USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 644 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 49 HIS : no HD1:sc= 0.394 K(o=-0.31,f=-9.3!) USER MOD Set 1.2: A 112 GLN : amide:sc= -0.707 K(o=-0.31,f=-3.3) USER MOD Set 2.1: A 28 CYS SG : rot 180:sc= 0 USER MOD Set 2.2: A 76 THR OG1 : rot -144:sc= 0.0922 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 170:sc= 0.0195 (180deg=0) USER MOD Single : A 34 THR OG1 : rot -7:sc= 0.758 USER MOD Single : A 35 SER OG : rot 180:sc= 0.129 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot 74:sc= -0.475 USER MOD Single : A 47 GLN : amide:sc=-0.00757 X(o=-0.0076,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.728 K(o=-0.73,f=-1.7!) USER MOD Single : A 57 GLN : amide:sc= -0.556 X(o=-0.56,f=-0.81) USER MOD Single : A 58 CYS SG : rot 20:sc= -0.339 USER MOD Single : A 61 ASN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 65 THR OG1 : rot -58:sc= 1.17 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl -112:sc= -0.256 (180deg=-0.755) USER MOD Single : A 71 HIS : no HD1:sc= -0.0633 K(o=-0.063,f=-1.3) USER MOD Single : A 74 CYS SG : rot 180:sc= -0.564 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=-0.0089) USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= -1.03 X(o=-1,f=-1.4) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 LYS NZ :NH3+ 156:sc= -0.127 (180deg=-0.665) USER MOD Single : A 109 THR OG1 : rot 69:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 317 N LYS A 21 3.751 -0.510 -3.492 1.00 0.00 N ATOM 318 CA LYS A 21 3.715 -0.471 -2.034 1.00 0.00 C ATOM 319 C LYS A 21 2.418 -1.079 -1.513 1.00 0.00 C ATOM 320 O LYS A 21 2.405 -2.203 -1.012 1.00 0.00 O ATOM 321 CB LYS A 21 3.844 0.966 -1.530 1.00 0.00 C ATOM 322 CG LYS A 21 5.267 1.497 -1.525 1.00 0.00 C ATOM 323 CD LYS A 21 6.187 0.619 -0.689 1.00 0.00 C ATOM 324 CE LYS A 21 6.797 1.389 0.468 1.00 0.00 C ATOM 325 NZ LYS A 21 5.853 1.508 1.614 1.00 0.00 N ATOM 0 HA LYS A 21 4.557 -1.055 -1.662 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.228 1.615 -2.153 1.00 0.00 H new ATOM 0 HB3 LYS A 21 3.443 1.022 -0.518 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.641 1.548 -2.548 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.276 2.513 -1.131 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.627 -0.233 -0.304 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.981 0.220 -1.320 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.707 0.888 0.798 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.085 2.384 0.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.307 2.040 2.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 4.995 2.008 1.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 5.597 0.559 1.953 1.00 0.00 H new ATOM 339 N ARG A 22 1.328 -0.327 -1.639 1.00 0.00 N ATOM 340 CA ARG A 22 0.024 -0.793 -1.184 1.00 0.00 C ATOM 341 C ARG A 22 -1.011 -0.691 -2.292 1.00 0.00 C ATOM 342 O ARG A 22 -0.871 0.106 -3.219 1.00 0.00 O ATOM 343 CB ARG A 22 -0.446 0.012 0.028 1.00 0.00 C ATOM 344 CG ARG A 22 0.546 0.007 1.176 1.00 0.00 C ATOM 345 CD ARG A 22 -0.152 -0.047 2.526 1.00 0.00 C ATOM 346 NE ARG A 22 0.371 0.951 3.460 1.00 0.00 N ATOM 347 CZ ARG A 22 1.668 1.117 3.733 1.00 0.00 C ATOM 348 NH1 ARG A 22 2.585 0.327 3.184 1.00 0.00 N ATOM 349 NH2 ARG A 22 2.050 2.062 4.580 1.00 0.00 N ATOM 0 H ARG A 22 1.323 0.606 -2.052 1.00 0.00 H new ATOM 0 HA ARG A 22 0.132 -1.840 -0.899 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.631 1.042 -0.278 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.396 -0.392 0.377 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.212 -0.850 1.077 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.167 0.901 1.124 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.221 0.113 2.387 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.032 -1.042 2.955 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.298 1.559 3.933 1.00 0.00 H new ATOM 0 HH11 ARG A 22 2.302 -0.417 2.546 1.00 0.00 H new ATOM 0 HH12 ARG A 22 3.572 0.464 3.401 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.354 2.662 5.023 1.00 0.00 H new ATOM 0 HH22 ARG A 22 3.040 2.190 4.789 1.00 0.00 H new ATOM 363 N LYS A 23 -2.051 -1.505 -2.185 1.00 0.00 N ATOM 364 CA LYS A 23 -3.118 -1.515 -3.169 1.00 0.00 C ATOM 365 C LYS A 23 -4.475 -1.408 -2.483 1.00 0.00 C ATOM 366 O LYS A 23 -4.852 -2.280 -1.703 1.00 0.00 O ATOM 367 CB LYS A 23 -3.052 -2.802 -3.988 1.00 0.00 C ATOM 368 CG LYS A 23 -2.162 -2.706 -5.216 1.00 0.00 C ATOM 369 CD LYS A 23 -2.819 -3.344 -6.430 1.00 0.00 C ATOM 370 CE LYS A 23 -2.352 -4.779 -6.628 1.00 0.00 C ATOM 371 NZ LYS A 23 -3.482 -5.746 -6.547 1.00 0.00 N ATOM 0 H LYS A 23 -2.177 -2.170 -1.422 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.993 -0.658 -3.831 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.689 -3.608 -3.351 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.060 -3.073 -4.302 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.943 -1.659 -5.427 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.210 -3.197 -5.016 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -3.902 -3.326 -6.310 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.587 -2.759 -7.320 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.864 -4.871 -7.598 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.607 -5.026 -5.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -3.157 -6.686 -6.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -3.824 -5.799 -5.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.255 -5.429 -7.166 1.00 0.00 H new ATOM 385 N ILE A 24 -5.204 -0.336 -2.766 1.00 0.00 N ATOM 386 CA ILE A 24 -6.516 -0.136 -2.167 1.00 0.00 C ATOM 387 C ILE A 24 -7.610 -0.371 -3.196 1.00 0.00 C ATOM 388 O ILE A 24 -7.395 -0.170 -4.387 1.00 0.00 O ATOM 389 CB ILE A 24 -6.662 1.285 -1.587 1.00 0.00 C ATOM 390 CG1 ILE A 24 -5.525 1.573 -0.604 1.00 0.00 C ATOM 391 CG2 ILE A 24 -8.015 1.453 -0.907 1.00 0.00 C ATOM 392 CD1 ILE A 24 -4.515 2.575 -1.122 1.00 0.00 C ATOM 0 H ILE A 24 -4.911 0.404 -3.403 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.615 -0.855 -1.354 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.604 2.002 -2.406 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.948 1.945 0.329 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.012 0.640 -0.371 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -8.097 2.463 -0.505 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.810 1.286 -1.633 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -8.107 0.731 -0.096 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.739 2.730 -0.373 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.064 2.196 -2.039 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.014 3.522 -1.328 1.00 0.00 H new ATOM 404 N ILE A 25 -8.790 -0.788 -2.742 1.00 0.00 N ATOM 405 CA ILE A 25 -9.907 -1.036 -3.643 1.00 0.00 C ATOM 406 C ILE A 25 -11.067 -0.096 -3.328 1.00 0.00 C ATOM 407 O ILE A 25 -11.307 0.243 -2.170 1.00 0.00 O ATOM 408 CB ILE A 25 -10.406 -2.493 -3.560 1.00 0.00 C ATOM 409 CG1 ILE A 25 -10.492 -2.932 -2.101 1.00 0.00 C ATOM 410 CG2 ILE A 25 -9.505 -3.427 -4.352 1.00 0.00 C ATOM 411 CD1 ILE A 25 -10.783 -4.407 -1.901 1.00 0.00 C ATOM 0 H ILE A 25 -8.995 -0.960 -1.758 