USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 612 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 66 THR OG1 : rot 144:sc= 0.431 USER MOD Set 1.2: A 67 HIS :FLIP no HD1:sc= -0.508 F(o=-4.7,f=-3.6) USER MOD Set 1.3: A 102 HIS : no HE2:sc= -3.49! K(o=-3.6!,f=-5.7) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= -1.69! USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl -110:sc= -1.09 (180deg=-2.8!) USER MOD Single : A 81 SER OG : rot 160:sc= 0.0687 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 86 HIS : no HD1:sc= -0.209 X(o=-0.21,f=-0.00056) USER MOD Single : A 90 HIS :FLIP no HD1:sc= -1.82 F(o=-2.7!,f=-1.8) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN :FLIP amide:sc= -0.568 F(o=-2.5,f=-0.57) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot -144:sc= -1.15 USER MOD Single : A 113 GLN : amide:sc= -0.012 X(o=-0.012,f=-0.18) USER MOD Single : A 117 ASN : amide:sc= -1.04 K(o=-1,f=-9.5!) USER MOD Single : A 119 GLN : amide:sc= -0.0699 K(o=-0.07,f=-1.2!) USER MOD ----------------------------------------------------------------- ATOM 301 N VAL A 32 -3.100 6.613 -6.182 1.00 0.00 N ATOM 302 CA VAL A 32 -1.709 6.250 -5.972 1.00 0.00 C ATOM 303 C VAL A 32 -1.641 4.919 -5.219 1.00 0.00 C ATOM 304 O VAL A 32 -1.103 3.939 -5.731 1.00 0.00 O ATOM 305 CB VAL A 32 -0.975 7.382 -5.251 1.00 0.00 C ATOM 306 CG1 VAL A 32 0.477 6.998 -4.961 1.00 0.00 C ATOM 307 CG2 VAL A 32 -1.048 8.682 -6.055 1.00 0.00 C ATOM 0 HA VAL A 32 -1.203 6.110 -6.927 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.474 7.549 -4.296 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.975 7.821 -4.448 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.499 6.110 -4.329 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.992 6.790 -5.899 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.519 9.471 -5.520 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.587 8.532 -7.031 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.091 8.970 -6.187 1.00 0.00 H new ATOM 317 N GLU A 33 -2.195 4.929 -4.016 1.00 0.00 N ATOM 318 CA GLU A 33 -2.205 3.735 -3.187 1.00 0.00 C ATOM 319 C GLU A 33 -2.698 2.533 -3.995 1.00 0.00 C ATOM 320 O GLU A 33 -1.980 1.545 -4.146 1.00 0.00 O ATOM 321 CB GLU A 33 -3.060 3.943 -1.936 1.00 0.00 C ATOM 322 CG GLU A 33 -3.121 2.666 -1.095 1.00 0.00 C ATOM 323 CD GLU A 33 -4.412 2.611 -0.275 1.00 0.00 C ATOM 324 OE1 GLU A 33 -4.502 3.394 0.695 1.00 0.00 O ATOM 325 OE2 GLU A 33 -5.279 1.787 -0.637 1.00 0.00 O ATOM 0 H GLU A 33 -2.640 5.744 -3.595 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.185 3.535 -2.860 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.646 4.756 -1.340 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.068 4.241 -2.225 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.062 1.794 -1.746 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.260 2.624 -0.428 1.00 0.00 H new ATOM 332 N ALA A 34 -3.920 2.655 -4.492 1.00 0.00 N ATOM 333 CA ALA A 34 -4.517 1.590 -5.280 1.00 0.00 C ATOM 334 C ALA A 34 -3.454 0.984 -6.198 1.00 0.00 C ATOM 335 O ALA A 34 -3.243 -0.228 -6.193 1.00 0.00 O ATOM 336 CB ALA A 34 -5.714 2.141 -6.058 1.00 0.00 C ATOM 0 H ALA A 34 -4.513 3.475 -4.364 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.887 0.794 -4.633 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.162 1.343 -6.649 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -6.453 2.534 -5.359 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.381 2.940 -6.720 1.00 0.00 H new ATOM 342 N ALA A 35 -2.814 1.854 -6.965 1.00 0.00 N ATOM 343 CA ALA A 35 -1.779 1.419 -7.887 1.00 0.00 C ATOM 344 C ALA A 35 -0.733 0.603 -7.124 1.00 0.00 C ATOM 345 O ALA A 35 -0.452 -0.541 -7.480 1.00 0.00 O ATOM 346 CB ALA A 35 -1.172 2.638 -8.585 1.00 0.00 C ATOM 0 H ALA A 35 -2.992 2.858 -6.967 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.199 0.776 -8.660 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.395 2.312 -9.277 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.950 3.167 -9.136 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.738 3.305 -7.840 1.00 0.00 H new ATOM 352 N ILE A 36 -0.185 1.222 -6.089 1.00 0.00 N ATOM 353 CA ILE A 36 0.823 0.568 -5.273 1.00 0.00 C ATOM 354 C ILE A 36 0.423 -0.892 -5.050 1.00 0.00 C ATOM 355 O ILE A 36 1.227 -1.799 -5.262 1.00 0.00 O ATOM 356 CB ILE A 36 1.053 1.347 -3.977 1.00 0.00 C ATOM 357 CG1 ILE A 36 1.547 2.765 -4.270 1.00 0.00 C ATOM 358 CG2 ILE A 36 2.000 0.592 -3.043 1.00 0.00 C ATOM 359 CD1 ILE A 36 1.901 3.501 -2.977 1.00 0.00 C ATOM 0 H ILE A 36 -0.420 2.170 -5.797 1.00 0.00 H new ATOM 0 HA ILE A 36 1.784 0.562 -5.788 1.00 0.00 H new ATOM 0 HB ILE A 36 0.098 1.439 -3.460 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.422 2.722 -4.919 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.777 3.318 -4.808 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.146 1.168 -2.129 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.570 -0.378 -2.795 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.960 0.447 -3.538 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.249 4.506 -3.214 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.018 3.563 -2.341 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.688 2.959 -2.453 1.00 0.00 H new ATOM 371 N ARG A 37 -0.818 -1.074 -4.625 1.00 0.00 N ATOM 372 CA ARG A 37 -1.334 -2.408 -4.370 1.00 0.00 C ATOM 373 C ARG A 37 -1.576 -3.144 -5.690 1.00 0.00 C ATOM 374 O ARG A 37 -0.924 -4.148 -5.973 1.00 0.00 O ATOM 375 CB ARG A 37 -2.643 -2.351 -3.579 1.00 0.00 C ATOM 376 CG ARG A 37 -2.918 -3.684 -2.879 1.00 0.00 C ATOM 377 CD ARG A 37 -4.414 -4.008 -2.887 1.00 0.00 C ATOM 378 NE ARG A 37 -4.650 -5.322 -2.247 1.00 0.00 N ATOM 379 CZ ARG A 37 -5.864 -5.806 -1.952 1.00 0.00 C ATOM 380 NH1 ARG A 37 -6.959 -5.088 -2.237 1.00 0.00 N ATOM 381 NH2 ARG A 37 -5.983 -7.008 -1.372 1.00 0.00 N ATOM 0 H ARG A 37 -1.482 -0.320 -4.451 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.590 -2.944 -3.781 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.591 -1.552 -2.840 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -3.468 -2.111 -4.250 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.367 -4.481 -3.377 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.557 -3.641 -1.851 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -4.966 -3.232 -2.357 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -4.786 -4.021 -3.911 1.00 0.00 H new ATOM 0 HE ARG A 37 -3.838 -5.894 -2.016 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -6.868 -4.173 -2.679 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -7.883 -5.457 -2.012 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -5.149 -7.554 -1.155 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -6.907 -7.377 -1.147 1.00 0.00 H new ATOM 395 N ALA A 38 -2.515 -2.617 -6.462 1.00 0.00 N ATOM 396 CA ALA A 38 -2.851 -3.211 -7.744 1.00 0.00 C ATOM 397 C ALA A 38 -1.568 -3.671 -8.440 1.00 0.00 C ATOM 398 O ALA A 38 -1.570 -4.673 -9.154 1.00 0.00 O ATOM 399 CB ALA A 38 -3.639 -2.203 -8.583 1.00 0.00 C ATOM 0 H ALA A 38 -3.054 -1.784 -6.224 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.484 -4.087 -7.606 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.891 -2.649 -9.545 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.555 -1.930 -8.058 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.033 -1.311 -8.744 1.00 0.00 H new ATOM 405 N LYS A 39 -0.503 -2.918 -8.207 1.00 0.00 N ATOM 406 CA LYS A 39 0.784 -3.236 -8.802 1.00 0.00 C ATOM 407 C LYS A 39 1.340 -4.505 -8.154 1.00 0.00 C ATOM 408 O LYS A 39 1.390 -5.559 -8.787 1.00 0.00 O ATOM 409 CB LYS A 39 1.727 -2.035 -8.712 1.00 0.00 C ATOM 410 CG LYS A 39 1.419 -1.012 -9.808 1.00 0.00 C ATOM 411 CD LYS A 39 2.274 -1.266 -11.051 1.00 0.00 C ATOM 412 CE LYS A 39 1.739 -0.486 -12.253 1.00 0.00 C ATOM 413 NZ LYS A 39 1.440 -1.403 -13.376 1.00 0.00 N ATOM 0 H LYS A 39 -0.505 -2.088 -7.614 1.00 0.00 H new ATOM 0 HA LYS A 39 0.671 -3.444 -9.866 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.630 -1.565 -7.733 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.760 -2.371 -8.803 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.363 -1.064 -10.072 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.605 -0.005 -9.434 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.305 -0.974 -10.853 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.283 -2.332 -11.279 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.837 0.057 -11.969 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.472 0.256 -12.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.078 -0.857 -14.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.308 -1.902 -13.