USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 690 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 74 THR OG1 : rot 122:sc= 1.97 USER MOD Set 1.2: A 92 ASN : amide:sc= 0.183 K(o=2.2,f=-1.1!) USER MOD Set 2.1: A 33 ASN : amide:sc= 0.00666 X(o=0.15,f=-0.14) USER MOD Set 2.2: A 37 SER OG : rot -47:sc= 0.143 USER MOD Set 3.1: A 11 GLN : amide:sc= 0.87 K(o=2,f=-0.67) USER MOD Set 3.2: A 78 TYR OH : rot 46:sc= 1.12 USER MOD Single : A 0 MET CE :methyl 150:sc= -1.89 (180deg=-4.18!) USER MOD Single : A 0 MET N :NH3+ 150:sc= -0.286 (180deg=-0.663) USER MOD Single : A 1 MET CE :methyl 172:sc= -0.92 (180deg=-1.14) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot -82:sc= 0.692 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.089 USER MOD Single : A 24 MET CE :methyl -112:sc= -0.336 (180deg=-0.617) USER MOD Single : A 25 CYS SG : rot -3:sc= -2.59! USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl 174:sc= -1.88 (180deg=-1.95) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 110:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 97:sc= 0.835 USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.558 X(o=-0.56,f=-0.21) USER MOD Single : A 87 HIS : no HD1:sc= -0.0774 X(o=-0.077,f=-0.049) USER MOD ----------------------------------------------------------------- ATOM 295 N MET A 0 96.663 10.459 -1.181 1.00 0.00 N ATOM 296 CA MET A 0 97.301 9.208 -1.569 1.00 0.00 C ATOM 297 C MET A 0 96.548 8.552 -2.713 1.00 0.00 C ATOM 298 O MET A 0 95.381 8.864 -2.959 1.00 0.00 O ATOM 299 CB MET A 0 97.332 8.230 -0.393 1.00 0.00 C ATOM 300 CG MET A 0 98.240 8.637 0.752 1.00 0.00 C ATOM 301 SD MET A 0 98.084 7.526 2.161 1.00 0.00 S ATOM 302 CE MET A 0 98.332 5.936 1.371 1.00 0.00 C ATOM 0 H1 MET A 0 96.823 10.631 -0.168 1.00 0.00 H new ATOM 0 H2 MET A 0 97.068 11.241 -1.733 1.00 0.00 H new ATOM 0 H3 MET A 0 95.641 10.399 -1.364 1.00 0.00 H new ATOM 0 HA MET A 0 98.318 9.445 -1.883 1.00 0.00 H new ATOM 0 HB2 MET A 0 96.318 8.113 -0.010 1.00 0.00 H new ATOM 0 HB3 MET A 0 97.649 7.254 -0.759 1.00 0.00 H new ATOM 0 HG2 MET A 0 99.275 8.645 0.409 1.00 0.00 H new ATOM 0 HG3 MET A 0 97.999 9.654 1.063 1.00 0.00 H new ATOM 0 HE1 MET A 0 98.785 5.244 2.081 1.00 0.00 H new ATOM 0 HE2 MET A 0 97.372 5.540 1.041 1.00 0.00 H new ATOM 0 HE3 MET A 0 98.990 6.056 0.510 1.00 0.00 H new ATOM 312 N MET A 1 97.218 7.640 -3.401 1.00 0.00 N ATOM 313 CA MET A 1 96.570 6.819 -4.411 1.00 0.00 C ATOM 314 C MET A 1 95.974 5.587 -3.744 1.00 0.00 C ATOM 315 O MET A 1 96.632 4.551 -3.632 1.00 0.00 O ATOM 316 CB MET A 1 97.552 6.391 -5.512 1.00 0.00 C ATOM 317 CG MET A 1 98.208 7.550 -6.252 1.00 0.00 C ATOM 318 SD MET A 1 99.477 8.381 -5.273 1.00 0.00 S ATOM 319 CE MET A 1 100.661 7.052 -5.055 1.00 0.00 C ATOM 0 H MET A 1 98.212 7.450 -3.277 1.00 0.00 H new ATOM 0 HA MET A 1 95.785 7.411 -4.882 1.00 0.00 H new ATOM 0 HB2 MET A 1 98.331 5.772 -5.067 1.00 0.00 H new ATOM 0 HB3 MET A 1 97.022 5.768 -6.233 1.00 0.00 H new ATOM 0 HG2 MET A 1 98.653 7.179 -7.175 1.00 0.00 H new ATOM 0 HG3 MET A 1 97.443 8.273 -6.535 1.00 0.00 H new ATOM 0 HE1 MET A 1 101.567 7.444 -4.593 1.00 0.00 H new ATOM 0 HE2 MET A 1 100.230 6.283 -4.414 1.00 0.00 H new ATOM 0 HE3 MET A 1 100.906 6.620 -6.025 1.00 0.00 H new ATOM 329 N PHE A 2 94.753 5.724 -3.255 1.00 0.00 N ATOM 330 CA PHE A 2 94.068 4.626 -2.594 1.00 0.00 C ATOM 331 C PHE A 2 92.715 4.396 -3.245 1.00 0.00 C ATOM 332 O PHE A 2 91.796 5.199 -3.090 1.00 0.00 O ATOM 333 CB PHE A 2 93.898 4.915 -1.098 1.00 0.00 C ATOM 334 CG PHE A 2 93.206 3.813 -0.337 1.00 0.00 C ATOM 335 CD1 PHE A 2 93.786 2.562 -0.232 1.00 0.00 C ATOM 336 CD2 PHE A 2 91.984 4.035 0.281 1.00 0.00 C ATOM 337 CE1 PHE A 2 93.163 1.547 0.471 1.00 0.00 C ATOM 338 CE2 PHE A 2 91.355 3.024 0.985 1.00 0.00 C ATOM 339 CZ PHE A 2 91.946 1.779 1.081 1.00 0.00 C ATOM 0 H PHE A 2 94.214 6.589 -3.304 1.00 0.00 H new ATOM 0 HA PHE A 2 94.671 3.724 -2.699 1.00 0.00 H new ATOM 0 HB2 PHE A 2 94.880 5.086 -0.657 1.00 0.00 H new ATOM 0 HB3 PHE A 2 93.330 5.838 -0.979 1.00 0.00 H new ATOM 0 HD1 PHE A 2 94.739 2.375 -0.705 1.00 0.00 H new ATOM 0 HD2 PHE A 2 91.519 5.007 0.212 1.00 0.00 H new ATOM 0 HE1 PHE A 2 93.627 0.575 0.543 1.00 0.00 H new ATOM 0 HE2 PHE A 2 90.402 3.208 1.459 1.00 0.00 H new ATOM 0 HZ PHE A 2 91.457 0.989 1.632 1.00 0.00 H new ATOM 349 N LYS A 3 92.603 3.311 -3.990 1.00 0.00 N ATOM 350 CA LYS A 3 91.357 2.984 -4.655 1.00 0.00 C ATOM 351 C LYS A 3 90.470 2.147 -3.755 1.00 0.00 C ATOM 352 O LYS A 3 90.658 0.940 -3.639 1.00 0.00 O ATOM 353 CB LYS A 3 91.598 2.236 -5.966 1.00 0.00 C ATOM 354 CG LYS A 3 91.992 3.130 -7.128 1.00 0.00 C ATOM 355 CD LYS A 3 91.893 2.379 -8.444 1.00 0.00 C ATOM 356 CE LYS A 3 92.023 3.314 -9.631 1.00 0.00 C ATOM 357 NZ LYS A 3 91.735 2.619 -10.913 1.00 0.00 N ATOM 0 H LYS A 3 93.358 2.644 -4.149 1.00 0.00 H new ATOM 0 HA LYS A 3 90.858 3.927 -4.880 1.00 0.00 H new ATOM 0 HB2 LYS A 3 92.382 1.495 -5.810 1.00 0.00 H new ATOM 0 HB3 LYS A 3 90.693 1.691 -6.232 1.00 0.00 H new ATOM 0 HG2 LYS A 3 91.344 4.006 -7.155 1.00 0.00 H new ATOM 0 HG3 LYS A 3 93.011 3.491 -6.986 1.00 0.00 H new ATOM 0 HD2 LYS A 3 92.674 1.620 -8.490 1.00 0.00 H new ATOM 0 HD3 LYS A 3 90.938 1.856 -8.495 1.00 0.00 H new ATOM 0 HE2 LYS A 3 91.338 4.153 -9.510 1.00 0.00 H new ATOM 0 HE3 LYS A 3 93.031 3.727 -9.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 91.834 3.290 -11.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 92.405 1.834 -11.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 90.764 2.246 -10.895 1.00 0.00 H new ATOM 371 N LEU A 4 89.529 2.795 -3.096 1.00 0.00 N ATOM 372 CA LEU A 4 88.523 2.084 -2.333 1.00 0.00 C ATOM 373 C LEU A 4 87.301 1.885 -3.219 1.00 0.00 C ATOM 374 O LEU A 4 86.548 2.826 -3.479 1.00 0.00 O ATOM 375 CB LEU A 4 88.177 2.854 -1.049 1.00 0.00 C ATOM 376 CG LEU A 4 87.340 2.089 -0.012 1.00 0.00 C ATOM 377 CD1 LEU A 4 87.537 2.686 1.371 1.00 0.00 C ATOM 378 CD2 LEU A 4 85.864 2.117 -0.375 1.00 0.00 C ATOM 0 H LEU A 4 89.440 3.811 -3.074 1.00 0.00 H new ATOM 0 HA LEU A 4 88.901 1.109 -2.024 1.00 0.00 H new ATOM 0 HB2 LEU A 4 89.107 3.169 -0.576 1.00 0.00 H new ATOM 0 HB3 LEU A 4 87.638 3.760 -1.326 1.00 0.00 H new ATOM 0 HG LEU A 4 87.678 1.053 -0.008 1.00 0.00 H new ATOM 0 HD11 LEU A 4 86.938 2.133 2.095 1.00 0.00 H new ATOM 0 HD12 LEU A 4 88.589 2.623 1.648 1.00 0.00 H new ATOM 0 HD13 LEU A 4 87.225 3.731 1.364 1.00 0.00 H new ATOM 0 HD21 LEU A 4 85.294 1.568 0.375 1.00 0.00 H new ATOM 0 HD22 LEU A 4 85.517 3.150 -0.410 1.00 0.00 H new ATOM 0 HD23 LEU A 4 85.720 1.653 -1.351 1.00 0.00 H new ATOM 390 N THR A 5 87.138 0.666 -3.713 1.00 0.00 N ATOM 391 CA THR A 5 86.063 0.346 -4.637 1.00 0.00 C ATOM 392 C THR A 5 84.689 0.529 -3.994 1.00 0.00 C ATOM 393 O THR A 5 84.508 0.261 -2.806 1.00 0.00 O ATOM 394 CB THR A 5 86.200 -1.097 -5.155 1.00 0.00 C ATOM 395 OG1 THR A 5 86.411 -1.994 -4.056 1.00 0.00 O ATOM 396 CG2 THR A 5 87.355 -1.208 -6.141 1.00 0.00 C ATOM 0 H THR A 5 87.743 -0.123 -3.486 1.00 0.00 H new ATOM 0 HA THR A 5 86.145 1.040 -5.473 1.00 0.00 H new ATOM 0 HB THR A 5 85.278 -1.367 -5.669 1.00 0.00 H new ATOM 0 HG1 THR A 5 87.358 -1.988 -3.806 1.00 0.00 H new ATOM 0 HG21 THR A 5 87.434 -2.236 -6.495 1.00 0.00 H new ATOM 0 HG22 THR A 5 87.175 -0.546 -6.988 1.00 0.00 H new ATOM 0 HG23 THR A 5 88.284 -0.922 -5.647 1.00 0.00 H new ATOM 404 N PRO A 6 83.706 1.003 -4.779 1.00 0.00 N ATOM 405 CA PRO A 6 82.327 1.190 -4.312 1.00 0.00 C ATOM 406 C PRO A 6 81.721 -0.093 -3.742 1.00 0.00 C ATOM 407 O PRO A 6 80.824 -0.043 -2.895 1.00 0.00 O ATOM 408 CB PRO A 6 81.565 1.630 -5.568 1.00 0.00 C ATOM 409 CG PRO A 6 82.470 1.332 -6.716 1.00 0.00 C ATOM 410 CD PRO A 6 83.867 1.418 -6.178 1.00 0.00 C ATOM 0 HA PRO A 6 82.278 1.913 -3.498 1.00 0.00 H new ATOM 0 HB2 PRO A 6 80.622 1.091 -5.663 1.00 0.00 H new ATOM 0 HB3 PRO A 6 81.322 2.692 -5.527 1.00 0.00 H new ATOM 0 HG2 PRO A 6 82.270 0.341 -7.123 1.00 0.00 H new ATOM 0 HG3 PRO A 6 82.320 2.046 -7.526 1.00 0.00 H new ATOM 0 HD2 PRO A 6 84.549 0.761 -6.718 1.00 0.00 H new ATOM 0 HD3 PRO A 6 84.268 2.428 -6.256 1.00 0.00 H new ATOM 418 N ALA A 7 82.207 -1.239 -4.207 1.00 0.00 N ATOM 419 CA ALA A 7 81.763 -2.522 -3.682 1.00 0.00 C ATOM 420 C ALA A 7 82.270 -2.719 -2.258 1.00 0.00 C ATOM 421 O ALA A 7 81.516 -3.105 -1.365 1.00 0.00 O ATOM 422 CB ALA A 7 82.232 -3.656 -4.578 1.00 0.00 C ATOM 0 H ALA A 7 82.908 -1.304 -4.946 1.00 0.00 H new ATOM 0 HA ALA A 7 80.673 -2.529 -3.663 1.00 0.00 H new ATOM 0 HB1 ALA A 7 81.891 -4.607 -4.170 1.00 0.00 H new ATOM 0 HB2 ALA A 7 81.821 -3.523 -5.579 1.00 0.00 H new ATOM 0 HB3 ALA A 7 83.321 -3.653 -4.629 1.00 0.00 H new ATOM 428 N ALA A 8 83.551 -2.430 -2.047 1.00 0.00 N ATOM 429 CA ALA A 8 84.150 -2.538 -0.723 1.00 0.00 C ATOM 430 C ALA A 8 83.594 -1.460 0.199 1.00 0.00 C ATOM 431 O ALA A 8 83.497 -1.654 1.411 1.00 0.00 O ATOM 432 CB ALA A 8 85.665 -2.433 -0.809 1.00 0.00 C ATOM 0 H ALA A 8 84.193 -2.119 -2.776 1.00 0.00 H new ATOM 0 HA ALA A 8 83.897 -3.515 -0.310 1.00 0.00 H new ATOM 0 HB1 ALA A 8 86.093 -2.516 0.190 1.00 0.00 H new ATOM 0 HB2 ALA A 8 86.050 -3.237 -1.437 1.00 0.00 H new ATOM 0 HB3 ALA A 8 85.939 -1.471 -1.242 1.00 0.00 H new ATOM 438 N ALA A 9 83.222 -0.329 -0.394 1.00 0.00 N ATOM 439 CA ALA A 9 82.641 0.784 0.347 1.00 0.00 C ATOM 440 C ALA A 9 81.403 0.348 1.119 1.00 0.00 C ATOM 441 O ALA A 9 81.196 0.767 2.256 1.00 0.00 O ATOM 442 CB ALA A 9 82.298 1.928 -0.594 1.00 0.00 C ATOM 0 H ALA A 9 83.314 -0.160 -1.396 1.00 0.00 H new ATOM 0 HA ALA A 9 83.384 1.129 1.066 1.00 0.00 H new ATOM 0 HB1 ALA A 9 81.865 2.750 -0.024 1.00 0.00 H new ATOM 0 HB2 ALA A 9 83.203 2.271 -1.095 1.00 0.00 H new ATOM 0 HB3 ALA A 9 81.579 1.584 -1.338 1.00 0.00 H new ATOM 448 N GLU A 10 80.592 -0.507 0.505 1.00 0.00 N ATOM 449 CA GLU A 10 