H new ATOM 0 HA PHE A 95 3.616 -5.883 7.380 1.00 0.00 H new ATOM 0 HB2 PHE A 95 1.355 -5.132 7.955 1.00 0.00 H new ATOM 0 HB3 PHE A 95 0.739 -6.767 7.824 1.00 0.00 H new ATOM 0 HD1 PHE A 95 1.990 -8.538 9.380 1.00 0.00 H new ATOM 0 HD2 PHE A 95 1.914 -4.334 10.058 1.00 0.00 H new ATOM 0 HE1 PHE A 95 2.482 -8.914 11.757 1.00 0.00 H new ATOM 0 HE2 PHE A 95 2.407 -4.706 12.436 1.00 0.00 H new ATOM 0 HZ PHE A 95 2.695 -6.999 13.290 1.00 0.00 H new ATOM 1407 N ILE A 96 4.438 -8.145 7.907 1.00 0.00 N ATOM 1408 CA ILE A 96 4.977 -9.469 8.192 1.00 0.00 C ATOM 1409 C ILE A 96 5.764 -9.473 9.498 1.00 0.00 C ATOM 1410 O ILE A 96 6.734 -8.731 9.653 1.00 0.00 O ATOM 1411 CB ILE A 96 5.891 -9.961 7.054 1.00 0.00 C ATOM 1412 CG1 ILE A 96 5.312 -9.560 5.696 1.00 0.00 C ATOM 1413 CG2 ILE A 96 6.071 -11.470 7.135 1.00 0.00 C ATOM 1414 CD1 ILE A 96 6.233 -9.859 4.534 1.00 0.00 C ATOM 0 H ILE A 96 5.078 -7.377 8.109 1.00 0.00 H new ATOM 0 HA ILE A 96 4.126 -10.144 8.282 1.00 0.00 H new ATOM 0 HB ILE A 96 6.869 -9.491 7.164 1.00 0.00 H new ATOM 0 HG12 ILE A 96 4.368 -10.083 5.544 1.00 0.00 H new ATOM 0 HG13 ILE A 96 5.088 -8.493 5.706 1.00 0.00 H new ATOM 0 HG21 ILE A 96 6.719 -11.803 6.324 1.00 0.00 H new ATOM 0 HG22 ILE A 96 6.523 -11.732 8.092 1.00 0.00 H new ATOM 0 HG23 ILE A 96 5.100 -11.957 7.047 1.00 0.00 H new ATOM 0 HD11 ILE A 96 5.757 -9.549 3.604 1.00 0.00 H new ATOM 0 HD12 ILE A 96 7.169 -9.315 4.662 1.00 0.00 H new ATOM 0 HD13 ILE A 96 6.437 -10.929 4.498 1.00 0.00 H new