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.724 -2.095 -13.078 1.00 0.00 H new ATOM 427 N LEU A 40 1.745 -4.363 -6.901 1.00 0.00 N ATOM 428 CA LEU A 40 2.297 -5.485 -6.161 1.00 0.00 C ATOM 429 C LEU A 40 1.341 -6.675 -6.260 1.00 0.00 C ATOM 430 O LEU A 40 1.751 -7.822 -6.085 1.00 0.00 O ATOM 431 CB LEU A 40 2.617 -5.072 -4.723 1.00 0.00 C ATOM 432 CG LEU A 40 3.580 -3.894 -4.561 1.00 0.00 C ATOM 433 CD1 LEU A 40 3.600 -3.396 -3.115 1.00 0.00 C ATOM 434 CD2 LEU A 40 4.979 -4.256 -5.063 1.00 0.00 C ATOM 0 H LEU A 40 1.702 -3.488 -6.379 1.00 0.00 H new ATOM 0 HA LEU A 40 3.245 -5.800 -6.597 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.682 -4.823 -4.221 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.038 -5.933 -4.204 1.00 0.00 H new ATOM 0 HG LEU A 40 3.220 -3.071 -5.179 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.292 -2.559 -3.028 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.600 -3.071 -2.828 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.922 -4.203 -2.457 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.643 -3.401 -4.936 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.363 -5.102 -4.492 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.929 -4.523 -6.119 1.00 0.00 H new ATOM 446 N GLU A 41 0.084 -6.362 -6.542 1.00 0.00 N ATOM 447 CA GLU A 41 -0.933 -7.392 -6.667 1.00 0.00 C ATOM 448 C GLU A 41 -0.619 -8.307 -7.852 1.00 0.00 C ATOM 449 O GLU A 41 -0.732 -9.527 -7.745 1.00 0.00 O ATOM 450 CB GLU A 41 -2.325 -6.773 -6.806 1.00 0.00 C ATOM 451 CG GLU A 41 -2.986 -6.595 -5.438 1.00 0.00 C ATOM 452 CD GLU A 41 -4.485 -6.325 -5.583 1.00 0.00 C ATOM 453 OE1 GLU A 41 -4.825 -5.157 -5.873 1.00 0.00 O ATOM 454 OE2 GLU A 41 -5.256 -7.291 -5.401 1.00 0.00 O ATOM 0 H GLU A 41 -0.253 -5.410 -6.687 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.928 -7.993 -5.758 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.249 -5.807 -7.305 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.948 -7.409 -7.435 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.831 -7.490 -4.836 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.514 -5.768 -4.907 1.00 0.00 H new ATOM 461 N GLN A 42 -0.232 -7.683 -8.954 1.00 0.00 N ATOM 462 CA GLN A 42 0.099 -8.426 -10.158 1.00 0.00 C ATOM 463 C GLN A 42 1.616 -8.472 -10.354 1.00 0.00 C ATOM 464 O GLN A 42 2.107 -9.115 -11.280 1.00 0.00 O ATOM 465 CB GLN A 42 -0.593 -7.824 -11.382 1.00 0.00 C ATOM 466 CG GLN A 42 -0.103 -6.399 -11.644 1.00 0.00 C ATOM 467 CD GLN A 42 -0.680 -5.851 -12.951 1.00 0.00 C ATOM 468 OE1 GLN A 42 -0.936 -6.576 -13.898 1.00 0.00 O ATOM 469 NE2 GLN A 42 -0.870 -4.535 -12.949 1.00 0.00 N ATOM 0 H GLN A 42 -0.140 -6.671 -9.039 1.00 0.00 H new ATOM 0 HA GLN A 42 -0.264 -9.447 -10.042 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.399 -8.445 -12.256 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -1.672 -7.819 -11.228 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -0.393 -5.753 -10.815 1.00 0.00 H new ATOM 0 HG3 GLN A 42 0.986 -6.388 -11.690 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -0.634 -3.987 -12.122 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -1.252 -4.074 -13.775 1.00 0.00 H new ATOM 478 N ALA A 43 2.316 -7.781 -9.466 1.00 0.00 N ATOM 479 CA ALA A 43 3.767 -7.735 -9.529 1.00 0.00 C ATOM 480 C ALA A 43 4.349 -8.724 -8.518 1.00 0.00 C ATOM 481 O ALA A 43 5.563 -8.913 -8.457 1.00 0.00 O ATOM 482 CB ALA A 43 4.243 -6.302 -9.283 1.00 0.00 C ATOM 0 H ALA A 43 1.905 -7.249 -8.699 1.00 0.00 H new ATOM 0 HA ALA A 43 4.118 -8.030 -10.518 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.331 -6.267 -9.330 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.825 -5.644 -10.045 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.912 -5.973 -8.298 1.00 0.00 H new ATOM 488 N LEU A 44 3.456 -9.330 -7.749 1.00 0.00 N ATOM 489 CA LEU A 44 3.866 -10.295 -6.743 1.00 0.00 C ATOM 490 C LEU A 44 2.752 -11.325 -6.547 1.00 0.00 C ATOM 491 O LEU A 44 3.012 -12.527 -6.514 1.00 0.00 O ATOM 492 CB LEU A 44 4.279 -9.583 -5.454 1.00 0.00 C ATOM 493 CG LEU A 44 5.460 -8.618 -5.569 1.00 0.00 C ATOM 494 CD1 LEU A 44 5.529 -7.687 -4.356 1.00 0.00 C ATOM 495 CD2 LEU A 44 6.771 -9.378 -5.783 1.00 0.00 C ATOM 0 H LEU A 44 2.450 -9.171 -7.803 1.00 0.00 H new ATOM 0 HA LEU A 44 4.750 -10.840 -7.076 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.419 -9.030 -5.077 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.524 -10.339 -4.708 1.00 0.00 H new ATOM 0 HG LEU A 44 5.304 -7.991 -6.447 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.378 -7.012 -4.464 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.609 -7.106 -4.290 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.650 -8.279 -3.449 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.594 -8.668 -5.861 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.946 -10.046 -4.939 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.707 -9.962 -6.701 1.00 0.00 H new ATOM 507 N SER A 45 1.535 -10.817 -6.423 1.00 0.00 N ATOM 508 CA SER A 45 0.380 -11.678 -6.231 1.00 0.00 C ATOM 509 C SER A 45 0.548 -12.502 -4.953 1.00 0.00 C ATOM 510 O SER A 45 0.556 -13.731 -4.999 1.00 0.00 O ATOM 511 CB SER A 45 0.175 -12.600 -7.434 1.00 0.00 C ATOM 512 OG SER A 45 -1.199 -12.709 -7.796 1.00 0.00 O ATOM 0 H SER A 45 1.323 -9.820 -6.452 1.00 0.00 H new ATOM 0 HA SER A 45 -0.504 -11.048 -6.135 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.744 -12.221 -8.283 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.569 -13.590 -7.203 1.00 0.00 H new ATOM 0 HG SER A 45 -1.287 -13.305 -8.569 1.00 0.00 H new ATOM 518 N PRO A 46 0.681 -11.773 -3.813 1.00 0.00 N ATOM 519 CA PRO A 46 0.849 -12.423 -2.524 1.00 0.00 C ATOM 520 C PRO A 46 -0.474 -13.015 -2.032 1.00 0.00 C ATOM 521 O PRO A 46 -1.490 -12.929 -2.720 1.00 0.00 O ATOM 522 CB PRO A 46 1.394 -11.342 -1.605 1.00 0.00 C ATOM 523 CG PRO A 46 1.074 -10.019 -2.283 1.00 0.00 C ATOM 524 CD PRO A 46 0.676 -10.316 -3.720 1.00 0.00 C ATOM 0 HA PRO A 46 1.532 -13.271 -2.567 1.00 0.00 H new ATOM 0 HB2 PRO A 46 0.932 -11.398 -0.619 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.468 -11.457 -1.460 1.00 0.00 H new ATOM 0 HG2 PRO A 46 0.265 -9.508 -1.761 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.939 -9.357 -2.256 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -0.308 -9.908 -3.951 1.00 0.00 H new ATOM 0 HD3 PRO A 46 1.378 -9.872 -4.425 1.00 0.00 H new ATOM 532 N GLU A 47 -0.418 -13.602 -0.846 1.00 0.00 N ATOM 533 CA GLU A 47 -1.599 -14.207 -0.254 1.00 0.00 C ATOM 534 C GLU A 47 -2.347 -13.184 0.602 1.00 0.00 C ATOM 535 O GLU A 47 -3.538 -13.342 0.866 1.00 0.00 O ATOM 536 CB GLU A 47 -1.228 -15.443 0.567 1.00 0.00 C ATOM 537 CG GLU A 47 -0.543 -16.497 -0.306 1.00 0.00 C ATOM 538 CD GLU A 47 -1.507 -17.634 -0.651 1.00 0.00 C ATOM 539 OE1 GLU A 47 -2.638 -17.311 -1.072 1.00 0.00 O ATOM 540 OE2 GLU A 47 -1.090 -18.801 -0.485 1.00 0.00 O ATOM 0 H GLU A 47 0.427 -13.672 -0.279 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.260 -14.531 -1.058 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.566 -15.156 1.384 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.125 -15.867 1.018 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.178 -16.034 -1.223 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.326 -16.898 0.216 1.00 0.00 H new ATOM 547 N VAL A 48 -1.618 -12.157 1.014 1.00 0.00 N ATOM 548 CA VAL A 48 -2.198 -11.108 1.835 1.00 0.00 C ATOM 549 C VAL A 48 -1.487 -9.785 1.542 1.00 0.00 C ATOM 550 O VAL A 48 -0.367 -9.564 2.000 1.00 0.00 O ATOM 551 CB VAL A 48 -2.137 -11.506 3.311 1.00 0.00 C ATOM 552 CG1 VAL A 48 -2.909 -10.510 4.180 1.00 0.00 C ATOM 553 CG2 VAL A 48 -2.656 -12.930 3.517 1.00 0.00 C ATOM 0 H VAL A 48 -0.630 -12.029 0.794 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.252 -10.971 1.592 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.092 -11.482 3.621 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.850 -10.816 5.224 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.475 -9.516 4.068 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -3.953 -10.487 3.867 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.602 -13.188 4.575 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.691 -12.992 3.181 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.046 -13.626 2.942 1.00 0.00 H new ATOM 563 N LEU A 49 -2.167 -8.941 0.782 1.00 0.00 N ATOM 564 CA LEU A 49 -1.615 -7.646 0.423 1.00 0.00 C ATOM 565 C LEU A 49 -2.489 -6.540 1.019 1.00 0.00 C ATOM 566 O LEU A 49 -3.394 -6.035 0.357 1.00 0.00 O ATOM 567 CB LEU A 49 -1.439 -7.540 -1.094 1.00 0.00 C ATOM 568 CG LEU A 49 -0.073 -7.048 -1.578 1.00 0.00 C ATOM 569 CD1 LEU A 49 0.060 -7.205 -3.093 1.00 0.00 C ATOM 570 CD2 LEU A 49 0.182 -5.608 -1.126 1.00 0.00 C ATOM 0 H LEU A 49 -3.096 -9.128 0.404 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.617 -7.527 0.846 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.625 -8.521 -1.531 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.204 -6.868 -1.482 1.00 0.00 H new ATOM 0 HG LEU A 49 0.697 -7.670 -1.121 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.040 -6.848 -3.411 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.048 -8.256 -3.361 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.717 -6.623 -3.589 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.159 -5.282 -1.483 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.590 -4.956 -1.536 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.158 -5.559 -0.037 1.00 0.00 H new ATOM 582 N GLU A 50 -2.187 -6.197 2.262 1.00 0.00 N ATOM 583 CA GLU A 50 -2.934 -5.161 2.955 1.00 0.00 C ATOM 584 C GLU A 50 -2.251 -3.803 2.773 1.00 0.00 C ATOM 585 O GLU A 50 -1.025 -3.711 2.809 1.00 0.00 O ATOM 586 CB GLU A 50 -3.094 -5.499 4.438 1.00 0.00 C ATOM 587 CG GLU A 50 -4.335 -6.363 4.672 1.00 0.00 C ATOM 588 CD GLU A 50 -5.599 -5.502 4.728 1.00 0.00 C ATOM 589 OE1 GLU A 50 -5.809 -4.739 3.761 1.00 0.00 O ATOM 590 OE2 GLU A 50 -6.327 -5.628 5.736 1.00 0.00 O ATOM 0 H GLU A 50 -1.435 -6.618 2.808 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.932 -5.106 2.519 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.208 -6.025 4.792 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.172 -4.579 5.018 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.427 -7.098 3.873 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.226 -6.917 5.604 1.00 0.00 H new ATOM 597 N LEU A 51 -3.076 -2.784 2.581 1.00 0.00 N ATOM 598 CA LEU A 51 -2.567 -1.436 2.393 1.00 0.00 C ATOM 599 C LEU A 51 -3.608 -0.429 2.887 1.00 0.00 C ATOM 600 O LEU A 51 -4.798 -0.573 2.608 1.00 0.00 O ATOM 601 CB LEU A 51 -2.145 -1.220 0.939 1.00 0.00 C ATOM 602 CG LEU A 51 -1.893 0.230 0.521 1.00 0.00 C ATOM 603 CD1 LEU A 51 -1.020 0.953 1.550 1.00 0.00 C ATOM 604 CD2 LEU A 51 -1.297 0.300 -0.886 1.00 0.00 C ATOM 0 H LEU A 51 -4.092 -2.865 2.552 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.667 -1.283 2.988 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.236 -1.793 0.757 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.918 -1.634 0.292 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.852 0.748 0.490 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.856 1.982 1.229 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.521 0.950 2.518 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.061 0.442 1.636 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.128 1.342 -1.158 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.350 -0.239 -0.907 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.988 -0.153 -1.597 1.00 0.00 H new ATOM 616 N ARG A 52 -3.123 0.568 3.612 1.00 0.00 N ATOM 617 CA ARG A 52 -3.997 1.598 4.148 1.00 0.00 C ATOM 618 C ARG A 52 -3.216 2.895 4.368 1.00 0.00 C ATOM 619 O ARG A 52 -1.995 2.922 4.219 1.00 0.00 O ATOM 620 CB ARG A 52 -4.622 1.156 5.472 1.00 0.00 C ATOM 621 CG ARG A 52 -5.563 -0.033 5.265 1.00 0.00 C ATOM 622 CD ARG A 52 -6.773 0.366 4.418 1.00 0.00 C ATOM 623 NE ARG A 52 -7.738 -0.754 4.355 1.00 0.00 N ATOM 624 CZ ARG A 52 -8.617 -1.043 5.324 1.00 0.00 C ATOM 625 NH1 ARG A 52 -8.657 -0.297 6.436 1.00 0.00 N ATOM 626 NH2 ARG A 52 -9.455 -2.079 5.181 1.00 0.00 N ATOM 0 H ARG A 52 -2.136 0.685 3.841 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.793 1.768 3.423 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.836 0.884 6.176 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.172 1.987 5.914 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.025 -0.846 4.777 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.899 -0.408 6.232 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.252 1.246 4.846 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -6.450 0.636 3.412 1.00 0.00 H new ATOM 0 HE ARG A 52 -7.734 -1.343 3.522 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -8.018 0.491 6.545 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -9.326 -0.517 7.174 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -9.424 -2.647 4.335 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -10.124 -2.299 5.919 1.00 0.00 H new ATOM 794 N THR A 66 1.933 10.723 1.912 1.00 0.00 N ATOM 795 CA THR A 66 3.328 10.316 1.912 1.00 0.00 C ATOM 796 C THR A 66 3.522 9.077 2.789 1.00 0.00 C ATOM 797 O THR A 66 4.095 8.083 2.347 1.00 0.00 O ATOM 798 CB THR A 66 4.170 11.514 2.358 1.00 0.00 C ATOM 799 OG1 THR A 66 4.060 11.506 3.779 1.00 0.00 O ATOM 800 CG2 THR A 66 3.551 12.850 1.944 1.00 0.00 C ATOM 0 HA THR A 66 3.655 10.024 0.914 1.00 0.00 H new ATOM 0 HB THR A 66 5.172 11.431 1.936 1.00 0.00 H new ATOM 0 HG1 THR A 66 4.912 11.786 4.175 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.187 13.667 2.285 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.461 12.888 0.858 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.563 12.948 2.394 1.00 0.00 H new ATOM 808 N HIS A 67 3.033 9.178 4.016 1.00 0.00 N ATOM 809 CA HIS A 67 3.145 8.078 4.959 1.00 0.00 C ATOM 810 C HIS A 67 2.106 7.006 4.623 1.00 0.00 C ATOM 811 O HIS A 67 0.914 7.298 4.536 1.00 0.00 O ATOM 812 CB HIS A 67 3.032 8.582 6.399 1.00 0.00 C ATOM 813 CG HIS A 67 4.362 8.877 7.052 1.00 0.00 C ATOM 814 ND1 HIS A 67 5.552 9.269 6.513 1.00 0.00 N flip ATOM 815 CD2 HIS A 67 4.564 8.778 8.417 1.00 0.00 C flip ATOM 816 CE1 HIS A 67 6.434 9.402 7.496 1.00 0.00 C flip ATOM 817 NE2 HIS A 67 5.824 9.098 8.678 1.00 0.00 N flip ATOM 0 H HIS A 67 2.558 10.005 4.379 1.00 0.00 H new ATOM 0 HA HIS A 67 4.130 7.620 4.873 1.00 0.00 H new ATOM 0 HB2 HIS A 67 2.425 9.487 6.410 1.00 0.00 H new ATOM 0 HB3 HIS A 67 2.504 7.837 6.994 1.00 0.00 H new ATOM 0 HD2 HIS A 67 3.822 8.489 9.146 1.00 0.00 H new ATOM 0 HE1 HIS A 67 7.465 9.702 7.379 1.00 0.00 H new ATOM 0 HE2 HIS A 67 6.260 9.114 9.600 1.00 0.00 H new ATOM 825 N PHE A 68 2.596 5.788 4.444 1.00 0.00 N ATOM 826 CA PHE A 68 1.724 4.671 4.120 1.00 0.00 C ATOM 827 C PHE A 68 2.180 3.396 4.833 1.00 0.00 C ATOM 828 O PHE A 68 3.255 3.364 5.428 1.00 0.00 O ATOM 829 CB PHE A 68 1.815 4.457 2.608 1.00 0.00 C ATOM 830 CG PHE A 68 0.725 5.175 1.811 1.00 0.00 C ATOM 831 CD1 PHE A 68 -0.585 4.885 2.036 1.00 0.00 C ATOM 832 CD2 PHE A 68 1.065 6.104 0.878 1.00 0.00 C ATOM 833 CE1 PHE A 68 -1.596 5.552 1.296 1.00 0.00 C ATOM 834 CE2 PHE A 68 0.053 6.771 0.138 1.00 0.00 C ATOM 835 CZ PHE A 68 -1.256 6.481 0.362 1.00 0.00 C ATOM 0 H PHE A 68 3.585 5.550 4.517 1.00 0.00 H new ATOM 0 HA PHE A 68 0.705 4.889 4.439 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.790 4.800 2.261 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.760 3.389 2.399 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.856 4.148 2.777 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.105 6.335 0.700 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.636 5.322 1.475 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.323 7.509 -0.603 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.026 6.988 -0.201 1.00 0.00 H new ATOM 845 N ARG A 69 1.338 2.376 4.748 1.00 0.00 N ATOM 846 CA ARG A 69 1.640 1.102 5.377 1.00 0.00 C ATOM 847 C ARG A 69 1.079 -0.049 4.540 1.00 0.00 C ATOM 848 O ARG A 69 -0.136 -0.206 4.429 1.00 0.00 O ATOM 849 CB ARG A 69 1.053 1.031 6.788 1.00 0.00 C ATOM 850 CG ARG A 69 2.116 0.605 7.803 1.00 0.00 C ATOM 851 CD ARG A 69 1.857 1.246 9.168 1.00 0.00 C ATOM 852 NE ARG A 69 3.056 1.992 9.612 1.00 0.00 N ATOM 853 CZ ARG A 69 4.257 1.432 9.815 1.00 0.00 C ATOM 854 NH1 ARG A 69 4.426 0.118 9.615 1.00 0.00 N ATOM 855 NH2 ARG A 69 5.288 2.187 10.217 1.00 0.00 N ATOM 0 H ARG A 69 0.447 2.407 4.253 1.00 0.00 H new ATOM 0 HA ARG A 69 2.724 1.013 5.443 1.00 0.00 H new ATOM 0 HB2 ARG A 69 0.648 2.004 7.067 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.224 0.324 6.806 1.00 0.00 H new ATOM 0 HG2 ARG A 69 2.116 -0.481 7.901 1.00 0.00 H new ATOM 0 HG3 ARG A 69 3.104 0.893 7.443 1.00 0.00 H new ATOM 0 HD2 ARG A 69 1.002 1.919 9.107 1.00 0.00 H new ATOM 0 HD3 ARG A 69 1.606 0.477 9.898 1.00 0.00 H new ATOM 0 HE ARG A 69 2.963 2.995 9.774 1.00 0.00 H new ATOM 0 HH11 ARG A 69 3.641 -0.456 9.308 1.00 0.00 H new ATOM 0 HH12 ARG A 69 5.340 -0.308 9.769 1.00 0.00 H new ATOM 0 HH21 ARG A 69 5.159 3.187 10.368 1.00 0.00 H new ATOM 0 HH22 ARG A 69 6.202 1.761 10.372 1.00 0.00 H new ATOM 869 N VAL A 70 1.991 -0.826 3.972 1.00 0.00 N ATOM 870 CA VAL A 70 1.602 -1.958 3.149 1.00 0.00 C ATOM 871 C VAL A 70 2.069 -3.253 3.817 1.00 0.00 C ATOM 872 O VAL A 70 3.094 -3.270 4.497 1.00 0.00 O ATOM 873 CB VAL A 70 2.149 -1.786 1.731 1.00 0.00 C ATOM 874 CG1 VAL A 70 3.528 -2.435 1.592 1.00 0.00 C ATOM 875 CG2 VAL A 70 1.173 -2.347 0.695 1.00 0.00 C ATOM 0 H VAL A 70 2.998 -0.693 4.066 1.00 0.00 H new ATOM 0 HA VAL A 70 0.517 -2.011 3.060 1.00 0.00 H new ATOM 0 HB VAL A 70 2.261 -0.718 1.543 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.894 -2.298 0.574 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.221 -1.970 2.292 1.00 0.00 H new ATOM 0 HG13 VAL A 70 3.452 -3.500 1.810 1.00 0.00 H new ATOM 0 HG21 VAL A 70 1.586 -2.212 -0.305 