79.385 -1.002 1.153 1.00 0.00 C ATOM 450 C GLU A 10 79.720 -1.894 2.336 1.00 0.00 C ATOM 451 O GLU A 10 79.009 -1.893 3.332 1.00 0.00 O ATOM 452 CB GLU A 10 78.501 -1.769 0.177 1.00 0.00 C ATOM 453 CG GLU A 10 77.731 -0.882 -0.780 1.00 0.00 C ATOM 454 CD GLU A 10 76.588 -1.624 -1.435 1.00 0.00 C ATOM 455 OE1 GLU A 10 75.513 -1.732 -0.808 1.00 0.00 O ATOM 456 OE2 GLU A 10 76.762 -2.120 -2.566 1.00 0.00 O ATOM 0 H GLU A 10 80.748 -0.870 -0.436 1.00 0.00 H new ATOM 0 HA GLU A 10 78.839 -0.129 1.510 1.00 0.00 H new ATOM 0 HB2 GLU A 10 79.122 -2.455 -0.399 1.00 0.00 H new ATOM 0 HB3 GLU A 10 77.794 -2.377 0.742 1.00 0.00 H new ATOM 0 HG2 GLU A 10 77.342 -0.017 -0.242 1.00 0.00 H new ATOM 0 HG3 GLU A 10 78.406 -0.503 -1.547 1.00 0.00 H new ATOM 463 N GLN A 11 80.803 -2.648 2.227 1.00 0.00 N ATOM 464 CA GLN A 11 81.213 -3.541 3.304 1.00 0.00 C ATOM 465 C GLN A 11 81.681 -2.727 4.507 1.00 0.00 C ATOM 466 O GLN A 11 81.363 -3.047 5.654 1.00 0.00 O ATOM 467 CB GLN A 11 82.325 -4.479 2.827 1.00 0.00 C ATOM 468 CG GLN A 11 82.674 -5.569 3.830 1.00 0.00 C ATOM 469 CD GLN A 11 81.512 -6.507 4.106 1.00 0.00 C ATOM 470 OE1 GLN A 11 80.668 -6.744 3.243 1.00 0.00 O ATOM 471 NE2 GLN A 11 81.466 -7.049 5.313 1.00 0.00 N ATOM 0 H GLN A 11 81.412 -2.661 1.409 1.00 0.00 H new ATOM 0 HA GLN A 11 80.358 -4.148 3.602 1.00 0.00 H new ATOM 0 HB2 GLN A 11 82.020 -4.944 1.889 1.00 0.00 H new ATOM 0 HB3 GLN A 11 83.219 -3.892 2.616 1.00 0.00 H new ATOM 0 HG2 GLN A 11 83.519 -6.145 3.454 1.00 0.00 H new ATOM 0 HG3 GLN A 11 82.993 -5.108 4.765 1.00 0.00 H new ATOM 0 HE21 GLN A 11 82.186 -6.826 6.000 1.00 0.00 H new ATOM 0 HE22 GLN A 11 80.710 -7.690 5.556 1.00 0.00 H new ATOM 480 N VAL A 12 82.426 -1.665 4.231 1.00 0.00 N ATOM 481 CA VAL A 12 82.890 -0.758 5.272 1.00 0.00 C ATOM 482 C VAL A 12 81.710 0.003 5.874 1.00 0.00 C ATOM 483 O VAL A 12 81.597 0.145 7.094 1.00 0.00 O ATOM 484 CB VAL A 12 83.927 0.244 4.721 1.00 0.00 C ATOM 485 CG1 VAL A 12 84.445 1.151 5.824 1.00 0.00 C ATOM 486 CG2 VAL A 12 85.079 -0.493 4.052 1.00 0.00 C ATOM 0 H VAL A 12 82.723 -1.410 3.289 1.00 0.00 H new ATOM 0 HA VAL A 12 83.369 -1.357 6.046 1.00 0.00 H new ATOM 0 HB VAL A 12 83.433 0.866 3.974 1.00 0.00 H new ATOM 0 HG11 VAL A 12 85.174 1.848 5.410 1.00 0.00 H new ATOM 0 HG12 VAL A 12 83.614 1.709 6.256 1.00 0.00 H new ATOM 0 HG13 VAL A 12 84.919 0.548 6.599 1.00 0.00 H new ATOM 0 HG21 VAL A 12 85.800 0.230 3.670 1.00 0.00 H new ATOM 0 HG22 VAL A 12 85.567 -1.142 4.779 1.00 0.00 H new ATOM 0 HG23 VAL A 12 84.696 -1.095 3.228 1.00 0.00 H new ATOM 496 N LEU A 13 80.823 0.473 5.004 1.00 0.00 N ATOM 497 CA LEU A 13 79.616 1.177 5.423 1.00 0.00 C ATOM 498 C LEU A 13 78.720 0.258 6.253 1.00 0.00 C ATOM 499 O LEU A 13 78.097 0.686 7.221 1.00 0.00 O ATOM 500 CB LEU A 13 78.853 1.674 4.190 1.00 0.00 C ATOM 501 CG LEU A 13 77.593 2.490 4.480 1.00 0.00 C ATOM 502 CD1 LEU A 13 77.952 3.810 5.143 1.00 0.00 C ATOM 503 CD2 LEU A 13 76.811 2.731 3.199 1.00 0.00 C ATOM 0 H LEU A 13 80.919 0.378 3.993 1.00 0.00 H new ATOM 0 HA LEU A 13 79.904 2.029 6.039 1.00 0.00 H new ATOM 0 HB2 LEU A 13 79.528 2.282 3.588 1.00 0.00 H new ATOM 0 HB3 LEU A 13 78.575 0.811 3.584 1.00 0.00 H new ATOM 0 HG LEU A 13 76.965 1.922 5.166 1.00 0.00 H new ATOM 0 HD11 LEU A 13 77.042 4.377 5.342 1.00 0.00 H new ATOM 0 HD12 LEU A 13 78.471 3.616 6.082 1.00 0.00 H new ATOM 0 HD13 LEU A 13 78.600 4.385 4.482 1.00 0.00 H new ATOM 0 HD21 LEU A 13 75.917 3.313 3.423 1.00 0.00 H new ATOM 0 HD22 LEU A 13 77.433 3.278 2.491 1.00 0.00 H new ATOM 0 HD23 LEU A 13 76.522 1.774 2.764 1.00 0.00 H new ATOM 515 N LYS A 14 78.675 -1.009 5.862 1.00 0.00 N ATOM 516 CA LYS A 14 77.868 -2.012 6.544 1.00 0.00 C ATOM 517 C LYS A 14 78.369 -2.220 7.969 1.00 0.00 C ATOM 518 O LYS A 14 77.578 -2.369 8.903 1.00 0.00 O ATOM 519 CB LYS A 14 77.922 -3.324 5.760 1.00 0.00 C ATOM 520 CG LYS A 14 76.857 -4.333 6.144 1.00 0.00 C ATOM 521 CD LYS A 14 76.846 -5.495 5.165 1.00 0.00 C ATOM 522 CE LYS A 14 75.680 -6.432 5.419 1.00 0.00 C ATOM 523 NZ LYS A 14 75.580 -7.475 4.367 1.00 0.00 N ATOM 0 H LYS A 14 79.197 -1.370 5.063 1.00 0.00 H new ATOM 0 HA LYS A 14 76.835 -1.668 6.596 1.00 0.00 H new ATOM 0 HB2 LYS A 14 77.826 -3.101 4.697 1.00 0.00 H new ATOM 0 HB3 LYS A 14 78.903 -3.778 5.904 1.00 0.00 H new ATOM 0 HG2 LYS A 14 77.044 -4.702 7.153 1.00 0.00 H new ATOM 0 HG3 LYS A 14 75.879 -3.851 6.157 1.00 0.00 H new ATOM 0 HD2 LYS A 14 76.790 -5.112 4.146 1.00 0.00 H new ATOM 0 HD3 LYS A 14 77.782 -6.048 5.246 1.00 0.00 H new ATOM 0 HE2 LYS A 14 75.799 -6.907 6.393 1.00 0.00 H new ATOM 0 HE3 LYS A 14 74.753 -5.860 5.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 74.773 -8.098 4.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 75.442 -7.022 3.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 76.455 -8.037 4.351 1.00 0.00 H new ATOM 537 N ALA A 15 79.689 -2.214 8.129 1.00 0.00 N ATOM 538 CA ALA A 15 80.300 -2.344 9.446 1.00 0.00 C ATOM 539 C ALA A 15 79.980 -1.128 10.306 1.00 0.00 C ATOM 540 O ALA A 15 79.666 -1.256 11.490 1.00 0.00 O ATOM 541 CB ALA A 15 81.806 -2.528 9.318 1.00 0.00 C ATOM 0 H ALA A 15 80.355 -2.120 7.362 1.00 0.00 H new ATOM 0 HA ALA A 15 79.886 -3.227 9.933 1.00 0.00 H new ATOM 0 HB1 ALA A 15 82.247 -2.623 10.310 1.00 0.00 H new ATOM 0 HB2 ALA A 15 82.015 -3.428 8.740 1.00 0.00 H new ATOM 0 HB3 ALA A 15 82.236 -1.664 8.812 1.00 0.00 H new ATOM 547 N ALA A 16 80.036 0.051 9.696 1.00 0.00 N ATOM 548 CA ALA A 16 79.714 1.292 10.390 1.00 0.00 C ATOM 549 C ALA A 16 78.213 1.392 10.655 1.00 0.00 C ATOM 550 O ALA A 16 77.762 2.215 11.451 1.00 0.00 O ATOM 551 CB ALA A 16 80.189 2.487 9.579 1.00 0.00 C ATOM 0 H ALA A 16 80.302 0.173 8.719 1.00 0.00 H new ATOM 0 HA ALA A 16 80.230 1.292 11.350 1.00 0.00 H new ATOM 0 HB1 ALA A 16 79.942 3.407 10.108 1.00 0.00 H new ATOM 0 HB2 ALA A 16 81.268 2.427 9.440 1.00 0.00 H new ATOM 0 HB3 ALA A 16 79.697 2.485 8.606 1.00 0.00 H new ATOM 557 N LYS A 17 77.449 0.556 9.964 1.00 0.00 N ATOM 558 CA LYS A 17 76.008 0.487 10.150 1.00 0.00 C ATOM 559 C LYS A 17 75.675 -0.393 11.351 1.00 0.00 C ATOM 560 O LYS A 17 74.662 -0.190 12.019 1.00 0.00 O ATOM 561 CB LYS A 17 75.345 -0.066 8.885 1.00 0.00 C ATOM 562 CG LYS A 17 73.830 -0.162 8.965 1.00 0.00 C ATOM 563 CD LYS A 17 73.247 -0.756 7.693 1.00 0.00 C ATOM 564 CE LYS A 17 71.736 -0.885 7.774 1.00 0.00 C ATOM 565 NZ LYS A 17 71.163 -1.450 6.523 1.00 0.00 N ATOM 0 H LYS A 17 77.810 -0.090 9.262 1.00 0.00 H new ATOM 0 HA LYS A 17 75.625 1.490 10.338 1.00 0.00 H new ATOM 0 HB2 LYS A 17 75.613 0.569 8.041 1.00 0.00 H new ATOM 0 HB3 LYS A 17 75.750 -1.057 8.680 1.00 0.00 H new ATOM 0 HG2 LYS A 17 73.547 -0.777 9.819 1.00 0.00 H new ATOM 0 HG3 LYS A 17 73.409 0.829 9.132 1.00 0.00 H new ATOM 0 HD2 LYS A 17 73.513 -0.128 6.843 1.00 0.00 H new ATOM 0 HD3 LYS A 17 73.687 -1.737 7.515 1.00 0.00 H new ATOM 0 HE2 LYS A 17 71.470 -1.523 8.617 1.00 0.00 H new ATOM 0 HE3 LYS A 17 71.297 0.094 7.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 70.130 -1.523 6.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 71.395 -0.828 5.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 71.563 -2.395 6.354 1.00 0.00 H new ATOM 579 N GLN A 18 76.540 -1.369 11.619 1.00 0.00 N ATOM 580 CA GLN A 18 76.357 -2.262 12.758 1.00 0.00 C ATOM 581 C GLN A 18 76.371 -1.476 14.064 1.00 0.00 C ATOM 582 O GLN A 18 75.488 -1.637 14.909 1.00 0.00 O ATOM 583 CB GLN A 18 77.445 -3.337 12.781 1.00 0.00 C ATOM 584 CG GLN A 18 77.437 -4.237 11.556 1.00 0.00 C ATOM 585 CD GLN A 18 78.481 -5.333 11.626 1.00 0.00 C ATOM 586 OE1 GLN A 18 79.541 -5.165 12.227 1.00 0.00 O ATOM 587 NE2 GLN A 18 78.186 -6.466 11.003 1.00 0.00 N ATOM 0 H GLN A 18 77.373 -1.560 11.063 1.00 0.00 H new ATOM 0 HA GLN A 18 75.387 -2.749 12.654 1.00 0.00 H new ATOM 0 HB2 GLN A 18 78.419 -2.855 12.861 1.00 0.00 H new ATOM 0 HB3 GLN A 18 77.319 -3.950 13.673 1.00 0.00 H new ATOM 0 HG2 GLN A 18 76.450 -4.688 11.448 1.00 0.00 H new ATOM 0 HG3 GLN A 18 77.610 -3.633 10.666 1.00 0.00 H new ATOM 0 HE21 GLN A 18 77.295 -6.563 10.516 1.00 0.00 H new ATOM 0 HE22 GLN A 18 78.850 -7.240 11.011 1.00 0.00 H new ATOM 596 N GLY A 19 77.368 -0.620 14.224 1.00 0.00 N ATOM 597 CA GLY A 19 77.434 0.212 15.404 1.00 0.00 C ATOM 598 C GLY A 19 78.843 0.362 15.929 1.00 0.00 C ATOM 599 O GLY A 19 79.738 -0.395 15.550 1.00 0.00 O ATOM 0 H GLY A 19 78.130 -0.487 13.559 1.00 0.00 H new ATOM 0 HA2 GLY A 19 77.029 1.197 15.173 1.00 0.00 H new ATOM 0 HA3 GLY A 19 76.803 -0.217 16.183 1.00 0.00 H new ATOM 603 N GLY A 20 79.039 1.351 16.792 1.00 0.00 N ATOM 604 CA GLY A 20 80.343 1.600 17.374 1.00 0.00 C ATOM 605 C GLY A 20 81.270 2.323 16.421 1.00 0.00 C ATOM 606 O GLY A 20 81.745 3.417 16.711 1.00 0.00 O ATOM 0 H GLY A 20 78.308 1.992 17.102 1.00 0.00 H new ATOM 0 HA2 GLY A 20 80.226 2.192 18.282 1.00 0.00 H new ATOM 0 HA3 GLY A 20 80.794 0.652 17.667 1.00 0.00 H new ATOM 610 N THR A 21 81.488 1.722 15.265 1.00 0.00 N ATOM 611 CA THR A 21 82.412 2.245 14.275 1.00 0.00 C ATOM 612 C THR A 21 81.739 3.284 13.376 1.00 0.00 C ATOM 613 O THR A 21 82.265 3.641 12.321 1.00 0.00 O ATOM 614 CB THR A 21 82.958 1.094 13.416 1.00 0.00 C ATOM 615 OG1 THR A 21 81.869 0.314 12.908 1.00 0.00 O ATOM 616 CG2 THR A 21 83.880 0.203 14.232 1.00 0.00 C ATOM 0 H THR A 21 81.028 0.855 14.986 1.00 0.00 H new ATOM 0 HA THR A 21 83.231 2.734 14.803 1.00 0.00 H new ATOM 0 HB THR A 21 83.526 1.520 12.589 1.00 0.00 H new ATOM 0 HG1 THR A 21 82.219 -0.418 12.359 1.00 0.00 H new ATOM 0 HG21 THR A 21 84.255 -0.605 13.604 1.00 0.00 H new ATOM 0 HG22 THR A 21 84.718 0.791 14.605 1.00 0.00 H new ATOM 0 HG23 THR A 21 83.329 -0.217 15.073 1.00 0.00 H new ATOM 624 N GLU A 22 80.585 3.775 13.820 1.00 0.00 N ATOM 625 CA GLU A 22 79.790 4.732 13.054 1.00 0.00 C ATOM 626 C GLU A 22 80.595 5.989 