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.543 -0.854 -4.654 1.00 0.00 H new ATOM 0 HB ILE A 25 -11.401 -2.542 -4.001 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -9.551 -2.691 -1.607 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -11.270 -2.351 -1.606 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -9.881 -4.447 -4.275 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -9.494 -3.122 -5.398 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.492 -3.383 -3.951 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -10.826 -4.628 -0.835 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -11.739 -4.655 -2.362 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -9.993 -5.000 -2.363 1.00 0.00 H new ATOM 423 N VAL A 26 -11.783 0.328 -4.363 1.00 0.00 N ATOM 424 CA VAL A 26 -12.912 1.235 -4.189 1.00 0.00 C ATOM 425 C VAL A 26 -14.187 0.661 -4.806 1.00 0.00 C ATOM 426 O VAL A 26 -14.234 0.390 -6.006 1.00 0.00 O ATOM 427 CB VAL A 26 -12.618 2.605 -4.831 1.00 0.00 C ATOM 428 CG1 VAL A 26 -13.784 3.561 -4.635 1.00 0.00 C ATOM 429 CG2 VAL A 26 -11.336 3.199 -4.270 1.00 0.00 C ATOM 0 H VAL A 26 -11.602 0.059 -5.330 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.061 1.359 -3.116 1.00 0.00 H new ATOM 0 HB VAL A 26 -12.484 2.452 -5.902 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -13.550 4.520 -5.098 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -14.678 3.144 -5.098 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -13.961 3.706 -3.569 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.148 4.166 -4.737 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.437 3.330 -3.193 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -10.503 2.528 -4.477 1.00 0.00 H new ATOM 439 N ALA A 27 -15.224 0.482 -3.986 1.00 0.00 N ATOM 440 CA ALA A 27 -16.494 -0.052 -4.473 1.00 0.00 C ATOM 441 C ALA A 27 -17.662 0.853 -4.094 1.00 0.00 C ATOM 442 O ALA A 27 -17.875 1.151 -2.918 1.00 0.00 O ATOM 443 CB ALA A 27 -16.717 -1.457 -3.931 1.00 0.00 C ATOM 0 H ALA A 27 -15.209 0.698 -2.989 1.00 0.00 H new ATOM 0 HA ALA A 27 -16.444 -0.094 -5.561 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -17.667 -1.843 -4.301 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -15.907 -2.107 -4.261 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -16.737 -1.428 -2.842 1.00 0.00 H new ATOM 449 N CYS A 28 -18.412 1.296 -5.101 1.00 0.00 N ATOM 450 CA CYS A 28 -19.552 2.179 -4.870 1.00 0.00 C ATOM 451 C CYS A 28 -20.869 1.518 -5.284 1.00 0.00 C ATOM 452 O CYS A 28 -21.591 0.984 -4.444 1.00 0.00 O ATOM 453 CB CYS A 28 -19.356 3.505 -5.614 1.00 0.00 C ATOM 454 SG CYS A 28 -19.438 4.965 -4.548 1.00 0.00 S ATOM 0 H CYS A 28 -18.252 1.059 -6.080 1.00 0.00 H new ATOM 0 HA CYS A 28 -19.608 2.380 -3.800 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -18.389 3.488 -6.117 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -20.117 3.591 -6.390 1.00 0.00 H new ATOM 0 HG CYS A 28 -19.259 6.035 -5.264 1.00 0.00 H new ATOM 510 N THR A 34 -18.944 10.708 -7.504 1.00 0.00 N ATOM 511 CA THR A 34 -18.215 10.402 -6.280 1.00 0.00 C ATOM 512 C THR A 34 -16.953 9.596 -6.581 1.00 0.00 C ATOM 513 O THR A 34 -15.925 9.773 -5.929 1.00 0.00 O ATOM 514 CB THR A 34 -19.109 9.629 -5.308 1.00 0.00 C ATOM 515 OG1 THR A 34 -20.231 9.081 -5.981 1.00 0.00 O ATOM 516 CG2 THR A 34 -19.623 10.479 -4.168 1.00 0.00 C ATOM 0 HA THR A 34 -17.919 11.345 -5.820 1.00 0.00 H new ATOM 0 HB THR A 34 -18.477 8.842 -4.897 1.00 0.00 H new ATOM 0 HG1 THR A 34 -20.249 9.407 -6.905 1.00 0.00 H new ATOM 0 HG21 THR A 34 -20.250 9.872 -3.515 1.00 0.00 H new ATOM 0 HG22 THR A 34 -18.781 10.872 -3.599 1.00 0.00 H new ATOM 0 HG23 THR A 34 -20.209 11.307 -4.567 1.00 0.00 H new ATOM 524 N SER A 35 -17.036 8.707 -7.571 1.00 0.00 N ATOM 525 CA SER A 35 -15.896 7.878 -7.952 1.00 0.00 C ATOM 526 C SER A 35 -14.679 8.740 -8.271 1.00 0.00 C ATOM 527 O SER A 35 -13.578 8.483 -7.783 1.00 0.00 O ATOM 528 CB SER A 35 -16.250 7.005 -9.161 1.00 0.00 C ATOM 529 OG SER A 35 -17.522 7.348 -9.685 1.00 0.00 O ATOM 0 H SER A 35 -17.879 8.544 -8.121 1.00 0.00 H new ATOM 0 HA SER A 35 -15.651 7.233 -7.108 1.00 0.00 H new ATOM 0 HB2 SER A 35 -15.491 7.124 -9.934 1.00 0.00 H new ATOM 0 HB3 SER A 35 -16.245 5.955 -8.869 1.00 0.00 H new ATOM 0 HG SER A 35 -17.723 6.778 -10.456 1.00 0.00 H new ATOM 535 N THR A 36 -14.886 9.767 -9.090 1.00 0.00 N ATOM 536 CA THR A 36 -13.805 10.668 -9.470 1.00 0.00 C ATOM 537 C THR A 36 -13.316 11.464 -8.266 1.00 0.00 C ATOM 538 O THR A 36 -12.121 11.486 -7.970 1.00 0.00 O ATOM 539 CB THR A 36 -14.269 11.623 -10.574 1.00 0.00 C ATOM 540 OG1 THR A 36 -14.697 10.904 -11.719 1.00 0.00 O ATOM 541 CG2 THR A 36 -13.194 12.591 -11.018 1.00 0.00 C ATOM 0 H THR A 36 -15.791 9.995 -9.502 1.00 0.00 H new ATOM 0 HA THR A 36 -12.979 10.065 -9.847 1.00 0.00 H new ATOM 0 HB THR A 36 -15.090 12.190 -10.135 1.00 0.00 H new ATOM 0 HG1 THR A 36 -14.990 11.534 -12.410 1.00 0.00 H new ATOM 0 HG21 THR A 36 -13.588 13.238 -11.801 1.00 0.00 H new ATOM 0 HG22 THR A 36 -12.879 13.198 -10.170 1.00 0.00 H new ATOM 0 HG23 THR A 36 -12.340 12.034 -11.403 1.00 0.00 H new ATOM 549 N MET A 37 -14.246 12.115 -7.569 1.00 0.00 N ATOM 550 CA MET A 37 -13.906 12.912 -6.393 1.00 0.00 C ATOM 551 C MET A 37 -12.987 12.132 -5.461 1.00 0.00 C ATOM 552 O MET A 37 -11.907 12.599 -5.102 1.00 0.00 O ATOM 553 CB MET A 37 -15.173 13.329 -5.647 1.00 0.00 C ATOM 554 CG MET A 37 -15.710 14.684 -6.077 1.00 0.00 C ATOM 555 SD MET A 37 -17.495 14.677 -6.330 1.00 0.00 S ATOM 556 CE MET A 37 -17.978 16.093 -5.348 1.00 0.00 C ATOM 0 H MET A 37 -15.240 12.106 -7.799 1.00 0.00 H new ATOM 0 HA MET A 37 -13.383 13.807 -6.729 1.00 0.00 H new ATOM 0 HB2 MET A 37 -15.944 12.575 -5.805 1.00 0.00 H new ATOM 0 HB3 MET A 37 -14.965 13.352 -4.577 1.00 0.00 H new ATOM 0 HG2 MET A 37 -15.457 15.427 -5.321 1.00 0.00 H new ATOM 0 HG3 MET A 37 -15.218 14.989 -7.000 1.00 0.00 H new ATOM 0 HE1 MET A 37 -19.059 16.222 -5.403 1.00 0.00 H new ATOM 0 HE2 MET A 37 -17.683 15.934 -4.311 1.00 0.00 H new ATOM 0 HE3 MET A 37 -17.486 16.987 -5.732 1.00 0.00 H new ATOM 566 N ALA A 38 -13.420 10.936 -5.084 1.00 0.00 N ATOM 567 CA ALA A 38 -12.631 10.088 -4.205 1.00 0.00 C ATOM 568 C ALA A 38 -11.342 9.663 -4.898 1.00 0.00 C ATOM 569 O ALA A 38 -10.254 9.812 -4.350 1.00 0.00 O ATOM 570 CB ALA A 38 -13.439 8.873 -3.769 1.00 0.00 C ATOM 0 H ALA A 38 -14.311 10.533 -5.373 1.00 0.00 H new ATOM 0 HA ALA A 38 -12.369 10.657 -3.313 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -12.833 8.250 -3.112 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -14.331 9.202 -3.236 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -13.732 8.297 -4.647 1.00 0.00 H new ATOM 576 N ALA A 39 -11.472 9.141 -6.114 1.00 0.00 N ATOM 577 CA ALA A 39 -10.314 8.698 -6.886 1.00 0.00 C ATOM 578 C ALA A 39 -9.229 9.773 -6.939 1.00 0.00 C ATOM 579 O ALA A 39 -8.075 9.518 -6.597 1.00 0.00 O ATOM 580 CB ALA A 39 -10.738 8.307 -8.294 1.00 0.00 C ATOM 0 H ALA A 39 -12.367 9.014 -6.587 1.00 0.00 H new ATOM 0 HA ALA A 39 -9.894 7.826 -6.384 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -9.865 7.979 -8.859 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -11.464 7.495 -8.243 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -11.189 9.166 -8.790 1.00 0.00 