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.015 -3.409 0.882 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.222 -1.820 0.769 1.00 0.00 H new ATOM 885 N ALA A 71 1.294 -4.306 3.600 1.00 0.00 N ATOM 886 CA ALA A 71 1.616 -5.602 4.172 1.00 0.00 C ATOM 887 C ALA A 71 1.517 -6.674 3.085 1.00 0.00 C ATOM 888 O ALA A 71 0.423 -7.131 2.757 1.00 0.00 O ATOM 889 CB ALA A 71 0.686 -5.883 5.354 1.00 0.00 C ATOM 0 H ALA A 71 0.444 -4.288 3.036 1.00 0.00 H new ATOM 0 HA ALA A 71 2.638 -5.611 4.551 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.927 -6.855 5.784 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.816 -5.110 6.111 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.349 -5.885 5.011 1.00 0.00 H new ATOM 895 N VAL A 72 2.674 -7.043 2.556 1.00 0.00 N ATOM 896 CA VAL A 72 2.731 -8.052 1.512 1.00 0.00 C ATOM 897 C VAL A 72 3.005 -9.418 2.144 1.00 0.00 C ATOM 898 O VAL A 72 3.808 -9.528 3.069 1.00 0.00 O ATOM 899 CB VAL A 72 3.773 -7.660 0.461 1.00 0.00 C ATOM 900 CG1 VAL A 72 5.189 -7.753 1.032 1.00 0.00 C ATOM 901 CG2 VAL A 72 3.631 -8.518 -0.797 1.00 0.00 C ATOM 0 H VAL A 72 3.579 -6.662 2.831 1.00 0.00 H new ATOM 0 HA VAL A 72 1.775 -8.119 0.993 1.00 0.00 H new ATOM 0 HB VAL A 72 3.593 -6.622 0.181 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.910 -7.469 0.265 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.282 -7.080 1.884 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.385 -8.776 1.354 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.383 -8.219 -1.528 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.772 -9.568 -0.539 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.637 -8.379 -1.222 1.00 0.00 H new ATOM 911 N VAL A 73 2.322 -10.425 1.619 1.00 0.00 N ATOM 912 CA VAL A 73 2.482 -11.779 2.120 1.00 0.00 C ATOM 913 C VAL A 73 2.655 -12.738 0.941 1.00 0.00 C ATOM 914 O VAL A 73 1.674 -13.239 0.393 1.00 0.00 O ATOM 915 CB VAL A 73 1.300 -12.147 3.020 1.00 0.00 C ATOM 916 CG1 VAL A 73 1.404 -13.597 3.497 1.00 0.00 C ATOM 917 CG2 VAL A 73 1.195 -11.186 4.206 1.00 0.00 C ATOM 0 H VAL A 73 1.657 -10.330 0.852 1.00 0.00 H new ATOM 0 HA VAL A 73 3.379 -11.854 2.735 1.00 0.00 H new ATOM 0 HB VAL A 73 0.388 -12.053 2.430 1.00 0.00 H new ATOM 0 HG11 VAL A 73 0.552 -13.832 4.135 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.407 -14.264 2.635 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.327 -13.729 4.062 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.347 -11.469 4.830 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.111 -11.234 4.795 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.052 -10.170 3.839 1.00 0.00 H new ATOM 927 N SER A 74 3.911 -12.965 0.584 1.00 0.00 N ATOM 928 CA SER A 74 4.226 -13.855 -0.521 1.00 0.00 C ATOM 929 C SER A 74 5.438 -14.719 -0.168 1.00 0.00 C ATOM 930 O SER A 74 6.159 -14.424 0.784 1.00 0.00 O ATOM 931 CB SER A 74 4.492 -13.066 -1.805 1.00 0.00 C ATOM 932 OG SER A 74 3.627 -13.465 -2.865 1.00 0.00 O ATOM 0 H SER A 74 4.722 -12.548 1.040 1.00 0.00 H new ATOM 0 HA SER A 74 3.366 -14.501 -0.695 1.00 0.00 H new ATOM 0 HB2 SER A 74 4.360 -12.002 -1.610 1.00 0.00 H new ATOM 0 HB3 SER A 74 5.529 -13.208 -2.110 1.00 0.00 H new ATOM 0 HG SER A 74 3.827 -12.937 -3.666 1.00 0.00 H new ATOM 938 N SER A 75 5.626 -15.768 -0.955 1.00 0.00 N ATOM 939 CA SER A 75 6.739 -16.677 -0.737 1.00 0.00 C ATOM 940 C SER A 75 7.993 -16.144 -1.433 1.00 0.00 C ATOM 941 O SER A 75 9.057 -16.756 -1.356 1.00 0.00 O ATOM 942 CB SER A 75 6.409 -18.083 -1.241 1.00 0.00 C ATOM 943 OG SER A 75 6.225 -18.114 -2.654 1.00 0.00 O ATOM 0 H SER A 75 5.027 -16.009 -1.744 1.00 0.00 H new ATOM 0 HA SER A 75 6.925 -16.740 0.335 1.00 0.00 H new ATOM 0 HB2 SER A 75 7.213 -18.765 -0.965 1.00 0.00 H new ATOM 0 HB3 SER A 75 5.504 -18.441 -0.750 1.00 0.00 H new ATOM 0 HG SER A 75 6.018 -19.029 -2.937 1.00 0.00 H new ATOM 949 N ARG A 76 7.826 -15.010 -2.097 1.00 0.00 N ATOM 950 CA ARG A 76 8.931 -14.388 -2.806 1.00 0.00 C ATOM 951 C ARG A 76 10.065 -14.053 -1.834 1.00 0.00 C ATOM 952 O ARG A 76 11.236 -14.265 -2.144 1.00 0.00 O ATOM 953 CB ARG A 76 8.481 -13.108 -3.514 1.00 0.00 C ATOM 954 CG ARG A 76 7.758 -13.431 -4.823 1.00 0.00 C ATOM 955 CD ARG A 76 8.684 -13.232 -6.025 1.00 0.00 C ATOM 956 NE ARG A 76 9.857 -14.128 -5.913 1.00 0.00 N ATOM 957 CZ ARG A 76 11.045 -13.885 -6.485 1.00 0.00 C ATOM 958 NH1 ARG A 76 11.223 -12.773 -7.212 1.00 0.00 N ATOM 959 NH2 ARG A 76 12.053 -14.754 -6.331 1.00 0.00 N ATOM 0 H ARG A 76 6.942 -14.506 -2.159 1.00 0.00 H new ATOM 0 HA ARG A 76 9.286 -15.098 -3.553 1.00 0.00 H new ATOM 0 HB2 ARG A 76 7.820 -12.540 -2.860 1.00 0.00 H new ATOM 0 HB3 ARG A 76 9.346 -12.478 -3.718 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.401 -14.461 -4.801 1.00 0.00 H new ATOM 0 HG3 ARG A 76 6.881 -12.792 -4.925 1.00 0.00 H new ATOM 0 HD2 ARG A 76 8.144 -13.440 -6.949 1.00 0.00 H new ATOM 0 HD3 ARG A 76 9.012 -12.194 -6.074 1.00 0.00 H new ATOM 0 HE ARG A 76 9.755 -14.983 -5.367 1.00 0.00 H new ATOM 0 HH11 ARG A 76 10.455 -12.112 -7.330 1.00 0.00 H new ATOM 0 HH12 ARG A 76 12.127 -12.588 -7.647 1.00 0.00 H new ATOM 0 HH21 ARG A 76 11.917 -15.601 -5.779 1.00 0.00 H new ATOM 0 HH22 ARG A 76 12.957 -14.569 -6.766 1.00 0.00 H new ATOM 973 N PHE A 77 9.676 -13.536 -0.677 1.00 0.00 N ATOM 974 CA PHE A 77 10.645 -13.170 0.342 1.00 0.00 C ATOM 975 C PHE A 77 10.951 -14.357 1.259 1.00 0.00 C ATOM 976 O PHE A 77 11.093 -14.190 2.469 1.00 0.00 O ATOM 977 CB PHE A 77 10.018 -12.048 1.172 1.00 0.00 C ATOM 978 CG PHE A 77 9.280 -10.997 0.340 1.00 0.00 C ATOM 979 CD1 PHE A 77 9.976 -10.179 -0.494 1.00 0.00 C ATOM 980 CD2 PHE A 77 7.928 -10.881 0.436 1.00 0.00 C ATOM 981 CE1 PHE A 77 9.290 -9.203 -1.266 1.00 0.00 C ATOM 982 CE2 PHE A 77 7.243 -9.905 -0.336 1.00 0.00 C ATOM 983 CZ PHE A 77 7.939 -9.087 -1.170 1.00 0.00 C ATOM 0 H PHE A 77 8.704 -13.362 -0.423 1.00 0.00 H new ATOM 0 HA PHE A 77 11.578 -12.857 -0.126 1.00 0.00 H new ATOM 0 HB2 PHE A 77 9.321 -12.485 1.888 1.00 0.00 H new ATOM 0 HB3 PHE A 77 10.801 -11.556 1.749 1.00 0.00 H new ATOM 0 HD1 PHE A 77 11.049 -10.271 -0.570 1.00 0.00 H new ATOM 0 HD2 PHE A 77 7.376 -11.531 1.099 1.00 0.00 H new ATOM 0 HE1 PHE A 77 9.842 -8.553 -1.929 1.00 0.00 H new ATOM 0 HE2 PHE A 77 6.170 -9.813 -0.261 1.00 0.00 H new ATOM 0 HZ PHE A 77 7.418 -8.345 -1.757 1.00 0.00 H new ATOM 993 N GLU A 78 11.043 -15.528 0.647 1.00 0.00 N ATOM 994 CA GLU A 78 11.330 -16.742 1.393 1.00 0.00 C ATOM 995 C GLU A 78 12.820 -16.817 1.732 1.00 0.00 C ATOM 996 O GLU A 78 13.646 -17.081 0.860 1.00 0.00 O ATOM 997 CB GLU A 78 10.881 -17.981 0.616 1.00 0.00 C ATOM 998 CG GLU A 78 9.549 -18.511 1.151 1.00 0.00 C ATOM 999 CD GLU A 78 9.526 -20.040 1.149 1.00 0.00 C ATOM 1000 OE1 GLU A 78 9.753 -20.610 0.059 1.00 0.00 O ATOM 1001 OE2 GLU A 78 9.282 -20.606 2.236 1.00 0.00 O ATOM 0 H GLU A 78 10.924 -15.662 -0.357 1.00 0.00 H new ATOM 0 HA GLU A 78 10.767 -16.714 2.326 1.00 0.00 H new ATOM 0 HB2 GLU A 78 10.780 -17.735 -0.441 1.00 0.00 H new ATOM 0 HB3 GLU A 78 11.642 -18.758 0.691 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.388 -18.143 2.164 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.731 -18.131 0.540 1.00 0.00 H new ATOM 1008 N GLY A 79 13.118 -16.580 3.001 1.00 0.00 N ATOM 1009 CA GLY A 79 14.493 -16.618 3.466 1.00 0.00 C ATOM 1010 C GLY A 79 15.365 -15.635 2.682 1.00 0.00 C ATOM 1011 O GLY A 79 16.466 -15.979 2.256 1.00 0.00 O ATOM 0 H GLY A 79 12.430 -16.361 3.721 1.00 0.00 H new ATOM 0 HA2 GLY A 79 14.528 -16.374 4.528 1.00 0.00 H new ATOM 0 HA3 GLY A 79 14.889 -17.628 3.358 1.00 0.00 H new ATOM 1015 N MET A 80 14.838 -14.430 2.515 1.00 0.00 N ATOM 1016 CA MET A 80 15.554 -13.395 1.789 1.00 0.00 C ATOM 1017 C MET A 80 16.053 -12.305 2.739 1.00 0.00 C ATOM 1018 O MET A 80 15.959 -12.447 3.958 1.00 0.00 O ATOM 1019 CB MET A 80 14.629 -12.774 0.740 1.00 0.00 C ATOM 1020 CG MET A 80 14.763 -13.493 -0.603 1.00 0.00 C ATOM 1021 SD MET A 80 15.146 -12.317 -1.890 1.00 0.00 S ATOM 1022 CE MET A 80 13.578 -11.474 -2.016 1.00 0.00 C ATOM 0 H MET A 80 13.924 -14.148 2.870 1.00 0.00 H new ATOM 0 HA MET A 80 16.417 -13.849 1.302 1.00 0.00 H new ATOM 0 HB2 MET A 80 13.596 -12.827 1.084 1.00 0.00 H new ATOM 0 HB3 MET A 80 14.870 -11.718 0.617 1.00 0.00 H new ATOM 0 HG2 MET A 80 15.547 -14.248 -0.544 1.00 0.00 H new ATOM 0 HG3 MET A 80 13.836 -14.014 -0.840 1.00 0.00 H new ATOM 0 HE1 MET A 80 13.101 -11.732 -2.961 1.00 0.00 H new ATOM 0 HE2 MET A 80 12.934 -11.777 -1.190 1.00 0.00 H new ATOM 0 HE3 MET A 80 13.740 -10.397 -1.974 1.00 0.00 H new ATOM 1032 N SER A 81 16.574 -11.240 2.146 1.00 0.00 N ATOM 1033 CA SER A 81 17.088 -10.127 2.925 1.00 0.00 C ATOM 1034 C SER A 81 15.991 -9.080 3.130 1.00 0.00 C ATOM 1035 O SER A 81 14.952 -9.129 2.473 1.00 0.00 O ATOM 1036 CB SER A 81 18.304 -9.494 2.245 1.00 0.00 C ATOM 1037 OG SER A 81 17.941 -8.385 1.426 1.00 0.00 O ATOM 0 H SER A 81 16.651 -11.125 1.135 1.00 0.00 H new ATOM 0 HA SER A 81 17.405 -10.507 3.896 1.00 0.00 H new ATOM 0 HB2 SER A 81 19.014 -9.167 3.004 1.00 0.00 H new ATOM 0 HB3 SER A 81 18.810 -10.244 1.637 1.00 0.00 H new ATOM 0 HG SER A 81 18.728 -7.821 1.271 1.00 0.00 H new ATOM 1043 N PRO A 82 16.266 -8.135 4.068 1.00 0.00 N ATOM 1044 CA PRO A 82 15.314 -7.079 4.368 1.00 0.00 C ATOM 1045 C PRO A 82 15.298 -6.024 3.259 1.00 0.00 C ATOM 1046 O PRO A 82 14.254 -5.446 2.963 1.00 0.00 O ATOM 1047 CB PRO A 82 15.755 -6.521 5.711 1.00 0.00 C ATOM 1048 CG PRO A 82 17.197 -6.965 5.893 1.00 0.00 C ATOM 1049 CD PRO A 82 17.486 -8.046 4.865 1.00 0.00 C ATOM 0 HA PRO A 82 14.287 -7.441 4.420 1.00 0.00 H new ATOM 0 HB2 PRO A 82 15.676 -5.434 5.727 1.00 0.00 H new ATOM 0 HB3 PRO A 82 15.125 -6.899 6.517 1.00 0.00 H new ATOM 0 HG2 PRO A 82 17.875 -6.122 5.761 1.00 0.00 H new ATOM 0 HG3 PRO A 82 17.354 -7.346 6.902 1.00 0.00 H new ATOM 0 HD2 PRO A 82 18.345 -7.785 4.247 1.00 0.00 H new ATOM 0 HD3 PRO A 82 17.716 -8.997 5.345 1.00 0.00 H new ATOM 1057 N LEU A 83 16.468 -5.806 2.677 1.00 0.00 N ATOM 1058 CA LEU A 83 16.602 -4.831 1.608 1.00 0.00 C ATOM 1059 C LEU A 83 15.901 -5.357 0.354 1.00 0.00 C ATOM 1060 O LEU A 83 14.889 -4.804 -0.074 1.00 0.00 O ATOM 1061 CB LEU A 83 18.074 -4.477 1.387 1.00 0.00 C ATOM 1062 CG LEU A 83 18.686 -3.498 2.391 1.00 0.00 C ATOM 1063 CD1 LEU A 83 17.908 -2.181 2.417 1.00 0.00 C ATOM 1064 CD2 LEU A 83 18.789 -4.131 3.780 1.00 0.00 C ATOM 0 H LEU A 83 17.332 -6.288 2.926 1.00 0.00 H new ATOM 0 HA LEU A 83 16.111 -3.897 1.880 1.00 0.00 H new ATOM 0 HB2 LEU A 83 18.656 -5.399 1.407 1.00 0.00 H new ATOM 0 HB3 LEU A 83 18.180 -4.055 0.388 1.00 0.00 H new ATOM 0 HG LEU A 83 19.700 -3.266 2.067 1.00 0.00 H new ATOM 0 HD11 LEU A 83 18.364 -1.503 3.139 1.00 0.00 H new ATOM 0 HD12 LEU A 83 17.931 -1.725 1.427 1.00 0.00 H new ATOM 0 HD13 LEU A 83 16.874 -2.375 2.704 1.00 0.00 H new ATOM 0 HD21 LEU A 83 19.227 -3.414 4.475 1.00 0.00 H new ATOM 0 HD22 LEU A 83 17.794 -4.411 4.127 1.00 0.00 H new ATOM 0 HD23 LEU A 83 19.419 -5.019 3.729 1.00 0.00 H new ATOM 1076 N GLN A 84 16.467 -6.419 -0.201 1.00 0.00 N ATOM 1077 CA GLN A 84 15.909 -7.026 -1.397 1.00 0.00 C ATOM 1078 C GLN A 84 14.381 -6.953 -1.366 1.00 0.00 C ATOM 1079 O GLN A 84 13.756 -6.523 -2.335 1.00 0.00 O ATOM 1080 CB GLN A 84 16.386 -8.471 -1.553 1.00 0.00 C ATOM 1081 CG GLN A 84 17.896 -8.527 -1.789 1.00 0.00 C ATOM 1082 CD GLN A 84 18.355 -9.960 -2.068 1.00 0.00 C ATOM 1083 OE1 GLN A 84 19.047 -10.583 -1.280 1.00 0.00 O ATOM 1084 NE2 GLN A 84 17.931 -10.447 -3.231 1.00 0.00 N ATOM 0 H GLN A 84 17.307 -6.875 0.156 1.00 0.00 H new ATOM 0 HA GLN A 84 16.263 -6.466 -2.263 1.00 0.00 H new ATOM 0 HB2 GLN A 84 16.133 -9.040 -0.658 1.00 0.00 H new ATOM 0 HB3 GLN A 84 15.866 -8.941 -2.388 1.00 0.00 H new ATOM 0 HG2 GLN A 84 18.160 -7.886 -2.630 1.00 0.00 H new ATOM 0 HG3 GLN A 84 18.419 -8.137 -0.916 1.00 0.00 H new ATOM 0 HE21 GLN A 84 17.354 -9.872 -3.845 1.00 0.00 H new ATOM 0 HE22 GLN A 84 18.183 -11.395 -3.509 1.00 0.00 H new ATOM 1093 N ARG A 85 13.823 -7.380 -0.243 1.00 0.00 N ATOM 1094 CA ARG A 85 12.380 -7.369 -0.073 1.00 0.00 C ATOM 1095 C ARG A 85 11.804 -6.022 -0.515 1.00 0.00 C ATOM 1096 O ARG A 85 11.083 -5.948 -1.509 1.00 0.00 O ATOM 1097 CB ARG A 85 11.995 -7.627 1.385 1.00 0.00 C ATOM 1098 CG ARG A 85 12.190 -9.099 1.752 1.00 0.00 C ATOM 1099 CD ARG A 85 12.207 -9.289 3.270 1.00 0.00 C ATOM 1100 NE ARG A 85 12.631 -10.667 3.603 1.00 0.00 N ATOM 1101 CZ ARG A 85 12.786 -11.124 4.853 1.00 0.00 C ATOM 1102 NH1 ARG A 85 12.552 -10.315 5.896 1.00 0.00 N ATOM 1103 NH2 ARG A 85 13.174 -12.389 5.061 1.00 0.00 N ATOM 0 H ARG A 85 14.344 -7.736 0.558 1.00 0.00 H new ATOM 0 HA ARG A 85 11.967 -8.165 -0.692 1.00 0.00 H new ATOM 0 HB2 ARG A 85 12.601 -7.002 2.041 1.00 0.00 H new ATOM 0 HB3 ARG A 85 10.955 -7.343 1.546 1.00 0.00 H new ATOM 0 HG2 ARG A 85 11.388 -9.695 1.316 1.00 0.00 H new ATOM 0 HG3 ARG A 85 13.125 -9.463 1.326 1.00 0.00 H new ATOM 0 HD2 ARG A 85 12.887 -8.570 3.727 1.00 0.00 H new ATOM 0 HD3 ARG A 85 11.216 -9.096 3.680 1.00 0.00 H new ATOM 0 HE ARG A 85 12.817 -11.309 2.833 1.00 0.00 H new ATOM 0 HH11 ARG A 85 12.256 -9.352 5.738 1.00 0.00 H new ATOM 0 HH12 ARG A 85 12.670 -10.663 6.848 1.00 0.00 H new ATOM 0 HH21 ARG A 85 13.352 -13.005 4.268 1.00 0.00 H new ATOM 0 HH22 ARG A 85 13.292 -12.736 6.013 1.00 0.00 H new ATOM 1117 N HIS A 86 12.143 -4.992 0.245 1.00 0.00 N ATOM 1118 CA HIS A 86 11.669 -3.652 -0.056 1.00 0.00 C ATOM 1119 C HIS A 86 12.076 -3.271 -1.481 1.00 0.00 C ATOM 1120 O HIS A 86 11.328 -2.592 -2.183 1.00 0.00 O ATOM 1121 CB HIS A 86 12.166 -2.652 0.990 1.00 0.00 C ATOM 1122 CG HIS A 86 11.574 -2.855 2.364 1.00 0.00 C ATOM 1123 ND1 HIS A 86 11.383 -1.816 3.259 1.00 0.00 N ATOM 1124 CD2 HIS A 86 11.133 -3.986 2.986 1.00 0.00 C ATOM 1125 CE1 HIS A 86 10.851 -2.312 4.367 1.00 0.00 C ATOM 1126 NE2 HIS A 86 10.698 -3.656 4.196 1.00 0.00 N ATOM 0 H HIS A 86 12.740 -5.058 1.069 1.00 0.00 H new ATOM 0 HA HIS A 86 10.580 -3.629 -0.008 1.00 0.00 H new ATOM 0 HB2 HIS A 86 13.251 -2.724 1.059 1.00 0.00 H new ATOM 0 HB3 HIS A 86 11.934 -1.642 0.651 1.00 0.00 H new ATOM 0 HD2 HIS A 86 11.137 -4.981 2.566 1.00 0.00 H new ATOM 0 HE1 HIS A 86 10.585 -1.750 5.250 1.00 0.00 H new ATOM 0 HE2 HIS A 86 10.313 -4.302 4.885 1.00 0.00 H new ATOM 1134 N ARG A 87 13.259 -3.725 -1.866 1.00 0.00 N ATOM 1135 CA ARG A 87 13.774 -3.441 -3.194 1.00 0.00 C ATOM 1136 C ARG A 87 12.831 -4.001 -4.260 1.00 0.00 C ATOM 1137 O ARG A 87 12.557 -3.340 -5.261 1.00 0.00 O ATOM 1138 CB ARG A 87 15.166 -4.046 -3.386 1.00 0.00 C ATOM 1139 CG ARG A 87 15.795 -3.570 -4.697 1.00 0.00 C ATOM 1140 CD ARG A 87 17.067 -4.360 -5.014 1.00 0.00 C ATOM 1141 NE ARG A 87 18.080 -3.466 -5.617 1.00 0.00 N ATOM 1142 CZ ARG A 87 17.948 -2.881 -6.815 1.00 0.00 C ATOM 1143 NH1 ARG A 87 16.845 -3.092 -7.546 1.00 0.00 N ATOM 1144 NH2 ARG A 87 18.919 -2.085 -7.283 1.00 0.00 N ATOM 0 H ARG A 87 13.876 -4.288 -1.281 1.00 0.00 H new ATOM 0 HA ARG A 87 13.843 -2.358 -3.298 1.00 0.00 H new ATOM 0 HB2 ARG A 87 15.806 -3.767 -2.549 1.00 0.00 H new ATOM 0 HB3 ARG A 87 15.097 -5.134 -3.386 1.00 0.00 H new ATOM 0 HG2 ARG A 87 15.079 -3.685 -5.511 1.00 0.00 H new ATOM 0 HG3 ARG A 87 16.030 -2.508 -4.627 1.00 0.00 H new ATOM 0 HD2 ARG A 87 17.463 -4.809 -4.103 1.00 0.00 H new ATOM 0 HD3 ARG A 87 16.837 -5.177 -5.698 1.00 0.00 H new ATOM 0 HE ARG A 87 18.932 -3.284 -5.087 1.00 0.00 H new ATOM 0 HH11 ARG A 87 16.106 -3.698 -7.190 1.00 0.00 H new ATOM 0 HH12 ARG A 87 16.745 -2.646 -8.458 1.00 0.00 H new ATOM 0 HH21 ARG A 87 19.759 -1.924 -6.727 1.00 0.00 H new ATOM 0 HH22 ARG A 87 18.818 -1.640 -8.195 1.00 0.00 H new ATOM 1158 N LEU A 88 12.360 -5.214 -4.010 1.00 0.00 N ATOM 1159 CA LEU A 88 11.453 -5.870 -4.936 1.00 0.00 C ATOM 1160 C LEU A 88 10.235 -4.974 -5.172 1.00 0.00 C ATOM 1161 O LEU A 88 9.923 -4.632 -6.311 1.00 0.00 O ATOM 1162 CB LEU A 88 11.097 -7.271 -4.436 1.00 0.00 C ATOM 1163 CG LEU A 88 11.693 -8.437 -5.228 1.00 0.00 C ATOM 1164 CD1 LEU A 88 12.804 -9.128 -4.434 1.00 0.00 C ATOM 1165 CD2 LEU A 88 10.603 -9.420 -5.661 1.00 0.00 C ATOM 0 H LEU A 88 12.590 -5.760 -3.179 1.00 0.00 H new ATOM 0 HA LEU A 88 11.935 -6.014 -5.903 1.00 0.00 H new ATOM 0 HB2 LEU A 88 11.421 -7.359 -3.399 1.00 0.00 H new ATOM 0 HB3 LEU A 88 10.012 -7.372 -4.440 1.00 0.00 H new ATOM 0 HG LEU A 88 12.146 -8.037 -6.135 1.00 0.00 H new ATOM 0 HD11 LEU A 88 13.211 -9.953 -5.019 1.00 0.00 H new ATOM 0 HD12 LEU A 88 13.596 -8.411 -4.218 1.00 0.00 H new ATOM 0 HD13 LEU A 88 12.397 -9.513 -3.499 1.00 0.00 H new ATOM 0 HD21 LEU A 88 11.053 -10.239 -6.222 1.00 0.00 H new ATOM 0 HD22 LEU A 88 10.100 -9.817 -4.779 1.00 0.00 H new ATOM 0 HD23 LEU A 88 9.878 -8.905 -6.291 1.00 0.00 H new ATOM 1177 N VAL A 89 9.580 -4.619 -4.076 1.00 0.00 N ATOM 1178 CA VAL A 89 8.404 -3.770 -4.149 1.00 0.00 C ATOM 1179 C VAL A 89 8.782 -2.437 -4.798 1.00 0.00 C ATOM 1180 O VAL A 89 8.182 -2.035 -5.794 1.00 0.00 O ATOM 1181 CB VAL A 89 7.791 -3.604 -2.757 1.00 0.00 C ATOM 1182 CG1 VAL A 89 6.607 -2.636 -2.791 1.00 0.00 C ATOM 1183 CG2 VAL A 89 7.376 -4.957 -2.176 1.00 0.00 C ATOM 0 H VAL A 89 9.842 -4.904 -3.132 1.00 0.00 H new ATOM 0 HA VAL A 89 7.639 -4.231 -4.774 1.00 0.00 H new ATOM 0 HB VAL A 89 8.553 -3.178 -2.104 1.00 0.00 H new ATOM 0 HG11 VAL A 89 6.190 -2.536 -1.789 1.00 0.00 H new ATOM 0 HG12 VAL A 89 6.944 -1.661 -3.143 1.00 0.00 H new ATOM 0 HG13 VAL A 89 5.842 -3.020 -3.466 1.00 0.00 H new ATOM 0 HG21 VAL A 89 6.943 -4.811 -1.186 1.00 0.00 H new ATOM 0 HG22 VAL A 89 6.638 -5.423 -2.829 1.00 0.00 H new ATOM 0 HG23 VAL A 89 8.250 -5.603 -2.098 1.00 0.00 H new ATOM 1193 N HIS A 90 9.775 -1.788 -4.207 1.00 0.00 N ATOM 1194 CA HIS A 90 10.240 -0.509 -4.715 1.00 0.00 C ATOM 1195 C HIS A 90 10.519 -0.624 -6.215 1.00 0.00 C ATOM 1196 O HIS A 90 10.103 0.232 -6.995 1.00 0.00 O ATOM 1197 CB HIS A 90 11.453 -0.018 -3.922 1.00 