12.744 1.00 0.00 C ATOM 627 O GLU A 22 80.908 6.273 11.586 1.00 0.00 O ATOM 628 CB GLU A 22 78.537 5.115 13.841 1.00 0.00 C ATOM 629 CG GLU A 22 77.697 3.928 14.279 1.00 0.00 C ATOM 630 CD GLU A 22 76.565 4.335 15.196 1.00 0.00 C ATOM 631 OE1 GLU A 22 75.489 4.712 14.693 1.00 0.00 O ATOM 632 OE2 GLU A 22 76.751 4.284 16.432 1.00 0.00 O ATOM 0 H GLU A 22 80.175 3.522 14.719 1.00 0.00 H new ATOM 0 HA GLU A 22 79.506 4.259 12.114 1.00 0.00 H new ATOM 0 HB2 GLU A 22 78.834 5.683 14.723 1.00 0.00 H new ATOM 0 HB3 GLU A 22 77.923 5.775 13.228 1.00 0.00 H new ATOM 0 HG2 GLU A 22 77.289 3.430 13.400 1.00 0.00 H new ATOM 0 HG3 GLU A 22 78.333 3.204 14.789 1.00 0.00 H new ATOM 639 N GLY A 23 80.940 6.728 13.788 1.00 0.00 N ATOM 640 CA GLY A 23 81.685 7.957 13.618 1.00 0.00 C ATOM 641 C GLY A 23 83.176 7.736 13.733 1.00 0.00 C ATOM 642 O GLY A 23 83.900 8.571 14.274 1.00 0.00 O ATOM 0 H GLY A 23 80.715 6.496 14.755 1.00 0.00 H new ATOM 0 HA2 GLY A 23 81.456 8.388 12.643 1.00 0.00 H new ATOM 0 HA3 GLY A 23 81.367 8.681 14.369 1.00 0.00 H new ATOM 646 N MET A 24 83.637 6.602 13.234 1.00 0.00 N ATOM 647 CA MET A 24 85.051 6.278 13.263 1.00 0.00 C ATOM 648 C MET A 24 85.618 6.315 11.853 1.00 0.00 C ATOM 649 O MET A 24 84.886 6.147 10.875 1.00 0.00 O ATOM 650 CB MET A 24 85.287 4.904 13.896 1.00 0.00 C ATOM 651 CG MET A 24 84.807 4.804 15.338 1.00 0.00 C ATOM 652 SD MET A 24 85.164 3.201 16.085 1.00 0.00 S ATOM 653 CE MET A 24 86.953 3.239 16.144 1.00 0.00 C ATOM 0 H MET A 24 83.049 5.889 12.803 1.00 0.00 H new ATOM 0 HA MET A 24 85.563 7.021 13.874 1.00 0.00 H new ATOM 0 HB2 MET A 24 84.778 4.147 13.300 1.00 0.00 H new ATOM 0 HB3 MET A 24 86.352 4.675 13.860 1.00 0.00 H new ATOM 0 HG2 MET A 24 85.280 5.588 15.929 1.00 0.00 H new ATOM 0 HG3 MET A 24 83.732 4.984 15.372 1.00 0.00 H new ATOM 0 HE1 MET A 24 87.356 2.501 15.450 1.00 0.00 H new ATOM 0 HE2 MET A 24 87.305 4.232 15.863 1.00 0.00 H new ATOM 0 HE3 MET A 24 87.289 3.007 17.155 1.00 0.00 H new ATOM 663 N CYS A 25 86.915 6.538 11.749 1.00 0.00 N ATOM 664 CA CYS A 25 87.564 6.638 10.456 1.00 0.00 C ATOM 665 C CYS A 25 88.265 5.328 10.133 1.00 0.00 C ATOM 666 O CYS A 25 88.817 4.680 11.023 1.00 0.00 O ATOM 667 CB CYS A 25 88.561 7.799 10.466 1.00 0.00 C ATOM 668 SG CYS A 25 89.243 8.216 8.847 1.00 0.00 S ATOM 0 H CYS A 25 87.540 6.653 12.546 1.00 0.00 H new ATOM 0 HA CYS A 25 86.817 6.831 9.686 1.00 0.00 H new ATOM 0 HB2 CYS A 25 88.068 8.680 10.876 1.00 0.00 H new ATOM 0 HB3 CYS A 25 89.382 7.550 11.139 1.00 0.00 H new ATOM 0 HG CYS A 25 88.784 7.388 7.956 1.00 0.00 H new ATOM 674 N LEU A 26 88.229 4.926 8.870 1.00 0.00 N ATOM 675 CA LEU A 26 88.834 3.670 8.462 1.00 0.00 C ATOM 676 C LEU A 26 90.347 3.819 8.380 1.00 0.00 C ATOM 677 O LEU A 26 90.859 4.702 7.693 1.00 0.00 O ATOM 678 CB LEU A 26 88.278 3.209 7.116 1.00 0.00 C ATOM 679 CG LEU A 26 88.684 1.791 6.709 1.00 0.00 C ATOM 680 CD1 LEU A 26 88.071 0.775 7.659 1.00 0.00 C ATOM 681 CD2 LEU A 26 88.272 1.504 5.274 1.00 0.00 C ATOM 0 H LEU A 26 87.789 5.451 8.114 1.00 0.00 H new ATOM 0 HA LEU A 26 88.590 2.915 9.209 1.00 0.00 H new ATOM 0 HB2 LEU A 26 87.190 3.266 7.149 1.00 0.00 H new ATOM 0 HB3 LEU A 26 88.610 3.903 6.344 1.00 0.00 H new ATOM 0 HG LEU A 26 89.769 1.711 6.770 1.00 0.00 H new ATOM 0 HD11 LEU A 26 88.368 -0.230 7.358 1.00 0.00 H new ATOM 0 HD12 LEU A 26 88.420 0.968 8.673 1.00 0.00 H new ATOM 0 HD13 LEU A 26 86.985 0.857 7.628 1.00 0.00 H new ATOM 0 HD21 LEU A 26 88.570 0.491 5.006 1.00 0.00 H new ATOM 0 HD22 LEU A 26 87.190 1.601 5.180 1.00 0.00 H new ATOM 0 HD23 LEU A 26 88.759 2.215 4.606 1.00 0.00 H new ATOM 693 N ARG A 27 91.055 2.955 9.082 1.00 0.00 N ATOM 694 CA ARG A 27 92.502 3.027 9.150 1.00 0.00 C ATOM 695 C ARG A 27 93.116 1.728 8.643 1.00 0.00 C ATOM 696 O ARG A 27 92.546 0.649 8.821 1.00 0.00 O ATOM 697 CB ARG A 27 92.924 3.296 10.594 1.00 0.00 C ATOM 698 CG ARG A 27 94.407 3.554 10.778 1.00 0.00 C ATOM 699 CD ARG A 27 94.721 3.857 12.231 1.00 0.00 C ATOM 700 NE ARG A 27 96.134 4.134 12.449 1.00 0.00 N ATOM 701 CZ ARG A 27 96.826 3.656 13.480 1.00 0.00 C ATOM 702 NH1 ARG A 27 96.236 2.848 14.356 1.00 0.00 N ATOM 703 NH2 ARG A 27 98.101 3.983 13.638 1.00 0.00 N ATOM 0 H ARG A 27 90.647 2.189 9.618 1.00 0.00 H new ATOM 0 HA ARG A 27 92.859 3.840 8.517 1.00 0.00 H new ATOM 0 HB2 ARG A 27 92.369 4.157 10.967 1.00 0.00 H new ATOM 0 HB3 ARG A 27 92.638 2.442 11.208 1.00 0.00 H new ATOM 0 HG2 ARG A 27 94.976 2.684 10.451 1.00 0.00 H new ATOM 0 HG3 ARG A 27 94.716 4.391 10.152 1.00 0.00 H new ATOM 0 HD2 ARG A 27 94.131 4.714 12.556 1.00 0.00 H new ATOM 0 HD3 ARG A 27 94.420 3.011 12.849 1.00 0.00 H new ATOM 0 HE ARG A 27 96.619 4.726 11.775 1.00 0.00 H new ATOM 0 HH11 ARG A 27 95.255 2.596 14.237 1.00 0.00 H new ATOM 0 HH12 ARG A 27 96.765 2.480 15.147 1.00 0.00 H new ATOM 0 HH21 ARG A 27 98.555 4.603 12.968 1.00 0.00 H new ATOM 0 HH22 ARG A 27 98.628 3.614 14.430 1.00 0.00 H new ATOM 717 N LEU A 28 94.266 1.834 7.998 1.00 0.00 N ATOM 718 CA LEU A 28 94.951 0.661 7.485 1.00 0.00 C ATOM 719 C LEU A 28 96.240 0.410 8.252 1.00 0.00 C ATOM 720 O LEU A 28 96.981 1.341 8.571 1.00 0.00 O ATOM 721 CB LEU A 28 95.255 0.817 5.995 1.00 0.00 C ATOM 722 CG LEU A 28 94.032 0.927 5.083 1.00 0.00 C ATOM 723 CD1 LEU A 28 94.467 1.036 3.632 1.00 0.00 C ATOM 724 CD2 LEU A 28 93.108 -0.269 5.274 1.00 0.00 C ATOM 0 H LEU A 28 94.743 2.717 7.818 1.00 0.00 H new ATOM 0 HA LEU A 28 94.290 -0.195 7.620 1.00 0.00 H new ATOM 0 HB2 LEU A 28 95.870 1.707 5.858 1.00 0.00 H new ATOM 0 HB3 LEU A 28 95.852 -0.036 5.672 1.00 0.00 H new ATOM 0 HG LEU A 28 93.481 1.829 5.351 1.00 0.00 H new ATOM 0 HD11 LEU A 28 93.587 1.114 2.993 1.00 0.00 H new ATOM 0 HD12 LEU A 28 95.088 1.923 3.504 1.00 0.00 H new ATOM 0 HD13 LEU A 28 95.039 0.150 3.356 1.00 0.00 H new ATOM 0 HD21 LEU A 28 92.245 -0.171 4.616 1.00 0.00 H new ATOM 0 HD22 LEU A 28 93.645 -1.186 5.033 1.00 0.00 H new ATOM 0 HD23 LEU A 28 92.772 -0.307 6.310 1.00 0.00 H new ATOM 736 N ALA A 29 96.493 -0.852 8.550 1.00 0.00 N ATOM 737 CA ALA A 29 97.707 -1.249 9.238 1.00 0.00 C ATOM 738 C ALA A 29 98.586 -2.078 8.313 1.00 0.00 C ATOM 739 O ALA A 29 98.147 -3.095 7.771 1.00 0.00 O ATOM 740 CB ALA A 29 97.374 -2.029 10.500 1.00 0.00 C ATOM 0 H ALA A 29 95.867 -1.625 8.324 1.00 0.00 H new ATOM 0 HA ALA A 29 98.254 -0.352 9.527 1.00 0.00 H new ATOM 0 HB1 ALA A 29 98.297 -2.319 11.003 1.00 0.00 H new ATOM 0 HB2 ALA A 29 96.778 -1.406 11.166 1.00 0.00 H new ATOM 0 HB3 ALA A 29 96.808 -2.923 10.237 1.00 0.00 H new ATOM 746 N ALA A 30 99.815 -1.631 8.118 1.00 0.00 N ATOM 747 CA ALA A 30 100.750 -2.333 7.257 1.00 0.00 C ATOM 748 C ALA A 30 101.701 -3.185 8.082 1.00 0.00 C ATOM 749 O ALA A 30 102.525 -2.662 8.831 1.00 0.00 O ATOM 750 CB ALA A 30 101.528 -1.345 6.401 1.00 0.00 C ATOM 0 H ALA A 30 100.189 -0.784 8.545 1.00 0.00 H new ATOM 0 HA ALA A 30 100.183 -2.991 6.598 1.00 0.00 H new ATOM 0 HB1 ALA A 30 102.224 -1.887 5.761 1.00 0.00 H new ATOM 0 HB2 ALA A 30 100.835 -0.775 5.782 1.00 0.00 H new ATOM 0 HB3 ALA A 30 102.083 -0.663 7.046 1.00 0.00 H new ATOM 756 N GLY A 31 101.564 -4.494 7.964 1.00 0.00 N ATOM 757 CA GLY A 31 102.455 -5.399 8.658 1.00 0.00 C ATOM 758 C GLY A 31 103.343 -6.145 7.689 1.00 0.00 C ATOM 759 O GLY A 31 103.050 -7.281 7.312 1.00 0.00 O ATOM 0 H GLY A 31 100.848 -4.949 7.397 1.00 0.00 H new ATOM 0 HA2 GLY A 31 103.071 -4.838 9.361 1.00 0.00 H new ATOM 0 HA3 GLY A 31 101.872 -6.111 9.242 1.00 0.00 H new ATOM 763 N ARG A 32 104.422 -5.507 7.270 1.00 0.00 N ATOM 764 CA ARG A 32 105.296 -6.087 6.267 1.00 0.00 C ATOM 765 C ARG A 32 106.247 -7.096 6.886 1.00 0.00 C ATOM 766 O ARG A 32 106.921 -6.806 7.875 1.00 0.00 O ATOM 767 CB ARG A 32 106.103 -5.005 5.554 1.00 0.00 C ATOM 768 CG ARG A 32 107.010 -5.563 4.470 1.00 0.00 C ATOM 769 CD ARG A 32 107.821 -4.477 3.794 1.00 0.00 C ATOM 770 NE ARG A 32 108.579 -5.004 2.663 1.00 0.00 N ATOM 771 CZ ARG A 32 109.758 -4.533 2.270 1.00 0.00 C ATOM 772 NH1 ARG A 32 110.333 -3.539 2.936 1.00 0.00 N ATOM 773 NH2 ARG A 32 110.367 -5.063 1.217 1.00 0.00 N ATOM 0 H ARG A 32 104.713 -4.590 7.608 1.00 0.00 H new ATOM 0 HA ARG A 32 104.662 -6.597 5.542 1.00 0.00 H new ATOM 0 HB2 ARG A 32 105.419 -4.281 5.111 1.00 0.00 H new ATOM 0 HB3 ARG A 32 106.707 -4.468 6.285 1.00 0.00 H new ATOM 0 HG2 ARG A 32 107.684 -6.301 4.905 1.00 0.00 H new ATOM 0 HG3 ARG A 32 106.407 -6.082 3.725 1.00 0.00 H new ATOM 0 HD2 ARG A 32 107.156 -3.685 3.451 1.00 0.00 H new ATOM 0 HD3 ARG A 32 108.505 -4.029 4.515 1.00 0.00 H new ATOM 0 HE ARG A 32 108.178 -5.783 2.141 1.00 0.00 H new ATOM 0 HH11 ARG A 32 109.870 -3.136 3.750 1.00 0.00 H new ATOM 0 HH12 ARG A 32 111.238 -3.179 2.633 1.00 0.00 H new ATOM 0 HH21 ARG A 32 109.930 -5.832 0.709 1.00 0.00 H new ATOM 0 HH22 ARG A 32 111.272 -4.701 0.916 1.00 0.00 H new ATOM 787 N ASN A 33 106.294 -8.277 6.298 1.00 0.00 N ATOM 788 CA ASN A 33 107.255 -9.292 6.693 1.00 0.00 C ATOM 789 C ASN A 33 108.624 -8.904 6.153 1.00 0.00 C ATOM 790 O ASN A 33 108.726 -8.437 5.018 1.00 0.00 O ATOM 791 CB ASN A 33 106.836 -10.659 6.143 1.00 0.00 C ATOM 792 CG ASN A 33 105.444 -11.064 6.590 1.00 0.00 C ATOM 793 OD1 ASN A 33 105.020 -10.752 7.702 1.00 0.00 O ATOM 794 ND2 ASN A 33 104.716 -11.744 5.718 1.00 0.00 N ATOM 0 H ASN A 33 105.673 -8.559 5.539 1.00 0.00 H new ATOM 0 HA ASN A 33 107.294 -9.360 7.780 1.00 0.00 H new ATOM 0 HB2 ASN A 33 106.872 -10.635 5.054 1.00 0.00 H new ATOM 0 HB3 ASN A 33 107.552 -11.413 6.469 1.00 0.00 H new ATOM 0 HD21 ASN A 33 103.766 -12.029 5.958 1.00 0.00 H new ATOM 0 HD22 ASN A 33 105.105 -11.983 4.806 1.00 0.00 H new ATOM 834 N SER A 37 106.602 -10.257 2.165 1.00 0.00 N ATOM 835 CA SER A 37 105.294 -9.764 1.761 1.00 0.00 C ATOM 836 C SER A 37 104.720 -8.826 2.816 1.00 0.00 C ATOM 837 O SER A 37 104.924 -9.023 4.015 