H new ATOM 586 N GLU A 40 -9.606 10.974 -7.369 1.00 0.00 N ATOM 587 CA GLU A 40 -8.661 12.081 -7.465 1.00 0.00 C ATOM 588 C GLU A 40 -8.151 12.486 -6.085 1.00 0.00 C ATOM 589 O GLU A 40 -6.992 12.867 -5.929 1.00 0.00 O ATOM 590 CB GLU A 40 -9.317 13.283 -8.154 1.00 0.00 C ATOM 591 CG GLU A 40 -8.705 13.618 -9.504 1.00 0.00 C ATOM 592 CD GLU A 40 -7.798 14.832 -9.450 1.00 0.00 C ATOM 593 OE1 GLU A 40 -6.773 14.776 -8.739 1.00 0.00 O ATOM 594 OE2 GLU A 40 -8.113 15.837 -10.121 1.00 0.00 O ATOM 0 H GLU A 40 -10.557 11.205 -7.656 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.812 11.748 -8.061 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.380 13.080 -8.286 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.237 14.153 -7.502 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.136 12.760 -9.863 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.502 13.797 -10.225 1.00 0.00 H new ATOM 601 N GLU A 41 -9.024 12.401 -5.088 1.00 0.00 N ATOM 602 CA GLU A 41 -8.658 12.759 -3.722 1.00 0.00 C ATOM 603 C GLU A 41 -7.552 11.852 -3.199 1.00 0.00 C ATOM 604 O GLU A 41 -6.523 12.323 -2.718 1.00 0.00 O ATOM 605 CB GLU A 41 -9.879 12.688 -2.802 1.00 0.00 C ATOM 606 CG GLU A 41 -10.431 14.051 -2.418 1.00 0.00 C ATOM 607 CD GLU A 41 -10.643 14.198 -0.925 1.00 0.00 C ATOM 608 OE1 GLU A 41 -11.028 13.200 -0.279 1.00 0.00 O ATOM 609 OE2 GLU A 41 -10.424 15.310 -0.398 1.00 0.00 O ATOM 0 H GLU A 41 -9.988 12.088 -5.199 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.286 13.783 -3.731 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -10.663 12.114 -3.296 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -9.610 12.146 -1.896 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -9.745 14.826 -2.761 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -11.378 14.213 -2.933 1.00 0.00 H new ATOM 616 N ILE A 42 -7.767 10.546 -3.291 1.00 0.00 N ATOM 617 CA ILE A 42 -6.778 9.588 -2.821 1.00 0.00 C ATOM 618 C ILE A 42 -5.479 9.718 -3.618 1.00 0.00 C ATOM 619 O ILE A 42 -4.392 9.506 -3.084 1.00 0.00 O ATOM 620 CB ILE A 42 -7.283 8.132 -2.920 1.00 0.00 C ATOM 621 CG1 ILE A 42 -8.734 8.019 -2.440 1.00 0.00 C ATOM 622 CG2 ILE A 42 -6.389 7.209 -2.108 1.00 0.00 C ATOM 623 CD1 ILE A 42 -8.916 8.312 -0.966 1.00 0.00 C ATOM 0 H ILE A 42 -8.611 10.129 -3.684 1.00 0.00 H new ATOM 0 HA ILE A 42 -6.596 9.818 -1.771 1.00 0.00 H new ATOM 0 HB ILE A 42 -7.247 7.831 -3.967 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -9.352 8.707 -3.016 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -9.098 7.013 -2.648 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -6.756 6.186 -2.186 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.370 7.259 -2.492 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.399 7.519 -1.063 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -9.969 8.212 -0.702 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -8.326 7.607 -0.379 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -8.584 9.328 -0.753 1.00 0.00 H new ATOM 635 N LYS A 43 -5.600 10.071 -4.896 1.00 0.00 N ATOM 636 CA LYS A 43 -4.434 10.229 -5.762 1.00 0.00 C ATOM 637 C LYS A 43 -3.611 11.456 -5.369 1.00 0.00 C ATOM 638 O LYS A 43 -2.421 11.343 -5.073 1.00 0.00 O ATOM 639 CB LYS A 43 -4.868 10.335 -7.230 1.00 0.00 C ATOM 640 CG LYS A 43 -3.739 10.716 -8.183 1.00 0.00 C ATOM 641 CD LYS A 43 -3.564 9.692 -9.294 1.00 0.00 C ATOM 642 CE LYS A 43 -2.911 10.309 -10.520 1.00 0.00 C ATOM 643 NZ LYS A 43 -2.354 9.273 -11.433 1.00 0.00 N ATOM 0 H LYS A 43 -6.493 10.253 -5.354 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.807 9.346 -5.638 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.288 9.380 -7.544 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.664 11.075 -7.311 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.947 11.693 -8.619 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.808 10.808 -7.624 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.955 8.863 -8.934 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.535 9.279 -9.566 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.644 10.911 -11.058 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.114 10.983 -10.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.918 9.734 -12.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.636 8.715 -10.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.119 8.645 -11.753 1.00 0.00 H new ATOM 657 N GLU A 44 -4.246 12.627 -5.374 1.00 0.00 N ATOM 658 CA GLU A 44 -3.556 13.868 -5.025 1.00 0.00 C ATOM 659 C GLU A 44 -2.866 13.751 -3.668 1.00 0.00 C ATOM 660 O GLU A 44 -1.758 14.256 -3.480 1.00 0.00 O ATOM 661 CB GLU A 44 -4.535 15.049 -5.028 1.00 0.00 C ATOM 662 CG GLU A 44 -5.484 15.077 -3.839 1.00 0.00 C ATOM 663 CD GLU A 44 -6.534 16.165 -3.958 1.00 0.00 C ATOM 664 OE1 GLU A 44 -6.152 17.354 -4.025 1.00 0.00 O ATOM 665 OE2 GLU A 44 -7.737 15.833 -3.985 1.00 0.00 O ATOM 0 H GLU A 44 -5.231 12.743 -5.614 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.790 14.049 -5.779 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.965 15.978 -5.046 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.122 15.017 -5.946 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.977 14.109 -3.749 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.911 15.229 -2.924 1.00 0.00 H new ATOM 672 N LEU A 45 -3.521 13.079 -2.729 1.00 0.00 N ATOM 673 CA LEU A 45 -2.969 12.895 -1.392 1.00 0.00 C ATOM 674 C LEU A 45 -1.739 11.993 -1.429 1.00 0.00 C ATOM 675 O LEU A 45 -0.675 12.357 -0.927 1.00 0.00 O ATOM 676 CB LEU A 45 -4.027 12.294 -0.464 1.00 0.00 C ATOM 677 CG LEU A 45 -4.182 12.990 0.890 1.00 0.00 C ATOM 678 CD1 LEU A 45 -4.369 14.489 0.707 1.00 0.00 C ATOM 679 CD2 LEU A 45 -5.353 12.394 1.658 1.00 0.00 C ATOM 0 H LEU A 45 -4.437 12.652 -2.869 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.669 13.871 -1.011 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.989 12.314 -0.976 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.780 11.247 -0.289 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.271 12.830 1.466 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.477 14.964 1.682 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.501 14.904 0.196 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.263 14.674 0.112 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.452 12.898 2.619 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.270 12.525 1.083 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.177 11.331 1.822 1.00 0.00 H new ATOM 691 N CYS A 46 -1.893 10.812 -2.017 1.00 0.00 N ATOM 692 CA CYS A 46 -0.797 9.853 -2.113 1.00 0.00 C ATOM 693 C CYS A 46 0.478 10.514 -2.630 1.00 0.00 C ATOM 694 O CYS A 46 1.580 10.192 -2.184 1.00 0.00 O ATOM 695 CB CYS A 46 -1.194 8.694 -3.023 1.00 0.00 C ATOM 696 SG CYS A 46 -2.412 7.579 -2.290 1.00 0.00 S ATOM 0 H CYS A 46 -2.767 10.495 -2.435 1.00 0.00 H new ATOM 0 HA CYS A 46 -0.595 9.472 -1.112 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -1.596 9.095 -3.953 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -0.301 8.124 -3.281 1.00 0.00 H new ATOM 0 HG CYS A 46 -3.579 8.152 -2.287 1.00 0.00 H new ATOM 702 N GLN A 47 0.323 11.444 -3.565 1.00 0.00 N ATOM 703 CA GLN A 47 1.464 12.154 -4.130 1.00 0.00 C ATOM 704 C GLN A 47 2.031 