0.00 C ATOM 1198 CG HIS A 90 11.117 0.495 -2.542 1.00 0.00 C ATOM 1199 ND1 HIS A 90 10.013 0.304 -1.765 1.00 0.00 N flip ATOM 1200 CD2 HIS A 90 11.972 1.305 -1.815 1.00 0.00 C flip ATOM 1201 CE1 HIS A 90 10.184 0.961 -0.624 1.00 0.00 C flip ATOM 1202 NE2 HIS A 90 11.398 1.583 -0.654 1.00 0.00 N flip ATOM 0 H HIS A 90 10.270 -2.124 -3.381 1.00 0.00 H new ATOM 0 HA HIS A 90 9.463 0.244 -4.582 1.00 0.00 H new ATOM 0 HB2 HIS A 90 12.169 -0.834 -3.831 1.00 0.00 H new ATOM 0 HB3 HIS A 90 11.945 0.776 -4.484 1.00 0.00 H new ATOM 0 HD2 HIS A 90 12.942 1.651 -2.139 1.00 0.00 H new ATOM 0 HE1 HIS A 90 9.479 0.997 0.193 1.00 0.00 H new ATOM 0 HE2 HIS A 90 11.794 2.161 0.087 1.00 0.00 H new ATOM 1210 N GLU A 91 11.222 -1.688 -6.574 1.00 0.00 N ATOM 1211 CA GLU A 91 11.561 -1.926 -7.967 1.00 0.00 C ATOM 1212 C GLU A 91 10.324 -1.758 -8.851 1.00 0.00 C ATOM 1213 O GLU A 91 10.417 -1.237 -9.962 1.00 0.00 O ATOM 1214 CB GLU A 91 12.183 -3.312 -8.151 1.00 0.00 C ATOM 1215 CG GLU A 91 13.710 -3.229 -8.177 1.00 0.00 C ATOM 1216 CD GLU A 91 14.276 -3.925 -9.416 1.00 0.00 C ATOM 1217 OE1 GLU A 91 13.919 -3.483 -10.529 1.00 0.00 O ATOM 1218 OE2 GLU A 91 15.054 -4.885 -9.222 1.00 0.00 O ATOM 0 H GLU A 91 11.566 -2.395 -5.924 1.00 0.00 H new ATOM 0 HA GLU A 91 12.303 -1.188 -8.271 1.00 0.00 H new ATOM 0 HB2 GLU A 91 11.865 -3.968 -7.341 1.00 0.00 H new ATOM 0 HB3 GLU A 91 11.824 -3.755 -9.080 1.00 0.00 H new ATOM 0 HG2 GLU A 91 14.021 -2.184 -8.168 1.00 0.00 H new ATOM 0 HG3 GLU A 91 14.118 -3.691 -7.278 1.00 0.00 H new ATOM 1225 N ALA A 92 9.195 -2.209 -8.325 1.00 0.00 N ATOM 1226 CA ALA A 92 7.941 -2.115 -9.053 1.00 0.00 C ATOM 1227 C ALA A 92 7.382 -0.697 -8.917 1.00 0.00 C ATOM 1228 O ALA A 92 6.823 -0.152 -9.869 1.00 0.00 O ATOM 1229 CB ALA A 92 6.968 -3.176 -8.534 1.00 0.00 C ATOM 0 H ALA A 92 9.122 -2.640 -7.404 1.00 0.00 H new ATOM 0 HA ALA A 92 8.099 -2.308 -10.114 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.027 -3.105 -9.080 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.399 -4.167 -8.679 1.00 0.00 H new ATOM 0 HB3 ALA A 92 6.784 -3.013 -7.472 1.00 0.00 H new ATOM 1235 N LEU A 93 7.553 -0.139 -7.728 1.00 0.00 N ATOM 1236 CA LEU A 93 7.073 1.205 -7.456 1.00 0.00 C ATOM 1237 C LEU A 93 8.268 2.129 -7.212 1.00 0.00 C ATOM 1238 O LEU A 93 8.377 2.741 -6.150 1.00 0.00 O ATOM 1239 CB LEU A 93 6.062 1.191 -6.308 1.00 0.00 C ATOM 1240 CG LEU A 93 4.796 0.363 -6.539 1.00 0.00 C ATOM 1241 CD1 LEU A 93 4.205 0.640 -7.922 1.00 0.00 C ATOM 1242 CD2 LEU A 93 5.067 -1.127 -6.319 1.00 0.00 C ATOM 0 H LEU A 93 8.017 -0.593 -6.942 1.00 0.00 H new ATOM 0 HA LEU A 93 6.535 1.599 -8.318 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.561 0.814 -5.415 1.00 0.00 H new ATOM 0 HB3 LEU A 93 5.767 2.219 -6.098 1.00 0.00 H new ATOM 0 HG LEU A 93 4.051 0.666 -5.804 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.306 0.039 -8.061 1.00 0.00 H new ATOM 0 HD12 LEU A 93 3.951 1.697 -8.004 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.936 0.382 -8.688 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.151 -1.692 -6.490 1.00 0.00 H new ATOM 0 HD22 LEU A 93 5.836 -1.464 -7.014 1.00 0.00 H new ATOM 0 HD23 LEU A 93 5.407 -1.288 -5.296 1.00 0.00 H new ATOM 1254 N SER A 94 9.134 2.201 -8.212 1.00 0.00 N ATOM 1255 CA SER A 94 10.316 3.040 -8.119 1.00 0.00 C ATOM 1256 C SER A 94 9.932 4.509 -8.303 1.00 0.00 C ATOM 1257 O SER A 94 10.735 5.402 -8.041 1.00 0.00 O ATOM 1258 CB SER A 94 11.364 2.631 -9.156 1.00 0.00 C ATOM 1259 OG SER A 94 12.686 2.956 -8.736 1.00 0.00 O ATOM 0 H SER A 94 9.040 1.692 -9.091 1.00 0.00 H new ATOM 0 HA SER A 94 10.752 2.907 -7.129 1.00 0.00 H new ATOM 0 HB2 SER A 94 11.295 1.558 -9.338 1.00 0.00 H new ATOM 0 HB3 SER A 94 11.151 3.129 -10.102 1.00 0.00 H new ATOM 0 HG SER A 94 13.326 2.678 -9.424 1.00 0.00 H new ATOM 1265 N GLU A 95 8.702 4.714 -8.753 1.00 0.00 N ATOM 1266 CA GLU A 95 8.201 6.059 -8.976 1.00 0.00 C ATOM 1267 C GLU A 95 7.449 6.557 -7.740 1.00 0.00 C ATOM 1268 O GLU A 95 7.461 7.750 -7.440 1.00 0.00 O ATOM 1269 CB GLU A 95 7.310 6.114 -10.218 1.00 0.00 C ATOM 1270 CG GLU A 95 8.148 6.057 -11.497 1.00 0.00 C ATOM 1271 CD GLU A 95 7.436 5.250 -12.585 1.00 0.00 C ATOM 1272 OE1 GLU A 95 7.179 4.054 -12.327 1.00 0.00 O ATOM 1273 OE2 GLU A 95 7.164 5.848 -13.648 1.00 0.00 O ATOM 0 H GLU A 95 8.038 3.970 -8.969 1.00 0.00 H new ATOM 0 HA GLU A 95 9.052 6.718 -9.150 1.00 0.00 H new ATOM 0 HB2 GLU A 95 6.607 5.281 -10.202 1.00 0.00 H new ATOM 0 HB3 GLU A 95 6.720 7.030 -10.206 1.00 0.00 H new ATOM 0 HG2 GLU A 95 8.339 7.068 -11.856 1.00 0.00 H new ATOM 0 HG3 GLU A 95 9.117 5.607 -11.281 1.00 0.00 H new ATOM 1280 N GLU A 96 6.814 5.617 -7.055 1.00 0.00 N ATOM 1281 CA GLU A 96 6.058 5.945 -5.858 1.00 0.00 C ATOM 1282 C GLU A 96 6.986 6.519 -4.785 1.00 0.00 C ATOM 1283 O GLU A 96 6.845 7.676 -4.391 1.00 0.00 O ATOM 1284 CB GLU A 96 5.304 4.722 -5.333 1.00 0.00 C ATOM 1285 CG GLU A 96 4.291 4.220 -6.364 1.00 0.00 C ATOM 1286 CD GLU A 96 3.033 5.091 -6.366 1.00 0.00 C ATOM 1287 OE1 GLU A 96 3.197 6.324 -6.486 1.00 0.00 O ATOM 1288 OE2 GLU A 96 1.936 4.503 -6.248 1.00 0.00 O ATOM 0 H GLU A 96 6.808 4.628 -7.306 1.00 0.00 H new ATOM 0 HA GLU A 96 5.319 6.703 -6.115 1.00 0.00 H new ATOM 0 HB2 GLU A 96 6.012 3.928 -5.096 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.790 4.977 -4.406 1.00 0.00 H new ATOM 0 HG2 GLU A 96 4.743 4.226 -7.356 1.00 0.00 H new ATOM 0 HG3 GLU A 96 4.022 3.187 -6.142 1.00 0.00 H new ATOM 1295 N LEU A 97 7.915 5.684 -4.343 1.00 0.00 N ATOM 1296 CA LEU A 97 8.866 6.093 -3.324 1.00 0.00 C ATOM 1297 C LEU A 97 9.601 7.350 -3.793 1.00 0.00 C ATOM 1298 O LEU A 97 10.076 8.138 -2.977 1.00 0.00 O ATOM 1299 CB LEU A 97 9.797 4.935 -2.963 1.00 0.00 C ATOM 1300 CG LEU A 97 9.273 3.954 -1.912 1.00 0.00 C ATOM 1301 CD1 LEU A 97 8.671 4.700 -0.719 1.00 0.00 C ATOM 1302 CD2 LEU A 97 8.282 2.966 -2.530 1.00 0.00 C ATOM 0 H LEU A 97 8.029 4.725 -4.672 1.00 0.00 H new ATOM 0 HA LEU A 97 8.347 6.353 -2.402 1.00 0.00 H new ATOM 0 HB2 LEU A 97 10.020 4.377 -3.873 1.00 0.00 H new ATOM 0 HB3 LEU A 97 10.739 5.351 -2.605 1.00 0.00 H new ATOM 0 HG LEU A 97 10.115 3.372 -1.537 1.00 0.00 H new ATOM 0 HD11 LEU A 97 8.306 3.980 0.014 1.00 0.00 H new ATOM 0 HD12 LEU A 97 9.434 5.329 -0.261 1.00 0.00 H new ATOM 0 HD13 LEU A 97 7.844 5.323 -1.059 1.00 0.00 H new ATOM 0 HD21 LEU A 97 7.925 2.280 -1.762 1.00 0.00 H new ATOM 0 HD22 LEU A 97 7.437 3.512 -2.950 1.00 0.00 H new ATOM 0 HD23 LEU A 97 8.777 2.400 -3.320 1.00 0.00 H new ATOM 1314 N ALA A 98 9.671 7.499 -5.108 1.00 0.00 N ATOM 1315 CA ALA A 98 10.341 8.647 -5.696 1.00 0.00 C ATOM 1316 C ALA A 98 9.294 9.596 -6.284 1.00 0.00 C ATOM 1317 O ALA A 98 9.249 9.801 -7.496 1.00 0.00 O ATOM 1318 CB ALA A 98 11.348 8.169 -6.744 1.00 0.00 C ATOM 0 H ALA A 98 9.275 6.844 -5.783 1.00 0.00 H new ATOM 0 HA ALA A 98 10.897 9.198 -4.937 1.00 0.00 H new ATOM 0 HB1 ALA A 98 11.850 9.030 -7.185 1.00 0.00 H new ATOM 0 HB2 ALA A 98 12.086 7.521 -6.271 1.00 0.00 H new ATOM 0 HB3 ALA A 98 10.826 7.615 -7.524 1.00 0.00 H new ATOM 1324 N GLY A 99 8.480 10.149 -5.398 1.00 0.00 N ATOM 1325 CA GLY A 99 7.437 11.072 -5.814 1.00 0.00 C ATOM 1326 C GLY A 99 6.542 11.456 -4.634 1.00 0.00 C ATOM 1327 O GLY A 99 6.924 12.277 -3.802 1.00 0.00 O ATOM 0 H GLY A 99 8.521 9.976 -4.394 1.00 0.00 H new ATOM 0 HA2 GLY A 99 7.888 11.968 -6.240 1.00 0.00 H new ATOM 0 HA3 GLY A 99 6.834 10.615 -6.599 1.00 0.00 H new ATOM 1331 N PRO A 100 5.337 10.827 -4.598 1.00 0.00 N ATOM 1332 CA PRO A 100 4.384 11.094 -3.534 1.00 0.00 C ATOM 1333 C PRO A 100 4.814 10.418 -2.231 1.00 0.00 C ATOM 1334 O PRO A 100 4.850 11.055 -1.179 1.00 0.00 O ATOM 1335 CB PRO A 100 3.053 10.580 -4.059 1.00 0.00 C ATOM 1336 CG PRO A 100 3.393 9.629 -5.196 1.00 0.00 C ATOM 1337 CD PRO A 100 4.850 9.848 -5.567 1.00 0.00 C ATOM 0 HA PRO A 100 4.316 12.153 -3.286 1.00 0.00 H new ATOM 0 HB2 PRO A 100 2.495 10.068 -3.275 1.00 0.00 H new ATOM 0 HB3 PRO A 100 2.428 11.401 -4.410 1.00 0.00 H new ATOM 0 HG2 PRO A 100 3.228 8.596 -4.891 1.00 0.00 H new ATOM 0 HG3 PRO A 100 2.748 9.815 -6.055 1.00 0.00 H new ATOM 0 HD2 PRO A 100 5.417 8.919 -5.510 1.00 0.00 H new ATOM 0 HD3 PRO A 100 4.947 10.219 -6.587 1.00 0.00 H new ATOM 1345 N VAL A 101 5.130 9.136 -2.343 1.00 0.00 N ATOM 1346 CA VAL A 101 5.557 8.366 -1.186 1.00 0.00 C ATOM 1347 C VAL A 101 6.997 8.742 -0.832 1.00 0.00 C ATOM 1348 O VAL A 101 7.911 8.531 -1.628 1.00 0.00 O ATOM 1349 CB VAL A 101 5.378 6.871 -1.458 1.00 0.00 C ATOM 1350 CG1 VAL A 101 5.272 6.086 -0.149 1.00 0.00 C ATOM 1351 CG2 VAL A 101 4.161 6.618 -2.350 1.00 0.00 C ATOM 0 H VAL A 101 5.099 8.611 -3.217 1.00 0.00 H new ATOM 0 HA VAL A 101 4.938 8.601 -0.320 1.00 0.00 H new ATOM 0 HB VAL A 101 6.261 6.518 -1.990 1.00 0.00 H new ATOM 0 HG11 VAL A 101 5.145 5.026 -0.370 1.00 0.00 H new ATOM 0 HG12 VAL A 101 6.181 6.229 0.436 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.414 