1.00 0.00 O ATOM 838 CB SER A 37 104.338 -10.935 1.509 1.00 0.00 C ATOM 839 OG SER A 37 104.352 -11.857 2.591 1.00 0.00 O ATOM 0 HA SER A 37 105.411 -9.203 0.834 1.00 0.00 H new ATOM 0 HB2 SER A 37 103.326 -10.556 1.365 1.00 0.00 H new ATOM 0 HB3 SER A 37 104.621 -11.447 0.589 1.00 0.00 H new ATOM 0 HG SER A 37 105.279 -12.057 2.838 1.00 0.00 H new ATOM 845 N ILE A 38 104.026 -7.793 2.367 1.00 0.00 N ATOM 846 CA ILE A 38 103.367 -6.866 3.273 1.00 0.00 C ATOM 847 C ILE A 38 101.971 -7.378 3.600 1.00 0.00 C ATOM 848 O ILE A 38 101.123 -7.483 2.715 1.00 0.00 O ATOM 849 CB ILE A 38 103.242 -5.453 2.657 1.00 0.00 C ATOM 850 CG1 ILE A 38 104.570 -5.011 2.034 1.00 0.00 C ATOM 851 CG2 ILE A 38 102.802 -4.456 3.722 1.00 0.00 C ATOM 852 CD1 ILE A 38 104.496 -3.681 1.315 1.00 0.00 C ATOM 0 H ILE A 38 103.904 -7.575 1.378 1.00 0.00 H new ATOM 0 HA ILE A 38 103.976 -6.799 4.175 1.00 0.00 H new ATOM 0 HB ILE A 38 102.490 -5.486 1.869 1.00 0.00 H new ATOM 0 HG12 ILE A 38 105.325 -4.948 2.818 1.00 0.00 H new ATOM 0 HG13 ILE A 38 104.903 -5.775 1.331 1.00 0.00 H new ATOM 0 HG21 ILE A 38 102.717 -3.464 3.279 1.00 0.00 H new ATOM 0 HG22 ILE A 38 101.835 -4.757 4.125 1.00 0.00 H new ATOM 0 HG23 ILE A 38 103.539 -4.432 4.525 1.00 0.00 H new ATOM 0 HD11 ILE A 38 105.474 -3.436 0.901 1.00 0.00 H new ATOM 0 HD12 ILE A 38 103.766 -3.744 0.508 1.00 0.00 H new ATOM 0 HD13 ILE A 38 104.195 -2.904 2.017 1.00 0.00 H new ATOM 864 N ASP A 39 101.730 -7.713 4.856 1.00 0.00 N ATOM 865 CA ASP A 39 100.416 -8.190 5.257 1.00 0.00 C ATOM 866 C ASP A 39 99.555 -7.012 5.685 1.00 0.00 C ATOM 867 O ASP A 39 99.913 -6.268 6.601 1.00 0.00 O ATOM 868 CB ASP A 39 100.516 -9.214 6.386 1.00 0.00 C ATOM 869 CG ASP A 39 99.199 -9.929 6.624 1.00 0.00 C ATOM 870 OD1 ASP A 39 98.907 -10.903 5.892 1.00 0.00 O ATOM 871 OD2 ASP A 39 98.448 -9.518 7.530 1.00 0.00 O ATOM 0 H ASP A 39 102.417 -7.665 5.608 1.00 0.00 H new ATOM 0 HA ASP A 39 99.954 -8.686 4.403 1.00 0.00 H new ATOM 0 HB2 ASP A 39 101.287 -9.946 6.144 1.00 0.00 H new ATOM 0 HB3 ASP A 39 100.827 -8.713 7.303 1.00 0.00 H new ATOM 876 N TYR A 40 98.430 -6.837 5.015 1.00 0.00 N ATOM 877 CA TYR A 40 97.595 -5.660 5.217 1.00 0.00 C ATOM 878 C TYR A 40 96.430 -5.966 6.150 1.00 0.00 C ATOM 879 O TYR A 40 95.808 -7.028 6.056 1.00 0.00 O ATOM 880 CB TYR A 40 97.057 -5.153 3.876 1.00 0.00 C ATOM 881 CG TYR A 40 98.120 -4.944 2.822 1.00 0.00 C ATOM 882 CD1 TYR A 40 98.933 -3.819 2.839 1.00 0.00 C ATOM 883 CD2 TYR A 40 98.305 -5.872 1.806 1.00 0.00 C ATOM 884 CE1 TYR A 40 99.898 -3.622 1.870 1.00 0.00 C ATOM 885 CE2 TYR A 40 99.268 -5.684 0.835 1.00 0.00 C ATOM 886 CZ TYR A 40 100.064 -4.559 0.872 1.00 0.00 C ATOM 887 OH TYR A 40 101.022 -4.370 -0.094 1.00 0.00 O ATOM 0 H TYR A 40 98.070 -7.495 4.324 1.00 0.00 H new ATOM 0 HA TYR A 40 98.214 -4.888 5.675 1.00 0.00 H new ATOM 0 HB2 TYR A 40 96.322 -5.865 3.499 1.00 0.00 H new ATOM 0 HB3 TYR A 40 96.533 -4.211 4.040 1.00 0.00 H new ATOM 0 HD1 TYR A 40 98.809 -3.086 3.622 1.00 0.00 H new ATOM 0 HD2 TYR A 40 97.685 -6.756 1.775 1.00 0.00 H new ATOM 0 HE1 TYR A 40 100.519 -2.739 1.894 1.00 0.00 H new ATOM 0 HE2 TYR A 40 99.397 -6.415 0.050 1.00 0.00 H new ATOM 0 HH TYR A 40 101.008 -5.123 -0.721 1.00 0.00 H new ATOM 897 N ARG A 41 96.144 -5.034 7.050 1.00 0.00 N ATOM 898 CA ARG A 41 95.001 -5.152 7.945 1.00 0.00 C ATOM 899 C ARG A 41 94.145 -3.896 7.888 1.00 0.00 C ATOM 900 O ARG A 41 94.663 -2.787 7.738 1.00 0.00 O ATOM 901 CB ARG A 41 95.455 -5.411 9.384 1.00 0.00 C ATOM 902 CG ARG A 41 96.044 -6.794 9.592 1.00 0.00 C ATOM 903 CD ARG A 41 96.335 -7.070 11.056 1.00 0.00 C ATOM 904 NE ARG A 41 97.430 -6.253 11.572 1.00 0.00 N ATOM 905 CZ ARG A 41 97.877 -6.325 12.824 1.00 0.00 C ATOM 906 NH1 ARG A 41 97.323 -7.178 13.678 1.00 0.00 N ATOM 907 NH2 ARG A 41 98.885 -5.555 13.214 1.00 0.00 N ATOM 0 H ARG A 41 96.692 -4.183 7.179 1.00 0.00 H new ATOM 0 HA ARG A 41 94.404 -6.001 7.613 1.00 0.00 H new ATOM 0 HB2 ARG A 41 96.197 -4.663 9.663 1.00 0.00 H new ATOM 0 HB3 ARG A 41 94.605 -5.282 10.054 1.00 0.00 H new ATOM 0 HG2 ARG A 41 95.351 -7.545 9.212 1.00 0.00 H new ATOM 0 HG3 ARG A 41 96.964 -6.888 9.015 1.00 0.00 H new ATOM 0 HD2 ARG A 41 95.437 -6.881 11.644 1.00 0.00 H new ATOM 0 HD3 ARG A 41 96.582 -8.124 11.182 1.00 0.00 H new ATOM 0 HE ARG A 41 97.877 -5.591 10.938 1.00 0.00 H new ATOM 0 HH11 ARG A 41 96.556 -7.777 13.375 1.00 0.00 H new ATOM 0 HH12 ARG A 41 97.665 -7.234 14.637 1.00 0.00 H new ATOM 0 HH21 ARG A 41 99.317 -4.908 12.555 1.00 0.00 H new ATOM 0 HH22 ARG A 41 99.227 -5.610 14.173 1.00 0.00 H new ATOM 921 N MET A 42 92.838 -4.076 8.000 1.00 0.00 N ATOM 922 CA MET A 42 91.898 -2.963 7.950 1.00 0.00 C ATOM 923 C MET A 42 91.051 -2.908 9.219 1.00 0.00 C ATOM 924 O MET A 42 90.597 -3.943 9.716 1.00 0.00 O ATOM 925 CB MET A 42 90.991 -3.094 6.721 1.00 0.00 C ATOM 926 CG MET A 42 89.867 -2.071 6.676 1.00 0.00 C ATOM 927 SD MET A 42 88.695 -2.383 5.345 1.00 0.00 S ATOM 928 CE MET A 42 89.788 -2.361 3.930 1.00 0.00 C ATOM 0 H MET A 42 92.400 -4.988 8.127 1.00 0.00 H new ATOM 0 HA MET A 42 92.469 -2.037 7.877 1.00 0.00 H new ATOM 0 HB2 MET A 42 91.598 -2.993 5.821 1.00 0.00 H new ATOM 0 HB3 MET A 42 90.560 -4.095 6.704 1.00 0.00 H new ATOM 0 HG2 MET A 42 89.338 -2.077 7.629 1.00 0.00 H new ATOM 0 HG3 MET A 42 90.293 -1.075 6.554 1.00 0.00 H new ATOM 0 HE1 MET A 42 89.232 -2.645 3.036 1.00 0.00 H new ATOM 0 HE2 MET A 42 90.196 -1.358 3.801 1.00 0.00 H new ATOM 0 HE3 MET A 42 90.604 -3.066 4.089 1.00 0.00 H new ATOM 938 N GLY A 43 90.854 -1.708 9.744 1.00 0.00 N ATOM 939 CA GLY A 43 90.005 -1.533 10.905 1.00 0.00 C ATOM 940 C GLY A 43 89.665 -0.077 11.139 1.00 0.00 C ATOM 941 O GLY A 43 90.360 0.809 10.646 1.00 0.00 O ATOM 0 H GLY A 43 91.269 -0.848 9.385 1.00 0.00 H new ATOM 0 HA2 GLY A 43 89.086 -2.104 10.773 1.00 0.00 H new ATOM 0 HA3 GLY A 43 90.506 -1.935 11.786 1.00 0.00 H new ATOM 945 N PHE A 44 88.593 0.179 11.870 1.00 0.00 N ATOM 946 CA PHE A 44 88.215 1.544 12.205 1.00 0.00 C ATOM 947 C PHE A 44 89.047 2.054 13.371 1.00 0.00 C ATOM 948 O PHE A 44 89.352 1.306 14.304 1.00 0.00 O ATOM 949 CB PHE A 44 86.729 1.635 12.554 1.00 0.00 C ATOM 950 CG PHE A 44 85.812 1.534 11.369 1.00 0.00 C ATOM 951 CD1 PHE A 44 85.390 0.302 10.899 1.00 0.00 C ATOM 952 CD2 PHE A 44 85.362 2.680 10.733 1.00 0.00 C ATOM 953 CE1 PHE A 44 84.536 0.214 9.817 1.00 0.00 C ATOM 954 CE2 PHE A 44 84.509 2.599 9.651 1.00 0.00 C ATOM 955 CZ PHE A 44 84.094 1.365 9.193 1.00 0.00 C ATOM 0 H PHE A 44 87.970 -0.537 12.243 1.00 0.00 H new ATOM 0 HA PHE A 44 88.404 2.165 11.330 1.00 0.00 H new ATOM 0 HB2 PHE A 44 86.483 0.840 13.258 1.00 0.00 H new ATOM 0 HB3 PHE A 44 86.544 2.581 13.063 1.00 0.00 H new ATOM 0 HD1 PHE A 44 85.732 -0.600 11.384 1.00 0.00 H new ATOM 0 HD2 PHE A 44 85.683 3.648 11.088 1.00 0.00 H new ATOM 0 HE1 PHE A 44 84.214 -0.753 9.459 1.00 0.00 H new ATOM 0 HE2 PHE A 44 84.167 3.500 9.163 1.00 0.00 H new ATOM 0 HZ PHE A 44 83.425 1.299 8.348 1.00 0.00 H new ATOM 965 N ASP A 45 89.413 3.323 13.313 1.00 0.00 N ATOM 966 CA ASP A 45 90.217 3.938 14.358 1.00 0.00 C ATOM 967 C ASP A 45 89.751 5.378 14.576 1.00 0.00 C ATOM 968 O ASP A 45 88.708 5.781 14.053 1.00 0.00 O ATOM 969 CB ASP A 45 91.701 3.890 13.972 1.00 0.00 C ATOM 970 CG ASP A 45 92.627 4.084 15.157 1.00 0.00 C ATOM 971 OD1 ASP A 45 92.890 3.099 15.876 1.00 0.00 O ATOM 972 OD2 ASP A 45 93.095 5.217 15.371 1.00 0.00 O ATOM 0 H ASP A 45 89.165 3.952 12.549 1.00 0.00 H new ATOM 0 HA ASP A 45 90.093 3.388 15.291 1.00 0.00 H new ATOM 0 HB2 ASP A 45 91.918 2.931 13.502 1.00 0.00 H new ATOM 0 HB3 ASP A 45 91.903 4.662 13.230 1.00 0.00 H new ATOM 977 N ASP A 46 90.516 6.147 15.333 1.00 0.00 N ATOM 978 CA ASP A 46 90.141 7.514 15.657 1.00 0.00 C ATOM 979 C ASP A 46 90.509 8.452 14.516 1.00 0.00 C ATOM 980 O ASP A 46 91.539 8.272 13.862 1.00 0.00 O ATOM 981 CB ASP A 46 90.826 7.960 16.950 1.00 0.00 C ATOM 982 CG ASP A 46 90.425 9.360 17.366 1.00 0.00 C ATOM 983 OD1 ASP A 46 89.275 9.541 17.827 1.00 0.00 O ATOM 984 OD2 ASP A 46 91.251 10.285 17.240 1.00 0.00 O ATOM 0 H ASP A 46 91.404 5.847 15.736 1.00 0.00 H new ATOM 0 HA ASP A 46 89.061 7.551 15.802 1.00 0.00 H new ATOM 0 HB2 ASP A 46 90.577 7.262 17.749 1.00 0.00 H new ATOM 0 HB3 ASP A 46 91.907 7.920 16.817 1.00 0.00 H new ATOM 989 N LEU A 47 89.656 9.434 14.268 1.00 0.00 N ATOM 990 CA LEU A 47 89.893 10.410 13.219 1.00 0.00 C ATOM 991 C LEU A 47 91.051 11.326 13.616 1.00 0.00 C ATOM 992 O LEU A 47 90.889 12.246 14.420 1.00 0.00 O ATOM 993 CB LEU A 47 88.611 11.220 12.960 1.00 0.00 C ATOM 994 CG LEU A 47 88.522 11.936 11.605 1.00 0.00 C ATOM 995 CD1 LEU A 47 87.102 12.423 11.364 1.00 0.00 C ATOM 996 CD2 LEU A 47 89.491 13.109 11.531 1.00 0.00 C ATOM 0 H LEU A 47 88.788 9.575 14.784 1.00 0.00 H new ATOM 0 HA LEU A 47 90.164 9.896 12.297 1.00 0.00 H new ATOM 0 HB2 LEU A 47 87.758 10.548 13.049 1.00 0.00 H new ATOM 0 HB3 LEU A 47 88.512 11.966 13.749 1.00 0.00 H new ATOM 0 HG LEU A 47 88.797 11.220 10.830 1.00 0.00 H new ATOM 0 HD11 LEU A 47 87.050 12.929 10.400 1.00 0.00 H new ATOM 0 HD12 LEU A 47 86.421 11.572 11.364 1.00 0.00 H new ATOM 0 HD13 LEU A 47 86.816 13.117 12.155 1.00 0.00 H new ATOM 0 HD21 LEU A 47 89.402 13.594 10.559 1.00 0.00 H new ATOM 0 HD22 LEU A 47 89.255 13.826 12.317 1.00 0.00 H new ATOM 0 HD23 LEU A 47 90.511 12.748 11.664 1.00 0.00 H new ATOM 1008 N THR A 48 92.221 11.050 13.070 1.00 0.00 N ATOM 1009 CA THR A 48 93.398 11.848 13.350 1.00 0.00 C ATOM 1010 C THR A 48 93.658 12.823 12.204 1.00 0.00 C ATOM 1011 O THR A 48 93.682 12.429 11.040 1.00 0.00 O ATOM 1012 CB THR A 48 94.632 10.947 13.567 1.00 0.00 C ATOM 1013 OG1 THR A 48 94.325 9.921 14.522 1.00 0.00 O ATOM 1014 CG2 THR A 48 95.820 11.757 14.066 1.00 0.00 C ATOM 0 H THR A 48 92.381 10.275 12.427 1.00 0.00 H new ATOM 0 