13.146 -3.118 1.00 0.00 C ATOM 705 O GLN A 47 3.235 13.394 -3.081 1.00 0.00 O ATOM 706 CB GLN A 47 1.053 12.886 -5.410 1.00 0.00 C ATOM 707 CG GLN A 47 1.464 12.165 -6.684 1.00 0.00 C ATOM 708 CD GLN A 47 1.773 13.122 -7.818 1.00 0.00 C ATOM 709 OE1 GLN A 47 2.827 13.036 -8.449 1.00 0.00 O ATOM 710 NE2 GLN A 47 0.853 14.043 -8.084 1.00 0.00 N ATOM 0 H GLN A 47 -0.580 11.724 -3.947 1.00 0.00 H new ATOM 0 HA GLN A 47 2.237 11.425 -4.374 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -0.029 13.019 -5.411 1.00 0.00 H new ATOM 0 HB3 GLN A 47 1.496 13.882 -5.407 1.00 0.00 H new ATOM 0 HG2 GLN A 47 2.341 11.550 -6.483 1.00 0.00 H new ATOM 0 HG3 GLN A 47 0.665 11.490 -6.990 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.007 14.078 -7.536 1.00 0.00 H new ATOM 0 HE22 GLN A 47 1.006 14.715 -8.836 1.00 0.00 H new ATOM 719 N SER A 48 1.147 13.706 -2.302 1.00 0.00 N ATOM 720 CA SER A 48 1.543 14.675 -1.284 1.00 0.00 C ATOM 721 C SER A 48 2.481 14.038 -0.260 1.00 0.00 C ATOM 722 O SER A 48 3.499 14.622 0.111 1.00 0.00 O ATOM 723 CB SER A 48 0.307 15.240 -0.581 1.00 0.00 C ATOM 724 OG SER A 48 0.347 16.655 -0.536 1.00 0.00 O ATOM 0 H SER A 48 0.147 13.506 -2.324 1.00 0.00 H new ATOM 0 HA SER A 48 2.075 15.488 -1.778 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.593 14.915 -1.104 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.248 14.843 0.432 1.00 0.00 H new ATOM 0 HG SER A 48 -0.455 16.991 -0.083 1.00 0.00 H new ATOM 730 N HIS A 49 2.130 12.839 0.191 1.00 0.00 N ATOM 731 CA HIS A 49 2.937 12.122 1.173 1.00 0.00 C ATOM 732 C HIS A 49 4.011 11.267 0.495 1.00 0.00 C ATOM 733 O HIS A 49 4.870 10.694 1.165 1.00 0.00 O ATOM 734 CB HIS A 49 2.044 11.237 2.042 1.00 0.00 C ATOM 735 CG HIS A 49 1.911 11.714 3.454 1.00 0.00 C ATOM 736 ND1 HIS A 49 1.387 12.944 3.790 1.00 0.00 N ATOM 737 CD2 HIS A 49 2.236 11.115 4.623 1.00 0.00 C ATOM 738 CE1 HIS A 49 1.396 13.081 5.105 1.00 0.00 C ATOM 739 NE2 HIS A 49 1.907 11.984 5.633 1.00 0.00 N ATOM 0 H HIS A 49 1.291 12.342 -0.108 1.00 0.00 H new ATOM 0 HA HIS A 49 3.436 12.862 1.799 1.00 0.00 H new ATOM 0 HB2 HIS A 49 1.053 11.184 1.592 1.00 0.00 H new ATOM 0 HB3 HIS A 49 2.447 10.224 2.047 1.00 0.00 H new ATOM 0 HD2 HIS A 49 2.673 10.134 4.740 1.00 0.00 H new ATOM 0 HE1 HIS A 49 1.045 13.943 5.653 1.00 0.00 H new ATOM 0 HE2 HIS A 49 2.036 11.811 6.630 1.00 0.00 H new ATOM 748 N ASN A 50 3.956 11.179 -0.832 1.00 0.00 N ATOM 749 CA ASN A 50 4.925 10.389 -1.585 1.00 0.00 C ATOM 750 C ASN A 50 4.825 8.908 -1.222 1.00 0.00 C ATOM 751 O ASN A 50 5.832 8.260 -0.937 1.00 0.00 O ATOM 752 CB ASN A 50 6.347 10.896 -1.328 1.00 0.00 C ATOM 753 CG ASN A 50 6.451 12.406 -1.424 1.00 0.00 C ATOM 754 OD1 ASN A 50 5.534 13.073 -1.901 1.00 0.00 O ATOM 755 ND2 ASN A 50 7.574 12.952 -0.970 1.00 0.00 N ATOM 0 H ASN A 50 3.253 11.644 -1.406 1.00 0.00 H new ATOM 0 HA ASN A 50 4.696 10.500 -2.645 1.00 0.00 H new ATOM 0 HB2 ASN A 50 6.670 10.575 -0.338 1.00 0.00 H new ATOM 0 HB3 ASN A 50 7.027 10.442 -2.048 1.00 0.00 H new ATOM 0 HD21 ASN A 50 7.702 13.963 -1.009 1.00 0.00 H new ATOM 0 HD22 ASN A 50 8.309 12.360 -0.582 1.00 0.00 H new ATOM 762 N ILE A 51 3.605 8.376 -1.240 1.00 0.00 N ATOM 763 CA ILE A 51 3.380 6.970 -0.916 1.00 0.00 C ATOM 764 C ILE A 51 2.843 6.212 -2.126 1.00 0.00 C ATOM 765 O ILE A 51 1.634 6.165 -2.349 1.00 0.00 O ATOM 766 CB ILE A 51 2.379 6.791 0.245 1.00 0.00 C ATOM 767 CG1 ILE A 51 2.582 7.866 1.315 1.00 0.00 C ATOM 768 CG2 ILE A 51 2.519 5.400 0.850 1.00 0.00 C ATOM 769 CD1 ILE A 51 1.432 7.957 2.298 1.00 0.00 C ATOM 0 H ILE A 51 2.759 8.896 -1.475 1.00 0.00 H new ATOM 0 HA ILE A 51 4.348 6.570 -0.615 1.00 0.00 H new ATOM 0 HB ILE A 51 1.370 6.900 -0.153 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.502 7.657 1.861 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.713 8.833 0.829 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.808 5.286 1.668 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.317 4.649 0.086 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.532 5.269 1.229 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.640 8.738 3.029 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.513 8.196 1.762 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.315 7.002 2.810 1.00 0.00 H new ATOM 781 N PRO A 52 3.732 5.603 -2.926 1.00 0.00 N ATOM 782 CA PRO A 52 3.325 4.845 -4.114 1.00 0.00 C ATOM 783 C PRO A 52 2.254 3.806 -3.794 1.00 0.00 C ATOM 784 O PRO A 52 2.427 2.986 -2.900 1.00 0.00 O ATOM 785 CB PRO A 52 4.621 4.162 -4.560 1.00 0.00 C ATOM 786 CG PRO A 52 5.712 5.024 -4.026 1.00 0.00 C ATOM 787 CD PRO A 52 5.195 5.600 -2.737 1.00 0.00 C ATOM 0 HA PRO A 52 2.883 5.485 -4.878 1.00 0.00 H new ATOM 0 HB2 PRO A 52 4.689 3.148 -4.165 1.00 0.00 H new ATOM 0 HB3 PRO A 52 4.674 4.085 -5.646 1.00 0.00 H new ATOM 0 HG2 PRO A 52 6.620 4.444 -3.858 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.965 5.815 -4.732 1.00 0.00 H new ATOM 0 HD2 PRO A 52 5.488 4.994 -1.880 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.580 6.605 -2.563 1.00 0.00 H new ATOM 795 N VAL A 53 1.148 3.843 -4.528 1.00 0.00 N ATOM 796 CA VAL A 53 0.054 2.896 -4.320 1.00 0.00 C ATOM 797 C VAL A 53 -0.795 2.773 -5.580 1.00 0.00 C ATOM 798 O VAL A 53 -0.674 3.582 -6.500 1.00 0.00 O ATOM 799 CB VAL A 53 -0.864 3.304 -3.143 1.00 0.00 C ATOM 800 CG1 VAL A 53 -0.101 3.344 -1.825 1.00 0.00 C ATOM 801 CG2 VAL A 53 -1.525 4.643 -3.416 1.00 0.00 C ATOM 0 H VAL A 53 0.983 4.519 -5.274 1.00 0.00 H new ATOM 0 HA VAL A 53 0.517 1.939 -4.080 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.640 2.544 -3.054 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -0.778 3.634 -1.021 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.312 2.358 -1.613 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.710 4.069 -1.896 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -2.166 4.910 -2.576 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.759 5.407 -3.546 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.126 4.574 -4.323 1.00 0.00 H new ATOM 811 N GLU A 54 -1.664 1.766 -5.616 1.00 0.00 N ATOM 812 CA GLU A 54 -2.533 1.560 -6.768 1.00 0.00 C ATOM 813 C GLU A 54 -3.998 1.554 -6.349 1.00 0.00 C ATOM 814 O GLU A 54 -4.440 0.663 -5.623 1.00 0.00 O ATOM 815 CB GLU A 54 -2.197 0.242 -7.469 1.00 0.00 C ATOM 816 CG GLU A 54 -0.707 -0.018 -7.616 1.00 0.00 C ATOM 817 CD GLU A 54 -0.337 -0.519 -8.999 1.00 0.00 C ATOM 818 OE1 GLU A 54 -0.529 0.237 -9.975 1.00 0.00 O ATOM 819 OE2 GLU A 54 0.141 -1.668 -9.107 1.00 0.00 O ATOM 0 H GLU A 54 -1.784 1.085 -4.866 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.367 2.385 -7.460 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.645 -0.579 -6.910 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.655 0.242 -8.458 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.159 0.901 -7.408 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.395 -0.751 -6.872 1.00 0.00 H new ATOM 826 N LEU A 55 -4.749 2.550 -6.805 1.00 0.00 N ATOM 827 CA LEU A 55 -6.161 2.655 -6.471 1.00 0.00 C ATOM 828 C LEU A 55 -7.023 2.000 -7.550 1.00 0.00 C ATOM 829 O LEU A 55 -7.075 2.465 -8.685 1.00 0.00 O ATOM 830 CB LEU A 55 -6.549 4.129 -6.314 1.00 0.00 C ATOM 831 CG LEU A 55 -7.858 4.389 -5.567 1.00 0.00 C ATOM 832 CD1 LEU A 55 -7.740 3.959 -4.112 1.00 0.00 C ATOM 833 CD2 LEU A 55 -8.232 5.859 -5.659 1.00 0.00 C ATOM 0 H LEU A 55 -4.401 3.296 -7.407 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.334 2.134 -5.530 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.744 4.645 -5.791 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.622 4.575 -7.306 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.646 3.799 -6.034 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.682 4.152 -3.598 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.513 2.894 -4.065 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.941 4.522 -3.630 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.166 6.031 -5.123 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.442 6.464 -5.215 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.357 6.138 -6.705 1.00 0.00 H new ATOM 845 N ILE A 56 -7.698 0.919 -7.182 1.00 0.00 N ATOM 846 CA ILE A 56 -8.563 0.199 -8.111 1.00 0.00 C ATOM 847 C ILE A 56 -10.028 0.498 -7.800 1.00 0.00 C ATOM 848 O ILE A 56 -10.382 0.745 -6.648 1.00 0.00 O ATOM 849 CB ILE A 56 -8.298 -1.325 -8.053 1.00 0.00 C ATOM 850 CG1 ILE A 56 -9.261 -2.095 -8.955 1.00 0.00 C ATOM 851 CG2 ILE A 56 -8.396 -1.832 -6.632 1.00 0.00 C ATOM 852 CD1 ILE A 56 -8.967 -1.925 -10.425 1.00 0.00 C ATOM 0 H ILE A 56 -7.664 0.519 -6.244 1.00 0.00 H new ATOM 0 HA ILE A 56 -8.338 0.539 -9.122 1.00 0.00 H new ATOM 0 HB ILE A 56 -7.285 -1.495 -8.418 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -9.216 -3.154 -8.703 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -10.280 -1.763 -8.755 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -8.206 -2.905 -6.615 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -7.658 -1.323 -6.012 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -9.395 -1.634 -6.243 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -9.688 -2.498 -11.009 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -9.041 -0.871 -10.691 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -7.960 -2.284 -10.639 1.00 0.00 H new ATOM 864 N GLN A 57 -10.878 0.469 -8.823 1.00 0.00 N ATOM 865 CA GLN A 57 -12.302 0.725 -8.641 1.00 0.00 C ATOM 866 C GLN A 57 -13.097 -0.506 -9.062 1.00 0.00 C ATOM 867 O GLN A 57 -12.793 -1.130 -10.077 1.00 0.00 O ATOM 868 CB GLN A 57 -12.735 1.947 -9.455 1.00 0.00 C ATOM 869 CG GLN A 57 -12.467 3.267 -8.749 1.00 0.00 C ATOM 870 CD GLN A 57 -11.335 4.057 -9.380 1.00 0.00 C ATOM 871 OE1 GLN A 57 -10.302 3.498 -9.749 1.00 0.00 O ATOM 872 NE2 GLN A 57 -11.524 5.366 -9.506 1.00 0.00 N ATOM 0 H GLN A 57 -10.605 0.271 -9.786 1.00 0.00 H new ATOM 0 HA GLN A 57 -12.496 0.933 -7.589 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -12.212 1.942 -10.411 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -13.800 1.870 -9.674 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -13.375 3.870 -8.761 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -12.228 3.072 -7.704 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -12.396 5.788 -9.187 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -10.797 5.948 -9.922 1.00 0.00 H new ATOM 881 N CYS A 58 -14.086 -0.879 -8.261 1.00 0.00 N ATOM 882 CA CYS A 58 -14.886 -2.064 -8.538 1.00 0.00 C ATOM 883 C CYS A 58 -16.340 -1.854 -8.106 1.00 0.00 C ATOM 884 O CYS A 58 -16.647 -0.890 -7.413 1.00 0.00 O ATOM 885 CB CYS A 58 -14.271 -3.256 -7.801 1.00 0.00 C ATOM 886 SG CYS A 58 -12.851 -3.993 -8.645 1.00 0.00 S ATOM 0 H CYS A 58 -14.353 -0.378 -7.414 1.00 0.00 H new ATOM 0 HA CYS A 58 -14.888 -2.257 -9.611 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -13.962 -2.934 -6.806 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -15.036 -4.020 -7.666 1.00 0.00 H new ATOM 0 HG CYS A 58 -12.352 -3.135 -9.484 1.00 0.00 H new ATOM 892 N ARG A 59 -17.235 -2.752 -8.516 1.00 0.00 N ATOM 893 CA ARG A 59 -18.645 -2.638 -8.151 1.00 0.00 C ATOM 894 C ARG A 59 -18.879 -3.200 -6.746 1.00 0.00 C ATOM 895 O ARG A 59 -17.936 -3.336 -5.968 1.00 0.00 O ATOM 896 CB ARG A 59 -19.514 -3.372 -9.179 1.00 0.00 C ATOM 897 CG ARG A 59 -19.847 -2.530 -10.401 1.00 0.00 C ATOM 898 CD ARG A 59 -19.019 -2.945 -11.608 1.00 0.00 C ATOM 899 NE ARG A 59 -19.252 -2.074 -12.760 1.00 0.00 N ATOM 900 CZ ARG A 59 -19.939 -2.431 -13.846 1.00 0.00 C ATOM 901 NH1 ARG A 59 -20.490 -3.634 -13.936 1.00 0.00 N ATOM 902 NH2 ARG A 59 -20.084 -1.574 -14.847 1.00 0.00 N ATOM 0 H ARG A 59 -17.011 -3.560 -9.096 1.00 0.00 H new ATOM 0 HA ARG A 59 -18.925 -1.585 -8.148 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -18.998 -4.277 -9.500 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -20.441 -3.687 -8.701 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -20.907 -2.629 -10.634 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -19.667 -1.478 -10.179 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -17.961 -2.924 -11.346 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -19.261 -3.973 -11.877 1.00 0.00 H new ATOM 0 HE ARG A 59 -18.863 -1.131 -12.731 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -20.391 -4.299 -13.169 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -21.013 -3.894 -14.772 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -19.671 -0.644 -14.786 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -20.609 -1.845 -15.678 1.00 0.00 H new ATOM 916 N VAL A 60 -20.132 -3.523 -6.423 1.00 0.00 N ATOM 917 CA VAL A 60 -20.470 -4.064 -5.108 1.00 0.00 C ATOM 918 C VAL A 60 -19.918 -5.476 -4.929 1.00 0.00 C ATOM 919 O VAL A 60 -19.735 -5.940 -3.803 1.00 0.00 O ATOM 920 CB VAL A 60 -21.995 -4.103 -4.896 1.00 0.00 C ATOM 921 CG1 VAL A 60 -22.548 -2.698 -4.714 1.00 0.00 C ATOM 922 CG2 VAL A 60 -22.675 -4.804 -6.064 1.00 0.00 C ATOM 0 H VAL A 60 -20.927 -3.419 -7.053 1.00 0.00 H new ATOM 0 HA VAL A 60 -20.016 -3.401 -4.371 1.00 0.00 H new ATOM 0 HB VAL A 60 -22.203 -4.668 -3.988 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -23.627 -2.748 -4.566 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -22.083 -2.234 -3.844 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -22.331 -2.104 -5.602 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -23.752 -4.824 -5.899 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -22.459 -4.266 -6.987 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -22.302 -5.825 -6.143 1.00 0.00 H new ATOM 932 N ASN A 61 -19.651 -6.155 -6.042 1.00 0.00 N ATOM 933 CA ASN A 61 -19.118 -7.512 -5.996 1.00 0.00 C ATOM 934 C ASN A 61 -18.023 -7.696 -7.042 1.00 0.00 C ATOM 935 O ASN A 61 -18.202 -8.408 -8.029 1.00 0.00 O ATOM 936 CB ASN A 61 -20.233 -8.535 -6.217 1.00 0.00 C ATOM 937 CG ASN A 61 -21.091 -8.733 -4.982 1.00 0.00 C ATOM 938 OD1 ASN A 61 -22.104 -8.058 -4.802 1.00 0.00 O ATOM 939 ND2 ASN A 61 -20.687 -9.663 -4.122 1.00 0.00 N ATOM 0 H ASN A 61 -19.795 -5.789 -6.983 1.00 0.00 H new ATOM 0 HA ASN A 61 -18.686 -7.673 -5.008 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -20.863 -8.209 -7.045 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -19.794 -9.489 -6.508 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -21.224 -9.840 -3.273 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -19.840 -10.199 -4.311 1.00 0.00 H new ATOM 946 N GLU A 62 -16.893 -7.044 -6.813 1.00 0.00 N ATOM 947 CA GLU A 62 -15.764 -7.125 -7.731 1.00 0.00 C ATOM 948 