USER MOD reduce.3.24.130724 H: found=0, std=0, add=442, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 444 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 71 ASN : amide:sc= 0.211 K(o=0.21,f=-3.3!) USER MOD Set 1.2: A 72 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 39 THR OG1 : rot -39:sc= 1.97 USER MOD Set 2.2: A 41 ASN : amide:sc= 0.401 K(o=2.4,f=1.2) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -147:sc= 1.22 (180deg=0.443) USER MOD Single : A 50 MET CE :methyl -133:sc= -5.94! (180deg=-10.3!) USER MOD Single : A 51 THR OG1 : rot -123:sc= -2.63! USER MOD Single : A 52 GLN : amide:sc= -1.54! C(o=-1.5!,f=-3.2!) USER MOD Single : A 53 GLN :FLIP amide:sc= -0.0768 F(o=-1.6,f=-0.077) USER MOD Single : A 54 GLN : amide:sc=-0.00411 X(o=-0.0041,f=-0.28) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl -138:sc= -0.957 (180deg=-3.3!) USER MOD Single : A 65 SER OG : rot -36:sc= 0.305 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0525 USER MOD Single : A 75 TYR OH : rot 156:sc= 1.21 USER MOD Single : A 90 THR OG1 : rot -20:sc= 0.809 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 131:sc= 1.27 USER MOD Single : A 96 ASN : amide:sc= -1.63! C(o=-1.6!,f=-9.3!) USER MOD Single : A 97 SER OG : rot 180:sc= 0.0404 USER MOD Single : A 98 SER OG : rot -21:sc= 0.478 USER MOD Single : A 102 THR OG1 : rot 180:sc= -0.301 USER MOD Single : A 103 ASN : amide:sc= -0.776 X(o=-0.78,f=-0.9) USER MOD Single : A 106 ASN : amide:sc= -0.423 X(o=-0.42,f=-0.21) USER MOD Single : A 107 LYS NZ :NH3+ -156:sc= -0.0815 (180deg=-0.571) USER MOD ----------------------------------------------------------------- ATOM 334 N LEU A 38 -2.220 0.919 -2.104 1.00 0.00 N ATOM 335 CA LEU A 38 -2.321 0.426 -0.741 1.00 0.00 C ATOM 336 C LEU A 38 -1.694 1.415 0.230 1.00 0.00 C ATOM 337 O LEU A 38 -0.767 2.145 -0.121 1.00 0.00 O ATOM 338 CB LEU A 38 -1.628 -0.926 -0.606 1.00 0.00 C ATOM 339 CG LEU A 38 -1.932 -1.675 0.685 1.00 0.00 C ATOM 340 CD1 LEU A 38 -3.056 -2.663 0.452 1.00 0.00 C ATOM 341 CD2 LEU A 38 -0.699 -2.370 1.227 1.00 0.00 C ATOM 0 HA LEU A 38 -3.378 0.310 -0.502 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.918 -1.553 -1.450 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.551 -0.775 -0.676 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.248 -0.952 1.437 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.270 -3.196 1.378 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.949 -2.129 0.127 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.760 -3.376 -0.317 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.952 -2.894 2.148 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.332 -3.086 0.491 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.075 -1.630 1.432 1.00 0.00 H new ATOM 353 N THR A 39 -2.209 1.437 1.444 1.00 0.00 N ATOM 354 CA THR A 39 -1.679 2.298 2.483 1.00 0.00 C ATOM 355 C THR A 39 -1.361 1.504 3.743 1.00 0.00 C ATOM 356 O THR A 39 -1.559 0.290 3.785 1.00 0.00 O ATOM 357 CB THR A 39 -2.660 3.430 2.848 1.00 0.00 C ATOM 358 OG1 THR A 39 -3.811 2.895 3.519 1.00 0.00 O ATOM 359 CG2 THR A 39 -3.101 4.175 1.607 1.00 0.00 C ATOM 0 H THR A 39 -3.000 0.863 1.736 1.00 0.00 H new ATOM 0 HA THR A 39 -0.765 2.737 2.083 1.00 0.00 H new ATOM 0 HB THR A 39 -2.145 4.123 3.513 1.00 0.00 H new ATOM 0 HG1 THR A 39 -4.068 2.046 3.102 1.00 0.00 H new ATOM 0 HG21 THR A 39 -3.793 4.970 1.886 1.00 0.00 H new ATOM 0 HG22 THR A 39 -2.231 4.608 1.114 1.00 0.00 H new ATOM 0 HG23 THR A 39 -3.598 3.485 0.925 1.00 0.00 H new ATOM 367 N ALA A 40 -0.900 2.199 4.774 1.00 0.00 N ATOM 368 CA ALA A 40 -0.602 1.569 6.060 1.00 0.00 C ATOM 369 C ALA A 40 -1.864 0.967 6.666 1.00 0.00 C ATOM 370 O ALA A 40 -1.830 -0.086 7.303 1.00 0.00 O ATOM 371 CB ALA A 40 -0.003 2.586 7.011 1.00 0.00 C ATOM 0 H ALA A 40 -0.723 3.203 4.748 1.00 0.00 H new ATOM 0 HA ALA A 40 0.119 0.769 5.895 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.215 2.107 7.966 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.918 2.984 6.585 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.711 3.400 7.167 1.00 0.00 H new ATOM 377 N ASN A 41 -2.977 1.654 6.443 1.00 0.00 N ATOM 378 CA ASN A 41 -4.279 1.222 6.934 1.00 0.00 C ATOM 379 C ASN A 41 -4.615 -0.145 6.376 1.00 0.00 C ATOM 380 O ASN A 41 -5.038 -1.049 7.093 1.00 0.00 O ATOM 381 CB ASN A 41 -5.353 2.212 6.491 1.00 0.00 C ATOM 382 CG ASN A 41 -5.038 3.628 6.885 1.00 0.00 C ATOM 383 OD1 ASN A 41 -5.332 4.072 7.996 1.00 0.00 O ATOM 384 ND2 ASN A 41 -4.462 4.360 5.956 1.00 0.00 N ATOM 0 H ASN A 41 -3.002 2.527 5.916 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.244 1.176 8.022 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.466 2.158 5.408 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -6.309 1.923 6.927 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -4.241 5.338 6.142 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -4.237 3.949 5.050 1.00 0.00 H new ATOM 391 N ASP A 42 -4.400 -0.276 5.081 1.00 0.00 N ATOM 392 CA ASP A 42 -4.680 -1.512 4.365 1.00 0.00 C ATOM 393 C ASP A 42 -3.705 -2.607 4.775 1.00 0.00 C ATOM 394 O ASP A 42 -4.059 -3.779 4.794 1.00 0.00 O ATOM 395 CB ASP A 42 -4.602 -1.283 2.857 1.00 0.00 C ATOM 396 CG ASP A 42 -5.526 -0.187 2.369 1.00 0.00 C ATOM 397 OD1 ASP A 42 -6.725 -0.464 2.146 1.00 0.00 O ATOM 398 OD2 ASP A 42 -5.046 0.955 2.192 1.00 0.00 O ATOM 0 H ASP A 42 -4.027 0.469 4.493 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.690 -1.832 4.623 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.576 -1.031 2.587 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.848 -2.212 2.342 1.00 0.00 H new ATOM 403 N VAL A 43 -2.478 -2.223 5.107 1.00 0.00 N ATOM 404 CA VAL A 43 -1.485 -3.176 5.599 1.00 0.00 C ATOM 405 C VAL A 43 -1.998 -3.886 6.849 1.00 0.00 C ATOM 406 O VAL A 43 -1.789 -5.084 7.030 1.00 0.00 O ATOM 407 CB VAL A 43 -0.142 -2.485 5.924 1.00 0.00 C ATOM 408 CG1 VAL A 43 0.798 -3.450 6.622 1.00 0.00 C ATOM 409 CG2 VAL A 43 0.514 -1.969 4.668 1.00 0.00 C ATOM 0 H VAL A 43 -2.145 -1.261 5.045 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.317 -3.903 4.805 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.352 -1.644 6.585 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.739 -2.946 6.843 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.343 -3.793 7.551 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.988 -4.305 5.974 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.458 -1.487 4.922 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.703 -2.800 3.988 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.144 -1.247 4.184 1.00 0.00 H new ATOM 419 N SER A 44 -2.693 -3.135 7.692 1.00 0.00 N ATOM 420 CA SER A 44 -3.264 -3.670 8.923 1.00 0.00 C ATOM 421 C SER A 44 -4.242 -4.814 8.628 1.00 0.00 C ATOM 422 O SER A 44 -4.512 -5.657 9.485 1.00 0.00 O ATOM 423 CB SER A 44 -3.959 -2.548 9.690 1.00 0.00 C ATOM 424 OG SER A 44 -4.405 -2.973 10.969 1.00 0.00 O ATOM 0 H SER A 44 -2.877 -2.143 7.544 1.00 0.00 H new ATOM 0 HA SER A 44 -2.460 -4.078 9.535 1.00 0.00 H new ATOM 0 HB2 SER A 44 -3.273 -1.709 9.806 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.809 -2.186 9.112 1.00 0.00 H new ATOM 0 HG SER A 44 -4.843 -2.226 11.428 1.00 0.00 H new ATOM 430 N LYS A 45 -4.751 -4.842 7.399 1.00 0.00 N ATOM 431 CA LYS A 45 -5.710 -5.856 6.978 1.00 0.00 C ATOM 432 C LYS A 45 -5.064 -7.228 6.837 1.00 0.00 C ATOM 433 O LYS A 45 -5.728 -8.246 7.008 1.00 0.00 O ATOM 434 CB LYS A 45 -6.351 -5.463 5.657 1.00 0.00 C ATOM 435 CG LYS A 45 -7.193 -4.204 5.740 1.00 0.00 C ATOM 436 CD LYS A 45 -7.708 -3.822 4.372 1.00 0.00 C ATOM 437 CE LYS A 45 -8.594 -4.914 3.804 1.00 0.00 C ATOM 438 NZ LYS A 45 -8.813 -4.751 2.343 1.00 0.00 N ATOM 0 H LYS A 45 -4.512 -4.167 6.673 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.472 -5.918 7.755 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.568 -5.318 4.912 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.976 -6.285 5.307 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.031 -4.363 6.419 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.599 -3.388 6.152 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.269 -2.890 4.437 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.869 -3.642 3.700 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.139 -5.886 3.996 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.555 -4.905 4.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.765 -5.089 2.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.725 -3.746 2.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.103 -5.303 1.822 1.00 0.00 H new ATOM 452 N ILE A 46 -3.778 -7.270 6.510 1.00 0.00 N ATOM 453 CA ILE A 46 -3.108 -8.534 6.343 1.00 0.00 C ATOM 454 C ILE A 46 -2.386 -8.968 7.595 1.00 0.00 C ATOM 455 O ILE A 46 -2.337 -8.254 8.595 1.00 0.00 O ATOM 456 CB ILE A 46 -2.104 -8.543 5.182 1.00 0.00 C ATOM 457 CG1 ILE A 46 -1.025 -7.469 5.343 1.00 0.00 C ATOM 458 CG2 ILE A 46 -2.845 -8.398 3.874 1.00 0.00 C ATOM 459 CD1 ILE A 46 0.132 -7.663 4.390 1.00 0.00 C ATOM 0 H ILE A 46 -3.192 -6.449 6.359 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.910 -9.236 6.116 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.581 -9.499 5.187 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.467 -6.487 5.177 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.654 -7.482 6.368 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.132 -8.404 3.049 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.543 -9.227 3.757 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.396 -7.457 3.870 1.00 0.00 H new ATOM 0 HD11 ILE A 46 0.868 -6.875 4.546 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.595 -8.633 4.572 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.231 -7.622 3.363 1.00 0.00 H new ATOM 471 N ARG A 47 -1.828 -10.157 7.509 1.00 0.00 N ATOM 472 CA ARG A 47 -1.136 -10.774 8.619 1.00 0.00 C ATOM 473 C ARG A 47 -0.301 -11.928 8.122 1.00 0.00 C ATOM 474 O ARG A 47 -0.650 -12.590 7.139 1.00 0.00 O ATOM 475 CB ARG A 47 -2.124 -11.268 9.684 1.00 0.00 C ATOM 476 CG ARG A 47 -3.263 -12.120 9.140 1.00 0.00 C ATOM 477 CD ARG A 47 -4.461 -11.261 8.765 1.00 0.00 C ATOM 478 NE ARG A 47 -4.818 -10.347 9.852 1.00 0.00 N ATOM 479 CZ ARG A 47 -5.972 -9.687 9.940 1.00 0.00 C ATOM 480 NH1 ARG A 47 -6.934 -9.876 9.043 1.00 0.00 N ATOM 481 NH2 ARG A 47 -6.166 -8.837 10.938 1.00 0.00 N ATOM 0 H ARG A 47 -1.842 -10.725 6.662 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.490 -10.024 9.076 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.577 -11.847 10.428 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.546 -10.405 10.199 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -2.921 -12.674 8.266 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.559 -12.856 9.887 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -4.234 -10.689 7.865 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -5.312 -11.901 8.530 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.134 -10.205 10.595 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.794 -10.533 8.275 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -7.813 -9.364 9.122 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -5.434 -8.691 11.633 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -7.047 -8.329 11.011 1.00 0.00 H new ATOM 495 N VAL A 48 0.805 -12.154 8.796 1.00 0.00 N ATOM 496 CA VAL A 48 1.706 -13.220 8.436 1.00 0.00 C ATOM 497 C VAL A 48 1.065 -14.555 8.772 1.00 0.00 C ATOM 498 O VAL A 48 0.419 -14.691 9.809 1.00 0.00 O ATOM 499 CB VAL A 48 3.034 -13.090 9.184 1.00 0.00 C ATOM 500 CG1 VAL A 48 4.177 -13.594 8.329 1.00 0.00 C ATOM 501 CG2 VAL A 48 3.268 -11.652 9.596 1.00 0.00 C ATOM 0 H VAL A 48 1.102 -11.606 9.604 1.00 0.00 H new ATOM 0 HA VAL A 48 1.906 -13.159 7.366 1.00 0.00 H new ATOM 0 HB VAL A 48 2.986 -13.703 10.084 1.00 0.00 H new ATOM 0 HG11 VAL A 48 5.114 -13.494 8.878 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.012 -14.643 8.082 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.230 -13.009 7.411 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.217 -11.575 10.127 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.297 -11.019 8.709 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.459 -11.324 10.249 1.00 0.00 H new ATOM 511 N GLY A 49 1.242 -15.530 7.904 1.00 0.00 N ATOM 512 CA GLY A 49 0.605 -16.810 8.106 1.00 0.00 C ATOM 513 C GLY A 49 -0.300 -17.195 6.954 1.00 0.00 C ATOM 514 O GLY A 49 -0.668 -18.360 6.816 1.00 0.00 O ATOM 0 H GLY A 49 1.815 -15.461 7.063 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.369 -17.576 8.235 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.023 -16.781 9.027 1.00 0.00 H new ATOM 518 N MET A 50 -0.680 -16.226 6.125 1.00 0.00 N ATOM 519 CA MET A 50 -1.453 -16.544 4.933 1.00 0.00 C ATOM 520 C MET A 50 -0.578 -16.523 3.692 1.00 0.00 C ATOM 521 O MET A 50 0.593 -16.146 3.744 1.00 0.00 O ATOM 522 CB MET A 50 -2.673 -15.634 4.749 1.00 0.00 C ATOM 523 CG MET A 50 -2.405 -14.151 4.869 1.00 0.00 C ATOM 524 SD MET A 50 -3.913 -13.183 4.636 1.00 0.00 S ATOM 525 CE MET A 50 -3.267 -11.517 4.608 1.00 0.00 C ATOM 0 H MET A 50 -0.470 -15.236 6.254 1.00 0.00 H new ATOM 0 HA MET A 50 -1.834 -17.555 5.078 1.00 0.00 H new ATOM 0 HB2 MET A 50 -3.105 -15.829 3.767 1.00 0.00 H new ATOM 0 HB3 MET A 50 -3.425 -15.910 5.488 1.00 0.00 H new ATOM 0 HG2 MET A 50 -1.981 -13.935 5.850 1.00 