HA THR A 48 93.218 12.413 14.265 1.00 0.00 H new ATOM 0 HB THR A 48 94.894 10.497 12.609 1.00 0.00 H new ATOM 0 HG1 THR A 48 95.111 9.351 14.654 1.00 0.00 H new ATOM 0 HG21 THR A 48 96.675 11.097 14.210 1.00 0.00 H new ATOM 0 HG22 THR A 48 96.072 12.523 13.332 1.00 0.00 H new ATOM 0 HG23 THR A 48 95.564 12.232 15.013 1.00 0.00 H new ATOM 1022 N GLU A 49 93.836 14.097 12.535 1.00 0.00 N ATOM 1023 CA GLU A 49 94.057 15.124 11.524 1.00 0.00 C ATOM 1024 C GLU A 49 95.540 15.244 11.203 1.00 0.00 C ATOM 1025 O GLU A 49 95.926 15.741 10.144 1.00 0.00 O ATOM 1026 CB GLU A 49 93.502 16.462 12.004 1.00 0.00 C ATOM 1027 CG GLU A 49 92.011 16.416 12.293 1.00 0.00 C ATOM 1028 CD GLU A 49 91.478 17.733 12.806 1.00 0.00 C ATOM 1029 OE1 GLU A 49 91.640 18.013 14.011 1.00 0.00 O ATOM 1030 OE2 GLU A 49 90.891 18.490 12.013 1.00 0.00 O ATOM 0 H GLU A 49 93.832 14.443 13.495 1.00 0.00 H new ATOM 0 HA GLU A 49 93.532 14.837 10.613 1.00 0.00 H new ATOM 0 HB2 GLU A 49 94.032 16.767 12.906 1.00 0.00 H new ATOM 0 HB3 GLU A 49 93.697 17.222 11.248 1.00 0.00 H new ATOM 0 HG2 GLU A 49 91.477 16.142 11.383 1.00 0.00 H new ATOM 0 HG3 GLU A 49 91.811 15.636 13.028 1.00 0.00 H new ATOM 1037 N ASP A 50 96.366 14.781 12.134 1.00 0.00 N ATOM 1038 CA ASP A 50 97.807 14.686 11.917 1.00 0.00 C ATOM 1039 C ASP A 50 98.129 13.410 11.161 1.00 0.00 C ATOM 1040 O ASP A 50 99.286 13.107 10.870 1.00 0.00 O ATOM 1041 CB ASP A 50 98.559 14.709 13.247 1.00 0.00 C ATOM 1042 CG ASP A 50 98.637 16.096 13.847 1.00 0.00 C ATOM 1043 OD1 ASP A 50 97.649 16.539 14.474 1.00 0.00 O ATOM 1044 OD2 ASP A 50 99.690 16.751 13.692 1.00 0.00 O ATOM 0 H ASP A 50 96.060 14.463 13.054 1.00 0.00 H new ATOM 0 HA ASP A 50 98.126 15.546 11.328 1.00 0.00 H new ATOM 0 HB2 ASP A 50 98.065 14.040 13.951 1.00 0.00 H new ATOM 0 HB3 ASP A 50 99.568 14.325 13.096 1.00 0.00 H new ATOM 1049 N ASP A 51 97.081 12.665 10.861 1.00 0.00 N ATOM 1050 CA ASP A 51 97.180 11.449 10.080 1.00 0.00 C ATOM 1051 C ASP A 51 96.760 11.777 8.651 1.00 0.00 C ATOM 1052 O ASP A 51 96.028 12.747 8.438 1.00 0.00 O ATOM 1053 CB ASP A 51 96.266 10.383 10.689 1.00 0.00 C ATOM 1054 CG ASP A 51 96.585 8.982 10.223 1.00 0.00 C ATOM 1055 OD1 ASP A 51 96.324 8.675 9.056 1.00 0.00 O ATOM 1056 OD2 ASP A 51 97.095 8.182 11.037 1.00 0.00 O ATOM 0 H ASP A 51 96.131 12.890 11.155 1.00 0.00 H new ATOM 0 HA ASP A 51 98.199 11.061 10.080 1.00 0.00 H new ATOM 0 HB2 ASP A 51 96.346 10.424 11.775 1.00 0.00 H new ATOM 0 HB3 ASP A 51 95.231 10.615 10.437 1.00 0.00 H new ATOM 1061 N ILE A 52 97.220 11.006 7.676 1.00 0.00 N ATOM 1062 CA ILE A 52 96.918 11.308 6.282 1.00 0.00 C ATOM 1063 C ILE A 52 95.471 10.946 5.962 1.00 0.00 C ATOM 1064 O ILE A 52 95.123 9.775 5.798 1.00 0.00 O ATOM 1065 CB ILE A 52 97.876 10.589 5.307 1.00 0.00 C ATOM 1066 CG1 ILE A 52 99.321 11.033 5.566 1.00 0.00 C ATOM 1067 CG2 ILE A 52 97.479 10.869 3.863 1.00 0.00 C ATOM 1068 CD1 ILE A 52 100.337 10.365 4.663 1.00 0.00 C ATOM 0 H ILE A 52 97.796 10.177 7.820 1.00 0.00 H new ATOM 0 HA ILE A 52 97.061 12.380 6.146 1.00 0.00 H new ATOM 0 HB ILE A 52 97.806 9.514 5.476 1.00 0.00 H new ATOM 0 HG12 ILE A 52 99.388 12.113 5.436 1.00 0.00 H new ATOM 0 HG13 ILE A 52 99.576 10.820 6.604 1.00 0.00 H new ATOM 0 HG21 ILE A 52 98.165 10.354 3.191 1.00 0.00 H new ATOM 0 HG22 ILE A 52 96.464 10.512 3.689 1.00 0.00 H new ATOM 0 HG23 ILE A 52 97.523 11.942 3.675 1.00 0.00 H new ATOM 0 HD11 ILE A 52 101.335 10.730 4.906 1.00 0.00 H new ATOM 0 HD12 ILE A 52 100.299 9.285 4.809 1.00 0.00 H new ATOM 0 HD13 ILE A 52 100.109 10.599 3.623 1.00 0.00 H new ATOM 1080 N ARG A 53 94.635 11.972 5.882 1.00 0.00 N ATOM 1081 CA ARG A 53 93.210 11.782 5.675 1.00 0.00 C ATOM 1082 C ARG A 53 92.888 11.636 4.192 1.00 0.00 C ATOM 1083 O ARG A 53 93.351 12.415 3.353 1.00 0.00 O ATOM 1084 CB ARG A 53 92.422 12.952 6.272 1.00 0.00 C ATOM 1085 CG ARG A 53 92.630 13.123 7.768 1.00 0.00 C ATOM 1086 CD ARG A 53 91.834 14.298 8.314 1.00 0.00 C ATOM 1087 NE ARG A 53 90.390 14.071 8.251 1.00 0.00 N ATOM 1088 CZ ARG A 53 89.477 15.041 8.306 1.00 0.00 C ATOM 1089 NH1 ARG A 53 89.849 16.316 8.348 1.00 0.00 N ATOM 1090 NH2 ARG A 53 88.190 14.729 8.293 1.00 0.00 N ATOM 0 H ARG A 53 94.923 12.948 5.958 1.00 0.00 H new ATOM 0 HA ARG A 53 92.916 10.863 6.182 1.00 0.00 H new ATOM 0 HB2 ARG A 53 92.713 13.872 5.765 1.00 0.00 H new ATOM 0 HB3 ARG A 53 91.360 12.802 6.076 1.00 0.00 H new ATOM 0 HG2 ARG A 53 92.332 12.210 8.284 1.00 0.00 H new ATOM 0 HG3 ARG A 53 93.690 13.274 7.974 1.00 0.00 H new ATOM 0 HD2 ARG A 53 92.125 14.481 9.348 1.00 0.00 H new ATOM 0 HD3 ARG A 53 92.083 15.196 7.749 1.00 0.00 H new ATOM 0 HE ARG A 53 90.061 13.110 8.159 1.00 0.00 H new ATOM 0 HH11 ARG A 53 90.840 16.559 8.338 1.00 0.00 H new ATOM 0 HH12 ARG A 53 89.144 17.052 8.390 1.00 0.00 H new ATOM 0 HH21 ARG A 53 87.903 13.752 8.241 1.00 0.00 H new ATOM 0 HH22 ARG A 53 87.486 15.466 8.335 1.00 0.00 H new ATOM 1104 N LEU A 54 92.109 10.613 3.889 1.00 0.00 N ATOM 1105 CA LEU A 54 91.640 10.357 2.539 1.00 0.00 C ATOM 1106 C LEU A 54 90.121 10.301 2.546 1.00 0.00 C ATOM 1107 O LEU A 54 89.517 9.999 3.572 1.00 0.00 O ATOM 1108 CB LEU A 54 92.203 9.029 2.025 1.00 0.00 C ATOM 1109 CG LEU A 54 93.726 8.898 2.087 1.00 0.00 C ATOM 1110 CD1 LEU A 54 94.158 7.505 1.665 1.00 0.00 C ATOM 1111 CD2 LEU A 54 94.389 9.949 1.212 1.00 0.00 C ATOM 0 H LEU A 54 91.782 9.933 4.576 1.00 0.00 H new ATOM 0 HA LEU A 54 91.979 11.157 1.881 1.00 0.00 H new ATOM 0 HB2 LEU A 54 91.761 8.218 2.603 1.00 0.00 H new ATOM 0 HB3 LEU A 54 91.885 8.894 0.991 1.00 0.00 H new ATOM 0 HG LEU A 54 94.043 9.060 3.117 1.00 0.00 H new ATOM 0 HD11 LEU A 54 95.244 7.430 1.715 1.00 0.00 H new ATOM 0 HD12 LEU A 54 93.712 6.768 2.333 1.00 0.00 H new ATOM 0 HD13 LEU A 54 93.828 7.316 0.644 1.00 0.00 H new ATOM 0 HD21 LEU A 54 95.472 9.840 1.269 1.00 0.00 H new ATOM 0 HD22 LEU A 54 94.065 9.820 0.179 1.00 0.00 H new ATOM 0 HD23 LEU A 54 94.106 10.943 1.559 1.00 0.00 H new ATOM 1123 N THR A 55 89.500 10.597 1.421 1.00 0.00 N ATOM 1124 CA THR A 55 88.052 10.539 1.332 1.00 0.00 C ATOM 1125 C THR A 55 87.624 9.759 0.100 1.00 0.00 C ATOM 1126 O THR A 55 87.869 10.176 -1.031 1.00 0.00 O ATOM 1127 CB THR A 55 87.431 11.950 1.309 1.00 0.00 C ATOM 1128 OG1 THR A 55 87.886 12.691 2.451 1.00 0.00 O ATOM 1129 CG2 THR A 55 85.908 11.876 1.325 1.00 0.00 C ATOM 0 H THR A 55 89.970 10.878 0.561 1.00 0.00 H new ATOM 0 HA THR A 55 87.688 10.025 2.221 1.00 0.00 H new ATOM 0 HB THR A 55 87.743 12.450 0.392 1.00 0.00 H new ATOM 0 HG1 THR A 55 87.493 13.589 2.436 1.00 0.00 H new ATOM 0 HG21 THR A 55 85.495 12.884 1.308 1.00 0.00 H new ATOM 0 HG22 THR A 55 85.561 11.327 0.450 1.00 0.00 H new ATOM 0 HG23 THR A 55 85.578 11.364 2.229 1.00 0.00 H new ATOM 1137 N SER A 56 87.006 8.614 0.330 1.00 0.00 N ATOM 1138 CA SER A 56 86.532 7.769 -0.747 1.00 0.00 C ATOM 1139 C SER A 56 85.081 8.107 -1.084 1.00 0.00 C ATOM 1140 O SER A 56 84.587 9.174 -0.713 1.00 0.00 O ATOM 1141 CB SER A 56 86.664 6.305 -0.335 1.00 0.00 C ATOM 1142 OG SER A 56 87.987 6.021 0.081 1.00 0.00 O ATOM 0 H SER A 56 86.820 8.247 1.263 1.00 0.00 H new ATOM 0 HA SER A 56 87.135 7.943 -1.638 1.00 0.00 H new ATOM 0 HB2 SER A 56 85.968 6.085 0.474 1.00 0.00 H new ATOM 0 HB3 SER A 56 86.394 5.661 -1.172 1.00 0.00 H new ATOM 0 HG SER A 56 88.000 5.868 1.049 1.00 0.00 H new ATOM 1148 N GLU A 57 84.406 7.190 -1.774 1.00 0.00 N ATOM 1149 CA GLU A 57 83.028 7.398 -2.215 1.00 0.00 C ATOM 1150 C GLU A 57 82.113 7.791 -1.054 1.00 0.00 C ATOM 1151 O GLU A 57 81.295 8.701 -1.175 1.00 0.00 O ATOM 1152 CB GLU A 57 82.503 6.127 -2.891 1.00 0.00 C ATOM 1153 CG GLU A 57 81.112 6.280 -3.476 1.00 0.00 C ATOM 1154 CD GLU A 57 80.602 5.010 -4.124 1.00 0.00 C ATOM 1155 OE1 GLU A 57 79.974 4.192 -3.422 1.00 0.00 O ATOM 1156 OE2 GLU A 57 80.805 4.837 -5.342 1.00 0.00 O ATOM 0 H GLU A 57 84.796 6.286 -2.042 1.00 0.00 H new ATOM 0 HA GLU A 57 83.026 8.222 -2.929 1.00 0.00 H new ATOM 0 HB2 GLU A 57 83.192 5.837 -3.684 1.00 0.00 H new ATOM 0 HB3 GLU A 57 82.495 5.316 -2.163 1.00 0.00 H new ATOM 0 HG2 GLU A 57 80.423 6.581 -2.687 1.00 0.00 H new ATOM 0 HG3 GLU A 57 81.120 7.081 -4.215 1.00 0.00 H new ATOM 1163 N GLY A 58 82.266 7.109 0.070 1.00 0.00 N ATOM 1164 CA GLY A 58 81.444 7.398 1.231 1.00 0.00 C ATOM 1165 C GLY A 58 82.121 7.008 2.528 1.00 0.00 C ATOM 1166 O GLY A 58 81.472 6.884 3.566 1.00 0.00 O ATOM 0 H GLY A 58 82.945 6.359 0.202 1.00 0.00 H new ATOM 0 HA2 GLY A 58 81.211 8.462 1.252 1.00 0.00 H new ATOM 0 HA3 GLY A 58 80.497 6.866 1.144 1.00 0.00 H new ATOM 1170 N VAL A 59 83.430 6.818 2.470 1.00 0.00 N ATOM 1171 CA VAL A 59 84.204 6.403 3.634 1.00 0.00 C ATOM 1172 C VAL A 59 85.443 7.278 3.765 1.00 0.00 C ATOM 1173 O VAL A 59 86.041 7.662 2.756 1.00 0.00 O ATOM 1174 CB VAL A 59 84.636 4.918 3.531 1.00 0.00 C ATOM 1175 CG1 VAL A 59 85.406 4.488 4.771 1.00 0.00 C ATOM 1176 CG2 VAL A 59 83.431 4.013 3.317 1.00 0.00 C ATOM 0 H VAL A 59 83.984 6.945 1.623 1.00 0.00 H new ATOM 0 HA VAL A 59 83.570 6.515 4.513 1.00 0.00 H new ATOM 0 HB VAL A 59 85.294 4.824 2.667 1.00 0.00 H new ATOM 0 HG11 VAL A 59 85.698 3.442 4.674 1.00 0.00 H new ATOM 0 HG12 VAL A 59 86.298 5.105 4.877 1.00 0.00 H new ATOM 0 HG13 VAL A 59 84.775 4.608 5.651 1.00 0.00 H new ATOM 0 HG21 VAL A 59 83.762 2.977 3.248 1.00 0.00 H new ATOM 0 HG22 VAL A 59 82.743 4.119 4.156 1.00 0.00 H new ATOM 0 HG23 VAL A 59 82.924 4.294 2.394 1.00 0.00 H new ATOM 1186 N GLU A 60 85.817 7.609 4.991 1.00 0.00 N ATOM 1187 CA GLU A 60 87.001 8.416 5.229 1.00 0.00 C ATOM 1188 C GLU A 60 88.143 7.531 5.709 1.00 0.00 C ATOM 1189 O GLU A 60 87.956 6.678 6.581 1.00 0.00 O ATOM 1190 CB GLU A 60 86.706 9.514 6.248 1.00 0.00 C ATOM 1191 CG GLU A 60 87.778 10.589 6.307 1.00 0.00 C ATOM 1192 CD GLU A 60 87.381 11.751 7.187 1.00 0.00 C ATOM 1193 OE1 GLU A 