C GLU A 62 -14.443 -7.088 -6.962 1.00 0.00 C ATOM 949 O GLU A 62 -13.498 -7.807 -7.293 1.00 0.00 O ATOM 950 CB GLU A 62 -15.830 -5.977 -8.741 1.00 0.00 C ATOM 951 CG GLU A 62 -16.793 -6.219 -9.891 1.00 0.00 C ATOM 952 CD GLU A 62 -16.240 -7.185 -10.918 1.00 0.00 C ATOM 953 OE1 GLU A 62 -16.048 -8.369 -10.574 1.00 0.00 O ATOM 954 OE2 GLU A 62 -15.994 -6.756 -12.065 1.00 0.00 O ATOM 0 H GLU A 62 -16.732 -6.452 -5.998 1.00 0.00 H new ATOM 0 HA GLU A 62 -15.817 -8.071 -8.270 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -16.124 -5.065 -8.221 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -14.833 -5.805 -9.146 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -17.732 -6.610 -9.498 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -17.021 -5.270 -10.376 1.00 0.00 H new ATOM 961 N ILE A 63 -14.388 -6.251 -5.930 1.00 0.00 N ATOM 962 CA ILE A 63 -13.192 -6.119 -5.102 1.00 0.00 C ATOM 963 C ILE A 63 -12.757 -7.465 -4.536 1.00 0.00 C ATOM 964 O ILE A 63 -11.565 -7.745 -4.409 1.00 0.00 O ATOM 965 CB ILE A 63 -13.436 -5.152 -3.927 1.00 0.00 C ATOM 966 CG1 ILE A 63 -14.777 -5.447 -3.251 1.00 0.00 C ATOM 967 CG2 ILE A 63 -13.394 -3.716 -4.411 1.00 0.00 C ATOM 968 CD1 ILE A 63 -14.641 -5.885 -1.811 1.00 0.00 C ATOM 0 H ILE A 63 -15.162 -5.651 -5.646 1.00 0.00 H new ATOM 0 HA ILE A 63 -12.406 -5.725 -5.746 1.00 0.00 H new ATOM 0 HB ILE A 63 -12.644 -5.298 -3.193 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -15.401 -4.554 -3.294 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -15.295 -6.225 -3.812 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -13.568 -3.044 -3.571 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -12.417 -3.507 -4.847 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -14.167 -3.563 -5.164 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -15.630 -6.077 -1.394 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -14.044 -6.795 -1.762 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -14.152 -5.099 -1.236 1.00 0.00 H new ATOM 980 N GLU A 64 -13.738 -8.288 -4.190 1.00 0.00 N ATOM 981 CA GLU A 64 -13.476 -9.608 -3.626 1.00 0.00 C ATOM 982 C GLU A 64 -12.775 -10.500 -4.643 1.00 0.00 C ATOM 983 O GLU A 64 -11.870 -11.259 -4.300 1.00 0.00 O ATOM 984 CB GLU A 64 -14.785 -10.264 -3.171 1.00 0.00 C ATOM 985 CG GLU A 64 -15.620 -9.393 -2.244 1.00 0.00 C ATOM 986 CD GLU A 64 -16.500 -8.412 -2.997 1.00 0.00 C ATOM 987 OE1 GLU A 64 -16.671 -8.589 -4.221 1.00 0.00 O ATOM 988 OE2 GLU A 64 -17.013 -7.465 -2.363 1.00 0.00 O ATOM 0 H GLU A 64 -14.728 -8.064 -4.290 1.00 0.00 H new ATOM 0 HA GLU A 64 -12.822 -9.484 -2.763 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -15.379 -10.516 -4.050 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -14.554 -11.200 -2.663 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -16.246 -10.030 -1.619 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -14.958 -8.842 -1.576 1.00 0.00 H new ATOM 995 N THR A 65 -13.205 -10.399 -5.894 1.00 0.00 N ATOM 996 CA THR A 65 -12.630 -11.190 -6.975 1.00 0.00 C ATOM 997 C THR A 65 -11.250 -10.663 -7.358 1.00 0.00 C ATOM 998 O THR A 65 -10.324 -11.435 -7.599 1.00 0.00 O ATOM 999 CB THR A 65 -13.556 -11.166 -8.192 1.00 0.00 C ATOM 1000 OG1 THR A 65 -13.444 -9.926 -8.876 1.00 0.00 O ATOM 1001 CG2 THR A 65 -15.015 -11.379 -7.835 1.00 0.00 C ATOM 0 H THR A 65 -13.955 -9.773 -6.187 1.00 0.00 H new ATOM 0 HA THR A 65 -12.521 -12.218 -6.628 1.00 0.00 H new ATOM 0 HB THR A 65 -13.236 -11.993 -8.826 1.00 0.00 H new ATOM 0 HG1 THR A 65 -13.663 -9.193 -8.263 1.00 0.00 H new ATOM 0 HG21 THR A 65 -15.619 -11.351 -8.742 1.00 0.00 H new ATOM 0 HG22 THR A 65 -15.133 -12.348 -7.350 1.00 0.00 H new ATOM 0 HG23 THR A 65 -15.342 -10.591 -7.156 1.00 0.00 H new ATOM 1009 N TYR A 66 -11.122 -9.341 -7.409 1.00 0.00 N ATOM 1010 CA TYR A 66 -9.857 -8.704 -7.761 1.00 0.00 C ATOM 1011 C TYR A 66 -8.985 -8.479 -6.527 1.00 0.00 C ATOM 1012 O TYR A 66 -7.989 -7.759 -6.584 1.00 0.00 O ATOM 1013 CB TYR A 66 -10.115 -7.369 -8.461 1.00 0.00 C ATOM 1014 CG TYR A 66 -10.672 -7.518 -9.859 1.00 0.00 C ATOM 1015 CD1 TYR A 66 -9.841 -7.825 -10.929 1.00 0.00 C ATOM 1016 CD2 TYR A 66 -12.028 -7.352 -10.106 1.00 0.00 C ATOM 1017 CE1 TYR A 66 -10.347 -7.961 -12.208 1.00 0.00 C ATOM 1018 CE2 TYR A 66 -12.542 -7.488 -11.381 1.00 0.00 C ATOM 1019 CZ TYR A 66 -11.697 -7.792 -12.428 1.00 0.00 C ATOM 1020 OH TYR A 66 -12.205 -7.928 -13.699 1.00 0.00 O ATOM 0 H TYR A 66 -11.880 -8.688 -7.211 1.00 0.00 H new ATOM 0 HA TYR A 66 -9.325 -9.372 -8.438 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -10.811 -6.782 -7.862 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -9.183 -6.806 -8.508 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -8.783 -7.960 -10.759 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -12.692 -7.113 -9.288 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -9.688 -8.198 -13.030 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -13.599 -7.357 -11.557 1.00 0.00 H new ATOM 0 HH TYR A 66 -13.173 -7.779 -13.682 1.00 0.00 H new ATOM 1030 N MET A 67 -9.359 -9.103 -5.412 1.00 0.00 N ATOM 1031 CA MET A 67 -8.607 -8.973 -4.170 1.00 0.00 C ATOM 1032 C MET A 67 -7.319 -9.803 -4.206 1.00 0.00 C ATOM 1033 O MET A 67 -7.021 -10.543 -3.268 1.00 0.00 O ATOM 1034 CB MET A 67 -9.480 -9.402 -2.987 1.00 0.00 C ATOM 1035 CG MET A 67 -9.670 -8.312 -1.948 1.00 0.00 C ATOM 1036 SD MET A 67 -8.275 -8.191 -0.812 1.00 0.00 S ATOM 1037 CE MET A 67 -9.004 -8.840 0.690 1.00 0.00 C ATOM 0 H MET A 67 -10.180 -9.704 -5.345 1.00 0.00 H new ATOM 0 HA MET A 67 -8.325 -7.927 -4.052 1.00 0.00 H new ATOM 0 HB2 MET A 67 -10.456 -9.712 -3.360 1.00 0.00 H new ATOM 0 HB3 MET A 67 -9.030 -10.273 -2.510 1.00 0.00 H new ATOM 0 HG2 MET A 67 -9.809 -7.355 -2.451 1.00 0.00 H new ATOM 0 HG3 MET A 67 -10.580 -8.509 -1.381 1.00 0.00 H new ATOM 0 HE1 MET A 67 -9.095 -8.041 1.425 1.00 0.00 H new ATOM 0 HE2 MET A 67 -9.992 -9.244 0.470 1.00 0.00 H new ATOM 0 HE3 MET A 67 -8.369 -9.631 1.090 1.00 0.00 H new ATOM 1047 N ASP A 68 -6.560 -9.681 -5.294 1.00 0.00 N ATOM 1048 CA ASP A 68 -5.314 -10.425 -5.446 1.00 0.00 C ATOM 1049 C ASP A 68 -4.232 -9.891 -4.516 1.00 0.00 C ATOM 1050 O ASP A 68 -3.440 -10.655 -3.966 1.00 0.00 O ATOM 1051 CB ASP A 68 -4.832 -10.357 -6.897 1.00 0.00 C ATOM 1052 CG ASP A 68 -3.822 -11.440 -7.224 1.00 0.00 C ATOM 1053 OD1 ASP A 68 -2.625 -11.244 -6.926 1.00 0.00 O ATOM 1054 OD2 ASP A 68 -4.229 -12.485 -7.775 1.00 0.00 O ATOM 0 H ASP A 68 -6.787 -9.074 -6.082 1.00 0.00 H new ATOM 0 HA ASP A 68 -5.511 -11.463 -5.178 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.688 -10.449 -7.566 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -4.386 -9.380 -7.083 1.00 0.00 H new ATOM 1059 N GLY A 69 -4.202 -8.575 -4.346 1.00 0.00 N ATOM 1060 CA GLY A 69 -3.211 -7.966 -3.481 1.00 0.00 C ATOM 1061 C GLY A 69 -3.620 -6.582 -3.026 1.00 0.00 C ATOM 1062 O GLY A 69 -3.011 -5.591 -3.416 1.00 0.00 O ATOM 0 H GLY A 69 -4.845 -7.920 -4.791 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.053 -8.601 -2.609 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.259 -7.906 -4.008 1.00 0.00 H new ATOM 1066 N VAL A 70 -4.657 -6.520 -2.202 1.00 0.00 N ATOM 1067 CA VAL A 70 -5.159 -5.254 -1.690 1.00 0.00 C ATOM 1068 C VAL A 70 -4.765 -5.063 -0.227 