USER MOD reduce.3.24.130724 H: found=0, std=0, add=357, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 356 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 51 SER OG : rot 76:sc= 1.8 USER MOD Set 1.2: A 56 LYS NZ :NH3+ -171:sc= 0.656 (180deg=0) USER MOD Single : A 27 MET CE :methyl -170:sc= 0 (180deg=-0.047) USER MOD Single : A 31 ASN : amide:sc= -0.517 K(o=-0.52,f=-5.8!) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc=-0.00465 K(o=-0.0047,f=-2.9!) USER MOD Single : A 58 SER OG : rot 180:sc=-0.000864 USER MOD ----------------------------------------------------------------- ATOM 272 N PRO A 21 30.524 28.983 -7.714 1.00 25.00 N ATOM 273 CA PRO A 21 30.471 29.318 -6.288 1.00 25.00 C ATOM 274 C PRO A 21 30.798 30.776 -6.014 1.00 25.00 C ATOM 275 O PRO A 21 30.306 31.345 -5.060 1.00 25.00 O ATOM 276 CB PRO A 21 31.541 28.401 -5.679 1.00 25.00 C ATOM 277 CG PRO A 21 32.436 28.091 -6.802 1.00 25.00 C ATOM 278 CD PRO A 21 31.553 27.964 -7.978 1.00 25.00 C ATOM 0 HA PRO A 21 29.474 29.177 -5.872 1.00 25.00 H new ATOM 0 HB2 PRO A 21 32.076 28.897 -4.869 1.00 25.00 H new ATOM 0 HB3 PRO A 21 31.099 27.496 -5.261 1.00 25.00 H new ATOM 0 HG2 PRO A 21 33.174 28.880 -6.947 1.00 25.00 H new ATOM 0 HG3 PRO A 21 32.988 27.168 -6.623 1.00 25.00 H new ATOM 0 HD2 PRO A 21 32.086 28.157 -8.909 1.00 25.00 H new ATOM 0 HD3 PRO A 21 31.124 26.965 -8.058 1.00 25.00 H new ATOM 286 N ALA A 22 31.600 31.393 -6.871 1.00 25.00 N ATOM 287 CA ALA A 22 31.957 32.797 -6.701 1.00 25.00 C ATOM 288 C ALA A 22 30.723 33.701 -6.784 1.00 25.00 C ATOM 289 O ALA A 22 30.608 34.663 -6.027 1.00 25.00 O ATOM 290 CB ALA A 22 32.988 33.197 -7.761 1.00 25.00 C ATOM 0 H ALA A 22 32.015 30.946 -7.689 1.00 25.00 H new ATOM 0 HA ALA A 22 32.391 32.925 -5.709 1.00 25.00 H new ATOM 0 HB1 ALA A 22 33.254 34.246 -7.633 1.00 25.00 H new ATOM 0 HB2 ALA A 22 33.880 32.581 -7.651 1.00 25.00 H new ATOM 0 HB3 ALA A 22 32.565 33.049 -8.754 1.00 25.00 H new ATOM 296 N LEU A 23 29.810 33.380 -7.694 1.00 25.00 N ATOM 297 CA LEU A 23 28.601 34.182 -7.883 1.00 25.00 C ATOM 298 C LEU A 23 27.603 33.891 -6.776 1.00 25.00 C ATOM 299 O LEU A 23 26.945 34.789 -6.277 1.00 25.00 O ATOM 300 CB LEU A 23 27.941 33.878 -9.236 1.00 25.00 C ATOM 301 CG LEU A 23 28.781 34.081 -10.511 1.00 25.00 C ATOM 302 CD1 LEU A 23 27.924 33.736 -11.733 1.00 25.00 C ATOM 303 CD2 LEU A 23 29.319 35.492 -10.656 1.00 25.00 C ATOM 0 H LEU A 23 29.881 32.572 -8.313 1.00 25.00 H new ATOM 0 HA LEU A 23 28.893 35.232 -7.857 1.00 25.00 H new ATOM 0 HB2 LEU A 23 27.605 32.841 -9.219 1.00 25.00 H new ATOM 0 HB3 LEU A 23 27.050 34.500 -9.320 1.00 25.00 H new ATOM 0 HG LEU A 23 29.645 33.421 -10.436 1.00 25.00 H new ATOM 0 HD11 LEU A 23 28.511 33.877 -12.641 1.00 25.00 H new ATOM 0 HD12 LEU A 23 27.600 32.697 -11.668 1.00 25.00 H new ATOM 0 HD13 LEU A 23 27.051 34.388 -11.761 1.00 25.00 H new ATOM 0 HD21 LEU A 23 29.901 35.567 -11.574 1.00 25.00 H new ATOM 0 HD22 LEU A 23 28.488 36.196 -10.695 1.00 25.00 H new ATOM 0 HD23 LEU A 23 29.955 35.728 -9.803 1.00 25.00 H new ATOM 315 N LEU A 24 27.494 32.631 -6.383 1.00 25.00 N ATOM 316 CA LEU A 24 26.559 32.259 -5.325 1.00 25.00 C ATOM 317 C LEU A 24 26.995 32.859 -3.990 1.00 25.00 C ATOM 318 O LEU A 24 26.179 33.375 -3.247 1.00 25.00 O ATOM 319 CB LEU A 24 26.448 30.737 -5.228 1.00 25.00 C ATOM 320 CG LEU A 24 25.446 30.182 -4.200 1.00 25.00 C ATOM 321 CD1 LEU A 24 24.074 30.857 -4.270 1.00 25.00 C ATOM 322 CD2 LEU A 24 25.284 28.689 -4.424 1.00 25.00 C ATOM 0 H LEU A 24 28.032 31.857 -6.772 1.00 25.00 H new ATOM 0 HA LEU A 24 25.576 32.660 -5.570 1.00 25.00 H new ATOM 0 HB2 LEU A 24 26.176 30.352 -6.211 1.00 25.00 H new ATOM 0 HB3 LEU A 24 27.434 30.338 -4.992 1.00 25.00 H new ATOM 0 HG LEU A 24 25.851 30.391 -3.210 1.00 25.00 H new ATOM 0 HD11 LEU A 24 23.415 30.420 -3.520 1.00 25.00 H new ATOM 0 HD12 LEU A 24 24.184 31.925 -4.079 1.00 25.00 H new ATOM 0 HD13 LEU A 24 23.645 30.708 -5.261 1.00 25.00 H new ATOM 0 HD21 LEU A 24 24.575 28.287 -3.700 1.00 25.00 H new ATOM 0 HD22 LEU A 24 24.912 28.511 -5.433 1.00 25.00 H new ATOM 0 HD23 LEU A 24 26.248 28.196 -4.300 1.00 25.00 H new ATOM 334 N ARG A 25 28.296 32.852 -3.732 1.00 25.00 N ATOM 335 CA ARG A 25 28.871 33.493 -2.547 1.00 25.00 C ATOM 336 C ARG A 25 28.477 34.963 -2.530 1.00 25.00 C ATOM 337 O ARG A 25 28.050 35.483 -1.513 1.00 25.00 O ATOM 338 CB ARG A 25 30.403 33.320 -2.609 1.00 25.00 C ATOM 339 CG ARG A 25 31.225 33.948 -1.484 1.00 25.00 C ATOM 340 CD ARG A 25 31.614 35.399 -1.766 1.00 25.00 C ATOM 341 NE ARG A 25 32.381 35.571 -3.012 1.00 25.00 N ATOM 342 CZ ARG A 25 33.697 35.719 -3.096 1.00 25.00 C ATOM 343 NH1 ARG A 25 34.486 35.705 -2.049 1.00 25.00 N ATOM 344 NH2 ARG A 25 34.232 35.888 -4.273 1.00 25.00 N ATOM 0 H ARG A 25 28.986 32.403 -4.335 1.00 25.00 H new ATOM 0 HA ARG A 25 28.497 33.038 -1.630 1.00 25.00 H new ATOM 0 HB2 ARG A 25 30.621 32.252 -2.631 1.00 25.00 H new ATOM 0 HB3 ARG A 25 30.752 