0.00 H new ATOM 0 HG3 MET A 50 -1.663 -13.853 4.128 1.00 0.00 H new ATOM 0 HE1 MET A 50 -3.870 -10.882 5.258 1.00 0.00 H new ATOM 0 HE2 MET A 50 -2.235 -11.521 4.960 1.00 0.00 H new ATOM 0 HE3 MET A 50 -3.301 -11.130 3.589 1.00 0.00 H new ATOM 535 N THR A 51 -1.161 -16.938 2.584 1.00 0.00 N ATOM 536 CA THR A 51 -0.426 -17.125 1.345 1.00 0.00 C ATOM 537 C THR A 51 -0.365 -15.851 0.522 1.00 0.00 C ATOM 538 O THR A 51 -0.810 -14.784 0.957 1.00 0.00 O ATOM 539 CB THR A 51 -1.086 -18.209 0.479 1.00 0.00 C ATOM 540 OG1 THR A 51 -2.258 -17.682 -0.150 1.00 0.00 O ATOM 541 CG2 THR A 51 -1.491 -19.389 1.325 1.00 0.00 C ATOM 0 H THR A 51 -2.155 -17.155 2.516 1.00 0.00 H new ATOM 0 HA THR A 51 0.584 -17.421 1.630 1.00 0.00 H new ATOM 0 HB THR A 51 -0.364 -18.528 -0.273 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.033 -18.232 0.090 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.957 -20.146 0.694 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.609 -19.811 1.807 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.201 -19.065 2.086 1.00 0.00 H new ATOM 549 N GLN A 52 0.169 -15.979 -0.681 1.00 0.00 N ATOM 550 CA GLN A 52 0.210 -14.876 -1.609 1.00 0.00 C ATOM 551 C GLN A 52 -1.189 -14.542 -2.104 1.00 0.00 C ATOM 552 O GLN A 52 -1.565 -13.376 -2.181 1.00 0.00 O ATOM 553 CB GLN A 52 1.111 -15.203 -2.794 1.00 0.00 C ATOM 554 CG GLN A 52 2.537 -15.549 -2.401 1.00 0.00 C ATOM 555 CD GLN A 52 3.502 -15.530 -3.571 1.00 0.00 C ATOM 556 OE1 GLN A 52 4.480 -16.276 -3.596 1.00 0.00 O ATOM 557 NE2 GLN A 52 3.250 -14.664 -4.537 1.00 0.00 N ATOM 0 H GLN A 52 0.581 -16.843 -1.033 1.00 0.00 H new ATOM 0 HA GLN A 52 0.617 -14.011 -1.086 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.682 -16.040 -3.345 1.00 0.00 H new ATOM 0 HB3 GLN A 52 1.127 -14.350 -3.473 1.00 0.00 H new ATOM 0 HG2 GLN A 52 2.880 -14.843 -1.645 1.00 0.00 H new ATOM 0 HG3 GLN A 52 2.551 -16.538 -1.943 1.00 0.00 H new ATOM 0 HE21 GLN A 52 2.429 -14.062 -4.481 1.00 0.00 H new ATOM 0 HE22 GLN A 52 3.877 -14.598 -5.339 1.00 0.00 H new ATOM 566 N GLN A 53 -1.980 -15.569 -2.401 1.00 0.00 N ATOM 567 CA GLN A 53 -3.306 -15.345 -2.970 1.00 0.00 C ATOM 568 C GLN A 53 -4.180 -14.640 -1.957 1.00 0.00 C ATOM 569 O GLN A 53 -5.038 -13.834 -2.299 1.00 0.00 O ATOM 570 CB GLN A 53 -3.950 -16.662 -3.415 1.00 0.00 C ATOM 571 CG GLN A 53 -4.268 -17.636 -2.292 1.00 0.00 C ATOM 572 CD GLN A 53 -5.757 -17.800 -2.042 1.00 0.00 C ATOM 573 OE1 GLN A 53 -6.529 -16.747 -2.272 1.00 0.00 O flip ATOM 574 NE2 GLN A 53 -6.208 -18.865 -1.630 1.00 0.00 N flip ATOM 0 H GLN A 53 -1.732 -16.548 -2.260 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.202 -14.716 -3.854 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -4.872 -16.435 -3.950 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.283 -17.153 -4.123 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.838 -18.608 -2.531 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -3.789 -17.292 -1.376 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -5.583 -19.654 -1.465 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.208 -18.961 -1.453 1.00 0.00 H new ATOM 583 N GLN A 54 -3.934 -14.962 -0.705 1.00 0.00 N ATOM 584 CA GLN A 54 -4.612 -14.326 0.409 1.00 0.00 C ATOM 585 C GLN A 54 -4.315 -12.833 0.435 1.00 0.00 C ATOM 586 O GLN A 54 -5.226 -12.007 0.401 1.00 0.00 O ATOM 587 CB GLN A 54 -4.150 -14.955 1.715 1.00 0.00 C ATOM 588 CG GLN A 54 -4.423 -16.443 1.823 1.00 0.00 C ATOM 589 CD GLN A 54 -5.640 -16.749 2.664 1.00 0.00 C ATOM 590 OE1 GLN A 54 -6.603 -15.985 2.693 1.00 0.00 O ATOM 591 NE2 GLN A 54 -5.590 -17.857 3.380 1.00 0.00 N ATOM 0 H GLN A 54 -3.257 -15.673 -0.428 1.00 0.00 H new ATOM 0 HA GLN A 54 -5.686 -14.469 0.289 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -3.079 -14.785 1.828 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -4.642 -14.446 2.544 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -4.562 -16.857 0.824 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -3.553 -16.938 2.255 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -4.771 -18.463 3.326 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -6.370 -18.107 3.987 1.00 0.00 H new ATOM 600 N VAL A 55 -3.034 -12.494 0.475 1.00 0.00 N ATOM 601 CA VAL A 55 -2.620 -11.109 0.575 1.00 0.00 C ATOM 602 C VAL A 55 -2.996 -10.326 -0.674 1.00 0.00 C ATOM 603 O VAL A 55 -3.449 -9.194 -0.581 1.00 0.00 O ATOM 604 CB VAL A 55 -1.110 -11.004 0.824 1.00 0.00 C ATOM 605 CG1 VAL A 55 -0.670 -9.553 0.797 1.00 0.00 C ATOM 606 CG2 VAL A 55 -0.763 -11.635 2.152 1.00 0.00 C ATOM 0 H VAL A 55 -2.265 -13.163 0.439 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.147 -10.674 1.424 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.584 -11.537 0.032 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.404 -9.495 0.975 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.900 -9.121 -0.177 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.197 -8.998 1.573 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.311 -11.557 2.322 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.296 -11.118 2.950 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.053 -12.686 2.143 1.00 0.00 H new ATOM 616 N ALA A 56 -2.833 -10.938 -1.838 1.00 0.00 N ATOM 617 CA ALA A 56 -3.186 -10.282 -3.091 1.00 0.00 C ATOM 618 C ALA A 56 -4.652 -9.902 -3.082 1.00 0.00 C ATOM 619 O ALA A 56 -5.050 -8.891 -3.646 1.00 0.00 O ATOM 620 CB ALA A 56 -2.887 -11.180 -4.279 1.00 0.00 C ATOM 0 H ALA A 56 -2.461 -11.882 -1.942 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.582 -9.380 -3.186 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.160 -10.666 -5.201 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.823 -11.418 -4.297 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.463 -12.101 -4.193 1.00 0.00 H new ATOM 626 N TYR A 57 -5.455 -10.728 -2.446 1.00 0.00 N ATOM 627 CA TYR A 57 -6.877 -10.484 -2.367 1.00 0.00 C ATOM 628 C TYR A 57 -7.220 -9.477 -1.266 1.00 0.00 C ATOM 629 O TYR A 57 -8.085 -8.617 -1.446 1.00 0.00 O ATOM 630 CB TYR A 57 -7.600 -11.807 -2.174 1.00 0.00 C ATOM 631 CG TYR A 57 -7.793 -12.555 -3.479 1.00 0.00 C ATOM 632 CD1 TYR A 57 -6.882 -12.420 -4.528 1.00 0.00 C ATOM 633 CD2 TYR A 57 -8.893 -13.380 -3.673 1.00 0.00 C ATOM 634 CE1 TYR A 57 -7.063 -13.087 -5.719 1.00 0.00 C ATOM 635 CE2 TYR A 57 -9.080 -14.050 -4.867 1.00 0.00 C ATOM 636 CZ TYR A 57 -8.163 -13.902 -5.887 1.00 0.00 C ATOM 637 OH TYR A 57 -8.347 -14.570 -7.076 1.00 0.00 O ATOM 0 H TYR A 57 -5.144 -11.578 -1.975 1.00 0.00 H new ATOM 0 HA TYR A 57 -7.213 -10.034 -3.301 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -7.034 -12.430 -1.481 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -8.572 -11.624 -1.716 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -6.020 -11.781 -4.403 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -9.614 -13.500 -2.878 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -6.346 -12.972 -6.519 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -9.941 -14.688 -5.001 1.00 0.00 H new ATOM 0 HH TYR A 57 -9.169 -15.101 -7.029 1.00 0.00 H new ATOM 647 N ALA A 58 -6.533 -9.592 -0.130 1.00 0.00 N ATOM 648 CA ALA A 58 -6.737 -8.694 1.005 1.00 0.00 C ATOM 649 C ALA A 58 -6.238 -7.291 0.699 1.00 0.00 C ATOM 650 O ALA A 58 -6.936 -6.294 0.903 1.00 0.00 O ATOM 651 CB ALA A 58 -6.005 -9.230 2.225 1.00 0.00 C ATOM 0 H ALA A 58 -5.823 -10.307 0.029 1.00 0.00 H new ATOM 0 HA ALA A 58 -7.808 -8.644 1.203 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.161 -8.556 3.068 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -6.390 -10.219 2.475 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.939 -9.300 2.008 1.00 0.00 H new ATOM 657 N LEU A 59 -5.017 -7.240 0.205 1.00 0.00 N ATOM 658 CA LEU A 59 -4.313 -5.998 -0.029 1.00 0.00 C ATOM 659 C LEU A 59 -4.654 -5.422 -1.393 1.00 0.00 C ATOM 660 O LEU A 59 -4.946 -4.235 -1.532 1.00 0.00 O ATOM 661 CB LEU A 59 -2.810 -6.268 0.087 1.00 0.00 C ATOM 662 CG LEU A 59 -2.095 -5.497 1.180 1.00 0.00 C ATOM 663 CD1 LEU A 59 -2.980 -5.413 2.405 1.00 0.00 C ATOM 664 CD2 LEU A 59 -0.788 -6.175 1.511 1.00 0.00 C ATOM 0 H LEU A 59 -4.481 -8.070 -0.048 1.00 0.00 H new ATOM 0 HA LEU A 59 -4.617 -5.260 0.714 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.661 -7.334 0.260 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.340 -6.032 -0.868 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.882 -4.485 0.835 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.464 -4.859 3.189 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.908 -4.901 2.149 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.206 -6.418 2.760 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.278 -5.618 2.297 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.982 -7.191 1.854 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.159 -6.206 0.621 1.00 0.00 H new ATOM 676 N GLY A 60 -4.653 -6.279 -2.389 1.00 0.00 N ATOM 677 CA GLY A 60 -4.835 -5.838 -3.747 1.00 0.00 C ATOM 678 C GLY A 60 -3.637 -6.209 -4.578 1.00 0.00 C ATOM 679 O GLY A 60 -2.503 -5.915 -4.197 1.00 0.00 O ATOM 0 H GLY A 60 -4.528 -7.285 -2.281 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.733 -6.291 -4.167 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -4.982 -4.758 -3.770 1.00 0.00 H new ATOM 683 N THR A 61 -3.875 -6.887 -5.686 1.00 0.00 N ATOM 684 CA THR A 61 -2.796 -7.333 -6.537 1.00 0.00 C ATOM 685 C THR A 61 -1.976 -6.149 -7.044 1.00 0.00 C ATOM 686 O THR A 61 -2.523 -5.147 -7.509 1.00 0.00 O ATOM 687 CB THR A 61 -3.327 -8.176 -7.711 1.00 0.00 C ATOM 688 OG1 THR A 61 -4.318 -7.446 -8.455 1.00 0.00 O ATOM 689 CG2 THR A 61 -3.930 -9.478 -7.195 1.00 0.00 C ATOM 0 H THR A 61 -4.807 -7.139 -6.014 1.00 0.00 H new ATOM 0 HA THR A 61 -2.141 -7.967 -5.940 1.00 0.00 H new ATOM 0 HB THR A 61 -2.490 -8.404 -8.371 1.00 0.00 H new ATOM 0 HG1 THR A 61 -4.642 -7.998 -9.197 1.00 0.00 H new ATOM 0 HG21 THR A 61 -4.302 -10.065 -8.035 1.00 0.00 H new ATOM 0 HG22 THR A 61 -3.167 -10.047 -6.664 1.00 0.00 H new ATOM 0 HG23 THR A 61 -4.753 -9.254 -6.516 1.00 0.00 H new ATOM 697 N PRO A 62 -0.644 -6.267 -6.932 1.00 0.00 N ATOM 698 CA PRO A 62 0.299 -5.178 -7.221 1.00 0.00 C ATOM 699 C PRO A 62 0.263 -4.747 -8.678 1.00 0.00 C ATOM 700 O PRO A 62 -0.239 -5.461 -9.541 1.00 0.00 O ATOM 701 CB PRO A 62 1.668 -5.790 -6.881 1.00 0.00 C ATOM 702 CG PRO A 62 1.363 -6.965 -6.019 1.00 0.00 C ATOM 703 CD PRO A 62 0.052 -7.488 -6.518 1.00 0.00 C ATOM 0 HA PRO A 62 0.063 -4.279 -6.652 1.00 0.00 H new ATOM 0 HB2 PRO A 62 2.201 -6.090 -7.783 1.00 0.00 H new ATOM 0 HB3 PRO A 62 2.302 -5.073 -6.360 1.00 0.00 H new ATOM 0 HG2 PRO A 62 2.144 -7.722 -6.095 1.00 0.00 H new ATOM 0 HG3 PRO A 62 1.299 -6.677 -4.970 1.00 0.00 H new ATOM 0 HD2 PRO A 62 0.182 -8.182 -7.349 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -0.494 -8.022 -5.740 1.00 0.00 H new ATOM 711 N LEU A 63 0.839 -3.568 -8.918 1.00 0.00 N ATOM 712 CA LEU A 63 0.724 -2.840 -10.185 1.00 0.00 C ATOM 713 C LEU A 63 1.099 -3.694 -11.380 1.00 0.00 C ATOM 714 O LEU A 63 0.553 -3.515 -12.465 1.00 0.00 O ATOM 715 CB LEU A 63 1.637 -1.624 -10.159 1.00 0.00 C ATOM 716 CG LEU A 63 1.576 -0.803 -8.882 1.00 0.00 C ATOM 717 CD1 LEU A 63 2.945 -0.229 -8.596 1.00 0.00 C ATOM 718 CD2 LEU A 63 0.542 0.302 -9.006 1.00 0.00 C ATOM 0 H LEU A 63 1.409 -3.083 -8.225 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.320 -2.546 -10.290 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.664 -1.956 -10.311 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.383 -0.979 -11.000 1.00 0.00 H new ATOM 0 HG LEU A 63 1.277 -1.444 -8.053 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.908 0.361 -7.681 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.662 -1.041 -8.475 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.253 0.407 -9.426 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.513 0.879 -8.082 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.808 0.958 -9.835 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.439 -0.136 -9.191 1.00 0.00 H new ATOM 730 N MET A 64 2.050 -4.602 -11.173 1.00 0.00 N ATOM 731 CA MET A 64 2.480 -5.523 -12.228 1.00 0.00 C ATOM 732 C MET A 64 1.342 -6.442 -12.684 1.00 0.00 C ATOM 733 O MET A 64 1.479 -7.155 -13.675 1.00 0.00 O ATOM 734 CB MET A 64 3.686 -6.346 -11.759 1.00 0.00 C ATOM 735 CG MET A 64 3.572 -6.864 -10.335 1.00 0.00 C ATOM 736 SD MET A 64 5.063 -7.715 -9.796 1.00 0.00 S ATOM 737 CE MET A 64 4.660 -7.980 -8.075 1.00 0.00 C ATOM 0 H MET A 64 2.539 -4.721 -10.286 1.00 0.00 H new ATOM 0 HA MET A 64 2.775 -4.923 -13.089 1.00 0.00 H new ATOM 0 HB2 MET A 64 3.817 -7.193 -12.432 1.00 0.00 H new ATOM 0 HB3 MET A 64 4.583 -5.733 -11.840 1.00 0.00 H new ATOM 0 HG2 MET A 64 3.369 -6.030 -9.663 1.00 0.00 H new ATOM 0 HG3 MET A 64 2.723 -7.544 -10.265 1.00 0.00 H new ATOM 0 HE1 MET A 64 5.537 -7.777 -7.460 1.00 0.00 H new ATOM 0 HE2 MET A 64 3.850 -7.311 -7.784 1.00 0.00 H new ATOM 0 HE3 MET A 64 4.347 -9.014 -7.930 1.00 0.00 H new ATOM 747 N SER A 65 0.233 -6.420 -11.945 1.00 0.00 N ATOM 748 CA SER A 65 -1.000 -7.126 -12.308 1.00 0.00 C ATOM 749 C SER A 65 -0.877 -8.641 -12.140 1.00 0.00 C ATOM 750 O SER A 65 -1.843 -9.376 -12.337 1.00 0.00 O ATOM 751 CB SER A 65 -1.426 -6.767 -13.740 1.00 0.00 C ATOM 752 OG SER A 65 -2.723 -7.261 -14.038 1.00 0.00 O ATOM 0 H SER A 65 0.163 -5.906 -11.067 1.00 0.00 H new ATOM 0 HA SER A 65 -1.775 -6.794 -11.617 