60 86.300 12.335 6.955 1.00 0.00 O ATOM 1194 OE2 GLU A 60 88.135 12.085 8.117 1.00 0.00 O ATOM 0 H GLU A 60 85.317 7.331 5.836 1.00 0.00 H new ATOM 0 HA GLU A 60 87.296 8.893 4.294 1.00 0.00 H new ATOM 0 HB2 GLU A 60 85.750 9.978 6.004 1.00 0.00 H new ATOM 0 HB3 GLU A 60 86.599 9.064 7.235 1.00 0.00 H new ATOM 0 HG2 GLU A 60 88.705 10.154 6.681 1.00 0.00 H new ATOM 0 HG3 GLU A 60 87.980 10.952 5.299 1.00 0.00 H new ATOM 1201 N ILE A 61 89.321 7.742 5.143 1.00 0.00 N ATOM 1202 CA ILE A 61 90.470 6.887 5.409 1.00 0.00 C ATOM 1203 C ILE A 61 91.571 7.669 6.119 1.00 0.00 C ATOM 1204 O ILE A 61 91.788 8.841 5.824 1.00 0.00 O ATOM 1205 CB ILE A 61 91.045 6.311 4.092 1.00 0.00 C ATOM 1206 CG1 ILE A 61 89.929 5.733 3.216 1.00 0.00 C ATOM 1207 CG2 ILE A 61 92.093 5.245 4.380 1.00 0.00 C ATOM 1208 CD1 ILE A 61 89.174 4.591 3.858 1.00 0.00 C ATOM 0 H ILE A 61 89.508 8.504 4.491 1.00 0.00 H new ATOM 0 HA ILE A 61 90.129 6.071 6.046 1.00 0.00 H new ATOM 0 HB ILE A 61 91.521 7.128 3.550 1.00 0.00 H new ATOM 0 HG12 ILE A 61 89.225 6.528 2.970 1.00 0.00 H new ATOM 0 HG13 ILE A 61 90.360 5.388 2.276 1.00 0.00 H new ATOM 0 HG21 ILE A 61 92.483 4.855 3.440 1.00 0.00 H new ATOM 0 HG22 ILE A 61 92.908 5.682 4.957 1.00 0.00 H new ATOM 0 HG23 ILE A 61 91.640 4.434 4.950 1.00 0.00 H new ATOM 0 HD11 ILE A 61 88.401 4.237 3.176 1.00 0.00 H new ATOM 0 HD12 ILE A 61 89.864 3.777 4.079 1.00 0.00 H new ATOM 0 HD13 ILE A 61 88.711 4.935 4.783 1.00 0.00 H new ATOM 1220 N VAL A 62 92.245 7.025 7.058 1.00 0.00 N ATOM 1221 CA VAL A 62 93.427 7.602 7.687 1.00 0.00 C ATOM 1222 C VAL A 62 94.606 6.639 7.602 1.00 0.00 C ATOM 1223 O VAL A 62 94.586 5.546 8.178 1.00 0.00 O ATOM 1224 CB VAL A 62 93.188 8.006 9.163 1.00 0.00 C ATOM 1225 CG1 VAL A 62 92.437 9.325 9.240 1.00 0.00 C ATOM 1226 CG2 VAL A 62 92.431 6.923 9.918 1.00 0.00 C ATOM 0 H VAL A 62 91.994 6.099 7.404 1.00 0.00 H new ATOM 0 HA VAL A 62 93.655 8.513 7.133 1.00 0.00 H new ATOM 0 HB VAL A 62 94.163 8.128 9.636 1.00 0.00 H new ATOM 0 HG11 VAL A 62 92.278 9.593 10.285 1.00 0.00 H new ATOM 0 HG12 VAL A 62 93.020 10.105 8.750 1.00 0.00 H new ATOM 0 HG13 VAL A 62 91.473 9.225 8.741 1.00 0.00 H new ATOM 0 HG21 VAL A 62 92.280 7.237 10.951 1.00 0.00 H new ATOM 0 HG22 VAL A 62 91.464 6.757 9.444 1.00 0.00 H new ATOM 0 HG23 VAL A 62 93.007 5.998 9.901 1.00 0.00 H new ATOM 1236 N ILE A 63 95.621 7.041 6.857 1.00 0.00 N ATOM 1237 CA ILE A 63 96.829 6.248 6.710 1.00 0.00 C ATOM 1238 C ILE A 63 98.041 7.074 7.120 1.00 0.00 C ATOM 1239 O ILE A 63 98.487 7.950 6.383 1.00 0.00 O ATOM 1240 CB ILE A 63 97.004 5.737 5.263 1.00 0.00 C ATOM 1241 CG1 ILE A 63 95.812 4.857 4.871 1.00 0.00 C ATOM 1242 CG2 ILE A 63 98.310 4.968 5.122 1.00 0.00 C ATOM 1243 CD1 ILE A 63 95.838 4.387 3.433 1.00 0.00 C ATOM 0 H ILE A 63 95.632 7.920 6.340 1.00 0.00 H new ATOM 0 HA ILE A 63 96.740 5.378 7.361 1.00 0.00 H new ATOM 0 HB ILE A 63 97.042 6.593 4.590 1.00 0.00 H new ATOM 0 HG12 ILE A 63 95.786 3.986 5.526 1.00 0.00 H new ATOM 0 HG13 ILE A 63 94.891 5.414 5.044 1.00 0.00 H new ATOM 0 HG21 ILE A 63 98.416 4.616 4.096 1.00 0.00 H new ATOM 0 HG22 ILE A 63 99.146 5.622 5.369 1.00 0.00 H new ATOM 0 HG23 ILE A 63 98.305 4.114 5.800 1.00 0.00 H new ATOM 0 HD11 ILE A 63 94.961 3.770 3.236 1.00 0.00 H new ATOM 0 HD12 ILE A 63 95.831 5.250 2.768 1.00 0.00 H new ATOM 0 HD13 ILE A 63 96.740 3.801 3.258 1.00 0.00 H new ATOM 1255 N ALA A 64 98.550 6.793 8.316 1.00 0.00 N ATOM 1256 CA ALA A 64 99.640 7.561 8.907 1.00 0.00 C ATOM 1257 C ALA A 64 100.830 7.708 7.964 1.00 0.00 C ATOM 1258 O ALA A 64 101.108 6.821 7.150 1.00 0.00 O ATOM 1259 CB ALA A 64 100.084 6.920 10.214 1.00 0.00 C ATOM 0 H ALA A 64 98.218 6.027 8.902 1.00 0.00 H new ATOM 0 HA ALA A 64 99.258 8.563 9.101 1.00 0.00 H new ATOM 0 HB1 ALA A 64 100.898 7.502 10.646 1.00 0.00 H new ATOM 0 HB2 ALA A 64 99.246 6.895 10.910 1.00 0.00 H new ATOM 0 HB3 ALA A 64 100.426 5.903 10.023 1.00 0.00 H new ATOM 1265 N PRO A 65 101.564 8.830 8.085 1.00 0.00 N ATOM 1266 CA PRO A 65 102.744 9.121 7.258 1.00 0.00 C ATOM 1267 C PRO A 65 103.835 8.056 7.381 1.00 0.00 C ATOM 1268 O PRO A 65 104.794 8.044 6.611 1.00 0.00 O ATOM 1269 CB PRO A 65 103.250 10.467 7.794 1.00 0.00 C ATOM 1270 CG PRO A 65 102.608 10.628 9.129 1.00 0.00 C ATOM 1271 CD PRO A 65 101.288 9.923 9.035 1.00 0.00 C ATOM 0 HA PRO A 65 102.487 9.139 6.199 1.00 0.00 H new ATOM 0 HB2 PRO A 65 104.337 10.473 7.877 1.00 0.00 H new ATOM 0 HB3 PRO A 65 102.977 11.284 7.126 1.00 0.00 H new ATOM 0 HG2 PRO A 65 103.227 10.196 9.915 1.00 0.00 H new ATOM 0 HG3 PRO A 65 102.472 11.682 9.373 1.00 0.00 H new ATOM 0 HD2 PRO A 65 100.963 9.544 10.004 1.00 0.00 H new ATOM 0 HD3 PRO A 65 100.502 10.585 8.672 1.00 0.00 H new ATOM 1279 N ASP A 66 103.687 7.169 8.353 1.00 0.00 N ATOM 1280 CA ASP A 66 104.609 6.055 8.511 1.00 0.00 C ATOM 1281 C ASP A 66 104.138 4.860 7.686 1.00 0.00 C ATOM 1282 O ASP A 66 104.931 4.204 7.012 1.00 0.00 O ATOM 1283 CB ASP A 66 104.723 5.663 9.985 1.00 0.00 C ATOM 1284 CG ASP A 66 105.890 4.733 10.247 1.00 0.00 C ATOM 1285 OD1 ASP A 66 105.710 3.500 10.168 1.00 0.00 O ATOM 1286 OD2 ASP A 66 106.992 5.239 10.551 1.00 0.00 O ATOM 0 H ASP A 66 102.937 7.199 9.044 1.00 0.00 H new ATOM 0 HA ASP A 66 105.592 6.364 8.155 1.00 0.00 H new ATOM 0 HB2 ASP A 66 104.836 6.563 10.590 1.00 0.00 H new ATOM 0 HB3 ASP A 66 103.799 5.180 10.302 1.00 0.00 H new ATOM 1291 N TYR A 67 102.831 4.612 7.709 1.00 0.00 N ATOM 1292 CA TYR A 67 102.250 3.469 7.012 1.00 0.00 C ATOM 1293 C TYR A 67 102.168 3.717 5.510 1.00 0.00 C ATOM 1294 O TYR A 67 102.267 2.783 4.715 1.00 0.00 O ATOM 1295 CB TYR A 67 100.857 3.148 7.559 1.00 0.00 C ATOM 1296 CG TYR A 67 100.855 2.638 8.983 1.00 0.00 C ATOM 1297 CD1 TYR A 67 101.419 1.410 9.303 1.00 0.00 C ATOM 1298 CD2 TYR A 67 100.279 3.381 10.004 1.00 0.00 C ATOM 1299 CE1 TYR A 67 101.410 0.938 10.603 1.00 0.00 C ATOM 1300 CE2 TYR A 67 100.266 2.917 11.306 1.00 0.00 C ATOM 1301 CZ TYR A 67 100.833 1.695 11.601 1.00 0.00 C ATOM 1302 OH TYR A 67 100.823 1.230 12.897 1.00 0.00 O ATOM 0 H TYR A 67 102.152 5.190 8.205 1.00 0.00 H new ATOM 0 HA TYR A 67 102.906 2.616 7.186 1.00 0.00 H new ATOM 0 HB2 TYR A 67 100.242 4.046 7.505 1.00 0.00 H new ATOM 0 HB3 TYR A 67 100.389 2.402 6.917 1.00 0.00 H new ATOM 0 HD1 TYR A 67 101.872 0.814 8.524 1.00 0.00 H new ATOM 0 HD2 TYR A 67 99.833 4.338 9.777 1.00 0.00 H new ATOM 0 HE1 TYR A 67 101.853 -0.019 10.836 1.00 0.00 H new ATOM 0 HE2 TYR A 67 99.814 3.509 12.088 1.00 0.00 H new ATOM 0 HH TYR A 67 100.380 1.885 13.476 1.00 0.00 H new ATOM 1312 N VAL A 68 101.996 4.983 5.125 1.00 0.00 N ATOM 1313 CA VAL A 68 101.915 5.363 3.711 1.00 0.00 C ATOM 1314 C VAL A 68 103.138 4.867 2.936 1.00 0.00 C ATOM 1315 O VAL A 68 103.071 4.641 1.729 1.00 0.00 O ATOM 1316 CB VAL A 68 101.795 6.896 3.541 1.00 0.00 C ATOM 1317 CG1 VAL A 68 103.037 7.596 4.057 1.00 0.00 C ATOM 1318 CG2 VAL A 68 101.551 7.269 2.087 1.00 0.00 C ATOM 0 H VAL A 68 101.910 5.765 5.774 1.00 0.00 H new ATOM 0 HA VAL A 68 101.018 4.892 3.309 1.00 0.00 H new ATOM 0 HB VAL A 68 100.939 7.226 4.129 1.00 0.00 H new ATOM 0 HG11 VAL A 68 102.929 8.673 3.927 1.00 0.00 H new ATOM 0 HG12 VAL A 68 103.169 7.370 5.115 1.00 0.00 H new ATOM 0 HG13 VAL A 68 103.908 7.249 3.501 1.00 0.00 H new ATOM 0 HG21 VAL A 68 101.471 8.352 1.998 1.00 0.00 H new ATOM 0 HG22 VAL A 68 102.382 6.915 1.476 1.00 0.00 H new ATOM 0 HG23 VAL A 68 100.625 6.807 1.743 1.00 0.00 H new ATOM 1328 N SER A 69 104.242 4.673 3.651 1.00 0.00 N ATOM 1329 CA SER A 69 105.490 4.218 3.058 1.00 0.00 C ATOM 1330 C SER A 69 105.322 2.863 2.368 1.00 0.00 C ATOM 1331 O SER A 69 106.104 2.508 1.485 1.00 0.00 O ATOM 1332 CB SER A 69 106.558 4.122 4.146 1.00 0.00 C ATOM 1333 OG SER A 69 106.553 5.285 4.958 1.00 0.00 O ATOM 0 H SER A 69 104.294 4.828 4.658 1.00 0.00 H new ATOM 0 HA SER A 69 105.795 4.939 2.299 1.00 0.00 H new ATOM 0 HB2 SER A 69 106.378 3.241 4.763 1.00 0.00 H new ATOM 0 HB3 SER A 69 107.539 3.996 3.689 1.00 0.00 H new ATOM 0 HG SER A 69 106.032 5.115 5.770 1.00 0.00 H new ATOM 1339 N LEU A 70 104.298 2.114 2.767 1.00 0.00 N ATOM 1340 CA LEU A 70 104.048 0.793 2.204 1.00 0.00 C ATOM 1341 C LEU A 70 102.595 0.645 1.757 1.00 0.00 C ATOM 1342 O LEU A 70 102.185 -0.428 1.322 1.00 0.00 O ATOM 1343 CB LEU A 70 104.369 -0.289 3.241 1.00 0.00 C ATOM 1344 CG LEU A 70 105.818 -0.324 3.733 1.00 0.00 C ATOM 1345 CD1 LEU A 70 105.964 -1.316 4.875 1.00 0.00 C ATOM 1346 CD2 LEU A 70 106.760 -0.682 2.594 1.00 0.00 C ATOM 0 H LEU A 70 103.627 2.401 3.480 1.00 0.00 H new ATOM 0 HA LEU A 70 104.693 0.676 1.333 1.00 0.00 H new ATOM 0 HB2 LEU A 70 103.715 -0.148 4.102 1.00 0.00 H new ATOM 0 HB3 LEU A 70 104.126 -1.261 2.812 1.00 0.00 H new ATOM 0 HG LEU A 70 106.083 0.668 4.099 1.00 0.00 H new ATOM 0 HD11 LEU A 70 107.000 -1.330 5.215 1.00 0.00 H new ATOM 0 HD12 LEU A 70 105.316 -1.020 5.700 1.00 0.00 H new ATOM 0 HD13 LEU A 70 105.681 -2.311 4.531 1.00 0.00 H new ATOM 0 HD21 LEU A 70 107.786 -0.702 2.963 1.00 0.00 H new ATOM 0 HD22 LEU A 70 106.497 -1.663 2.199 1.00 0.00 H new ATOM 0 HD23 LEU A 70 106.673 0.063 1.803 1.00 0.00 H new ATOM 1358 N LEU A 71 101.821 1.721 1.850 1.00 0.00 N ATOM 1359 CA LEU A 71 100.386 1.640 1.585 1.00 0.00 C ATOM 1360 C LEU A 71 99.952 2.517 0.414 1.00 0.00 C ATOM 1361 O LEU A 71 98.759 2.758 0.225 1.00 0.00 O ATOM 1362 CB LEU A 71 99.584 2.011 2.836 1.00 0.00 C ATOM 1363 CG LEU A 71 99.603 0.966 3.953 1.00 0.00 C ATOM 1364 CD1 LEU A 71 98.791 1.444 5.145 1.00 0.00 C ATOM 1365 CD2 LEU A 71 99.064 -0.362 3.447 1.00 0.00 C ATOM 0 H LEU A 71 102.156 2.650 2.104 1.00 0.00 H new ATOM 0 HA LEU A 71 100.180 0.605 1.311 1.00 0.00 H new ATOM 0 HB2 LEU A 71 99.971 2.950 3.232 1.00 0.00 H new ATOM 0 HB3 LEU A 71 98.549 2.190 2.545 1.00 0.00 H new ATOM 0 HG LEU A 71 100.636 0.824 