33.736 -3.554 1.00 25.00 H new ATOM 0 HG2 ARG A 25 30.654 33.905 -0.557 1.00 25.00 H new ATOM 0 HG3 ARG A 25 32.129 33.359 -1.330 1.00 25.00 H new ATOM 0 HD2 ARG A 25 30.710 36.005 -1.819 1.00 25.00 H new ATOM 0 HD3 ARG A 25 32.203 35.778 -0.931 1.00 25.00 H new ATOM 0 HE ARG A 25 31.855 35.577 -3.886 1.00 25.00 H new ATOM 0 HH11 ARG A 25 34.094 35.576 -1.116 1.00 25.00 H new ATOM 0 HH12 ARG A 25 35.492 35.823 -2.167 1.00 25.00 H new ATOM 0 HH21 ARG A 25 33.641 35.904 -5.104 1.00 25.00 H new ATOM 0 HH22 ARG A 25 35.241 36.004 -4.362 1.00 25.00 H new ATOM 358 N ASP A 26 28.612 35.622 -3.667 1.00 25.00 N ATOM 359 CA ASP A 26 28.277 37.042 -3.772 1.00 25.00 C ATOM 360 C ASP A 26 26.782 37.294 -3.538 1.00 25.00 C ATOM 361 O ASP A 26 26.406 38.152 -2.743 1.00 25.00 O ATOM 362 CB ASP A 26 28.682 37.561 -5.151 1.00 25.00 C ATOM 363 CG ASP A 26 28.669 39.068 -5.226 1.00 25.00 C ATOM 364 OD1 ASP A 26 29.648 39.684 -4.755 1.00 25.00 O ATOM 365 OD2 ASP A 26 27.714 39.635 -5.791 1.00 25.00 O ATOM 0 H ASP A 26 28.950 35.203 -4.533 1.00 25.00 H new ATOM 0 HA ASP A 26 28.826 37.576 -2.997 1.00 25.00 H new ATOM 0 HB2 ASP A 26 29.680 37.197 -5.394 1.00 25.00 H new ATOM 0 HB3 ASP A 26 28.003 37.157 -5.902 1.00 25.00 H new ATOM 370 N MET A 27 25.935 36.499 -4.180 1.00 25.00 N ATOM 371 CA MET A 27 24.481 36.633 -4.027 1.00 25.00 C ATOM 372 C MET A 27 24.046 36.394 -2.595 1.00 25.00 C ATOM 373 O MET A 27 23.187 37.091 -2.080 1.00 25.00 O ATOM 374 CB MET A 27 23.759 35.632 -4.927 1.00 25.00 C ATOM 375 CG MET A 27 22.256 35.857 -4.984 1.00 25.00 C ATOM 376 SD MET A 27 21.414 34.675 -6.057 1.00 25.00 S ATOM 377 CE MET A 27 21.209 33.263 -4.941 1.00 25.00 C ATOM 0 H MET A 27 26.224 35.753 -4.813 1.00 25.00 H new ATOM 0 HA MET A 27 24.221 37.653 -4.311 1.00 25.00 H new ATOM 0 HB2 MET A 27 24.169 35.697 -5.935 1.00 25.00 H new ATOM 0 HB3 MET A 27 23.956 34.622 -4.568 1.00 25.00 H new ATOM 0 HG2 MET A 27 21.844 35.785 -3.978 1.00 25.00 H new ATOM 0 HG3 MET A 27 22.058 36.868 -5.338 1.00 25.00 H new ATOM 0 HE1 MET A 27 20.867 32.397 -5.508 1.00 25.00 H new ATOM 0 HE2 MET A 27 22.163 33.032 -4.467 1.00 25.00 H new ATOM 0 HE3 MET A 27 20.473 33.508 -4.175 1.00 25.00 H new ATOM 387 N LEU A 28 24.634 35.399 -1.956 1.00 25.00 N ATOM 388 CA LEU A 28 24.287 35.064 -0.582 1.00 25.00 C ATOM 389 C LEU A 28 24.651 36.192 0.362 1.00 25.00 C ATOM 390 O LEU A 28 23.876 36.543 1.233 1.00 25.00 O ATOM 391 CB LEU A 28 25.006 33.803 -0.158 1.00 25.00 C ATOM 392 CG LEU A 28 24.253 32.537 -0.556 1.00 25.00 C ATOM 393 CD1 LEU A 28 25.206 31.391 -0.538 1.00 25.00 C ATOM 394 CD2 LEU A 28 23.093 32.281 0.394 1.00 25.00 C ATOM 0 H LEU A 28 25.356 34.806 -2.365 1.00 25.00 H new ATOM 0 HA LEU A 28 23.210 34.905 -0.537 1.00 25.00 H new ATOM 0 HB2 LEU A 28 25.999 33.787 -0.607 1.00 25.00 H new ATOM 0 HB3 LEU A 28 25.145 33.814 0.923 1.00 25.00 H new ATOM 0 HG LEU A 28 23.840 32.657 -1.558 1.00 25.00 H new ATOM 0 HD11 LEU A 28 24.682 30.478 -0.821 1.00 25.00 H new ATOM 0 HD12 LEU A 28 26.015 31.579 -1.244 1.00 25.00 H new ATOM 0 HD13 LEU A 28 25.619 31.277 0.464 1.00 25.00 H new ATOM 0 HD21 LEU A 28 22.569 31.374 0.093 1.00 25.00 H new ATOM 0 HD22 LEU A 28 23.473 32.160 1.408 1.00 25.00 H new ATOM 0 HD23 LEU A 28 22.404 33.125 0.363 1.00 25.00 H new ATOM 406 N LEU A 29 25.821 36.781 0.167 1.00 25.00 N ATOM 407 CA LEU A 29 26.253 37.899 1.013 1.00 25.00 C ATOM 408 C LEU A 29 25.319 39.086 0.829 1.00 25.00 C ATOM 409 O LEU A 29 25.006 39.801 1.778 1.00 25.00 O ATOM 410 CB LEU A 29 27.679 38.322 0.654 1.00 25.00 C ATOM 411 CG LEU A 29 28.790 37.369 1.109 1.00 25.00 C ATOM 412 CD1 LEU A 29 30.063 37.697 0.354 1.00 25.00 C ATOM 413 CD2 LEU A 29 29.038 37.459 2.613 1.00 25.00 C ATOM 0 H LEU A 29 26.486 36.513 -0.558 1.00 25.00 H new ATOM 0 HA LEU A 29 26.227 37.571 2.052 1.00 25.00 H new ATOM 0 HB2 LEU A 29 27.743 38.435 -0.428 1.00 25.00 H new ATOM 0 HB3 LEU A 29 27.867 39.304 1.089 1.00 25.00 H new ATOM 0 HG LEU A 29 28.474 36.348 0.893 1.00 25.00 H new ATOM 0 HD11 LEU A 29 30.859 37.023 0.672 1.00 25.00 H new ATOM 0 HD12 LEU A 29 29.892 37.578 -0.716 1.00 25.00 H new ATOM 0 HD13 LEU A 29 30.355 38.726 0.562 1.00 25.00 H new ATOM 0 HD21 LEU A 29 29.833 36.767 2.893 1.00 25.00 H new ATOM 0 HD22 LEU A 29 29.333 38.476 2.873 1.00 25.00 H new ATOM 0 HD23 LEU A 29 28.125 37.198 3.149 1.00 25.00 H new ATOM 425 N ALA A 30 24.862 39.273 -0.397 1.00 25.00 N ATOM 426 CA ALA A 30 23.953 40.360 -0.730 1.00 25.00 C ATOM 427 C ALA A 30 22.507 40.077 -0.292 1.00 25.00 C ATOM 428 O ALA A 30 21.661 40.972 -0.339 1.00 25.00 O ATOM 429 CB ALA A 30 24.002 40.616 -2.244 1.00 25.00 C ATOM 0 H ALA A 30 25.109 38.679 -1.188 1.00 25.00 H new ATOM 0 HA ALA A 30 24.282 41.244 -0.184 1.00 25.00 H new ATOM 0 HB1 ALA A 30 23.322 41.430 -2.498 1.00 25.00 H new ATOM 0 HB2 ALA A 30 25.017 40.887 -2.535 1.00 25.00 H new ATOM 0 HB3 ALA A 30 23.701 39.713 -2.776 1.00 25.00 H new ATOM 435 N ASN A 31 22.203 38.842 0.091 1.00 