6.443 0.421 1.00 0.00 H new ATOM 0 HG21 VAL A 101 4.056 5.548 -2.528 1.00 0.00 H new ATOM 0 HG22 VAL A 101 3.264 6.993 -1.857 1.00 0.00 H new ATOM 0 HG23 VAL A 101 4.294 7.133 -3.302 1.00 0.00 H new ATOM 1361 N HIS A 102 7.155 9.291 0.363 1.00 0.00 N ATOM 1362 CA HIS A 102 8.469 9.698 0.832 1.00 0.00 C ATOM 1363 C HIS A 102 8.903 8.796 1.989 1.00 0.00 C ATOM 1364 O HIS A 102 10.079 8.760 2.346 1.00 0.00 O ATOM 1365 CB HIS A 102 8.478 11.182 1.202 1.00 0.00 C ATOM 1366 CG HIS A 102 7.893 11.480 2.562 1.00 0.00 C ATOM 1367 ND1 HIS A 102 8.215 12.615 3.285 1.00 0.00 N ATOM 1368 CD2 HIS A 102 7.004 10.779 3.322 1.00 0.00 C ATOM 1369 CE1 HIS A 102 7.545 12.588 4.427 1.00 0.00 C ATOM 1370 NE2 HIS A 102 6.795 11.449 4.449 1.00 0.00 N ATOM 0 H HIS A 102 6.395 9.464 1.021 1.00 0.00 H new ATOM 0 HA HIS A 102 9.198 9.579 0.031 1.00 0.00 H new ATOM 0 HB2 HIS A 102 9.505 11.547 1.172 1.00 0.00 H new ATOM 0 HB3 HIS A 102 7.920 11.737 0.448 1.00 0.00 H new ATOM 0 HD1 HIS A 102 8.859 13.348 2.989 1.00 0.00 H new ATOM 0 HD2 HIS A 102 6.547 9.838 3.053 1.00 0.00 H new ATOM 0 HE1 HIS A 102 7.585 13.337 5.204 1.00 0.00 H new ATOM 1378 N ALA A 103 7.929 8.088 2.542 1.00 0.00 N ATOM 1379 CA ALA A 103 8.195 7.188 3.651 1.00 0.00 C ATOM 1380 C ALA A 103 7.022 6.219 3.809 1.00 0.00 C ATOM 1381 O ALA A 103 5.981 6.582 4.355 1.00 0.00 O ATOM 1382 CB ALA A 103 8.453 8.003 4.920 1.00 0.00 C ATOM 0 H ALA A 103 6.954 8.120 2.243 1.00 0.00 H new ATOM 0 HA ALA A 103 9.089 6.595 3.457 1.00 0.00 H new ATOM 0 HB1 ALA A 103 8.653 7.328 5.752 1.00 0.00 H new ATOM 0 HB2 ALA A 103 9.314 8.653 4.766 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.576 8.610 5.147 1.00 0.00 H new ATOM 1388 N LEU A 104 7.228 5.004 3.322 1.00 0.00 N ATOM 1389 CA LEU A 104 6.200 3.981 3.402 1.00 0.00 C ATOM 1390 C LEU A 104 6.789 2.722 4.043 1.00 0.00 C ATOM 1391 O LEU A 104 7.722 2.127 3.508 1.00 0.00 O ATOM 1392 CB LEU A 104 5.579 3.736 2.025 1.00 0.00 C ATOM 1393 CG LEU A 104 5.157 2.296 1.726 1.00 0.00 C ATOM 1394 CD1 LEU A 104 4.112 1.811 2.733 1.00 0.00 C ATOM 1395 CD2 LEU A 104 4.670 2.156 0.282 1.00 0.00 C ATOM 0 H LEU A 104 8.092 4.705 2.870 1.00 0.00 H new ATOM 0 HA LEU A 104 5.382 4.313 4.041 1.00 0.00 H new ATOM 0 HB2 LEU A 104 4.704 4.378 1.923 1.00 0.00 H new ATOM 0 HB3 LEU A 104 6.295 4.049 1.265 1.00 0.00 H new ATOM 0 HG LEU A 104 6.031 1.654 1.835 1.00 0.00 H new ATOM 0 HD11 LEU A 104 3.829 0.785 2.498 1.00 0.00 H new ATOM 0 HD12 LEU A 104 4.530 1.851 3.739 1.00 0.00 H new ATOM 0 HD13 LEU A 104 3.231 2.451 2.680 1.00 0.00 H new ATOM 0 HD21 LEU A 104 4.376 1.123 0.096 1.00 0.00 H new ATOM 0 HD22 LEU A 104 3.814 2.811 0.122 1.00 0.00 H new ATOM 0 HD23 LEU A 104 5.473 2.434 -0.401 1.00 0.00 H new ATOM 1407 N ALA A 105 6.219 2.355 5.181 1.00 0.00 N ATOM 1408 CA ALA A 105 6.675 1.178 5.901 1.00 0.00 C ATOM 1409 C ALA A 105 6.120 -0.076 5.224 1.00 0.00 C ATOM 1410 O ALA A 105 4.950 -0.415 5.400 1.00 0.00 O ATOM 1411 CB ALA A 105 6.255 1.283 7.369 1.00 0.00 C ATOM 0 H ALA A 105 5.445 2.852 5.622 1.00 0.00 H new ATOM 0 HA ALA A 105 7.763 1.111 5.877 1.00 0.00 H new ATOM 0 HB1 ALA A 105 6.597 0.400 7.909 1.00 0.00 H new ATOM 0 HB2 ALA A 105 6.700 2.174 7.812 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.169 1.349 7.433 1.00 0.00 H new ATOM 1417 N ILE A 106 6.984 -0.731 4.463 1.00 0.00 N ATOM 1418 CA ILE A 106 6.594 -1.941 3.759 1.00 0.00 C ATOM 1419 C ILE A 106 6.787 -3.147 4.680 1.00 0.00 C ATOM 1420 O ILE A 106 7.794 -3.244 5.380 1.00 0.00 O ATOM 1421 CB ILE A 106 7.347 -2.054 2.432 1.00 0.00 C ATOM 1422 CG1 ILE A 106 7.189 -0.779 1.601 1.00 0.00 C ATOM 1423 CG2 ILE A 106 6.910 -3.300 1.658 1.00 0.00 C ATOM 1424 CD1 ILE A 106 7.671 -0.996 0.165 1.00 0.00 C ATOM 0 H ILE A 106 7.953 -0.447 4.318 1.00 0.00 H new ATOM 0 HA ILE A 106 5.536 -1.906 3.498 1.00 0.00 H new ATOM 0 HB ILE A 106 8.409 -2.166 2.651 1.00 0.00 H new ATOM 0 HG12 ILE A 106 6.143 -0.472 1.595 1.00 0.00 H new ATOM 0 HG13 ILE A 106 7.756 0.031 2.060 1.00 0.00 H new ATOM 0 HG21 ILE A 106 7.460 -3.357 0.719 1.00 0.00 H new ATOM 0 HG22 ILE A 106 7.116 -4.189 2.254 1.00 0.00 H new ATOM 0 HG23 ILE A 106 5.842 -3.243 1.450 1.00 0.00 H new ATOM 0 HD11 ILE A 106 7.547 -0.074 -0.403 1.00 0.00 H new ATOM 0 HD12 ILE A 106 8.724 -1.279 0.173 1.00 0.00 H new ATOM 0 HD13 ILE A 106 7.086 -1.790 -0.299 1.00 0.00 H new ATOM 1436 N GLN A 107 5.806 -4.037 4.650 1.00 0.00 N ATOM 1437 CA GLN A 107 5.855 -5.233 5.474 1.00 0.00 C ATOM 1438 C GLN A 107 6.054 -6.472 4.599 1.00 0.00 C ATOM 1439 O GLN A 107 5.092 -7.017 4.060 1.00 0.00 O ATOM 1440 CB GLN A 107 4.593 -5.362 6.328 1.00 0.00 C ATOM 1441 CG GLN A 107 4.945 -5.698 7.779 1.00 0.00 C ATOM 1442 CD GLN A 107 4.141 -4.834 8.753 1.00 0.00 C ATOM 1443 OE1 GLN A 107 3.227 -5.507 9.446 1.00 0.00 O flip ATOM 1444 NE2 GLN A 107 4.338 -3.635 8.867 1.00 0.00 N flip ATOM 0 H GLN A 107 4.972 -3.954 4.068 1.00 0.00 H new ATOM 0 HA GLN A 107 6.705 -5.150 6.151 1.00 0.00 H new ATOM 0 HB2 GLN A 107 4.029 -4.430 6.293 1.00 0.00 H new ATOM 0 HB3 GLN A 107 3.949 -6.139 5.917 1.00 0.00 H new ATOM 0 HG2 GLN A 107 4.744 -6.752 7.971 1.00 0.00 H new ATOM 0 HG3 GLN A 107 6.011 -5.542 7.944 1.00 0.00 H new ATOM 0 HE21 GLN A 107 5.057 -3.180 8.304 1.00 0.00 H new ATOM 0 HE22 GLN A 107 3.784 -3.088 9.526 1.00 0.00 H new ATOM 1453 N ALA A 108 7.309 -6.881 4.484 1.00 0.00 N ATOM 1454 CA ALA A 108 7.647 -8.046 3.684 1.00 0.00 C ATOM 1455 C ALA A 108 7.682 -9.284 4.583 1.00 0.00 C ATOM 1456 O ALA A 108 8.575 -9.424 5.417 1.00 0.00 O ATOM 1457 CB ALA A 108 8.978 -7.806 2.969 1.00 0.00 C ATOM 0 H ALA A 108 8.105 -6.426 4.932 1.00 0.00 H new ATOM 0 HA ALA A 108 6.892 -8.217 2.917 1.00 0.00 H new ATOM 0 HB1 ALA A 108 9.231 -8.680 2.369 1.00 0.00 H new ATOM 0 HB2 ALA A 108 8.891 -6.934 2.321 1.00 0.00 H new ATOM 0 HB3 ALA A 108 9.761 -7.633 3.707 1.00 0.00 H new ATOM 1463 N LYS A 109 6.700 -10.150 4.382 1.00 0.00 N ATOM 1464 CA LYS A 109 6.608 -11.371 5.163 1.00 0.00 C ATOM 1465 C LYS A 109 6.360 -12.554 4.225 1.00 0.00 C ATOM 1466 O LYS A 109 6.270 -12.380 3.011 1.00 0.00 O ATOM 1467 CB LYS A 109 5.553 -11.226 6.262 1.00 0.00 C ATOM 1468 CG LYS A 109 5.752 -9.927 7.045 1.00 0.00 C ATOM 1469 CD LYS A 109 5.742 -10.189 8.553 1.00 0.00 C ATOM 1470 CE LYS A 109 6.044 -8.908 9.334 1.00 0.00 C ATOM 1471 NZ LYS A 109 6.679 -9.230 10.631 1.00 0.00 N ATOM 0 H LYS A 109 5.961 -10.030 3.689 1.00 0.00 H new ATOM 0 HA LYS A 109 7.548 -11.565 5.679 1.00 0.00 H new ATOM 0 HB2 LYS A 109 4.557 -11.239 5.819 1.00 0.00 H new ATOM 0 HB3 LYS A 109 5.611 -12.077 6.941 1.00 0.00 H new ATOM 0 HG2 LYS A 109 6.698 -9.467 6.758 1.00 0.00 H new ATOM 0 HG3 LYS A 109 4.963 -9.220 6.790 1.00 0.00 H new ATOM 0 HD2 LYS A 109 4.769 -10.580 8.851 1.00 0.00 H new ATOM 0 HD3 LYS A 109 6.481 -10.952 8.798 1.00 0.00 H new ATOM 0 HE2 LYS A 109 6.702 -8.265 8.750 1.00 0.00 H new ATOM 0 HE3 LYS A 109 5.122 -8.351 9.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 6.877 -8.350 11.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 6.038 -9.825 11.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 7.569 -9.742 10.464 1.00 0.00 H new ATOM 1485 N THR A 110 6.256 -13.731 4.824 1.00 0.00 N ATOM 1486 CA THR A 110 6.020 -14.943 4.057 1.00 0.00 C ATOM 1487 C THR A 110 4.671 -15.558 4.434 1.00 0.00 C ATOM 1488 O THR A 110 4.075 -15.186 5.444 1.00 0.00 O ATOM 1489 CB THR A 110 7.203 -15.886 4.287 1.00 0.00 C ATOM 1490 OG1 THR A 110 7.627 -15.593 5.616 1.00 0.00 O ATOM 1491 CG2 THR A 110 8.413 -15.528 3.422 1.00 0.00 C ATOM 0 H THR A 110 6.331 -13.872 5.831 1.00 0.00 H new ATOM 0 HA THR A 110 5.958 -14.730 2.990 1.00 0.00 H new ATOM 0 HB THR A 110 6.897 -16.911 4.077 1.00 0.00 H new ATOM 0 HG1 THR A 110 8.603 -15.662 5.671 1.00 0.00 H new ATOM 0 HG21 THR A 110 9.224 -16.228 3.624 1.00 0.00 H new ATOM 0 HG22 THR A 110 8.137 -15.586 2.369 1.00 0.00 H new ATOM 0 HG23 THR A 110 8.741 -14.515 3.656 1.00 0.00 H new ATOM 1499 N PRO A 111 4.216 -16.514 3.579 1.00 0.00 N ATOM 1500 CA PRO A 111 2.948 -17.184 3.812 1.00 0.00 C ATOM 1501 C PRO A 111 3.068 -18.205 4.945 1.00 0.00 C ATOM 1502 O PRO A 111 2.099 -18.888 5.276 1.00 0.00 O ATOM 1503 CB PRO A 111 2.587 -17.817 2.478 1.00 0.00 C ATOM 1504 CG PRO A 111 3.880 -17.873 1.680 1.00 0.00 C ATOM 1505 CD PRO A 111 4.895 -16.980 2.374 1.00 0.00 C ATOM 0 HA PRO A 111 2.164 -16.500 4.139 1.00 0.00 H new ATOM 0 HB2 PRO A 111 2.171 -18.815 2.619 1.00 0.00 H new ATOM 0 HB3 PRO A 111 1.832 -17.228 1.958 1.00 0.00 H new ATOM 0 HG2 PRO A 111 4.249 -18.897 1.622 1.00 0.00 H new ATOM 0 HG3 PRO A 111 3.712 -17.537 0.657 1.00 0.00 H new ATOM 0 HD2 PRO A 111 5.804 -17.530 2.619 1.00 0.00 H new ATOM 0 HD3 PRO A 111 5.189 -16.146 1.737 1.00 0.00 H new ATOM 1513 N ALA A 112 4.264 -18.278 5.510 1.00 0.00 N ATOM 1514 CA ALA A 112 4.523 -19.204 6.599 1.00 0.00 C ATOM 1515 C ALA A 112 4.629 -18.424 7.911 1.00 0.00 C ATOM 1516 O ALA A 112 4.288 -18.942 8.974 1.00 0.00 O ATOM 1517 