1.00 0.00 C ATOM 1069 O VAL A 70 -4.997 -5.940 0.606 1.00 0.00 O ATOM 1070 CB VAL A 70 -6.692 -5.185 -1.809 1.00 0.00 C ATOM 1071 CG1 VAL A 70 -7.198 -3.793 -1.486 1.00 0.00 C ATOM 1072 CG2 VAL A 70 -7.149 -5.611 -3.195 1.00 0.00 C ATOM 0 H VAL A 70 -5.169 -7.338 -1.873 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.713 -4.460 -2.290 1.00 0.00 H new ATOM 0 HB VAL A 70 -7.115 -5.879 -1.082 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.284 -3.770 -1.577 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.914 -3.530 -0.467 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.760 -3.076 -2.181 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -8.236 -5.554 -3.253 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.710 -4.950 -3.942 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.829 -6.636 -3.385 1.00 0.00 H new ATOM 1082 N HIS A 71 -4.174 -3.914 0.081 1.00 0.00 N ATOM 1083 CA HIS A 71 -3.757 -3.610 1.446 1.00 0.00 C ATOM 1084 C HIS A 71 -4.828 -2.802 2.181 1.00 0.00 C ATOM 1085 O HIS A 71 -4.793 -2.683 3.405 1.00 0.00 O ATOM 1086 CB HIS A 71 -2.436 -2.837 1.439 1.00 0.00 C ATOM 1087 CG HIS A 71 -1.253 -3.669 1.831 1.00 0.00 C ATOM 1088 ND1 HIS A 71 -0.110 -3.763 1.067 1.00 0.00 N ATOM 1089 CD2 HIS A 71 -1.038 -4.447 2.919 1.00 0.00 C ATOM 1090 CE1 HIS A 71 0.756 -4.561 1.663 1.00 0.00 C ATOM 1091 NE2 HIS A 71 0.218 -4.990 2.790 1.00 0.00 N ATOM 0 H HIS A 71 -3.973 -3.178 -0.595 1.00 0.00 H new ATOM 0 HA HIS A 71 -3.616 -4.554 1.972 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -2.269 -2.429 0.442 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -2.516 -1.990 2.121 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -1.726 -4.610 3.736 1.00 0.00 H new ATOM 0 HE1 HIS A 71 1.737 -4.819 1.292 1.00 0.00 H new ATOM 0 HE2 HIS A 71 0.662 -5.622 3.456 1.00 0.00 H new ATOM 1100 N LEU A 72 -5.780 -2.249 1.430 1.00 0.00 N ATOM 1101 CA LEU A 72 -6.857 -1.456 2.018 1.00 0.00 C ATOM 1102 C LEU A 72 -8.086 -1.449 1.107 1.00 0.00 C ATOM 1103 O LEU A 72 -7.965 -1.586 -0.106 1.00 0.00 O ATOM 1104 CB LEU A 72 -6.381 -0.021 2.257 1.00 0.00 C ATOM 1105 CG LEU A 72 -5.696 0.226 3.604 1.00 0.00 C ATOM 1106 CD1 LEU A 72 -5.130 1.638 3.661 1.00 0.00 C ATOM 1107 CD2 LEU A 72 -6.669 -0.012 4.753 1.00 0.00 C ATOM 0 H LEU A 72 -5.827 -2.336 0.415 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.134 -1.908 2.970 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.689 0.252 1.461 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.239 0.647 2.176 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.871 -0.479 3.706 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.646 1.798 4.625 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.400 1.770 2.862 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.938 2.359 3.537 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.163 0.169 5.701 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -7.517 0.667 4.659 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.024 -1.042 4.722 1.00 0.00 H new ATOM 1119 N ILE A 73 -9.272 -1.300 1.693 1.00 0.00 N ATOM 1120 CA ILE A 73 -10.507 -1.286 0.912 1.00 0.00 C ATOM 1121 C ILE A 73 -11.480 -0.234 1.447 1.00 0.00 C ATOM 1122 O ILE A 73 -11.599 -0.036 2.652 1.00 0.00 O ATOM 1123 CB ILE A 73 -11.169 -2.697 0.884 1.00 0.00 C ATOM 1124 CG1 ILE A 73 -12.708 -2.638 0.790 1.00 0.00 C ATOM 1125 CG2 ILE A 73 -10.743 -3.511 2.090 1.00 0.00 C ATOM 1126 CD1 ILE A 73 -13.237 -2.127 -0.535 1.00 0.00 C ATOM 0 H ILE A 73 -9.404 -1.188 2.698 1.00 0.00 H new ATOM 0 HA ILE A 73 -10.252 -1.017 -0.113 1.00 0.00 H new ATOM 0 HB ILE A 73 -10.817 -3.187 -0.024 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -13.109 -3.636 0.966 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -13.084 -1.998 1.588 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -11.216 -4.492 2.052 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -9.659 -3.630 2.085 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -11.047 -2.997 3.002 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -14.327 -2.119 -0.513 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -12.870 -1.115 -0.707 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -12.895 -2.779 -1.339 1.00 0.00 H new ATOM 1138 N CYS A 74 -12.173 0.440 0.540 1.00 0.00 N ATOM 1139 CA CYS A 74 -13.130 1.464 0.928 1.00 0.00 C ATOM 1140 C CYS A 74 -14.485 1.203 0.282 1.00 0.00 C ATOM 1141 O CYS A 74 -14.659 1.399 -0.920 1.00 0.00 O ATOM 1142 CB CYS A 74 -12.619 2.849 0.537 1.00 0.00 C ATOM 1143 SG CYS A 74 -11.089 3.329 1.371 1.00 0.00 S ATOM 0 H CYS A 74 -12.090 0.296 -0.466 1.00 0.00 H new ATOM 0 HA CYS A 74 -13.248 1.428 2.011 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -12.457 2.875 -0.541 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -13.390 3.586 0.761 1.00 0.00 H new ATOM 0 HG CYS A 74 -10.733 4.515 0.975 1.00 0.00 H new ATOM 1149 N THR A 75 -15.446 0.761 1.086 1.00 0.00 N ATOM 1150 CA THR A 75 -16.785 0.479 0.582 1.00 0.00 C ATOM 1151 C THR A 75 -17.819 1.369 1.260 1.00 0.00 C ATOM 1152 O THR A 75 -17.700 1.695 2.441 1.00 0.00 O ATOM 1153 CB THR A 75 -17.136 -0.998 0.790 1.00 0.00 C ATOM 1154 OG1 THR A 75 -18.435 -1.298 0.295 1.00 0.00 O ATOM 1155 CG2 THR A 75 -17.095 -1.423 2.239 1.00 0.00 C ATOM 0 H THR A 75 -15.324 0.591 2.084 1.00 0.00 H new ATOM 0 HA THR A 75 -16.797 0.694 -0.487 1.00 0.00 H new ATOM 0 HB THR A 75 -16.373 -1.546 0.238 1.00 0.00 H new ATOM 0 HG1 THR A 75 -18.629 -2.247 0.440 1.00 0.00 H new ATOM 0 HG21 THR A 75 -17.353 -2.479 2.316 1.00 0.00 H new ATOM 0 HG22 THR A 75 -16.092 -1.265 2.636 1.00 0.00 H new ATOM 0 HG23 THR A 75 -17.810 -0.832 2.812 1.00 0.00 H new ATOM 1163 N THR A 76 -18.826 1.773 0.496 1.00 0.00 N ATOM 1164 CA THR A 76 -19.881 2.637 1.008 1.00 0.00 C ATOM 1165 C THR A 76 -20.869 1.846 1.856 1.00 0.00 C ATOM 1166 O THR A 76 -21.999 1.586 1.442 1.00 0.00 O ATOM 1167 CB THR A 76 -20.607 3.333 -0.148 1.00 0.00 C ATOM 1168 OG1 THR A 76 -20.010 2.993 -1.392 1.00 0.00 O ATOM 1169 CG2 THR A 76 -20.608 4.845 -0.018 1.00 0.00 C ATOM 0 H THR A 76 -18.934 1.514 -0.485 1.00 0.00 H new ATOM 0 HA THR A 76 -19.422 3.396 1.641 1.00 0.00 H new ATOM 0 HB THR A 76 -21.639 2.983 -0.107 1.00 0.00 H new ATOM 0 HG1 THR A 76 -20.037 3.769 -1.990 1.00 0.00 H new ATOM 0 HG21 THR A 76 -21.136 5.283 -0.865 1.00 0.00 H new ATOM 0 HG22 THR A 76 -21.108 5.130 0.908 1.00 0.00 H new ATOM 0 HG23 THR A 76 -19.581 5.210 -0.003 1.00 0.00 H new ATOM 1294 N GLY A 84 -12.947 -12.675 6.791 1.00 0.00 N ATOM 1295 CA GLY A 84 -11.510 -12.760 6.595 1.00 0.00 C ATOM 1296 C GLY A 84 -10.758 -11.679 7.345 1.00 0.00 C ATOM 1297 O GLY A 84 -10.827 -11.603 8.571 1.00 0.00 O ATOM 0 HA2 GLY A 84 -11.159 -13.738 6.924 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -11.286 -12.683 5.531 1.00 0.00 H new ATOM 1301 N ASP A 85 -10.041 -10.838 6.609 1.00 0.00 N ATOM 1302 CA ASP A 85 -9.279 -9.757 7.215 1.00 0.00 C ATOM 1303 C ASP A 85 -9.208 -8.561 6.277 1.00 0.00 C ATOM 1304 O ASP A 85 -8.345 -7.703 6.427 1.00 0.00 O ATOM 1305 CB ASP A 85 -7.867 -10.233 7.565 1.00 0.00 C ATOM 1306 CG ASP A 85 -7.530 -10.019 9.027 1.00 0.00 C ATOM 1307 OD1 ASP A 85 -8.432 -10.181 9.875 1.00 0.00 O ATOM 1308 OD2 ASP A 85 -6.362 -9.692 9.325 1.00 0.00 O ATOM 0 H ASP A 85 -9.972 -10.885 5.592 