25.00 N ATOM 436 CA ASN A 31 20.830 38.461 0.407 1.00 25.00 C ATOM 437 C ASN A 31 20.652 38.051 1.872 1.00 25.00 C ATOM 438 O ASN A 31 20.970 36.924 2.255 1.00 25.00 O ATOM 439 CB ASN A 31 20.413 37.311 -0.494 1.00 25.00 C ATOM 440 CG ASN A 31 18.929 37.125 -0.532 1.00 25.00 C ATOM 441 OD1 ASN A 31 18.249 37.152 0.493 1.00 25.00 O ATOM 442 ND2 ASN A 31 18.406 36.960 -1.713 1.00 25.00 N ATOM 0 H ASN A 31 22.885 38.090 0.190 1.00 25.00 H new ATOM 0 HA ASN A 31 20.201 39.335 0.239 1.00 25.00 H new ATOM 0 HB2 ASN A 31 20.780 37.493 -1.504 1.00 25.00 H new ATOM 0 HB3 ASN A 31 20.883 36.391 -0.146 1.00 25.00 H new ATOM 0 HD21 ASN A 31 17.397 36.847 -1.813 1.00 25.00 H new ATOM 0 HD22 ASN A 31 19.005 36.944 -2.538 1.00 25.00 H new ATOM 449 N PRO A 32 20.100 38.946 2.708 1.00 25.00 N ATOM 450 CA PRO A 32 20.001 38.590 4.128 1.00 25.00 C ATOM 451 C PRO A 32 19.063 37.424 4.456 1.00 25.00 C ATOM 452 O PRO A 32 19.261 36.740 5.454 1.00 25.00 O ATOM 453 CB PRO A 32 19.516 39.895 4.770 1.00 25.00 C ATOM 454 CG PRO A 32 18.777 40.585 3.677 1.00 25.00 C ATOM 455 CD PRO A 32 19.592 40.307 2.458 1.00 25.00 C ATOM 0 HA PRO A 32 20.957 38.221 4.500 1.00 25.00 H new ATOM 0 HB2 PRO A 32 18.871 39.702 5.627 1.00 25.00 H new ATOM 0 HB3 PRO A 32 20.351 40.497 5.129 1.00 25.00 H new ATOM 0 HG2 PRO A 32 17.763 40.199 3.575 1.00 25.00 H new ATOM 0 HG3 PRO A 32 18.693 41.655 3.866 1.00 25.00 H new ATOM 0 HD2 PRO A 32 18.991 40.354 1.550 1.00 25.00 H new ATOM 0 HD3 PRO A 32 20.403 41.026 2.341 1.00 25.00 H new ATOM 463 N HIS A 33 18.053 37.178 3.633 1.00 25.00 N ATOM 464 CA HIS A 33 17.138 36.061 3.878 1.00 25.00 C ATOM 465 C HIS A 33 17.789 34.734 3.500 1.00 25.00 C ATOM 466 O HIS A 33 17.664 33.732 4.198 1.00 25.00 O ATOM 467 CB HIS A 33 15.860 36.243 3.059 1.00 25.00 C ATOM 468 CG HIS A 33 14.833 35.182 3.311 1.00 25.00 C ATOM 469 ND1 HIS A 33 14.038 35.120 4.429 1.00 25.00 N ATOM 470 CD2 HIS A 33 14.471 34.102 2.561 1.00 25.00 C ATOM 471 CE1 HIS A 33 13.252 34.052 4.322 1.00 25.00 C ATOM 472 NE2 HIS A 33 13.468 33.400 3.199 1.00 25.00 N ATOM 0 H HIS A 33 17.844 37.726 2.799 1.00 25.00 H new ATOM 0 HA HIS A 33 16.897 36.048 4.941 1.00 25.00 H new ATOM 0 HB2 HIS A 33 15.428 37.217 3.287 1.00 25.00 H new ATOM 0 HB3 HIS A 33 16.114 36.247 1.999 1.00 25.00 H new ATOM 0 HD2 HIS A 33 14.905 33.835 1.609 1.00 25.00 H new ATOM 0 HE1 HIS A 33 12.526 33.756 5.065 1.00 25.00 H new ATOM 0 HE2 HIS A 33 12.996 32.557 2.871 1.00 25.00 H new ATOM 480 N GLU A 34 18.481 34.743 2.375 1.00 25.00 N ATOM 481 CA GLU A 34 19.082 33.533 1.821 1.00 25.00 C ATOM 482 C GLU A 34 20.266 33.119 2.681 1.00 25.00 C ATOM 483 O GLU A 34 20.477 31.950 2.958 1.00 25.00 O ATOM 484 CB GLU A 34 19.528 33.824 0.390 1.00 25.00 C ATOM 485 CG GLU A 34 18.449 33.627 -0.663 1.00 25.00 C ATOM 486 CD GLU A 34 17.979 32.186 -0.760 1.00 25.00 C ATOM 487 OE1 GLU A 34 16.753 31.974 -0.838 1.00 25.00 O ATOM 488 OE2 GLU A 34 18.830 31.270 -0.768 1.00 25.00 O ATOM 0 H GLU A 34 18.644 35.582 1.819 1.00 25.00 H new ATOM 0 HA GLU A 34 18.361 32.716 1.813 1.00 25.00 H new ATOM 0 HB2 GLU A 34 19.885 34.852 0.337 1.00 25.00 H new ATOM 0 HB3 GLU A 34 20.374 33.180 0.149 1.00 25.00 H new ATOM 0 HG2 GLU A 34 17.598 34.267 -0.429 1.00 25.00 H new ATOM 0 HG3 GLU A 34 18.831 33.946 -1.633 1.00 25.00 H new ATOM 495 N LEU A 35 21.007 34.095 3.174 1.00 25.00 N ATOM 496 CA LEU A 35 22.121 33.807 4.064 1.00 25.00 C ATOM 497 C LEU A 35 21.607 33.281 5.406 1.00 25.00 C ATOM 498 O LEU A 35 22.278 32.501 6.080 1.00 25.00 O ATOM 499 CB LEU A 35 23.005 35.036 4.179 1.00 25.00 C ATOM 500 CG LEU A 35 22.760 36.183 5.160 1.00 25.00 C ATOM 501 CD1 LEU A 35 22.977 35.854 6.628 1.00 25.00 C ATOM 502 CD2 LEU A 35 23.727 37.257 4.726 1.00 25.00 C ATOM 0 H LEU A 35 20.861 35.085 2.977 1.00 25.00 H new ATOM 0 HA LEU A 35 22.744 33.011 3.655 1.00 25.00 H new ATOM 0 HB2 LEU A 35 24.010 34.668 4.387 1.00 25.00 H new ATOM 0 HB3 LEU A 35 23.029 35.486 3.186 1.00 25.00 H new ATOM 0 HG LEU A 35 21.708 36.467 5.119 1.00 25.00 H new ATOM 0 HD11 LEU A 35 22.775 36.738 7.233 1.00 25.00 H new ATOM 0 HD12 LEU A 35 22.303 35.050 6.924 1.00 25.00 H new ATOM 0 HD13 LEU A 35 24.009 35.537 6.781 1.00 25.00 H new ATOM 0 HD21 LEU A 35 23.623 38.125 5.377 1.00 25.00 H new ATOM 0 HD22 LEU A 35 24.746 36.876 4.790 1.00 25.00 H new ATOM 0 HD23 LEU A 35 23.512 37.547 3.698 1.00 25.00 H new ATOM 514 N SER A 36 20.407 33.703 5.783 1.00 25.00 N ATOM 515 CA SER A 36 19.788 33.289 7.042 1.00 25.00 C ATOM 516 C SER A 36 19.297 31.853 6.967 1.00 25.00 C ATOM 517 O SER A 36 19.546 31.073 7.871 1.00 25.00 O ATOM 518 CB SER A 36 18.622 34.206 7.414 1.00 25.00 C ATOM 519 OG SER A 36 18.141 33.902 8.712 1.00 25.00 O ATOM 0 H SER A 36 19.834 34.340 5.229 1.00 25.00 H new ATOM 0 HA SER A 36 20.554 33.361 7.814 1.00 25.00 H new ATOM 0 HB2 SER A 36 18.944 35.247 7.374 1.00 25.00 H new ATOM 0 HB3 SER A 36 17.818 34.093 6.687 1.00 25.00 H new ATOM 0 HG SER A 36 17.396 34.500 