1.00 0.00 H new ATOM 0 HB2 SER A 65 -1.411 -5.684 -13.864 1.00 0.00 H new ATOM 0 HB3 SER A 65 -0.707 -7.179 -14.448 1.00 0.00 H new ATOM 0 HG SER A 65 -2.849 -8.132 -13.606 1.00 0.00 H new ATOM 758 N ASP A 66 0.295 -9.102 -11.751 1.00 0.00 N ATOM 759 CA ASP A 66 0.525 -10.522 -11.528 1.00 0.00 C ATOM 760 C ASP A 66 1.352 -10.723 -10.270 1.00 0.00 C ATOM 761 O ASP A 66 2.580 -10.700 -10.306 1.00 0.00 O ATOM 762 CB ASP A 66 1.221 -11.182 -12.720 1.00 0.00 C ATOM 763 CG ASP A 66 0.325 -11.304 -13.938 1.00 0.00 C ATOM 764 OD1 ASP A 66 -0.579 -12.164 -13.927 1.00 0.00 O ATOM 765 OD2 ASP A 66 0.529 -10.555 -14.919 1.00 0.00 O ATOM 0 H ASP A 66 1.110 -8.512 -11.581 1.00 0.00 H new ATOM 0 HA ASP A 66 -0.448 -10.998 -11.408 1.00 0.00 H new ATOM 0 HB2 ASP A 66 2.106 -10.602 -12.983 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.565 -12.174 -12.429 1.00 0.00 H new ATOM 770 N PRO A 67 0.676 -10.903 -9.133 1.00 0.00 N ATOM 771 CA PRO A 67 1.327 -11.065 -7.829 1.00 0.00 C ATOM 772 C PRO A 67 1.981 -12.436 -7.655 1.00 0.00 C ATOM 773 O PRO A 67 2.988 -12.570 -6.962 1.00 0.00 O ATOM 774 CB PRO A 67 0.162 -10.912 -6.848 1.00 0.00 C ATOM 775 CG PRO A 67 -1.029 -11.385 -7.608 1.00 0.00 C ATOM 776 CD PRO A 67 -0.793 -10.957 -9.031 1.00 0.00 C ATOM 0 HA PRO A 67 2.137 -10.350 -7.689 1.00 0.00 H new ATOM 0 HB2 PRO A 67 0.320 -11.506 -5.948 1.00 0.00 H new ATOM 0 HB3 PRO A 67 0.044 -9.876 -6.530 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -1.136 -12.467 -7.536 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.946 -10.947 -7.213 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -1.219 -11.667 -9.740 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -1.246 -9.988 -9.239 1.00 0.00 H new ATOM 784 N PHE A 68 1.408 -13.445 -8.306 1.00 0.00 N ATOM 785 CA PHE A 68 1.815 -14.828 -8.116 1.00 0.00 C ATOM 786 C PHE A 68 3.121 -15.148 -8.842 1.00 0.00 C ATOM 787 O PHE A 68 3.580 -16.289 -8.828 1.00 0.00 O ATOM 788 CB PHE A 68 0.706 -15.756 -8.613 1.00 0.00 C ATOM 789 CG PHE A 68 -0.658 -15.399 -8.092 1.00 0.00 C ATOM 790 CD1 PHE A 68 -0.857 -15.142 -6.745 1.00 0.00 C ATOM 791 CD2 PHE A 68 -1.739 -15.317 -8.953 1.00 0.00 C ATOM 792 CE1 PHE A 68 -2.110 -14.810 -6.267 1.00 0.00 C ATOM 793 CE2 PHE A 68 -2.994 -14.987 -8.481 1.00 0.00 C ATOM 794 CZ PHE A 68 -3.181 -14.734 -7.136 1.00 0.00 C ATOM 0 H PHE A 68 0.650 -13.324 -8.978 1.00 0.00 H new ATOM 0 HA PHE A 68 1.987 -14.982 -7.051 1.00 0.00 H new ATOM 0 HB2 PHE A 68 0.687 -15.734 -9.703 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.941 -16.779 -8.319 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.023 -15.202 -6.061 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.599 -15.513 -10.006 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.252 -14.610 -5.215 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.829 -14.927 -9.163 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.162 -14.477 -6.765 1.00 0.00 H new ATOM 804 N GLY A 69 3.725 -14.141 -9.461 1.00 0.00 N ATOM 805 CA GLY A 69 4.954 -14.364 -10.197 1.00 0.00 C ATOM 806 C GLY A 69 6.174 -14.172 -9.327 1.00 0.00 C ATOM 807 O GLY A 69 7.225 -14.765 -9.569 1.00 0.00 O ATOM 0 H GLY A 69 3.388 -13.178 -9.467 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.955 -15.375 -10.605 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.000 -13.679 -11.043 1.00 0.00 H new ATOM 811 N THR A 70 6.022 -13.369 -8.292 1.00 0.00 N ATOM 812 CA THR A 70 7.131 -13.021 -7.428 1.00 0.00 C ATOM 813 C THR A 70 6.806 -13.380 -5.979 1.00 0.00 C ATOM 814 O THR A 70 5.687 -13.796 -5.671 1.00 0.00 O ATOM 815 CB THR A 70 7.443 -11.512 -7.532 1.00 0.00 C ATOM 816 OG1 THR A 70 8.711 -11.223 -6.930 1.00 0.00 O ATOM 817 CG2 THR A 70 6.359 -10.703 -6.851 1.00 0.00 C ATOM 0 H THR A 70 5.134 -12.943 -8.028 1.00 0.00 H new ATOM 0 HA THR A 70 8.006 -13.586 -7.749 1.00 0.00 H new ATOM 0 HB THR A 70 7.480 -11.240 -8.587 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.897 -10.264 -7.004 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.592 -9.641 -6.932 1.00 0.00 H new ATOM 0 HG22 THR A 70 5.401 -10.902 -7.331 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.303 -10.983 -5.799 1.00 0.00 H new ATOM 825 N ASN A 71 7.789 -13.220 -5.104 1.00 0.00 N ATOM 826 CA ASN A 71 7.611 -13.490 -3.681 1.00 0.00 C ATOM 827 C ASN A 71 7.933 -12.243 -2.867 1.00 0.00 C ATOM 828 O ASN A 71 7.911 -12.268 -1.637 1.00 0.00 O ATOM 829 CB ASN A 71 8.505 -14.648 -3.219 1.00 0.00 C ATOM 830 CG ASN A 71 9.985 -14.288 -3.189 1.00 0.00 C ATOM 831 OD1 ASN A 71 10.467 -13.496 -4.002 1.00 0.00 O ATOM 832 ND2 ASN A 71 10.712 -14.856 -2.236 1.00 0.00 N ATOM 0 H ASN A 71 8.725 -12.902 -5.356 1.00 0.00 H new ATOM 0 HA ASN A 71 6.570 -13.773 -3.522 1.00 0.00 H new ATOM 0 HB2 ASN A 71 8.194 -14.964 -2.223 1.00 0.00 H new ATOM 0 HB3 ASN A 71 8.358 -15.499 -3.883 1.00 0.00 H new ATOM 0 HD21 ASN A 71 11.706 -14.642 -2.157 1.00 0.00 H new ATOM 0 HD22 ASN A 71 10.277 -15.506 -1.582 1.00 0.00 H new ATOM 839 N THR A 72 8.251 -11.162 -3.568 1.00 0.00 N ATOM 840 CA THR A 72 8.567 -9.899 -2.937 1.00 0.00 C ATOM 841 C THR A 72 7.632 -8.810 -3.461 1.00 0.00 C ATOM 842 O THR A 72 7.728 -8.396 -4.616 1.00 0.00 O ATOM 843 CB THR A 72 10.025 -9.507 -3.206 1.00 0.00 C ATOM 844 OG1 THR A 72 10.885 -10.629 -2.946 1.00 0.00 O ATOM 845 CG2 THR A 72 10.425 -8.345 -2.325 1.00 0.00 C ATOM 0 H THR A 72 8.295 -11.142 -4.587 1.00 0.00 H new ATOM 0 HA THR A 72 8.431 -10.007 -1.861 1.00 0.00 H new ATOM 0 HB THR A 72 10.123 -9.209 -4.250 1.00 0.00 H new ATOM 0 HG1 THR A 72 11.815 -10.375 -3.121 1.00 0.00 H new ATOM 0 HG21 THR A 72 11.462 -8.076 -2.526 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.782 -7.491 -2.535 1.00 0.00 H new ATOM 0 HG23 THR A 72 10.320 -8.629 -1.278 1.00 0.00 H new ATOM 853 N TRP A 73 6.716 -8.368 -2.612 1.00 0.00 N ATOM 854 CA TRP A 73 5.683 -7.422 -3.022 1.00 0.00 C ATOM 855 C TRP A 73 5.975 -6.033 -2.480 1.00 0.00 C ATOM 856 O TRP A 73 6.566 -5.898 -1.412 1.00 0.00 O ATOM 857 CB TRP A 73 4.316 -7.906 -2.541 1.00 0.00 C ATOM 858 CG TRP A 73 3.849 -9.137 -3.255 1.00 0.00 C ATOM 859 CD1 TRP A 73 4.497 -9.803 -4.254 1.00 0.00 C ATOM 860 CD2 TRP A 73 2.632 -9.846 -3.028 1.00 0.00 C ATOM 861 NE1 TRP A 73 3.759 -10.884 -4.658 1.00 0.00 N ATOM 862 CE2 TRP A 73 2.612 -10.935 -3.921 1.00 0.00 C ATOM 863 CE3 TRP A 73 1.561 -9.674 -2.155 1.00 0.00 C ATOM 864 CZ2 TRP A 73 1.562 -11.837 -3.964 1.00 0.00 C ATOM 865 CZ3 TRP A 73 0.520 -10.573 -2.201 1.00 0.00 C ATOM 866 CH2 TRP A 73 0.530 -11.643 -3.099 1.00 0.00 C ATOM 0 H TRP A 73 6.665 -8.649 -1.633 1.00 0.00 H new ATOM 0 HA TRP A 73 5.677 -7.364 -4.110 1.00 0.00 H new ATOM 0 HB2 TRP A 73 4.364 -8.109 -1.471 1.00 0.00 H new ATOM 0 HB3 TRP