4.272 1.00 0.00 H new ATOM 0 HD11 LEU A 71 98.816 0.687 5.929 1.00 0.00 H new ATOM 0 HD12 LEU A 71 99.214 2.374 5.524 1.00 0.00 H new ATOM 0 HD13 LEU A 71 97.759 1.614 4.838 1.00 0.00 H new ATOM 0 HD21 LEU A 71 99.084 -1.094 4.254 1.00 0.00 H new ATOM 0 HD22 LEU A 71 98.038 -0.231 3.102 1.00 0.00 H new ATOM 0 HD23 LEU A 71 99.682 -0.715 2.621 1.00 0.00 H new ATOM 1377 N ASP A 72 100.900 2.996 -0.375 1.00 0.00 N ATOM 1378 CA ASP A 72 100.548 3.730 -1.585 1.00 0.00 C ATOM 1379 C ASP A 72 100.380 2.760 -2.751 1.00 0.00 C ATOM 1380 O ASP A 72 100.915 1.648 -2.720 1.00 0.00 O ATOM 1381 CB ASP A 72 101.589 4.807 -1.919 1.00 0.00 C ATOM 1382 CG ASP A 72 102.943 4.240 -2.298 1.00 0.00 C ATOM 1383 OD1 ASP A 72 103.745 3.956 -1.387 1.00 0.00 O ATOM 1384 OD2 ASP A 72 103.220 4.105 -3.507 1.00 0.00 O ATOM 0 H ASP A 72 101.901 2.894 -0.207 1.00 0.00 H new ATOM 0 HA ASP A 72 99.602 4.241 -1.407 1.00 0.00 H new ATOM 0 HB2 ASP A 72 101.217 5.419 -2.741 1.00 0.00 H new ATOM 0 HB3 ASP A 72 101.707 5.466 -1.059 1.00 0.00 H new ATOM 1389 N GLN A 73 99.610 3.185 -3.757 1.00 0.00 N ATOM 1390 CA GLN A 73 99.288 2.349 -4.921 1.00 0.00 C ATOM 1391 C GLN A 73 98.398 1.176 -4.521 1.00 0.00 C ATOM 1392 O GLN A 73 98.375 0.140 -5.189 1.00 0.00 O ATOM 1393 CB GLN A 73 100.555 1.834 -5.618 1.00 0.00 C ATOM 1394 CG GLN A 73 101.368 2.921 -6.297 1.00 0.00 C ATOM 1395 CD GLN A 73 102.521 2.363 -7.110 1.00 0.00 C ATOM 1396 OE1 GLN A 73 103.089 1.320 -6.779 1.00 0.00 O ATOM 1397 NE2 GLN A 73 102.861 3.046 -8.189 1.00 0.00 N ATOM 0 H GLN A 73 99.193 4.115 -3.789 1.00 0.00 H new ATOM 0 HA GLN A 73 98.746 2.978 -5.627 1.00 0.00 H new ATOM 0 HB2 GLN A 73 101.183 1.330 -4.883 1.00 0.00 H new ATOM 0 HB3 GLN A 73 100.272 1.088 -6.361 1.00 0.00 H new ATOM 0 HG2 GLN A 73 100.717 3.504 -6.949 1.00 0.00 H new ATOM 0 HG3 GLN A 73 101.757 3.604 -5.542 1.00 0.00 H new ATOM 0 HE21 GLN A 73 102.364 3.905 -8.427 1.00 0.00 H new ATOM 0 HE22 GLN A 73 103.620 2.714 -8.784 1.00 0.00 H new ATOM 1406 N THR A 74 97.639 1.356 -3.452 1.00 0.00 N ATOM 1407 CA THR A 74 96.783 0.300 -2.941 1.00 0.00 C ATOM 1408 C THR A 74 95.417 0.319 -3.621 1.00 0.00 C ATOM 1409 O THR A 74 94.657 1.283 -3.500 1.00 0.00 O ATOM 1410 CB THR A 74 96.600 0.425 -1.416 1.00 0.00 C ATOM 1411 OG1 THR A 74 97.880 0.434 -0.774 1.00 0.00 O ATOM 1412 CG2 THR A 74 95.769 -0.726 -0.871 1.00 0.00 C ATOM 0 H THR A 74 97.599 2.226 -2.921 1.00 0.00 H new ATOM 0 HA THR A 74 97.273 -0.648 -3.163 1.00 0.00 H new ATOM 0 HB THR A 74 96.077 1.359 -1.211 1.00 0.00 H new ATOM 0 HG1 THR A 74 97.979 1.259 -0.254 1.00 0.00 H new ATOM 0 HG21 THR A 74 95.655 -0.614 0.207 1.00 0.00 H new ATOM 0 HG22 THR A 74 94.786 -0.720 -1.342 1.00 0.00 H new ATOM 0 HG23 THR A 74 96.269 -1.670 -1.087 1.00 0.00 H new ATOM 1420 N THR A 75 95.125 -0.742 -4.358 1.00 0.00 N ATOM 1421 CA THR A 75 93.823 -0.908 -4.975 1.00 0.00 C ATOM 1422 C THR A 75 92.987 -1.892 -4.160 1.00 0.00 C ATOM 1423 O THR A 75 93.203 -3.102 -4.217 1.00 0.00 O ATOM 1424 CB THR A 75 93.957 -1.408 -6.427 1.00 0.00 C ATOM 1425 OG1 THR A 75 94.896 -0.585 -7.135 1.00 0.00 O ATOM 1426 CG2 THR A 75 92.612 -1.382 -7.142 1.00 0.00 C ATOM 0 H THR A 75 95.778 -1.504 -4.542 1.00 0.00 H new ATOM 0 HA THR A 75 93.327 0.062 -4.995 1.00 0.00 H new ATOM 0 HB THR A 75 94.312 -2.438 -6.404 1.00 0.00 H new ATOM 0 HG1 THR A 75 94.981 -0.905 -8.057 1.00 0.00 H new ATOM 0 HG21 THR A 75 92.736 -1.740 -8.164 1.00 0.00 H new ATOM 0 HG22 THR A 75 91.907 -2.026 -6.615 1.00 0.00 H new ATOM 0 HG23 THR A 75 92.229 -0.362 -7.159 1.00 0.00 H new ATOM 1434 N LEU A 76 92.059 -1.362 -3.379 1.00 0.00 N ATOM 1435 CA LEU A 76 91.237 -2.175 -2.495 1.00 0.00 C ATOM 1436 C LEU A 76 89.975 -2.638 -3.206 1.00 0.00 C ATOM 1437 O LEU A 76 89.088 -1.834 -3.507 1.00 0.00 O ATOM 1438 CB LEU A 76 90.863 -1.377 -1.245 1.00 0.00 C ATOM 1439 CG LEU A 76 89.874 -2.065 -0.302 1.00 0.00 C ATOM 1440 CD1 LEU A 76 90.504 -3.291 0.344 1.00 0.00 C ATOM 1441 CD2 LEU A 76 89.383 -1.088 0.751 1.00 0.00 C ATOM 0 H LEU A 76 91.855 -0.363 -3.339 1.00 0.00 H new ATOM 0 HA LEU A 76 91.814 -3.053 -2.203 1.00 0.00 H new ATOM 0 HB2 LEU A 76 91.774 -1.155 -0.690 1.00 0.00 H new ATOM 0 HB3 LEU A 76 90.439 -0.423 -1.557 1.00 0.00 H new ATOM 0 HG LEU A 76 89.017 -2.400 -0.886 1.00 0.00 H new ATOM 0 HD11 LEU A 76 89.782 -3.763 1.010 1.00 0.00 H new ATOM 0 HD12 LEU A 76 90.800 -3.999 -0.430 1.00 0.00 H new ATOM 0 HD13 LEU A 76 91.382 -2.990 0.916 1.00 0.00 H new ATOM 0 HD21 LEU A 76 88.680 -1.591 1.415 1.00 0.00 H new ATOM 0 HD22 LEU A 76 90.230 -0.721 1.330 1.00 0.00 H new ATOM 0 HD23 LEU A 76 88.886 -0.249 0.265 1.00 0.00 H new ATOM 1453 N ASP A 77 89.891 -3.930 -3.469 1.00 0.00 N ATOM 1454 CA ASP A 77 88.732 -4.490 -4.147 1.00 0.00 C ATOM 1455 C ASP A 77 87.945 -5.387 -3.195 1.00 0.00 C ATOM 1456 O ASP A 77 88.430 -5.737 -2.114 1.00 0.00 O ATOM 1457 CB ASP A 77 89.164 -5.269 -5.394 1.00 0.00 C ATOM 1458 CG ASP A 77 88.003 -5.586 -6.318 1.00 0.00 C ATOM 1459 OD1 ASP A 77 87.034 -4.799 -6.357 1.00 0.00 O ATOM 1460 OD2 ASP A 77 88.054 -6.617 -7.016 1.00 0.00 O ATOM 0 H ASP A 77 90.609 -4.611 -3.224 1.00 0.00 H new ATOM 0 HA ASP A 77 88.085 -3.672 -4.464 1.00 0.00 H new ATOM 0 HB2 ASP A 77 89.909 -4.690 -5.939 1.00 0.00 H new ATOM 0 HB3 ASP A 77 89.644 -6.199 -5.088 1.00 0.00 H new ATOM 1465 N TYR A 78 86.735 -5.751 -3.591 1.00 0.00 N ATOM 1466 CA TYR A 78 85.854 -6.544 -2.746 1.00 0.00 C ATOM 1467 C TYR A 78 85.532 -7.881 -3.407 1.00 0.00 C ATOM 1468 O TYR A 78 84.582 -7.989 -4.186 1.00 0.00 O ATOM 1469 CB TYR A 78 84.570 -5.749 -2.470 1.00 0.00 C ATOM 1470 CG TYR A 78 83.564 -6.435 -1.570 1.00 0.00 C ATOM 1471 CD1 TYR A 78 83.829 -6.644 -0.223 1.00 0.00 C ATOM 1472 CD2 TYR A 78 82.334 -6.850 -2.068 1.00 0.00 C ATOM 1473 CE1 TYR A 78 82.900 -7.254 0.599 1.00 0.00 C ATOM 1474 CE2 TYR A 78 81.400 -7.456 -1.251 1.00 0.00 C ATOM 1475 CZ TYR A 78 81.686 -7.655 0.081 1.00 0.00 C ATOM 1476 OH TYR A 78 80.754 -8.252 0.899 1.00 0.00 O ATOM 0 H TYR A 78 86.338 -5.508 -4.499 1.00 0.00 H new ATOM 0 HA TYR A 78 86.355 -6.755 -1.801 1.00 0.00 H new ATOM 0 HB2 TYR A 78 84.843 -4.794 -2.020 1.00 0.00 H new ATOM 0 HB3 TYR A 78 84.088 -5.527 -3.422 1.00 0.00 H new ATOM 0 HD1 TYR A 78 84.775 -6.325 0.189 1.00 0.00 H new ATOM 0 HD2 TYR A 78 82.105 -6.696 -3.112 1.00 0.00 H new ATOM 0 HE1 TYR A 78 83.124 -7.416 1.643 1.00 0.00 H new ATOM 0 HE2 TYR A 78 80.450 -7.772 -1.655 1.00 0.00 H new ATOM 0 HH TYR A 78 80.678 -7.744 1.734 1.00 0.00 H new ATOM 1486 N VAL A 79 86.352 -8.890 -3.131 1.00 0.00 N ATOM 1487 CA VAL A 79 86.122 -10.224 -3.674 1.00 0.00 C ATOM 1488 C VAL A 79 86.186 -11.277 -2.574 1.00 0.00 C ATOM 1489 O VAL A 79 86.843 -11.081 -1.550 1.00 0.00 O ATOM 1490 CB VAL A 79 87.147 -10.596 -4.775 1.00 0.00 C ATOM 1491 CG1 VAL A 79 87.148 -9.569 -5.894 1.00 0.00 C ATOM 1492 CG2 VAL A 79 88.546 -10.755 -4.194 1.00 0.00 C ATOM 0 H VAL A 79 87.178 -8.810 -2.538 1.00 0.00 H new ATOM 0 HA VAL A 79 85.126 -10.205 -4.117 1.00 0.00 H new ATOM 0 HB VAL A 79 86.843 -11.555 -5.195 1.00 0.00 H new ATOM 0 HG11 VAL A 79 87.877 -9.857 -6.651 1.00 0.00 H new ATOM 0 HG12 VAL A 79 86.157 -9.521 -6.344 1.00 0.00 H new ATOM 0 HG13 VAL A 79 87.411 -8.591 -5.490 1.00 0.00 H new ATOM 0 HG21 VAL A 79 89.243 -11.016 -4.990 1.00 0.00 H new ATOM 0 HG22 VAL A 79 88.857 -9.818 -3.732 1.00 0.00 H new ATOM 0 HG23 VAL A 79 88.541 -11.545 -3.443 1.00 0.00 H new ATOM 1502 N GLU A 80 85.506 -12.391 -2.779 1.00 0.00 N ATOM 1503 CA GLU A 80 85.598 -13.496 -1.844 1.00 0.00 C ATOM 1504 C GLU A 80 86.587 -14.534 -2.366 1.00 0.00 C ATOM 1505 O GLU A 80 86.266 -15.342 -3.235 1.00 0.00 O ATOM 1506 CB GLU A 80 84.221 -14.122 -1.565 1.00 0.00 C ATOM 1507 CG GLU A 80 83.462 -14.573 -2.802 1.00 0.00 C ATOM 1508 CD GLU A 80 82.165 -15.278 -2.460 1.00 0.00 C ATOM 1509 OE1 GLU A 80 82.193 -16.501 -2.204 1.00 0.00 O ATOM 1510 OE2 GLU A 80 81.108 -14.618 -2.451 1.00 0.00 O ATOM 0 H GLU A 80 84.890 -12.553 -3.576 1.00 0.00 H new ATOM 0 HA GLU A 80 85.965 -13.111 -0.892 1.00 0.00 H new ATOM 0 HB2 GLU A 80 84.355 -14.979 -0.905 1.00 0.00 H new ATOM 0 HB3 GLU A 80 83.611 -13.397 -1.026 1.00 0.00 H new ATOM 0 HG2 GLU A 80 83.247 -13.707 -3.429 1.00 0.00 H new ATOM 0 HG3 GLU A 80 84.092 -15.242 -3.388 1.00 0.00 H new ATOM 1517 N LEU A 81 87.814 -14.469 -1.863 1.00 0.00 N ATOM 1518 CA LEU A 81 88.851 -15.420 -2.254 1.00 0.00 C ATOM 1519 C LEU A 81 88.494 -16.812 -1.758 1.00 0.00 C ATOM 1520 O LEU A 81 88.888 -17.820 -2.346 1.00 0.00 O ATOM 1521 CB LEU A 81 90.213 -14.996 -1.698 1.00 0.00 C ATOM 1522 CG LEU A 81 90.750 -13.665 -2.229 1.00 0.00 C ATOM 1523 CD1 LEU A 81 92.096 -13.346 -1.597 1.00 0.00 C ATOM 1524 CD2 LEU A 81 90.871 -13.703 -3.744 1.00 0.00 C ATOM 0 H LEU A 81 88.116 -13.770 -1.185 1.00 0.00 H new ATOM 0 HA LEU A 81 88.914 -15.434 -3.342 1.00 0.00 H new ATOM 0 HB2 LEU A 81 90.140 -14.932 -0.612 1.00 0.00 H new ATOM 0 HB3 LEU A 81 90.938 -15.778 -1.923 1.00 0.00 H new ATOM 0 HG LEU A 81 90.045 -12.878 -1.960 1.00 0.00 H new ATOM 0 HD11 LEU A 81 92.464 -12.396 -1.985 1.00 0.00 H new ATOM 0 HD12 LEU A 81 91.983 -13.276 -0.515 1.00 0.00 H new ATOM 0 HD13 LEU A 81 92.807 -14.136 -1.837 1.00 0.00 H new ATOM 0 HD21 LEU A 81 91.254 -12.748 -4.102 1.00 0.00 H new ATOM 0 HD22 LEU A 81 91.555 -14.500 -4.034 1.00 0.00 H new ATOM 0 HD23 LEU A 81 89.891 -13.888 -4.183 1.00 0.00 H new ATOM 1536 N GLU A 82 87.749 -16.853 -0.670 1.00 0.00 N ATOM 1537 CA GLU A 82 87.245 -18.098 -0.129 1.00 0.00 C ATOM 1538 C GLU A 82 85.727 -18.094 -0.204 1.00 0.00 C ATOM 1539 O GLU A 82 85.107 -17.037 -0.072 1.00 0.00 O ATOM 1540 CB GLU A 82 87.710 -18.276 1.314 1.00 0.00 C ATOM 1541 CG GLU A 82 89.221 -18.338 1.454 1.00 0.00 C ATOM 1542 CD GLU A 82 89.661 -18.494 2.890 1.00 0.00 C ATOM 1543 OE1 GLU A 82 89.548 -19.615 3.427 1.00 0.00 O ATOM 1544 