8.933 1.00 25.00 H new ATOM 525 N LEU A 37 18.645 31.476 5.876 1.00 25.00 N ATOM 526 CA LEU A 37 18.182 30.095 5.727 1.00 25.00 C ATOM 527 C LEU A 37 19.363 29.191 5.646 1.00 25.00 C ATOM 528 O LEU A 37 19.332 28.050 6.056 1.00 25.00 O ATOM 529 CB LEU A 37 17.284 29.943 4.513 1.00 25.00 C ATOM 530 CG LEU A 37 17.735 29.981 3.047 1.00 25.00 C ATOM 531 CD1 LEU A 37 18.369 28.687 2.585 1.00 25.00 C ATOM 532 CD2 LEU A 37 16.512 30.276 2.184 1.00 25.00 C ATOM 0 H LEU A 37 18.426 32.090 5.092 1.00 25.00 H new ATOM 0 HA LEU A 37 17.584 29.822 6.597 1.00 25.00 H new ATOM 0 HB2 LEU A 37 16.777 28.987 4.640 1.00 25.00 H new ATOM 0 HB3 LEU A 37 16.526 30.721 4.608 1.00 25.00 H new ATOM 0 HG LEU A 37 18.497 30.754 2.952 1.00 25.00 H new ATOM 0 HD11 LEU A 37 18.666 28.780 1.540 1.00 25.00 H new ATOM 0 HD12 LEU A 37 19.248 28.474 3.194 1.00 25.00 H new ATOM 0 HD13 LEU A 37 17.651 27.873 2.687 1.00 25.00 H new ATOM 0 HD21 LEU A 37 16.806 30.308 1.135 1.00 25.00 H new ATOM 0 HD22 LEU A 37 15.768 29.493 2.328 1.00 25.00 H new ATOM 0 HD23 LEU A 37 16.087 31.238 2.472 1.00 25.00 H new ATOM 544 N LEU A 38 20.425 29.717 5.089 1.00 25.00 N ATOM 545 CA LEU A 38 21.630 28.958 4.946 1.00 25.00 C ATOM 546 C LEU A 38 22.267 28.635 6.290 1.00 25.00 C ATOM 547 O LEU A 38 22.613 27.499 6.539 1.00 25.00 O ATOM 548 CB LEU A 38 22.561 29.741 4.059 1.00 25.00 C ATOM 549 CG LEU A 38 23.813 28.972 3.627 1.00 25.00 C ATOM 550 CD1 LEU A 38 23.440 27.826 2.718 1.00 25.00 C ATOM 551 CD2 LEU A 38 24.806 29.882 2.936 1.00 25.00 C ATOM 0 H LEU A 38 20.474 30.670 4.728 1.00 25.00 H new ATOM 0 HA LEU A 38 21.405 27.993 4.492 1.00 25.00 H new ATOM 0 HB2 LEU A 38 22.017 30.056 3.169 1.00 25.00 H new ATOM 0 HB3 LEU A 38 22.867 30.647 4.583 1.00 25.00 H new ATOM 0 HG LEU A 38 24.286 28.574 4.525 1.00 25.00 H new ATOM 0 HD11 LEU A 38 24.341 27.290 2.420 1.00 25.00 H new ATOM 0 HD12 LEU A 38 22.771 27.146 3.245 1.00 25.00 H new ATOM 0 HD13 LEU A 38 22.938 28.213 1.831 1.00 25.00 H new ATOM 0 HD21 LEU A 38 25.683 29.306 2.642 1.00 25.00 H new ATOM 0 HD22 LEU A 38 24.344 30.318 2.050 1.00 25.00 H new ATOM 0 HD23 LEU A 38 25.106 30.678 3.618 1.00 25.00 H new ATOM 563 N LYS A 39 22.373 29.608 7.181 1.00 25.00 N ATOM 564 CA LYS A 39 22.894 29.324 8.534 1.00 25.00 C ATOM 565 C LYS A 39 21.919 28.500 9.365 1.00 25.00 C ATOM 566 O LYS A 39 22.336 27.769 10.251 1.00 25.00 O ATOM 567 CB LYS A 39 23.312 30.601 9.282 1.00 25.00 C ATOM 568 CG LYS A 39 22.234 31.681 9.374 1.00 25.00 C ATOM 569 CD LYS A 39 22.487 32.690 10.479 1.00 25.00 C ATOM 570 CE LYS A 39 23.624 33.638 10.122 1.00 25.00 C ATOM 571 NZ LYS A 39 23.791 34.678 11.191 1.00 25.00 N ATOM 0 H LYS A 39 22.116 30.581 7.012 1.00 25.00 H new ATOM 0 HA LYS A 39 23.792 28.724 8.389 1.00 25.00 H new ATOM 0 HB2 LYS A 39 23.618 30.328 10.292 1.00 25.00 H new ATOM 0 HB3 LYS A 39 24.186 31.024 8.787 1.00 25.00 H new ATOM 0 HG2 LYS A 39 22.172 32.205 8.420 1.00 25.00 H new ATOM 0 HG3 LYS A 39 21.267 31.206 9.540 1.00 25.00 H new ATOM 0 HD2 LYS A 39 21.579 33.263 10.664 1.00 25.00 H new ATOM 0 HD3 LYS A 39 22.727 32.165 11.404 1.00 25.00 H new ATOM 0 HE2 LYS A 39 24.551 33.077 10.003 1.00 25.00 H new ATOM 0 HE3 LYS A 39 23.418 34.119 9.166 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 24.570 35.318 10.934 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 22.911 35.224 11.285 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 24.008 34.214 12.096 1.00 25.00 H new ATOM 585 N GLU A 40 20.639 28.599 9.058 1.00 25.00 N ATOM 586 CA GLU A 40 19.610 27.825 9.747 1.00 25.00 C ATOM 587 C GLU A 40 19.653 26.354 9.311 1.00 25.00 C ATOM 588 O GLU A 40 19.668 25.446 10.137 1.00 25.00 O ATOM 589 CB GLU A 40 18.248 28.431 9.377 1.00 25.00 C ATOM 590 CG GLU A 40 17.017 27.737 9.940 1.00 25.00 C ATOM 591 CD GLU A 40 15.796 27.979 9.054 1.00 25.00 C ATOM 592 OE1 GLU A 40 14.980 27.046 8.901 1.00 25.00 O ATOM 593 OE2 GLU A 40 15.726 29.038 8.397 1.00 25.00 O ATOM 0 H GLU A 40 20.279 29.214 8.328 1.00 25.00 H new ATOM 0 HA GLU A 40 19.776 27.862 10.824 1.00 25.00 H new ATOM 0 HB2 GLU A 40 18.236 29.469 9.709 1.00 25.00 H new ATOM 0 HB3 GLU A 40 18.165 28.443 8.290 1.00 25.00 H new ATOM 0 HG2 GLU A 40 17.205 26.666 10.022 1.00 25.00 H new ATOM 0 HG3 GLU A 40 16.818 28.103 10.947 1.00 25.00 H new ATOM 600 N ARG A 41 19.628 26.130 8.004 1.00 25.00 N ATOM 601 CA ARG A 41 19.465 24.777 7.446 1.00 25.00 C ATOM 602 C ARG A 41 20.745 24.083 7.017 1.00 25.00 C ATOM 603 O ARG A 41 20.807 22.860 6.950 1.00 25.00 O ATOM 604 CB ARG A 41 18.506 24.873 6.259 1.00 25.00 C ATOM 605 CG ARG A 41 17.196 25.511 6.690 1.00 25.00 C ATOM 606 CD ARG A 41 16.136 25.617 5.618 1.00 25.00 C ATOM 607 NE ARG A 41 15.003 26.348 6.202 1.00 25.00 N ATOM 608 CZ ARG A 41 13.905 26.741 5.577 1.00 25.00 C ATOM 609 NH1 ARG A 41 13.690 26.503 4.306 1.00 25.00 N ATOM 610 NH2 ARG A 41 13.011 27.391 6.264 1.00 25.00 N ATOM 0 H ARG A 41 19.718 26.864 7.302 1.00 25.00 H new ATOM 0 HA ARG