CB ALA A 112 5.788 -20.009 6.295 1.00 0.00 C ATOM 0 H ALA A 112 5.065 -17.710 5.234 1.00 0.00 H new ATOM 0 HA ALA A 112 3.702 -19.914 6.703 1.00 0.00 H new ATOM 0 HB1 ALA A 112 5.982 -20.704 7.112 1.00 0.00 H new ATOM 0 HB2 ALA A 112 5.650 -20.567 5.369 1.00 0.00 H new ATOM 0 HB3 ALA A 112 6.634 -19.330 6.187 1.00 0.00 H new ATOM 1523 N GLN A 113 5.103 -17.193 7.794 1.00 0.00 N ATOM 1524 CA GLN A 113 5.258 -16.337 8.958 1.00 0.00 C ATOM 1525 C GLN A 113 3.962 -15.570 9.230 1.00 0.00 C ATOM 1526 O GLN A 113 3.553 -15.423 10.381 1.00 0.00 O ATOM 1527 CB GLN A 113 6.436 -15.376 8.780 1.00 0.00 C ATOM 1528 CG GLN A 113 7.750 -16.144 8.627 1.00 0.00 C ATOM 1529 CD GLN A 113 8.671 -15.899 9.825 1.00 0.00 C ATOM 1530 OE1 GLN A 113 8.902 -14.777 10.244 1.00 0.00 O ATOM 1531 NE2 GLN A 113 9.180 -17.010 10.350 1.00 0.00 N ATOM 0 H GLN A 113 5.385 -16.767 6.911 1.00 0.00 H new ATOM 0 HA GLN A 113 5.473 -16.967 9.821 1.00 0.00 H new ATOM 0 HB2 GLN A 113 6.271 -14.751 7.902 1.00 0.00 H new ATOM 0 HB3 GLN A 113 6.499 -14.708 9.639 1.00 0.00 H new ATOM 0 HG2 GLN A 113 7.544 -17.210 8.534 1.00 0.00 H new ATOM 0 HG3 GLN A 113 8.251 -15.836 7.709 1.00 0.00 H new ATOM 0 HE21 GLN A 113 8.945 -17.918 9.949 1.00 0.00 H new ATOM 0 HE22 GLN A 113 9.806 -16.954 11.154 1.00 0.00 H new ATOM 1540 N TRP A 114 3.351 -15.103 8.151 1.00 0.00 N ATOM 1541 CA TRP A 114 2.110 -14.355 8.259 1.00 0.00 C ATOM 1542 C TRP A 114 1.138 -15.173 9.112 1.00 0.00 C ATOM 1543 O TRP A 114 0.227 -14.619 9.724 1.00 0.00 O ATOM 1544 CB TRP A 114 1.552 -14.017 6.875 1.00 0.00 C ATOM 1545 CG TRP A 114 0.101 -13.531 6.891 1.00 0.00 C ATOM 1546 CD1 TRP A 114 -1.013 -14.258 6.730 1.00 0.00 C ATOM 1547 CD2 TRP A 114 -0.350 -12.174 7.085 1.00 0.00 C ATOM 1548 NE1 TRP A 114 -2.145 -13.471 6.806 1.00 0.00 N ATOM 1549 CE2 TRP A 114 -1.728 -12.164 7.029 1.00 0.00 C ATOM 1550 CE3 TRP A 114 0.383 -10.994 7.302 1.00 0.00 C ATOM 1551 CZ2 TRP A 114 -2.493 -11.001 7.180 1.00 0.00 C ATOM 1552 CZ3 TRP A 114 -0.396 -9.841 7.451 1.00 0.00 C ATOM 1553 CH2 TRP A 114 -1.784 -9.814 7.397 1.00 0.00 C ATOM 0 H TRP A 114 3.692 -15.228 7.198 1.00 0.00 H new ATOM 0 HA TRP A 114 2.279 -13.395 8.747 1.00 0.00 H new ATOM 0 HB2 TRP A 114 2.177 -13.248 6.420 1.00 0.00 H new ATOM 0 HB3 TRP A 114 1.622 -14.901 6.241 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -1.024 -15.325 6.562 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -3.110 -13.790 6.715 1.00 0.00 H new ATOM 0 HE3 TRP A 114 1.462 -10.979 7.350 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -3.572 -11.019 7.132 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 0.118 -8.906 7.620 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -2.314 -8.881 7.522 1.00 0.00 H new ATOM 1564 N ARG A 115 1.366 -16.478 9.124 1.00 0.00 N ATOM 1565 CA ARG A 115 0.521 -17.378 9.891 1.00 0.00 C ATOM 1566 C ARG A 115 0.648 -17.079 11.386 1.00 0.00 C ATOM 1567 O ARG A 115 -0.357 -16.920 12.078 1.00 0.00 O ATOM 1568 CB ARG A 115 0.899 -18.839 9.637 1.00 0.00 C ATOM 1569 CG ARG A 115 0.771 -19.187 8.152 1.00 0.00 C ATOM 1570 CD ARG A 115 1.272 -20.607 7.878 1.00 0.00 C ATOM 1571 NE ARG A 115 0.378 -21.593 8.524 1.00 0.00 N ATOM 1572 CZ ARG A 115 0.674 -22.892 8.670 1.00 0.00 C ATOM 1573 NH1 ARG A 115 1.840 -23.369 8.216 1.00 0.00 N ATOM 1574 NH2 ARG A 115 -0.198 -23.714 9.270 1.00 0.00 N ATOM 0 H ARG A 115 2.123 -16.934 8.615 1.00 0.00 H new ATOM 0 HA ARG A 115 -0.509 -17.220 9.571 1.00 0.00 H new ATOM 0 HB2 ARG A 115 1.922 -19.017 9.969 1.00 0.00 H new ATOM 0 HB3 ARG A 115 0.254 -19.493 10.225 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -0.270 -19.098 7.842 1.00 0.00 H new ATOM 0 HG3 ARG A 115 1.342 -18.474 7.557 1.00 0.00 H new ATOM 0 HD2 ARG A 115 1.310 -20.787 6.804 1.00 0.00 H new ATOM 0 HD3 ARG A 115 2.288 -20.722 8.256 1.00 0.00 H new ATOM 0 HE ARG A 115 -0.519 -21.264 8.880 1.00 0.00 H new ATOM 0 HH11 ARG A 115 2.504 -22.744 7.759 1.00 0.00 H new ATOM 0 HH12 ARG A 115 2.065 -24.358 8.327 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -1.086 -23.351 9.615 1.00 0.00 H new ATOM 0 HH22 ARG A 115 0.027 -24.703 9.381 1.00 0.00 H new ATOM 1588 N GLU A 116 1.891 -17.010 11.840 1.00 0.00 N ATOM 1589 CA GLU A 116 2.162 -16.733 13.241 1.00 0.00 C ATOM 1590 C GLU A 116 1.240 -15.623 13.750 1.00 0.00 C ATOM 1591 O GLU A 116 0.760 -15.680 14.881 1.00 0.00 O ATOM 1592 CB GLU A 116 3.631 -16.365 13.452 1.00 0.00 C ATOM 1593 CG GLU A 116 3.855 -14.864 13.256 1.00 0.00 C ATOM 1594 CD GLU A 116 5.345 -14.545 13.119 1.00 0.00 C ATOM 1595 OE1 GLU A 116 6.086 -14.878 14.068 1.00 0.00 O ATOM 1596 OE2 GLU A 116 5.709 -13.974 12.068 1.00 0.00 O ATOM 0 H GLU A 116 2.722 -17.141 11.263 1.00 0.00 H new ATOM 0 HA GLU A 116 1.962 -17.637 13.816 1.00 0.00 H new ATOM 0 HB2 GLU A 116 3.941 -16.654 14.456 1.00 0.00 H new ATOM 0 HB3 GLU A 116 4.253 -16.923 12.753 1.00 0.00 H new ATOM 0 HG2 GLU A 116 3.324 -14.527 12.366 1.00 0.00 H new ATOM 0 HG3 GLU A 116 3.439 -14.317 14.102 1.00 0.00 H new ATOM 1603 N ASN A 117 1.020 -14.639 12.890 1.00 0.00 N ATOM 1604 CA ASN A 117 0.164 -13.518 13.239 1.00 0.00 C ATOM 1605 C ASN A 117 -0.273 -12.798 11.961 1.00 0.00 C ATOM 1606 O ASN A 117 0.445 -11.938 11.452 1.00 0.00 O ATOM 1607 CB ASN A 117 0.907 -12.510 14.118 1.00 0.00 C ATOM 1608 CG ASN A 117 0.141 -11.189 14.205 1.00 0.00 C ATOM 1609 OD1 ASN A 117 -1.078 -11.145 14.178 1.00 0.00 O ATOM 1610 ND2 ASN A 117 0.921 -10.117 14.312 1.00 0.00 N ATOM 0 H ASN A 117 1.420 -14.595 11.953 1.00 0.00 H new ATOM 0 HA ASN A 117 -0.696 -13.908 13.784 1.00 0.00 H new ATOM 0 HB2 ASN A 117 1.041 -12.923 15.118 1.00 0.00 H new ATOM 0 HB3 ASN A 117 1.902 -12.331 13.711 1.00 0.00 H new ATOM 0 HD21 ASN A 117 0.505 -9.188 14.377 1.00 0.00 H new ATOM 0 HD22 ASN A 117 1.935 -10.224 14.329 1.00 0.00 H new ATOM 1617 N PRO A 118 -1.478 -13.187 11.466 1.00 0.00 N ATOM 1618 CA PRO A 118 -2.019 -12.589 10.257 1.00 0.00 C ATOM 1619 C PRO A 118 -2.547 -11.180 10.532 1.00 0.00 C ATOM 1620 O PRO A 118 -3.019 -10.501 9.620 1.00 0.00 O ATOM 1621 CB PRO A 118 -3.102 -13.550 9.793 1.00 0.00 C ATOM 1622 CG PRO A 118 -3.445 -14.406 11.001 1.00 0.00 C ATOM 1623 CD PRO A 118 -2.355 -14.203 12.041 1.00 0.00 C ATOM 0 HA PRO A 118 -1.266 -12.454 9.481 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -3.978 -13.008 9.437 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -2.749 -14.166 8.965 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -4.417 -14.123 11.406 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -3.512 -15.456 10.718 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -2.772 -13.873 12.993 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -1.814 -15.130 12.234 1.00 0.00 H new ATOM 1631 N GLN A 119 -2.451 -10.782 11.792 1.00 0.00 N ATOM 1632 CA GLN A 119 -2.914 -9.465 12.198 1.00 0.00 C ATOM 1633 C GLN A 119 -1.771 -8.451 12.112 1.00 0.00 C ATOM 1634 O GLN A 119 -0.738 -8.619 12.759 1.00 0.00 O ATOM 1635 CB GLN A 119 -3.508 -9.504 13.607 1.00 0.00 C ATOM 1636 CG GLN A 119 -4.217 -8.189 13.939 1.00 0.00 C ATOM 1637 CD GLN A 119 -5.175 -8.366 15.119 1.00 0.00 C ATOM 1638 OE1 GLN A 119 -5.759 -9.417 15.327 1.00 0.00 O ATOM 1639 NE2 GLN A 119 -5.302 -7.282 15.879 1.00 0.00 N ATOM 0 H GLN A 119 -2.060 -11.348 12.545 1.00 0.00 H new ATOM 0 HA GLN A 119 -3.703 -9.152 11.515 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -4.213 -10.332 13.686 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -2.717 -9.689 14.334 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -3.479 -7.423 14.177 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -4.769 -7.839 13.067 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -4.784 -6.434 15.649 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -5.917 -7.299 16.692 1.00 0.00 H new ATOM 1648 N LEU A 120 -1.995 -7.422 11.309 1.00 0.00 N ATOM 1649 CA LEU A 120 -0.997 -6.381 11.131 1.00 0.00 C ATOM 1650 C LEU A 120 -1.153 -5.336 12.239 1.00 0.00 C ATOM 1651 O LEU A 120 -2.257 -5.104 12.727 1.00 0.00 O ATOM 1652 CB LEU A 120 -1.079 -5.797 9.719 1.00 0.00 C ATOM 1653 CG LEU A 120 -0.684 -6.739 8.580 1.00 0.00 C ATOM 1654 CD1 LEU A 120 -1.456 -6.406 7.302 1.00 0.00 C ATOM 1655 CD2 LEU A 120 0.829 -6.724 8.356 1.00 0.00 C ATOM 0 H LEU A 120 -2.853 -7.287 10.774 1.00 0.00 H new ATOM 0 HA LEU A 120 0.007 -6.796 11.222 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -2.100 -5.458 9.546 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -0.439 -4.916 9.674 1.00 0.00 H new ATOM 0 HG LEU A 120 -0.957 -7.755 8.866 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -1.157 -7.090 6.508 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -2.525 -6.509 7.486 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -1.236 -5.382 7.001 1.00 0.00 H new ATOM 0 HD21 LEU A 120 1.083 -7.402 7.541 1.00 0.00 H new ATOM 0 HD22 LEU A 120 1.149 -5.714 8.101 1.00 0.00 H new ATOM 0 HD23 LEU A 120 1.335 -7.046 9.266 1.00 0.00 H new