OE2 GLU A 82 90.120 -17.500 3.489 1.00 0.00 O ATOM 0 H GLU A 82 87.477 -16.026 -0.138 1.00 0.00 H new ATOM 0 HA GLU A 82 87.632 -18.933 -0.713 1.00 0.00 H new ATOM 0 HB2 GLU A 82 87.330 -17.450 1.916 1.00 0.00 H new ATOM 0 HB3 GLU A 82 87.277 -19.191 1.718 1.00 0.00 H new ATOM 0 HG2 GLU A 82 89.603 -19.173 0.867 1.00 0.00 H new ATOM 0 HG3 GLU A 82 89.659 -17.430 1.039 1.00 0.00 H new ATOM 1551 N PRO A 83 85.111 -19.261 -0.433 1.00 0.00 N ATOM 1552 CA PRO A 83 83.658 -19.375 -0.586 1.00 0.00 C ATOM 1553 C PRO A 83 82.899 -18.762 0.584 1.00 0.00 C ATOM 1554 O PRO A 83 83.004 -19.228 1.722 1.00 0.00 O ATOM 1555 CB PRO A 83 83.417 -20.884 -0.650 1.00 0.00 C ATOM 1556 CG PRO A 83 84.707 -21.457 -1.121 1.00 0.00 C ATOM 1557 CD PRO A 83 85.782 -20.568 -0.562 1.00 0.00 C ATOM 0 HA PRO A 83 83.302 -18.839 -1.466 1.00 0.00 H new ATOM 0 HB2 PRO A 83 83.141 -21.282 0.326 1.00 0.00 H new ATOM 0 HB3 PRO A 83 82.604 -21.126 -1.334 1.00 0.00 H new ATOM 0 HG2 PRO A 83 84.829 -22.483 -0.773 1.00 0.00 H new ATOM 0 HG3 PRO A 83 84.748 -21.483 -2.210 1.00 0.00 H new ATOM 0 HD2 PRO A 83 86.144 -20.931 0.400 1.00 0.00 H new ATOM 0 HD3 PRO A 83 86.644 -20.513 -1.227 1.00 0.00 H new ATOM 1565 N GLY A 84 82.174 -17.685 0.303 1.00 0.00 N ATOM 1566 CA GLY A 84 81.361 -17.043 1.317 1.00 0.00 C ATOM 1567 C GLY A 84 82.154 -16.092 2.195 1.00 0.00 C ATOM 1568 O GLY A 84 81.578 -15.283 2.923 1.00 0.00 O ATOM 0 H GLY A 84 82.136 -17.243 -0.616 1.00 0.00 H new ATOM 0 HA2 GLY A 84 80.552 -16.495 0.834 1.00 0.00 H new ATOM 0 HA3 GLY A 84 80.899 -17.807 1.942 1.00 0.00 H new ATOM 1572 N GLN A 85 83.472 -16.174 2.118 1.00 0.00 N ATOM 1573 CA GLN A 85 84.332 -15.371 2.964 1.00 0.00 C ATOM 1574 C GLN A 85 84.843 -14.165 2.185 1.00 0.00 C ATOM 1575 O GLN A 85 85.809 -14.263 1.424 1.00 0.00 O ATOM 1576 CB GLN A 85 85.503 -16.208 3.479 1.00 0.00 C ATOM 1577 CG GLN A 85 86.095 -15.706 4.786 1.00 0.00 C ATOM 1578 CD GLN A 85 85.123 -15.825 5.948 1.00 0.00 C ATOM 1579 OE1 GLN A 85 85.054 -16.857 6.614 1.00 0.00 O ATOM 1580 NE2 GLN A 85 84.377 -14.765 6.215 1.00 0.00 N ATOM 0 H GLN A 85 83.969 -16.791 1.475 1.00 0.00 H new ATOM 0 HA GLN A 85 83.758 -15.020 3.821 1.00 0.00 H new ATOM 0 HB2 GLN A 85 85.169 -17.237 3.615 1.00 0.00 H new ATOM 0 HB3 GLN A 85 86.286 -16.225 2.720 1.00 0.00 H new ATOM 0 HG2 GLN A 85 86.999 -16.272 5.013 1.00 0.00 H new ATOM 0 HG3 GLN A 85 86.392 -14.664 4.670 1.00 0.00 H new ATOM 0 HE21 GLN A 85 84.460 -13.925 5.642 1.00 0.00 H new ATOM 0 HE22 GLN A 85 83.719 -14.788 6.994 1.00 0.00 H new ATOM 1589 N PHE A 86 84.170 -13.037 2.362 1.00 0.00 N ATOM 1590 CA PHE A 86 84.527 -11.817 1.656 1.00 0.00 C ATOM 1591 C PHE A 86 85.798 -11.218 2.239 1.00 0.00 C ATOM 1592 O PHE A 86 85.814 -10.750 3.377 1.00 0.00 O ATOM 1593 CB PHE A 86 83.381 -10.808 1.725 1.00 0.00 C ATOM 1594 CG PHE A 86 82.117 -11.300 1.082 1.00 0.00 C ATOM 1595 CD1 PHE A 86 81.955 -11.234 -0.292 1.00 0.00 C ATOM 1596 CD2 PHE A 86 81.091 -11.824 1.850 1.00 0.00 C ATOM 1597 CE1 PHE A 86 80.793 -11.684 -0.887 1.00 0.00 C ATOM 1598 CE2 PHE A 86 79.927 -12.277 1.261 1.00 0.00 C ATOM 1599 CZ PHE A 86 79.779 -12.207 -0.110 1.00 0.00 C ATOM 0 H PHE A 86 83.372 -12.942 2.990 1.00 0.00 H new ATOM 0 HA PHE A 86 84.710 -12.063 0.610 1.00 0.00 H new ATOM 0 HB2 PHE A 86 83.180 -10.568 2.769 1.00 0.00 H new ATOM 0 HB3 PHE A 86 83.691 -9.883 1.239 1.00 0.00 H new ATOM 0 HD1 PHE A 86 82.746 -10.826 -0.904 1.00 0.00 H new ATOM 0 HD2 PHE A 86 81.202 -11.879 2.923 1.00 0.00 H new ATOM 0 HE1 PHE A 86 80.678 -11.627 -1.959 1.00 0.00 H new ATOM 0 HE2 PHE A 86 79.135 -12.685 1.871 1.00 0.00 H new ATOM 0 HZ PHE A 86 78.870 -12.561 -0.574 1.00 0.00 H new ATOM 1609 N HIS A 87 86.857 -11.247 1.451 1.00 0.00 N ATOM 1610 CA HIS A 87 88.162 -10.779 1.900 1.00 0.00 C ATOM 1611 C HIS A 87 88.460 -9.406 1.316 1.00 0.00 C ATOM 1612 O HIS A 87 88.238 -9.165 0.131 1.00 0.00 O ATOM 1613 CB HIS A 87 89.244 -11.796 1.492 1.00 0.00 C ATOM 1614 CG HIS A 87 90.661 -11.352 1.738 1.00 0.00 C ATOM 1615 ND1 HIS A 87 91.305 -11.503 2.947 1.00 0.00 N ATOM 1616 CD2 HIS A 87 91.566 -10.777 0.905 1.00 0.00 C ATOM 1617 CE1 HIS A 87 92.539 -11.037 2.848 1.00 0.00 C ATOM 1618 NE2 HIS A 87 92.719 -10.594 1.621 1.00 0.00 N ATOM 0 H HIS A 87 86.842 -11.591 0.491 1.00 0.00 H new ATOM 0 HA HIS A 87 88.159 -10.689 2.986 1.00 0.00 H new ATOM 0 HB2 HIS A 87 89.071 -12.725 2.035 1.00 0.00 H new ATOM 0 HB3 HIS A 87 89.129 -12.020 0.432 1.00 0.00 H new ATOM 0 HD2 HIS A 87 91.406 -10.513 -0.130 1.00 0.00 H new ATOM 0 HE1 HIS A 87 93.274 -11.022 3.639 1.00 0.00 H new ATOM 0 HE2 HIS A 87 93.579 -10.181 1.261 1.00 0.00 H new ATOM 1627 N PHE A 88 88.965 -8.512 2.151 1.00 0.00 N ATOM 1628 CA PHE A 88 89.416 -7.215 1.681 1.00 0.00 C ATOM 1629 C PHE A 88 90.739 -7.410 0.968 1.00 0.00 C ATOM 1630 O PHE A 88 91.747 -7.719 1.598 1.00 0.00 O ATOM 1631 CB PHE A 88 89.589 -6.231 2.842 1.00 0.00 C ATOM 1632 CG PHE A 88 88.330 -5.967 3.618 1.00 0.00 C ATOM 1633 CD1 PHE A 88 87.365 -5.102 3.123 1.00 0.00 C ATOM 1634 CD2 PHE A 88 88.117 -6.570 4.846 1.00 0.00 C ATOM 1635 CE1 PHE A 88 86.212 -4.848 3.840 1.00 0.00 C ATOM 1636 CE2 PHE A 88 86.965 -6.318 5.569 1.00 0.00 C ATOM 1637 CZ PHE A 88 86.012 -5.455 5.064 1.00 0.00 C ATOM 0 H PHE A 88 89.072 -8.661 3.154 1.00 0.00 H new ATOM 0 HA PHE A 88 88.670 -6.795 1.006 1.00 0.00 H new ATOM 0 HB2 PHE A 88 90.347 -6.619 3.522 1.00 0.00 H new ATOM 0 HB3 PHE A 88 89.966 -5.286 2.450 1.00 0.00 H new ATOM 0 HD1 PHE A 88 87.517 -4.622 2.167 1.00 0.00 H new ATOM 0 HD2 PHE A 88 88.860 -7.246 5.244 1.00 0.00 H new ATOM 0 HE1 PHE A 88 85.467 -4.175 3.443 1.00 0.00 H new ATOM 0 HE2 PHE A 88 86.811 -6.795 6.526 1.00 0.00 H new ATOM 0 HZ PHE A 88 85.112 -5.255 5.626 1.00 0.00 H new ATOM 1647 N ILE A 89 90.738 -7.245 -0.341 1.00 0.00 N ATOM 1648 CA ILE A 89 91.892 -7.612 -1.133 1.00 0.00 C ATOM 1649 C ILE A 89 92.613 -6.373 -1.636 1.00 0.00 C ATOM 1650 O ILE A 89 92.055 -5.543 -2.357 1.00 0.00 O ATOM 1651 CB ILE A 89 91.503 -8.546 -2.308 1.00 0.00 C ATOM 1652 CG1 ILE A 89 92.733 -8.904 -3.146 1.00 0.00 C ATOM 1653 CG2 ILE A 89 90.428 -7.914 -3.182 1.00 0.00 C ATOM 1654 CD1 ILE A 89 92.457 -9.927 -4.229 1.00 0.00 C ATOM 0 H ILE A 89 89.957 -6.862 -0.873 1.00 0.00 H new ATOM 0 HA ILE A 89 92.574 -8.167 -0.489 1.00 0.00 H new ATOM 0 HB ILE A 89 91.095 -9.463 -1.882 1.00 0.00 H new ATOM 0 HG12 ILE A 89 93.124 -7.997 -3.607 1.00 0.00 H new ATOM 0 HG13 ILE A 89 93.512 -9.287 -2.487 1.00 0.00 H new ATOM 0 HG21 ILE A 89 90.176 -8.593 -3.997 1.00 0.00 H new ATOM 0 HG22 ILE A 89 89.538 -7.721 -2.582 1.00 0.00 H new ATOM 0 HG23 ILE A 89 90.799 -6.975 -3.593 1.00 0.00 H new ATOM 0 HD11 ILE A 89 93.375 -10.130 -4.780 1.00 0.00 H new ATOM 0 HD12 ILE A 89 92.095 -10.849 -3.775 1.00 0.00 H new ATOM 0 HD13 ILE A 89 91.702 -9.539 -4.912 1.00 0.00 H new ATOM 1666 N PHE A 90 93.855 -6.244 -1.207 1.00 0.00 N ATOM 1667 CA PHE A 90 94.667 -5.094 -1.540 1.00 0.00 C ATOM 1668 C PHE A 90 95.561 -5.415 -2.729 1.00 0.00 C ATOM 1669 O PHE A 90 96.589 -6.082 -2.591 1.00 0.00 O ATOM 1670 CB PHE A 90 95.512 -4.677 -0.332 1.00 0.00 C ATOM 1671 CG PHE A 90 94.704 -4.382 0.904 1.00 0.00 C ATOM 1672 CD1 PHE A 90 94.301 -5.408 1.746 1.00 0.00 C ATOM 1673 CD2 PHE A 90 94.354 -3.082 1.227 1.00 0.00 C ATOM 1674 CE1 PHE A 90 93.564 -5.142 2.884 1.00 0.00 C ATOM 1675 CE2 PHE A 90 93.618 -2.809 2.365 1.00 0.00 C ATOM 1676 CZ PHE A 90 93.222 -3.841 3.194 1.00 0.00 C ATOM 0 H PHE A 90 94.326 -6.933 -0.620 1.00 0.00 H new ATOM 0 HA PHE A 90 94.013 -4.264 -1.809 1.00 0.00 H new ATOM 0 HB2 PHE A 90 96.224 -5.471 -0.108 1.00 0.00 H new ATOM 0 HB3 PHE A 90 96.092 -3.793 -0.595 1.00 0.00 H new ATOM 0 HD1 PHE A 90 94.567 -6.428 1.509 1.00 0.00 H new ATOM 0 HD2 PHE A 90 94.660 -2.271 0.582 1.00 0.00 H new ATOM 0 HE1 PHE A 90 93.256 -5.951 3.530 1.00 0.00 H new ATOM 0 HE2 PHE A 90 93.353 -1.790 2.606 1.00 0.00 H new ATOM 0 HZ PHE A 90 92.646 -3.630 4.083 1.00 0.00 H new ATOM 1686 N LEU A 91 95.146 -4.972 -3.903 1.00 0.00 N ATOM 1687 CA LEU A 91 95.908 -5.202 -5.116 1.00 0.00 C ATOM 1688 C LEU A 91 97.017 -4.172 -5.241 1.00 0.00 C ATOM 1689 O LEU A 91 96.850 -3.121 -5.862 1.00 0.00 O ATOM 1690 CB LEU A 91 94.994 -5.166 -6.339 1.00 0.00 C ATOM 1691 CG LEU A 91 93.915 -6.248 -6.355 1.00 0.00 C ATOM 1692 CD1 LEU A 91 92.906 -5.988 -7.461 1.00 0.00 C ATOM 1693 CD2 LEU A 91 94.545 -7.623 -6.523 1.00 0.00 C ATOM 0 H LEU A 91 94.281 -4.449 -4.041 1.00 0.00 H new ATOM 0 HA LEU A 91 96.361 -6.192 -5.062 1.00 0.00 H new ATOM 0 HB2 LEU A 91 94.512 -4.189 -6.388 1.00 0.00 H new ATOM 0 HB3 LEU A 91 95.605 -5.266 -7.236 1.00 0.00 H new ATOM 0 HG LEU A 91 93.389 -6.220 -5.401 1.00 0.00 H new ATOM 0 HD11 LEU A 91 92.148 -6.771 -7.453 1.00 0.00 H new ATOM 0 HD12 LEU A 91 92.431 -5.021 -7.300 1.00 0.00 H new ATOM 0 HD13 LEU A 91 93.415 -5.986 -8.425 1.00 0.00 H new ATOM 0 HD21 LEU A 91 93.763 -8.383 -6.532 1.00 0.00 H new ATOM 0 HD22 LEU A 91 95.097 -7.658 -7.462 1.00 0.00 H new ATOM 0 HD23 LEU A 91 95.227 -7.814 -5.695 1.00 0.00 H new ATOM 1705 N ASN A 92 98.129 -4.469 -4.599 1.00 0.00 N ATOM 1706 CA ASN A 92 99.296 -3.601 -4.625 1.00 0.00 C ATOM 1707 C ASN A 92 100.335 -4.138 -5.592 1.00 0.00 C ATOM 1708 O ASN A 92 100.776 -5.279 -5.465 1.00 0.00 O ATOM 1709 CB ASN A 92 99.919 -3.487 -3.231 1.00 0.00 C ATOM 1710 CG ASN A 92 99.080 -2.664 -2.274 1.00 0.00 C ATOM 1711 OD1 ASN A 92 98.160 -3.176 -1.645 1.00 0.00 O ATOM 1712 ND2 ASN A 92 99.407 -1.388 -2.143 1.00 0.00 N ATOM 0 H ASN A 92 98.252 -5.316 -4.045 1.00 0.00 H new ATOM 0 HA ASN A 92 98.970 -2.614 -4.953 1.00 0.00 H new ATOM 0 HB2 ASN A 92 100.057 -4.486 -2.818 1.00 0.00 H new ATOM 0 HB3 ASN A 92 100.909 -3.038 -3.317 1.00 0.00 H new ATOM 0 HD21 ASN A 92 98.886 -0.792 -1.500 1.00 0.00 H new ATOM 0 HD22 ASN A 92 100.180 -1.001 -2.685 1.00 0.00 H new