A 41 19.077 24.155 8.253 1.00 25.00 H new ATOM 0 HB2 ARG A 41 18.960 25.462 5.462 1.00 25.00 H new ATOM 0 HB3 ARG A 41 18.318 23.879 5.853 1.00 25.00 H new ATOM 0 HG2 ARG A 41 16.789 24.936 7.522 1.00 25.00 H new ATOM 0 HG3 ARG A 41 17.407 26.512 7.067 1.00 25.00 H new ATOM 0 HD2 ARG A 41 16.523 26.141 4.744 1.00 25.00 H new ATOM 0 HD3 ARG A 41 15.825 24.627 5.284 1.00 25.00 H new ATOM 0 HE ARG A 41 15.070 26.577 7.194 1.00 25.00 H new ATOM 0 HH11 ARG A 41 14.384 25.996 3.758 1.00 25.00 H new ATOM 0 HH12 ARG A 41 12.828 26.825 3.865 1.00 25.00 H new ATOM 0 HH21 ARG A 41 13.168 27.583 7.253 1.00 25.00 H new ATOM 0 HH22 ARG A 41 12.153 27.709 5.813 1.00 25.00 H new ATOM 624 N ASN A 42 21.763 24.867 6.716 1.00 25.00 N ATOM 625 CA ASN A 42 23.071 24.332 6.297 1.00 25.00 C ATOM 626 C ASN A 42 24.267 25.009 6.984 1.00 25.00 C ATOM 627 O ASN A 42 25.085 25.662 6.317 1.00 25.00 O ATOM 628 CB ASN A 42 23.237 24.495 4.785 1.00 25.00 C ATOM 629 CG ASN A 42 24.287 23.579 4.220 1.00 25.00 C ATOM 630 OD1 ASN A 42 24.923 22.824 4.932 1.00 25.00 O ATOM 631 ND2 ASN A 42 24.468 23.631 2.935 1.00 25.00 N ATOM 0 H ASN A 42 21.721 25.886 6.750 1.00 25.00 H new ATOM 0 HA ASN A 42 23.072 23.283 6.593 1.00 25.00 H new ATOM 0 HB2 ASN A 42 22.284 24.297 4.294 1.00 25.00 H new ATOM 0 HB3 ASN A 42 23.502 25.528 4.561 1.00 25.00 H new ATOM 0 HD21 ASN A 42 25.161 23.027 2.493 1.00 25.00 H new ATOM 0 HD22 ASN A 42 23.917 24.276 2.368 1.00 25.00 H new ATOM 638 N PRO A 43 24.415 24.844 8.312 1.00 25.00 N ATOM 639 CA PRO A 43 25.547 25.540 8.942 1.00 25.00 C ATOM 640 C PRO A 43 26.975 25.305 8.382 1.00 25.00 C ATOM 641 O PRO A 43 27.753 26.260 8.352 1.00 25.00 O ATOM 642 CB PRO A 43 25.434 25.132 10.419 1.00 25.00 C ATOM 643 CG PRO A 43 24.583 23.907 10.430 1.00 25.00 C ATOM 644 CD PRO A 43 23.615 24.101 9.305 1.00 25.00 C ATOM 0 HA PRO A 43 25.455 26.606 8.736 1.00 25.00 H new ATOM 0 HB2 PRO A 43 26.416 24.931 10.847 1.00 25.00 H new ATOM 0 HB3 PRO A 43 24.984 25.928 11.013 1.00 25.00 H new ATOM 0 HG2 PRO A 43 25.182 23.008 10.285 1.00 25.00 H new ATOM 0 HG3 PRO A 43 24.065 23.794 11.382 1.00 25.00 H new ATOM 0 HD2 PRO A 43 23.259 23.150 8.908 1.00 25.00 H new ATOM 0 HD3 PRO A 43 22.736 24.664 9.620 1.00 25.00 H new ATOM 652 N PRO A 44 27.333 24.088 7.886 1.00 25.00 N ATOM 653 CA PRO A 44 28.712 24.067 7.364 1.00 25.00 C ATOM 654 C PRO A 44 28.950 24.910 6.099 1.00 25.00 C ATOM 655 O PRO A 44 30.024 25.480 5.927 1.00 25.00 O ATOM 656 CB PRO A 44 28.944 22.579 7.075 1.00 25.00 C ATOM 657 CG PRO A 44 27.616 22.053 6.776 1.00 25.00 C ATOM 658 CD PRO A 44 26.713 22.752 7.755 1.00 25.00 C ATOM 0 HA PRO A 44 29.400 24.513 8.082 1.00 25.00 H new ATOM 0 HB2 PRO A 44 29.625 22.439 6.235 1.00 25.00 H new ATOM 0 HB3 PRO A 44 29.388 22.073 7.932 1.00 25.00 H new ATOM 0 HG2 PRO A 44 27.327 22.264 5.747 1.00 25.00 H new ATOM 0 HG3 PRO A 44 27.579 20.971 6.902 1.00 25.00 H new ATOM 0 HD2 PRO A 44 25.690 22.817 7.385 1.00 25.00 H new ATOM 0 HD3 PRO A 44 26.674 22.230 8.711 1.00 25.00 H new ATOM 666 N LEU A 45 27.969 25.008 5.205 1.00 25.00 N ATOM 667 CA LEU A 45 28.142 25.860 4.026 1.00 25.00 C ATOM 668 C LEU A 45 27.997 27.305 4.461 1.00 25.00 C ATOM 669 O LEU A 45 28.644 28.203 3.928 1.00 25.00 O ATOM 670 CB LEU A 45 27.139 25.525 2.923 1.00 25.00 C ATOM 671 CG LEU A 45 27.322 26.289 1.592 1.00 25.00 C ATOM 672 CD1 LEU A 45 28.738 26.149 1.003 1.00 25.00 C ATOM 673 CD2 LEU A 45 26.304 25.772 0.576 1.00 25.00 C ATOM 0 H LEU A 45 27.072 24.526 5.267 1.00 25.00 H new ATOM 0 HA LEU A 45 29.132 25.687 3.605 1.00 25.00 H new ATOM 0 HB2 LEU A 45 27.197 24.456 2.717 1.00 25.00 H new ATOM 0 HB3 LEU A 45 26.135 25.723 3.299 1.00 25.00 H new ATOM 0 HG LEU A 45 27.167 27.347 1.805 1.00 25.00 H new ATOM 0 HD11 LEU A 45 28.801 26.708 0.070 1.00 25.00 H new ATOM 0 HD12 LEU A 45 29.467 26.542 1.711 1.00 25.00 H new ATOM 0 HD13 LEU A 45 28.950 25.097 0.811 1.00 25.00 H new ATOM 0 HD21 LEU A 45 26.427 26.306 -0.366 1.00 25.00 H new ATOM 0 HD22 LEU A 45 26.463 24.706 0.412 1.00 25.00 H new ATOM 0 HD23 LEU A 45 25.296 25.934 0.957 1.00 25.00 H new ATOM 685 N ALA A 46 27.154 27.530 5.454 1.00 25.00 N ATOM 686 CA ALA A 46 26.957 28.873 5.955 1.00 25.00 C ATOM 687 C ALA A 46 28.222 29.476 6.540 1.00 25.00 C ATOM 688 O ALA A 46 28.569 30.571 6.168 1.00 25.00 O ATOM 689 CB ALA A 46 25.885 28.884 6.978 1.00 25.00 C ATOM 0 H ALA A 46 26.604 26.810 5.922 1.00 25.00 H new ATOM 0 HA ALA A 46 26.669 29.486 5.101 1.00 25.00 H new ATOM 0 HB1 ALA A 46 25.745 29.900 7.348 1.00 25.00 H new ATOM 0 HB2 ALA A 46 24.955 28.528 6.534 1.00 25.00 H new ATOM 0 HB3 ALA A 46 26.165 28.232 7.805 1.00 25.00 H new ATOM 695 N GLU A 47 28.919 28.778 7.430 1.00 25.00 N ATOM 696 CA GLU A 47 30.119 29.351 8.070 1.00 25.00 C ATOM 697 C GLU A 47 31.167 29.722 7.019 1.00 25.00 C ATOM 698 O GLU A 47 31.890 30.718 7.151 1.00 25.00 O ATOM 699 CB GLU A 47 30.721 28.396 9.117 1.00 25.00 C ATOM 700 CG GLU A 47 31.248 27.075 8.563 