A 73 3.584 -7.111 -2.682 1.00 0.00 H new ATOM 0 HD1 TRP A 73 5.454 -9.519 -4.667 1.00 0.00 H new ATOM 0 HE1 TRP A 73 4.024 -11.543 -5.390 1.00 0.00 H new ATOM 0 HE3 TRP A 73 1.547 -8.851 -1.455 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 1.562 -12.664 -4.659 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -0.319 -10.449 -1.532 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -0.301 -12.333 -3.107 1.00 0.00 H new ATOM 877 N PHE A 74 5.567 -5.006 -3.224 1.00 0.00 N ATOM 878 CA PHE A 74 5.858 -3.627 -2.839 1.00 0.00 C ATOM 879 C PHE A 74 4.576 -2.796 -2.741 1.00 0.00 C ATOM 880 O PHE A 74 3.849 -2.632 -3.724 1.00 0.00 O ATOM 881 CB PHE A 74 6.817 -2.985 -3.849 1.00 0.00 C ATOM 882 CG PHE A 74 7.944 -3.891 -4.264 1.00 0.00 C ATOM 883 CD1 PHE A 74 8.951 -4.233 -3.372 1.00 0.00 C ATOM 884 CD2 PHE A 74 7.988 -4.411 -5.548 1.00 0.00 C ATOM 885 CE1 PHE A 74 9.977 -5.075 -3.756 1.00 0.00 C ATOM 886 CE2 PHE A 74 9.010 -5.255 -5.934 1.00 0.00 C ATOM 887 CZ PHE A 74 10.006 -5.587 -5.037 1.00 0.00 C ATOM 0 H PHE A 74 5.038 -5.102 -4.091 1.00 0.00 H new ATOM 0 HA PHE A 74 6.329 -3.647 -1.856 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.255 -2.688 -4.734 1.00 0.00 H new ATOM 0 HB3 PHE A 74 7.233 -2.075 -3.416 1.00 0.00 H new ATOM 0 HD1 PHE A 74 8.932 -3.837 -2.367 1.00 0.00 H new ATOM 0 HD2 PHE A 74 7.213 -4.153 -6.255 1.00 0.00 H new ATOM 0 HE1 PHE A 74 10.756 -5.332 -3.054 1.00 0.00 H new ATOM 0 HE2 PHE A 74 9.031 -5.655 -6.937 1.00 0.00 H new ATOM 0 HZ PHE A 74 10.807 -6.247 -5.338 1.00 0.00 H new ATOM 897 N TYR A 75 4.304 -2.294 -1.544 1.00 0.00 N ATOM 898 CA TYR A 75 3.157 -1.420 -1.292 1.00 0.00 C ATOM 899 C TYR A 75 3.631 -0.163 -0.566 1.00 0.00 C ATOM 900 O TYR A 75 4.802 -0.068 -0.217 1.00 0.00 O ATOM 901 CB TYR A 75 2.109 -2.141 -0.449 1.00 0.00 C ATOM 902 CG TYR A 75 1.597 -3.420 -1.057 1.00 0.00 C ATOM 903 CD1 TYR A 75 0.710 -3.405 -2.124 1.00 0.00 C ATOM 904 CD2 TYR A 75 1.992 -4.642 -0.548 1.00 0.00 C ATOM 905 CE1 TYR A 75 0.230 -4.579 -2.670 1.00 0.00 C ATOM 906 CE2 TYR A 75 1.523 -5.828 -1.087 1.00 0.00 C ATOM 907 CZ TYR A 75 0.639 -5.788 -2.150 1.00 0.00 C ATOM 908 OH TYR A 75 0.158 -6.958 -2.693 1.00 0.00 O ATOM 0 H TYR A 75 4.871 -2.479 -0.717 1.00 0.00 H new ATOM 0 HA TYR A 75 2.704 -1.146 -2.245 1.00 0.00 H new ATOM 0 HB2 TYR A 75 2.536 -2.363 0.529 1.00 0.00 H new ATOM 0 HB3 TYR A 75 1.267 -1.469 -0.284 1.00 0.00 H new ATOM 0 HD1 TYR A 75 0.390 -2.459 -2.534 1.00 0.00 H new ATOM 0 HD2 TYR A 75 2.679 -4.673 0.285 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -0.461 -4.550 -3.499 1.00 0.00 H new ATOM 0 HE2 TYR A 75 1.845 -6.776 -0.681 1.00 0.00 H new ATOM 0 HH TYR A 75 0.785 -7.687 -2.507 1.00 0.00 H new ATOM 918 N VAL A 76 2.733 0.792 -0.335 1.00 0.00 N ATOM 919 CA VAL A 76 3.112 2.065 0.282 1.00 0.00 C ATOM 920 C VAL A 76 2.287 2.285 1.552 1.00 0.00 C ATOM 921 O VAL A 76 1.303 1.582 1.781 1.00 0.00 O ATOM 922 CB VAL A 76 2.895 3.253 -0.697 1.00 0.00 C ATOM 923 CG1 VAL A 76 3.613 4.508 -0.216 1.00 0.00 C ATOM 924 CG2 VAL A 76 3.352 2.892 -2.104 1.00 0.00 C ATOM 0 H VAL A 76 1.742 0.711 -0.564 1.00 0.00 H new ATOM 0 HA VAL A 76 4.172 2.021 0.532 1.00 0.00 H new ATOM 0 HB VAL A 76 1.825 3.462 -0.722 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.441 5.319 -0.923 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.230 4.793 0.764 1.00 0.00 H new ATOM 0 HG13 VAL A 76 4.683 4.310 -0.144 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.189 3.741 -2.768 1.00 0.00 H new ATOM 0 HG22 VAL A 76 4.413 2.641 -2.089 1.00 0.00 H new ATOM 0 HG23 VAL A 76 2.782 2.035 -2.463 1.00 0.00 H new ATOM 934 N PHE A 77 2.697 3.235 2.389 1.00 0.00 N ATOM 935 CA PHE A 77 1.934 3.569 3.582 1.00 0.00 C ATOM 936 C PHE A 77 0.982 4.724 3.304 1.00 0.00 C ATOM 937 O PHE A 77 0.917 5.227 2.184 1.00 0.00 O ATOM 938 CB PHE A 77 2.854 3.908 4.760 1.00 0.00 C ATOM 939 CG PHE A 77 3.347 2.712 5.533 1.00 0.00 C ATOM 940 CD1 PHE A 77 3.016 1.418 5.151 1.00 0.00 C ATOM 941 CD2 PHE A 77 4.134 2.890 6.660 1.00 0.00 C ATOM 942 CE1 PHE A 77 3.461 0.332 5.877 1.00 0.00 C ATOM 943 CE2 PHE A 77 4.582 1.805 7.390 1.00 0.00 C ATOM 944 CZ PHE A 77 4.244 0.525 6.998 1.00 0.00 C ATOM 0 H PHE A 77 3.548 3.782 2.262 1.00 0.00 H new ATOM 0 HA PHE A 77 1.349 2.691 3.856 1.00 0.00 H new ATOM 0 HB2 PHE A 77 3.714 4.462 4.385 1.00 0.00 H new ATOM 0 HB3 PHE A 77 2.321 4.571 5.442 1.00 0.00 H new ATOM 0 HD1 PHE A 77 2.403 1.260 4.276 1.00 0.00 H new ATOM 0 HD2 PHE A 77 4.401 3.889 6.972 1.00 0.00 H new ATOM 0 HE1 PHE A 77 3.197 -0.669 5.568 1.00 0.00 H new ATOM 0 HE2 PHE A 77 5.195 1.958 8.266 1.00 0.00 H new ATOM 0 HZ PHE A 77 4.592 -0.324 7.567 1.00 0.00 H new ATOM 1137 N THR A 90 7.669 1.498 2.575 1.00 0.00 N ATOM 1138 CA THR A 90 7.015 0.600 1.661 1.00 0.00 C ATOM 1139 C THR A 90 6.825 -0.756 2.303 1.00 0.00 C ATOM 1140 O THR A 90 7.650 -1.197 3.106 1.00 0.00 O ATOM 1141 CB THR A 90 7.832 0.436 0.368 1.00 0.00 C ATOM 1142 OG1 THR A 90 9.207 0.183 0.685 1.00 0.00 O ATOM 1143 CG2 THR A 90 7.721 1.681 -0.490 1.00 0.00 C ATOM 0 HA THR A 90 6.044 1.028 1.413 1.00 0.00 H new ATOM 0 HB THR A 90 7.432 -0.410 -0.190 1.00 0.00 H new ATOM 0 HG1 THR A 90 9.390 0.474 1.603 1.00 0.00 H new ATOM 0 HG21 THR A 90 8.305 1.548 -1.401 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.676 1.852 -0.750 1.00 0.00 H new ATOM 0 HG23 THR A 90 8.102 2.539 0.063 1.00 0.00 H new ATOM 1151 N LEU A 91 5.740 -1.413 1.950 1.00 0.00 N ATOM 1152 CA LEU A 91 5.479 -2.736 2.465 1.00 0.00 C ATOM 1153 C LEU A 91 6.103 -3.751 1.537 1.00 0.00 C ATOM 1154 O LEU A 91 5.587 -4.016 0.452 1.00 0.00 O ATOM 1155 CB LEU A 91 3.985 -3.027 2.588 1.00 0.00 C ATOM 1156 CG LEU A 91 3.672 -4.246 3.444 1.00 0.00 C ATOM 1157 CD1 LEU A 91 3.838 -3.912 4.907 1.00 0.00 C ATOM 1158 CD2 LEU A 91 2.281 -4.792 3.196 1.00 0.00 C ATOM 0 H LEU A 91 5.030 -1.053 1.312 1.00 0.00 H new ATOM 0 HA LEU A 91 5.910 -2.796 3.464 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.487 -2.156 3.014 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.569 -3.176 1.592 1.00 0.00 H new ATOM 0 HG LEU A 91 4.380 -5.024 3.159 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.611 -4.792 5.509 1.00 0.00 H new ATOM 0 HD12 LEU A 91 4.865 -3.599 5.094 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.158 -3.104 5.175 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.112 -5.660 3.833 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.542 -4.024 3.426 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.186 -5.085 2.150 1.00 0.00 H new ATOM 1170 N THR A 92 7.224 -4.291 1.958 1.00 0.00 N ATOM 1171 CA THR A 92 7.906 -5.304 1.196 1.00 0.00 C ATOM 1172 C THR A 92 7.541 -6.657 1.761 1.00 0.00 C ATOM 1173 O THR A 