1.00 25.00 C ATOM 701 CD GLU A 47 32.082 26.320 9.573 1.00 25.00 C ATOM 702 OE1 GLU A 47 33.330 26.454 9.516 1.00 25.00 O ATOM 703 OE2 GLU A 47 31.512 25.593 10.410 1.00 25.00 O ATOM 0 H GLU A 47 28.687 27.830 7.727 1.00 25.00 H new ATOM 0 HA GLU A 47 29.808 30.257 8.591 1.00 25.00 H new ATOM 0 HB2 GLU A 47 31.536 28.909 9.627 1.00 25.00 H new ATOM 0 HB3 GLU A 47 29.961 28.180 9.868 1.00 25.00 H new ATOM 0 HG2 GLU A 47 30.408 26.454 8.252 1.00 25.00 H new ATOM 0 HG3 GLU A 47 31.847 27.270 7.674 1.00 25.00 H new ATOM 710 N ALA A 48 31.192 28.951 5.946 1.00 25.00 N ATOM 711 CA ALA A 48 32.047 29.201 4.825 1.00 25.00 C ATOM 712 C ALA A 48 31.707 30.533 4.167 1.00 25.00 C ATOM 713 O ALA A 48 32.588 31.337 3.869 1.00 25.00 O ATOM 714 CB ALA A 48 31.909 28.038 3.835 1.00 25.00 C ATOM 0 H ALA A 48 30.605 28.124 5.839 1.00 25.00 H new ATOM 0 HA ALA A 48 33.082 29.268 5.160 1.00 25.00 H new ATOM 0 HB1 ALA A 48 32.555 28.214 2.975 1.00 25.00 H new ATOM 0 HB2 ALA A 48 32.200 27.108 4.323 1.00 25.00 H new ATOM 0 HB3 ALA A 48 30.874 27.964 3.502 1.00 25.00 H new ATOM 720 N LEU A 49 30.419 30.772 3.991 1.00 25.00 N ATOM 721 CA LEU A 49 29.933 32.005 3.402 1.00 25.00 C ATOM 722 C LEU A 49 30.199 33.184 4.323 1.00 25.00 C ATOM 723 O LEU A 49 30.606 34.250 3.873 1.00 25.00 O ATOM 724 CB LEU A 49 28.423 31.868 3.149 1.00 25.00 C ATOM 725 CG LEU A 49 27.679 32.951 2.354 1.00 25.00 C ATOM 726 CD1 LEU A 49 27.256 34.131 3.188 1.00 25.00 C ATOM 727 CD2 LEU A 49 28.487 33.426 1.168 1.00 25.00 C ATOM 0 H LEU A 49 29.682 30.117 4.252 1.00 25.00 H new ATOM 0 HA LEU A 49 30.456 32.186 2.463 1.00 25.00 H new ATOM 0 HB2 LEU A 49 28.265 30.921 2.634 1.00 25.00 H new ATOM 0 HB3 LEU A 49 27.937 31.787 4.121 1.00 25.00 H new ATOM 0 HG LEU A 49 26.769 32.467 2.000 1.00 25.00 H new ATOM 0 HD11 LEU A 49 26.737 34.854 2.559 1.00 25.00 H new ATOM 0 HD12 LEU A 49 26.588 33.795 3.981 1.00 25.00 H new ATOM 0 HD13 LEU A 49 28.136 34.599 3.629 1.00 25.00 H new ATOM 0 HD21 LEU A 49 27.928 34.192 0.630 1.00 25.00 H new ATOM 0 HD22 LEU A 49 29.432 33.843 1.515 1.00 25.00 H new ATOM 0 HD23 LEU A 49 28.684 32.586 0.502 1.00 25.00 H new ATOM 739 N LEU A 50 29.957 32.995 5.615 1.00 25.00 N ATOM 740 CA LEU A 50 30.047 34.095 6.576 1.00 25.00 C ATOM 741 C LEU A 50 31.465 34.641 6.646 1.00 25.00 C ATOM 742 O LEU A 50 31.683 35.809 6.938 1.00 25.00 O ATOM 743 CB LEU A 50 29.657 33.652 8.001 1.00 25.00 C ATOM 744 CG LEU A 50 28.340 32.907 8.264 1.00 25.00 C ATOM 745 CD1 LEU A 50 28.064 32.850 9.746 1.00 25.00 C ATOM 746 CD2 LEU A 50 27.149 33.475 7.500 1.00 25.00 C ATOM 0 H LEU A 50 29.698 32.097 6.023 1.00 25.00 H new ATOM 0 HA LEU A 50 29.353 34.859 6.224 1.00 25.00 H new ATOM 0 HB2 LEU A 50 30.462 33.017 8.370 1.00 25.00 H new ATOM 0 HB3 LEU A 50 29.647 34.547 8.622 1.00 25.00 H new ATOM 0 HG LEU A 50 28.472 31.895 7.881 1.00 25.00 H new ATOM 0 HD11 LEU A 50 27.128 32.320 9.922 1.00 25.00 H new ATOM 0 HD12 LEU A 50 28.878 32.326 10.248 1.00 25.00 H new ATOM 0 HD13 LEU A 50 27.987 33.863 10.141 1.00 25.00 H new ATOM 0 HD21 LEU A 50 26.256 32.897 7.737 1.00 25.00 H new ATOM 0 HD22 LEU A 50 26.995 34.515 7.787 1.00 25.00 H new ATOM 0 HD23 LEU A 50 27.344 33.419 6.429 1.00 25.00 H new ATOM 758 N SER A 51 32.429 33.764 6.407 1.00 25.00 N ATOM 759 CA SER A 51 33.832 34.120 6.468 1.00 25.00 C ATOM 760 C SER A 51 34.265 34.980 5.281 1.00 25.00 C ATOM 761 O SER A 51 35.284 35.657 5.339 1.00 25.00 O ATOM 762 CB SER A 51 34.646 32.850 6.455 1.00 25.00 C ATOM 763 OG SER A 51 34.309 32.002 7.545 1.00 25.00 O ATOM 0 H SER A 51 32.257 32.788 6.166 1.00 25.00 H new ATOM 0 HA SER A 51 33.992 34.698 7.378 1.00 25.00 H new ATOM 0 HB2 SER A 51 34.481 32.321 5.517 1.00 25.00 H new ATOM 0 HB3 SER A 51 35.707 33.096 6.499 1.00 25.00 H new ATOM 0 HG SER A 51 33.456 31.556 7.361 1.00 25.00 H new ATOM 769 N GLY A 52 33.523 34.893 4.185 1.00 25.00 N ATOM 770 CA GLY A 52 33.843 35.644 2.979 1.00 25.00 C ATOM 771 C GLY A 52 34.810 34.908 2.070 1.00 25.00 C ATOM 772 O GLY A 52 34.865 35.165 0.863 1.00 25.00 O ATOM 0 H GLY A 52 32.692 34.307 4.107 1.00 25.00 H new ATOM 0 HA2 GLY A 52 32.924 35.853 2.432 1.00 25.00 H new ATOM 0 HA3 GLY A 52 34.274 36.606 3.258 1.00 25.00 H new ATOM 776 N ASP A 53 35.556 33.977 2.648 1.00 25.00 N ATOM 777 CA ASP A 53 36.533 33.173 1.915 1.00 25.00 C ATOM 778 C ASP A 53 35.883 32.355 0.808 1.00 25.00 C ATOM 779 O ASP A 53 35.082 31.457 1.074 1.00 25.00 O ATOM 780 CB ASP A 53 37.224 32.185 2.841 1.00 25.00 C ATOM 781 CG ASP A 53 38.327 31.436 2.145 1.00 25.00 C ATOM 782 OD1 ASP A 53 38.794 31.899 1.085 1.00 25.00 O ATOM 783 OD2 ASP A 53 38.661 30.331 2.604 1.00 25.00 O ATOM 0 H ASP A 53 35.503 33.755 3.642 1.00 25.00 H new ATOM 0 HA ASP A 53 37.244 33.881 1.490 1.00 25.00 H new ATOM 0 HB2 ASP A 53 37.633 32.718 3.699 1.00 25.00 H new ATOM 0 HB3 ASP A 53 36.491 31.476 3.226 1.00 25.00 H new ATOM 788 N LEU A 54 36.259 32.624 -0.431 1.00 25.00 N ATOM 789 CA LEU A 54 35.742 31.845 -1.541 1.00 25.00 C ATOM 790 C LEU A 54 36.267 30.424 -1.464 1.00 25.00 C ATOM 791 O LEU A 54 35.553 29.493 -1.774 1.00 25.00 O ATOM 792 CB LEU A 54 36.144 32.462 -2.883 1.00 25.00 C ATOM 793 CG LEU A 54 35.542 31.842 -4.165 1.00 25.00 C ATOM 794 CD1 LEU A 54 36.392 30.701 -4.734 1.00 25.00 C ATOM 795 CD2 LEU A 54 34.082 31.385 -3.996 1.00 25.00 C ATOM 0 H LEU A 54 36.911 33.365 -0.691 1.00 25.00 H new ATOM 0 HA LEU A 54 34.654 31.842 -1.472 1.00 25.00 H new ATOM 0 HB2 LEU A 54 35.874 33.518 -2.862 1.00 25.00 H new ATOM 0 HB3 LEU A 54 37.230 32.412 -2.964 1.00 25.00 H new ATOM 0 HG LEU A 54 35.548 32.658 -4.888 1.00 25.00 H new ATOM 0 HD11 LEU A 54 35.917 30.307 -5.633 1.00 25.00 H new ATOM 0 HD12 LEU A 54 37.385 31.076 -4.982 1.00 25.00 H new ATOM 0 HD13 LEU A 54 36.479 29.907 -3.992 1.00 25.00 H new ATOM 0 HD21 LEU A 54 33.723 30.960 -4.933 1.00 25.00 H new ATOM 0 HD22 LEU A 54 34.025 30.631 -3.211 1.00 25.00 H new ATOM 0 HD23 LEU A 54 33.462 32.240 -3.724 1.00 25.00 H new ATOM 807 N GLU A 55 37.513 30.251 -1.064 1.00 25.00 N ATOM 808 CA GLU A 55 38.118 28.921 -1.064 1.00 25.00 C ATOM 809 C GLU A 55 37.331 27.982 -0.166 1.00 25.00 C ATOM 810 O GLU A 55 36.885 26.924 -0.605 1.00 25.00 O ATOM 811 CB GLU A 55 39.572 28.979 -0.594 1.00 25.00 C ATOM 812 CG GLU A 55 40.461 29.892 -1.416 1.00 25.00 C ATOM 813 CD GLU A 55 40.850 29.281 -2.761 1.00 25.00 C ATOM 814 OE1 GLU A 55 42.038 28.949 -2.942 1.00 25.00 O ATOM 815 OE2 GLU A 55 39.964 29.146 -3.639 1.00 25.00 O ATOM 0 H GLU A 55 38.124 31.000 -0.738 1.00 25.00 H new ATOM 0 HA GLU A 55 38.097 28.545 -2.087 1.00 25.00 H new ATOM 0 HB2 GLU A 55 39.592 29.311 0.444 1.00 25.00 H new ATOM 0 HB3 GLU A 55 39.988 27.972 -0.615 1.00 25.00 H new ATOM 0 HG2 GLU A 55 39.946 30.837 -1.586 1.00 25.00 H new ATOM 0 HG3 GLU A 55 41.364 30.119 -0.850 1.00 25.00 H new ATOM 822 N LYS A 56 37.101 28.385 1.076 1.00 25.00 N ATOM 823 CA LYS A 56 36.316 27.556 1.993 1.00 25.00 C ATOM 824 C LYS A 56 34.881 27.435 1.494 1.00 25.00 C ATOM 825 O LYS A 56 34.291 26.373 1.611 1.00 25.00 O ATOM 826 CB LYS A 56 36.401 28.065 3.455 1.00 25.00 C ATOM 827 CG LYS A 56 35.470 29.101 3.866 1.00 25.00 C ATOM 828 CD LYS A 56 35.941 29.718 5.199 1.00 25.00 C ATOM 829 CE LYS A 56 35.460 28.938 6.439 1.00 25.00 C ATOM 830 NZ LYS A 56 35.942 29.547 7.723 1.00 25.00 N ATOM 0 H LYS A 56 37.438 29.263 1.471 1.00 25.00 H new ATOM 0 HA LYS A 56 36.747 26.555 2.006 1.00 25.00 H new ATOM 0 HB2 LYS A 56 36.263 27.209 4.116 1.00 25.00 H new ATOM 0 HB3 LYS A 56 37.412 28.437 3.622 1.00 25.00 H new ATOM 0 HG2 LYS A 56 35.406 29.872 3.099 1.00 25.00 H new ATOM 0 HG3 LYS A 56 34.470 28.682 3.980 1.00 25.00 H new ATOM 0 HD2 LYS A 56 37.030 29.761 5.206 1.00 25.00 H new ATOM 0 HD3 LYS A 56 35.581 30.745 5.263 1.00 25.00 H new ATOM 0 HE2 LYS A 56 34.371 28.904 6.443 1.00 25.00 H new ATOM 0 HE3 LYS A 56 35.811 27.908 6.375 1.00 25.00 H new ATOM 0 HZ1 LYS A 56 35.724 28.908 8.514 1.00 25.00 H new ATOM 0 HZ2 LYS A 56 36.970 29.696 7.672 1.00 25.00 H new ATOM 0 HZ3 LYS A 56 35.467 30.460 7.874 1.00 25.00 H new ATOM 844 N PHE A 57 34.338 28.480 0.885 1.00 25.00 N ATOM 845 CA PHE A 57 32.975 28.410 0.358 1.00 25.00 C ATOM 846 C PHE A 57 32.865 27.379 -0.756 1.00 25.00 C ATOM 847 O PHE A 57 32.018 26.507 -0.696 1.00 25.00 O ATOM 848 CB PHE A 57 32.502 29.779 -0.131 1.00 25.00 C ATOM 849 CG PHE A 57 31.076 29.783 -0.603 1.00 25.00 C ATOM 850 CD1 PHE A 57 30.021 29.902 0.319 1.00 25.00 C ATOM 851 CD2 PHE A 57 30.774 29.646 -1.971 1.00 25.00 C ATOM 852 CE1 PHE A 57 28.675 29.896 -0.115 1.00 25.00 C ATOM 853 CE2 PHE A 57 29.431 29.637 -2.416 1.00 25.00 C ATOM 854 CZ PHE A 57 28.382 29.757 -1.485 1.00 25.00 C ATOM 0 H PHE A 57 34.808 29.374 0.743 1.00 25.00 H new ATOM 0 HA PHE A 57 32.325 28.096 1.175 1.00 25.00 H new ATOM 0 HB2 PHE A 57 32.612 30.503 0.676 1.00 25.00 H new ATOM 0 HB3 PHE A 57 33.147 30.109 -0.945 1.00 25.00 H new ATOM 0 HD1 PHE A 57 30.241 29.999 1.372 1.00 25.00 H new ATOM 0 HD2 PHE A 57 31.575 29.547 -2.688 1.00 25.00 H new ATOM 0 HE1 PHE A 57 27.874 29.998 0.602 1.00 25.00 H new ATOM 0 HE2 PHE A 57 29.211 29.538 -3.469 1.00 25.00 H new ATOM 0 HZ PHE A 57 27.356 29.742 -1.821 1.00 25.00 H new ATOM 864 N SER A 58 33.738 27.456 -1.747 1.00 25.00 N ATOM 865 CA SER A 58 33.734 26.531 -2.873 1.00 25.00 C ATOM 866 C SER A 58 34.055 25.107 -2.439 1.00 25.00 C ATOM 867 O SER A 58 33.455 24.150 -2.921 1.00 25.00 O ATOM 868 CB SER A 58 34.771 26.990 -3.903 1.00 25.00 C ATOM 869 OG SER A 58 34.746 26.171 -5.055 1.00 25.00 O ATOM 0 H SER A 58 34.472 28.163 -1.795 1.00 25.00 H new ATOM 0 HA SER A 58 32.734 26.532 -3.306 1.00 25.00 H new ATOM 0 HB2 SER A 58 34.574 28.024 -4.185 1.00 25.00 H new ATOM 0 HB3 SER A 58 35.765 26.965 -3.457 1.00 25.00 H new ATOM 0 HG SER A 58 35.416 26.487 -5.696 1.00 25.00 H new ATOM 875 N ARG A 59 34.980 24.967 -1.501 1.00 25.00 N ATOM 876 CA ARG A 59 35.376 23.649 -1.010 1.00 25.00 C ATOM 877 C ARG A 59 34.200 22.958 -0.346 1.00 25.00 C ATOM 878 O ARG A 59 33.922 21.796 -0.612 1.00 25.00 O ATOM 879 CB ARG A 59 36.547 23.802 -0.032 1.00 25.00 C ATOM 880 CG ARG A 59 37.169 22.481 0.449 1.00 25.00 C ATOM 881 CD ARG A 59 36.512 21.915 1.710 1.00 25.00 C ATOM 882 NE ARG A 59 36.725 22.760 2.897 1.00 25.00 N ATOM 883 CZ ARG A 59 36.301 22.472 4.125 1.00 25.00 C ATOM 884 NH1 ARG A 59 35.638 21.383 4.409 1.00 25.00 N ATOM 885 NH2 ARG A 59 36.552 23.306 5.094 1.00 25.00 N ATOM 0 H ARG A 59 35.471 25.746 -1.063 1.00 25.00 H new ATOM 0 HA ARG A 59 35.696 23.030 -1.848 1.00 25.00 H new ATOM 0 HB2 ARG A 59 37.324 24.399 -0.510 1.00 25.00 H new ATOM 0 HB3 ARG A 59 36.204 24.362 0.838 1.00 25.00 H new ATOM 0 HG2 ARG A 59 37.096 21.743 -0.350 1.00 25.00 H new ATOM 0 HG3 ARG A 59 38.230 22.638 0.642 1.00 25.00 H new ATOM 0 HD2 ARG A 59 35.442 21.804 1.537 1.00 25.00 H new ATOM 0 HD3 ARG A 59 36.909 20.918 1.904 1.00 25.00 H new ATOM 0 HE ARG A 59 37.237 23.633 2.768 1.00 25.00 H new ATOM 0 HH11 ARG A 59 35.424 20.709 3.673 1.00 25.00 H new ATOM 0 HH12 ARG A 59 35.334 21.206 5.366 1.00 25.00 H new ATOM 0 HH21 ARG A 59 37.067 24.166 4.906 1.00 25.00 H new ATOM 0 HH22 ARG A 59 36.233 23.099 6.041 1.00 25.00 H new ATOM 899 N VAL A 60 33.486 23.670 0.504 1.00 25.00 N ATOM 900 CA VAL A 60 32.335 23.075 1.169 1.00 25.00 C ATOM 901 C VAL A 60 31.218 22.901 0.145 1.00 25.00 C ATOM 902 O VAL A 60 30.487 21.929 0.194 1.00 25.00 O ATOM 903 CB VAL A 60 31.852 23.933 2.370 1.00 25.00 C ATOM 904 CG1 VAL A 60 30.625 23.295 3.023 1.00 25.00 C ATOM 905 CG2 VAL A 60 32.976 24.064 3.418 1.00 25.00 C ATOM 0 H VAL A 60 33.674 24.642 0.750 1.00 25.00 H new ATOM 0 HA VAL A 60 32.625 22.106 1.575 1.00 25.00 H new ATOM 0 HB VAL A 60 31.586 24.922 1.997 1.00 25.00 H new ATOM 0 HG11 VAL A 60 30.299 23.909 3.863 1.00 25.00 H new ATOM 0 HG12 VAL A 60 29.820 23.223 2.292 1.00 25.00 H new ATOM 0 HG13 VAL A 60 30.880 22.297 3.380 1.00 25.00 H new ATOM 0 HG21 VAL A 60 32.625 24.668 4.255 1.00 25.00 H new ATOM 0 HG22 VAL A 60 33.256 23.074 3.777 1.00 25.00 H new ATOM 0 HG23 VAL A 60 33.843 24.543 2.964 1.00 25.00 H new ATOM 915 N LEU A 61 31.109 23.815 -0.808 1.00 25.00 N ATOM 916 CA LEU A 61 30.080 23.718 -1.843 1.00 25.00 C ATOM 917 C LEU A 61 30.203 22.413 -2.624 1.00 25.00 C ATOM 918 O LEU A 61 29.205 21.739 -2.859 1.00 25.00 O ATOM 919 CB LEU A 61 30.183 24.900 -2.810 1.00 25.00 C ATOM 920 CG LEU A 61 28.963 25.111 -3.714 1.00 25.00 C ATOM 921 CD1 LEU A 61 28.134 26.248 -3.157 1.00 25.00 C ATOM 922 CD2 LEU A 61 29.349 25.438 -5.152 1.00 25.00 C ATOM 0 H LEU A 61 31.716 24.631 -0.890 1.00 25.00 H new ATOM 0 HA LEU A 61 29.110 23.737 -1.346 1.00 25.00 H new ATOM 0 HB2 LEU A 61 30.348 25.809 -2.231 1.00 25.00 H new ATOM 0 HB3 LEU A 61 31.062 24.759 -3.439 1.00 25.00 H new ATOM 0 HG LEU A 61 28.399 24.179 -3.730 1.00 25.00 H new ATOM 0 HD11 LEU A 61 27.263 26.408 -3.792 1.00 25.00 H new ATOM 0 HD12 LEU A 61 27.807 25.999 -2.148 1.00 25.00 H new ATOM 0 HD13 LEU A 61 28.735 27.157 -3.130 1.00 25.00 H new ATOM 0 HD21 LEU A 61 28.447 25.577 -5.748 1.00 25.00 H new ATOM 0 HD22 LEU A 61 29.941 26.353 -5.171 1.00 25.00 H new ATOM 0 HD23 LEU A 61 29.935 24.618 -5.567 1.00 25.00 H new ATOM 934 N VAL A 62 31.413 22.039 -3.018 1.00 25.00 N ATOM 935 CA VAL A 62 31.590 20.786 -3.757 1.00 25.00 C ATOM 936 C VAL A 62 31.401 19.581 -2.837 1.00 25.00 C ATOM 937 O VAL A 62 30.777 18.611 -3.230 1.00 25.00 O ATOM 938 CB VAL A 62 32.948 20.725 -4.542 1.00 25.00 C ATOM 939 CG1 VAL A 62 34.170 20.706 -3.626 1.00 25.00 C ATOM 940 CG2 VAL A 62 32.972 19.513 -5.474 1.00 25.00 C ATOM 0 H VAL A 62 32.269 22.566 -2.847 1.00 25.00 H new ATOM 0 HA VAL A 62 30.811 20.752 -4.518 1.00 25.00 H new ATOM 0 HB VAL A 62 33.007 21.642 -5.129 1.00 25.00 H new ATOM 0 HG11 VAL A 62 35.077 20.663 -4.230 1.00 25.00 H new ATOM 0 HG12 VAL A 62 34.182 21.610 -3.016 1.00 25.00 H new ATOM 0 HG13 VAL A 62 34.125 19.831 -2.977 1.00 25.00 H new ATOM 0 HG21 VAL A 62 33.920 19.485 -6.011 1.00 25.00 H new ATOM 0 HG22 VAL A 62 32.860 18.601 -4.888 1.00 25.00 H new ATOM 0 HG23 VAL A 62 32.153 19.587 -6.189 1.00 25.00 H new ATOM 950 N GLU A 63 31.851 19.657 -1.594 1.00 25.00 N ATOM 951 CA GLU A 63 31.630 18.552 -0.648 1.00 25.00 C ATOM 952 C GLU A 63 30.141 18.333 -0.401 1.00 25.00 C ATOM 953 O GLU A 63 29.667 17.199 -0.339 1.00 25.00 O ATOM 954 CB GLU A 63 32.320 18.814 0.687 1.00 25.00 C ATOM 955 CG GLU A 63 33.804 18.561 0.641 1.00 25.00 C ATOM 956 CD GLU A 63 34.401 18.462 2.026 1.00 25.00 C ATOM 957 OE1 GLU A 63 34.474 17.346 2.572 1.00 25.00 O ATOM 958 OE2 GLU A 63 34.777 19.511 2.586 1.00 25.00 O ATOM 0 H GLU A 63 32.363 20.453 -1.213 1.00 25.00 H new ATOM 0 HA GLU A 63 32.059 17.658 -1.100 1.00 25.00 H new ATOM 0 HB2 GLU A 63 32.142 19.847 0.985 1.00 25.00 H new ATOM 0 HB3 GLU A 63 31.872 18.180 1.452 1.00 25.00 H new ATOM 0 HG2 GLU A 63 33.998 17.638 0.095 1.00 25.00 H new ATOM 0 HG3 GLU A 63 34.293 19.365 0.091 1.00 25.00 H new