92 8.051 -7.073 2.796 1.00 0.00 O ATOM 1174 CB THR A 92 9.427 -5.111 1.243 1.00 0.00 C ATOM 1175 OG1 THR A 92 9.740 -3.743 0.942 1.00 0.00 O ATOM 1176 CG2 THR A 92 10.105 -6.031 0.241 1.00 0.00 C ATOM 0 H THR A 92 7.684 -4.040 2.833 1.00 0.00 H new ATOM 0 HA THR A 92 7.598 -5.230 0.153 1.00 0.00 H new ATOM 0 HB THR A 92 9.790 -5.357 2.241 1.00 0.00 H new ATOM 0 HG1 THR A 92 10.711 -3.615 0.973 1.00 0.00 H new ATOM 0 HG21 THR A 92 11.184 -5.884 0.284 1.00 0.00 H new ATOM 0 HG22 THR A 92 9.870 -7.068 0.482 1.00 0.00 H new ATOM 0 HG23 THR A 92 9.748 -5.802 -0.763 1.00 0.00 H new ATOM 1184 N LEU A 93 6.629 -7.329 1.104 1.00 0.00 N ATOM 1185 CA LEU A 93 6.098 -8.549 1.653 1.00 0.00 C ATOM 1186 C LEU A 93 6.981 -9.723 1.275 1.00 0.00 C ATOM 1187 O LEU A 93 7.213 -9.977 0.092 1.00 0.00 O ATOM 1188 CB LEU A 93 4.662 -8.779 1.201 1.00 0.00 C ATOM 1189 CG LEU A 93 3.830 -9.491 2.233 1.00 0.00 C ATOM 1190 CD1 LEU A 93 3.725 -8.629 3.473 1.00 0.00 C ATOM 1191 CD2 LEU A 93 2.463 -9.824 1.703 1.00 0.00 C ATOM 0 H LEU A 93 6.243 -7.056 0.200 1.00 0.00 H new ATOM 0 HA LEU A 93 6.088 -8.458 2.739 1.00 0.00 H new ATOM 0 HB2 LEU A 93 4.201 -7.819 0.970 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.665 -9.361 0.280 1.00 0.00 H new ATOM 0 HG LEU A 93 4.318 -10.433 2.484 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.123 -9.142 4.223 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.722 -8.444 3.873 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.255 -7.680 3.217 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.889 -10.338 2.474 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.949 -8.906 1.419 1.00 0.00 H new ATOM 0 HD23 LEU A 93 2.559 -10.471 0.831 1.00 0.00 H new ATOM 1203 N THR A 94 7.486 -10.415 2.284 1.00 0.00 N ATOM 1204 CA THR A 94 8.407 -11.489 2.088 1.00 0.00 C ATOM 1205 C THR A 94 7.706 -12.842 2.212 1.00 0.00 C ATOM 1206 O THR A 94 7.133 -13.176 3.260 1.00 0.00 O ATOM 1207 CB THR A 94 9.535 -11.377 3.115 1.00 0.00 C ATOM 1208 OG1 THR A 94 10.330 -10.212 2.855 1.00 0.00 O ATOM 1209 CG2 THR A 94 10.384 -12.614 3.085 1.00 0.00 C ATOM 0 H THR A 94 7.258 -10.235 3.262 1.00 0.00 H new ATOM 0 HA THR A 94 8.821 -11.421 1.082 1.00 0.00 H new ATOM 0 HB THR A 94 9.099 -11.280 4.109 1.00 0.00 H new ATOM 0 HG1 THR A 94 10.441 -9.700 3.683 1.00 0.00 H new ATOM 0 HG21 THR A 94 11.184 -12.524 3.820 1.00 0.00 H new ATOM 0 HG22 THR A 94 9.770 -13.483 3.322 1.00 0.00 H new ATOM 0 HG23 THR A 94 10.816 -12.735 2.091 1.00 0.00 H new ATOM 1217 N PHE A 95 7.757 -13.605 1.130 1.00 0.00 N ATOM 1218 CA PHE A 95 7.140 -14.922 1.070 1.00 0.00 C ATOM 1219 C PHE A 95 8.202 -16.002 0.952 1.00 0.00 C ATOM 1220 O PHE A 95 9.225 -15.811 0.287 1.00 0.00 O ATOM 1221 CB PHE A 95 6.197 -15.023 -0.133 1.00 0.00 C ATOM 1222 CG PHE A 95 4.924 -14.255 0.013 1.00 0.00 C ATOM 1223 CD1 PHE A 95 3.883 -14.789 0.737 1.00 0.00 C ATOM 1224 CD2 PHE A 95 4.762 -13.014 -0.574 1.00 0.00 C ATOM 1225 CE1 PHE A 95 2.698 -14.111 0.880 1.00 0.00 C ATOM 1226 CE2 PHE A 95 3.574 -12.325 -0.437 1.00 0.00 C ATOM 1227 CZ PHE A 95 2.541 -12.879 0.294 1.00 0.00 C ATOM 0 H PHE A 95 8.228 -13.328 0.268 1.00 0.00 H new ATOM 0 HA PHE A 95 6.572 -15.065 1.989 1.00 0.00 H new ATOM 0 HB2 PHE A 95 6.721 -14.668 -1.020 1.00 0.00 H new ATOM 0 HB3 PHE A 95 5.956 -16.072 -0.303 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.000 -15.757 1.200 1.00 0.00 H new ATOM 0 HD2 PHE A 95 5.571 -12.581 -1.144 1.00 0.00 H new ATOM 0 HE1 PHE A 95 1.891 -14.545 1.452 1.00 0.00 H new ATOM 0 HE2 PHE A 95 3.452 -11.357 -0.899 1.00 0.00 H new ATOM 0 HZ PHE A 95 1.610 -12.343 0.405 1.00 0.00 H new ATOM 1237 N ASN A 96 7.968 -17.125 1.618 1.00 0.00 N ATOM 1238 CA ASN A 96 8.852 -18.277 1.503 1.00 0.00 C ATOM 1239 C ASN A 96 8.633 -19.003 0.179 1.00 0.00 C ATOM 1240 O ASN A 96 7.807 -18.583 -0.633 1.00 0.00 O ATOM 1241 CB ASN A 96 8.679 -19.245 2.683 1.00 0.00 C ATOM 1242 CG ASN A 96 7.258 -19.744 2.866 1.00 0.00 C ATOM 1243 OD1 ASN A 96 6.502 -19.909 1.907 1.00 0.00 O ATOM 1244 ND2 ASN A 96 6.887 -19.984 4.114 1.00 0.00 N ATOM 0 H ASN A 96 7.174 -17.263 2.243 1.00 0.00 H new ATOM 0 HA ASN A 96 9.876 -17.903 1.527 1.00 0.00 H new ATOM 0 HB2 ASN A 96 9.338 -20.101 2.538 1.00 0.00 H new ATOM 0 HB3 ASN A 96 9.000 -18.747 3.598 1.00 0.00 H new ATOM 0 HD21 ASN A 96 5.944 -20.319 4.310 1.00 0.00 H new ATOM 0 HD22 ASN A 96 7.544 -19.834 4.879 1.00 0.00 H new ATOM 1251 N SER A 97 9.349 -20.097 -0.020 1.00 0.00 N ATOM 1252 CA SER A 97 9.286 -20.857 -1.262 1.00 0.00 C ATOM 1253 C SER A 97 7.857 -21.312 -1.597 1.00 0.00 C ATOM 1254 O SER A 97 7.488 -21.409 -2.769 1.00 0.00 O ATOM 1255 CB SER A 97 10.210 -22.063 -1.143 1.00 0.00 C ATOM 1256 OG SER A 97 11.430 -21.687 -0.526 1.00 0.00 O ATOM 0 H SER A 97 9.990 -20.485 0.672 1.00 0.00 H new ATOM 0 HA SER A 97 9.607 -20.209 -2.078 1.00 0.00 H new ATOM 0 HB2 SER A 97 9.725 -22.845 -0.559 1.00 0.00 H new ATOM 0 HB3 SER A 97 10.407 -22.478 -2.131 1.00 0.00 H new ATOM 0 HG SER A 97 12.015 -22.470 -0.453 1.00 0.00 H new ATOM 1262 N SER A 98 7.045 -21.549 -0.572 1.00 0.00 N ATOM 1263 CA SER A 98 5.720 -22.112 -0.771 1.00 0.00 C ATOM 1264 C SER A 98 4.695 -21.022 -1.070 1.00 0.00 C ATOM 1265 O SER A 98 3.530 -21.312 -1.339 1.00 0.00 O ATOM 1266 CB SER A 98 5.295 -22.911 0.465 1.00 0.00 C ATOM 1267 OG SER A 98 4.036 -23.535 0.274 1.00 0.00 O ATOM 0 H SER A 98 7.283 -21.360 0.402 1.00 0.00 H new ATOM 0 HA SER A 98 5.763 -22.780 -1.632 1.00 0.00 H new ATOM 0 HB2 SER A 98 6.047 -23.668 0.686 1.00 0.00 H new ATOM 0 HB3 SER A 98 5.246 -22.248 1.329 1.00 0.00 H new ATOM 0 HG SER A 98 3.547 -23.073 -0.438 1.00 0.00 H new ATOM 1273 N GLY A 99 5.132 -19.769 -1.024 1.00 0.00 N ATOM 1274 CA GLY A 99 4.227 -18.662 -1.264 1.00 0.00 C ATOM 1275 C GLY A 99 3.448 -18.306 -0.019 1.00 0.00 C ATOM 1276 O GLY A 99 2.292 -17.884 -0.088 1.00 0.00 O ATOM 0 H GLY A 99 6.096 -19.500 -0.825 1.00 0.00 H new ATOM 0 HA2 GLY A 99 4.793 -17.794 -1.601 1.00 0.00 H new ATOM 0 HA3 GLY A 99 3.536 -18.923 -2.065 1.00 0.00 H new ATOM 1280 N VAL A 100 4.092 -18.489 1.121 1.00 0.00 N ATOM 1281 CA VAL A 100 3.479 -18.226 2.409 1.00 0.00 C ATOM 1282 C VAL A 100 4.181 -17.055 3.085 1.00 0.00 C ATOM 1283 O VAL A 100 5.405 -16.934 3.003 1.00 0.00 O ATOM 1284 CB VAL A 100 3.566 -19.458 3.325 1.00 0.00 C ATOM 1285 CG1 VAL A 100 2.623 -19.305 4.505 1.00 0.00 C ATOM 1286 CG2 VAL A 100 3.260 -20.727 2.550 1.00 0.00 C ATOM 0 H VAL A 100 5.054 -18.824 1.178 1.00 0.00 H new ATOM 0 HA VAL A 100 2.429 -17.987 2.240 1.00 0.00 H new ATOM 0 HB VAL A 100 4.584 -19.535 3.706 1.00 0.00 H new ATOM 0 HG11 VAL A 100 2.695 -20.184 5.145 1.00 0.00 H new ATOM 0 HG12 VAL A 100 2.896 -18.417 5.076 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.600 -19.203 4.142 1.00 0.00 H new ATOM 0 HG21 VAL A 100 3.327 -21.586 3.217 1.00 0.00 H new ATOM 0 HG22 VAL A 100 2.253 -20.667 2.136 1.00 0.00 H new ATOM 0 HG23 VAL A 100 3.979 -20.840 1.739 1.00 0.00 H new ATOM 1296 N LEU A 101 3.403 -16.182 3.717 1.00 0.00 N ATOM 1297 CA LEU A 101 3.946 -15.035 4.422 1.00 0.00 C ATOM 1298 C LEU A 101 4.868 -15.439 5.552 1.00 0.00 C ATOM 1299 O LEU A 101 4.478 -16.168 6.467 1.00 0.00 O ATOM 1300 CB LEU A 101 2.823 -14.178 4.971 1.00 0.00 C ATOM 1301 CG LEU A 101 2.502 -12.965 4.122 1.00 0.00 C ATOM 1302 CD1 LEU A 101 1.420 -12.135 4.773 1.00 0.00 C ATOM 1303 CD2 LEU A 101 3.749 -12.136 3.908 1.00 0.00 C ATOM 0 H LEU A 101 2.386 -16.252 3.753 1.00 0.00 H new ATOM 0 HA LEU A 101 4.532 -14.466 3.700 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.926 -14.790 5.066 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.090 -13.846 5.974 1.00 0.00 H new ATOM 0 HG LEU A 101 2.137 -13.303 3.152 1.00 0.00 H new ATOM 0 HD11 LEU A 101 1.202 -11.268 4.150 1.00 0.00 H new ATOM 0 HD12 LEU A 101 0.518 -12.737 4.886 1.00 0.00 H new ATOM 0 HD13 LEU A 101 1.758 -11.801 5.754 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.507 -11.267 3.297 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.136 -11.806 4.872 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.503 -12.738 3.401 1.00 0.00 H new ATOM 1315 N THR A 102 6.086 -14.941 5.483 1.00 0.00 N ATOM 1316 CA THR A 102 7.071 -15.188 6.520 1.00 0.00 C ATOM 1317 C THR A 102 7.343 -13.911 7.293 1.00 0.00 C ATOM 1318 O THR A 102 7.490 -13.923 8.516 1.00 0.00 O ATOM 1319 CB THR A 102 8.388 -15.724 5.928 1.00 0.00 C ATOM 1320 OG1 THR A 102 9.137 -14.664 5.318 1.00 0.00 O ATOM 1321 CG2 THR A 102 8.087 -16.765 4.877 1.00 0.00 C ATOM 0 H THR A 102 6.420 -14.359 4.715 1.00 0.00 H new ATOM 0 HA THR A 102 6.666 -15.945 7.192 1.00 0.00 H new ATOM 0 HB THR A 102 8.973 -16.161 6.738 1.00 0.00 H new ATOM 0 HG1 THR A 102 9.971 -15.023 4.949 1.00 0.00 H new ATOM 0 HG21 THR A 102 9.021 -17.142 4.460 1.00 0.00 H new ATOM 0 HG22 THR A 102 7.533 -17.588 5.328 1.00 0.00 H new ATOM 0 HG23 THR A 102 7.490 -16.318 4.082 1.00 0.00 H new ATOM 1329 N ASN A 103 7.390 -12.802 6.576 1.00 0.00 N ATOM 1330 CA ASN A 103 7.609 -11.516 7.219 1.00 0.00 C ATOM 1331 C ASN A 103 6.916 -10.395 6.469 1.00 0.00 C ATOM 1332 O ASN A 103 6.731 -10.458 5.250 1.00 0.00 O ATOM 1333 CB ASN A 103 9.100 -11.195 7.308 1.00 0.00 C ATOM 1334 CG ASN A 103 9.386 -10.059 8.273 1.00 0.00 C ATOM 1335 OD1 ASN A 103 8.733 -9.929 9.310 1.00 0.00 O ATOM 1336 ND2 ASN A 103 10.337 -9.208 7.930 1.00 0.00 N ATOM 0 H ASN A 103 7.281 -12.764 5.563 1.00 0.00 H new ATOM 0 HA ASN A 103 7.188 -11.590 8.222 1.00 0.00 H new ATOM 0 HB2 ASN A 103 9.643 -12.085 7.626 1.00 0.00 H new ATOM 0 HB3 ASN A 103 9.473 -10.931 6.318 1.00 0.00 H new ATOM 0 HD21 ASN A 103 10.551 -8.412 8.531 1.00 0.00 H new ATOM 0 HD22 ASN A 103 10.858 -9.347 7.064 1.00 0.00 H new ATOM 1343 N ILE A 104 6.533 -9.373 7.210 1.00 0.00 N ATOM 1344 CA ILE A 104 6.029 -8.152 6.619 1.00 0.00 C ATOM 1345 C ILE A 104 7.124 -7.093 6.741 1.00 0.00 C ATOM 1346 O ILE A 104 7.219 -6.409 7.762 1.00 0.00 O ATOM 1347 CB ILE A 104 4.765 -7.625 7.346 1.00 0.00 C ATOM 1348 CG1 ILE A 104 3.839 -8.769 7.806 1.00 0.00 C ATOM 1349 CG2 ILE A 104 4.011 -6.638 6.456 1.00 0.00 C ATOM 1350 CD1 ILE A 104 3.202 -9.567 6.693 1.00 0.00 C ATOM 0 H ILE A 104 6.562 -9.366 8.230 1.00 0.00 H new ATOM 0 HA ILE A 104 5.759 -8.357 5.583 1.00 0.00 H new ATOM 0 HB ILE A 104 5.098 -7.105 8.244 1.00 0.00 H new ATOM 0 HG12 ILE A 104 4.413 -9.448 8.436 1.00 0.00 H new ATOM 0 HG13 ILE A 104 3.049 -8.348 8.428 1.00 0.00 H new ATOM 0 HG21 ILE A 104 3.126 -6.277 6.981 1.00 0.00 H new ATOM 0 HG22 ILE A 104 4.660 -5.795 6.216 1.00 0.00 H new ATOM 0 HG23 ILE A 104 3.708 -7.136 5.535 1.00 0.00 H new ATOM 0 HD11 ILE A 104 2.570 -10.346 7.119 1.00 0.00 H new ATOM 0 HD12 ILE A 104 2.595 -8.907 6.073 1.00 0.00 H new ATOM 0 HD13 ILE A 104 3.980 -10.024 6.082 1.00 0.00 H new ATOM 1362 N ASP A 105 7.957 -6.962 5.720 1.00 0.00 N ATOM 1363 CA ASP A 105 9.064 -6.026 5.780 1.00 0.00 C ATOM 1364 C ASP A 105 8.598 -4.638 5.397 1.00 0.00 C ATOM 1365 O ASP A 105 8.552 -4.283 4.225 1.00 0.00 O ATOM 1366 CB ASP A 105 10.199 -6.468 4.854 1.00 0.00 C ATOM 1367 CG ASP A 105 10.988 -7.638 5.400 1.00 0.00 C ATOM 1368 OD1 ASP A 105 11.935 -7.406 6.178 1.00 0.00 O ATOM 1369 OD2 ASP A 105 10.667 -8.797 5.056 1.00 0.00 O ATOM 0 H ASP A 105 7.887 -7.487 4.849 1.00 0.00 H new ATOM 0 HA ASP A 105 9.438 -6.007 6.804 1.00 0.00 H new ATOM 0 HB2 ASP A 105 9.784 -6.739 3.883 1.00 0.00 H new ATOM 0 HB3 ASP A 105 10.873 -5.628 4.689 1.00 0.00 H new ATOM 1374 N ASN A 106 8.261 -3.847 6.389 1.00 0.00 N ATOM 1375 CA ASN A 106 7.863 -2.487 6.148 1.00 0.00 C ATOM 1376 C ASN A 106 9.070 -1.581 6.321 1.00 0.00 C ATOM 1377 O ASN A 106 9.498 -1.277 7.429 1.00 0.00 O ATOM 1378 CB ASN A 106 6.694 -2.093 7.062 1.00 0.00 C ATOM 1379 CG ASN A 106 6.854 -2.535 8.515 1.00 0.00 C ATOM 1380 OD1 ASN A 106 7.962 -2.649 9.038 1.00 0.00 O ATOM 1381 ND2 ASN A 106 5.739 -2.801 9.176 1.00 0.00 N ATOM 0 H ASN A 106 8.256 -4.126 7.370 1.00 0.00 H new ATOM 0 HA ASN A 106 7.501 -2.378 5.125 1.00 0.00 H new ATOM 0 HB2 ASN A 106 6.577 -1.010 7.035 1.00 0.00 H new ATOM 0 HB3 ASN A 106 5.775 -2.523 6.663 1.00 0.00 H new ATOM 0 HD21 ASN A 106 5.783 -3.110 10.147 1.00 0.00 H new ATOM 0 HD22 ASN A 106 4.835 -2.697 8.715 1.00 0.00 H new ATOM 1388 N LYS A 107 9.627 -1.176 5.200 1.00 0.00 N ATOM 1389 CA LYS A 107 10.884 -0.444 5.193 1.00 0.00 C ATOM 1390 C LYS A 107 10.793 0.826 4.372 1.00 0.00 C ATOM 1391 O LYS A 107 10.045 0.912 3.403 1.00 0.00 O ATOM 1392 CB LYS A 107 12.009 -1.338 4.681 1.00 0.00 C ATOM 1393 CG LYS A 107 12.405 -2.383 5.697 1.00 0.00 C ATOM 1394 CD LYS A 107 13.475 -1.880 6.646 1.00 0.00 C ATOM 1395 CE LYS A 107 13.590 -2.774 7.874 1.00 0.00 C ATOM 1396 NZ LYS A 107 12.342 -2.762 8.688 1.00 0.00 N ATOM 0 H LYS A 107 9.230 -1.340 4.275 1.00 0.00 H new ATOM 0 HA LYS A 107 11.104 -0.149 6.219 1.00 0.00 H new ATOM 0 HB2 LYS A 107 11.693 -1.828 3.760 1.00 0.00 H new ATOM 0 HB3 LYS A 107 12.876 -0.725 4.434 1.00 0.00 H new ATOM 0 HG2 LYS A 107 11.527 -2.684 6.268 1.00 0.00 H new ATOM 0 HG3 LYS A 107 12.768 -3.271 5.180 1.00 0.00 H new ATOM 0 HD2 LYS A 107 14.434 -1.843 6.129 1.00 0.00 H new ATOM 0 HD3 LYS A 107 13.240 -0.862 6.956 1.00 0.00 H new ATOM 0 HE2 LYS A 107 13.810 -3.795 7.561 1.00 0.00 H new ATOM 0 HE3 LYS A 107 14.427 -2.442 8.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 12.566 -3.021 9.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 11.923 -1.810 8.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 11.665 -3.447 8.295 1.00 0.00 H new