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.786 -9.452 8.130 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -7.774 -11.292 7.325 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.144 -9.701 6.947 1.00 0.00 H new ATOM 1313 N ILE A 86 -10.130 -8.506 5.320 1.00 0.00 N ATOM 1314 CA ILE A 86 -10.177 -7.414 4.358 1.00 0.00 C ATOM 1315 C ILE A 86 -10.270 -6.061 5.075 1.00 0.00 C ATOM 1316 O ILE A 86 -11.338 -5.672 5.547 1.00 0.00 O ATOM 1317 CB ILE A 86 -11.379 -7.574 3.405 1.00 0.00 C ATOM 1318 CG1 ILE A 86 -11.381 -6.477 2.344 1.00 0.00 C ATOM 1319 CG2 ILE A 86 -12.674 -7.530 4.191 1.00 0.00 C ATOM 1320 CD1 ILE A 86 -12.251 -6.782 1.143 1.00 0.00 C ATOM 0 H ILE A 86 -10.857 -9.210 5.192 1.00 0.00 H new ATOM 0 HA ILE A 86 -9.256 -7.446 3.776 1.00 0.00 H new ATOM 0 HB ILE A 86 -11.292 -8.539 2.905 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -11.721 -5.547 2.799 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -10.358 -6.311 2.006 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -13.517 -7.644 3.510 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -12.685 -8.340 4.920 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -12.753 -6.574 4.709 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -12.198 -5.954 0.436 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -11.899 -7.694 0.661 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -13.283 -6.918 1.466 1.00 0.00 H new ATOM 1332 N PRO A 87 -9.148 -5.327 5.171 1.00 0.00 N ATOM 1333 CA PRO A 87 -9.111 -4.017 5.841 1.00 0.00 C ATOM 1334 C PRO A 87 -9.916 -2.955 5.097 1.00 0.00 C ATOM 1335 O PRO A 87 -9.342 -2.076 4.454 1.00 0.00 O ATOM 1336 CB PRO A 87 -7.621 -3.657 5.824 1.00 0.00 C ATOM 1337 CG PRO A 87 -7.066 -4.414 4.668 1.00 0.00 C ATOM 1338 CD PRO A 87 -7.824 -5.708 4.640 1.00 0.00 C ATOM 0 HA PRO A 87 -9.549 -4.059 6.838 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -7.474 -2.584 5.703 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -7.133 -3.943 6.756 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -7.197 -3.862 3.737 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -5.997 -4.587 4.789 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -7.895 -6.113 3.630 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -7.346 -6.470 5.256 1.00 0.00 H new ATOM 1346 N LEU A 88 -11.245 -3.030 5.181 1.00 0.00 N ATOM 1347 CA LEU A 88 -12.096 -2.062 4.495 1.00 0.00 C ATOM 1348 C LEU A 88 -12.562 -0.957 5.433 1.00 0.00 C ATOM 1349 O LEU A 88 -12.536 -1.110 6.653 1.00 0.00 O ATOM 1350 CB LEU A 88 -13.314 -2.744 3.868 1.00 0.00 C ATOM 1351 CG LEU A 88 -14.302 -3.358 4.854 1.00 0.00 C ATOM 1352 CD1 LEU A 88 -15.396 -2.354 5.182 1.00 0.00 C ATOM 1353 CD2 LEU A 88 -14.896 -4.639 4.281 1.00 0.00 C ATOM 0 H LEU A 88 -11.749 -3.742 5.710 1.00 0.00 H new ATOM 0 HA LEU A 88 -11.490 -1.615 3.706 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -13.844 -2.013 3.257 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -12.964 -3.527 3.196 1.00 0.00 H new ATOM 0 HG LEU A 88 -13.776 -3.611 5.774 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -16.099 -2.799 5.887 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -14.951 -1.463 5.626 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -15.923 -2.079 4.269 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -15.599 -5.066 4.996 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -15.417 -4.414 3.350 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -14.098 -5.355 4.086 1.00 0.00 H new ATOM 1365 N VAL A 89 -12.986 0.160 4.847 1.00 0.00 N ATOM 1366 CA VAL A 89 -13.456 1.302 5.620 1.00 0.00 C ATOM 1367 C VAL A 89 -14.607 2.012 4.916 1.00 0.00 C ATOM 1368 O VAL A 89 -14.721 1.974 3.690 1.00 0.00 O ATOM 1369 CB VAL A 89 -12.319 2.311 5.869 1.00 0.00 C ATOM 1370 CG1 VAL A 89 -11.724 2.777 4.550 1.00 0.00 C ATOM 1371 CG2 VAL A 89 -12.812 3.493 6.691 1.00 0.00 C ATOM 0 H VAL A 89 -13.013 0.297 3.837 1.00 0.00 H new ATOM 0 HA VAL A 89 -13.808 0.914 6.576 1.00 0.00 H new ATOM 0 HB VAL A 89 -11.536 1.811 6.440 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -10.922 3.489 4.744 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -11.325 1.920 4.008 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -12.498 3.256 3.951 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -11.991 4.191 6.853 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -13.617 3.997 6.156 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -13.182 3.138 7.653 1.00 0.00 H new ATOM 1381 N HIS A 90 -15.456 2.658 5.706 1.00 0.00 N ATOM 1382 CA HIS A 90 -16.606 3.382 5.179 1.00 0.00 C ATOM 1383 C HIS A 90 -16.228 4.812 4.799 1.00 0.00 C ATOM 1384 O HIS A 90 -15.369 5.425 5.431 1.00 0.00 O ATOM 1385 CB HIS A 90 -17.730 3.393 6.216 1.00 0.00 C ATOM 1386 CG HIS A 90 -18.114 2.023 6.687 1.00 0.00 C ATOM 1387 ND1 HIS A 90 -17.906 1.576 7.975 1.00 0.00 N ATOM 1388 CD2 HIS A 90 -18.698 0.997 6.027 1.00 0.00 C ATOM 1389 CE1 HIS A 90 -18.345 0.332 8.085 1.00 0.00 C ATOM 1390 NE2 HIS A 90 -18.830 -0.042 6.915 1.00 0.00 N ATOM 0 H HIS A 90 -15.368 2.695 6.722 1.00 0.00 H new ATOM 0 HA HIS A 90 -16.949 2.873 4.278 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -17.419 3.990 7.073 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -18.605 3.881 5.788 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -19.004 0.995 4.991 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -18.312 -0.273 8.979 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -19.236 -0.954 6.705 1.00 0.00 H new ATOM 1399 N GLY A 91 -16.872 5.336 3.759 1.00 0.00 N ATOM 1400 CA GLY A 91 -16.585 6.689 3.311 1.00 0.00 C ATOM 1401 C GLY A 91 -17.729 7.647 3.578 1.00 0.00 C ATOM 1402 O GLY A 91 -17.968 8.568 2.798 1.00 0.00 O ATOM 0 H GLY A 91 -17.587 4.849 3.219 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -15.688 7.051 3.813 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -16.369 6.676 2.243 1.00 0.00 H new ATOM 1406 N MET A 92 -18.435 7.433 4.683 1.00 0.00 N ATOM 1407 CA MET A 92 -19.559 8.285 5.052 1.00 0.00 C ATOM 1408 C MET A 92 -19.134 9.753 5.142 1.00 0.00 C ATOM 1409 O MET A 92 -19.768 10.624 4.546 1.00 0.00 O ATOM 1410 CB MET A 92 -20.160 7.823 6.382 1.00 0.00 C ATOM 1411 CG MET A 92 -21.342 8.661 6.844 1.00 0.00 C ATOM 1412 SD MET A 92 -22.821 7.675 7.153 1.00 0.00 S ATOM 1413 CE MET A 92 -23.960 8.936 7.719 1.00 0.00 C ATOM 0 H MET A 92 -18.248 6.675 5.340 1.00 0.00 H new ATOM 0 HA MET A 92 -20.317 8.201 4.273 1.00 0.00 H new ATOM 0 HB2 MET A 92 -20.478 6.785 6.286 1.00 0.00 H new ATOM 0 HB3 MET A 92 -19.386 7.849 7.149 1.00 0.00 H new ATOM 0 HG2 MET A 92 -21.070 9.194 7.755 1.00 0.00 H new ATOM 0 HG3 MET A 92 -21.565 9.414 6.088 1.00 0.00 H new ATOM 0 HE1 MET A 92 -24.922 8.480 7.950 1.00 0.00 H new ATOM 0 HE2 MET A 92 -23.560 9.412 8.614 1.00 0.00 H new ATOM 0 HE3 MET A 92 -24.092 9.685 6.938 1.00 0.00 H new ATOM 1423 N PRO A 93 -18.060 10.054 5.895 1.00 0.00 N ATOM 1424 CA PRO A 93 -17.573 11.428 6.055 1.00 0.00 C ATOM 1425 C PRO A 93 -16.879 11.965 4.804 1.00 0.00 C ATOM 1426 O PRO A 93 -16.962 13.157 4.510 1.00 0.00 O ATOM 1427 CB PRO A 93 -16.584 11.318 7.216 1.00 0.00 C ATOM 1428 CG PRO A 93 -16.098 9.912 7.167 1.00 0.00 C ATOM 1429 CD PRO A 93 -17.245 9.087 6.657 1.00 0.00 C ATOM 0 HA PRO A 93 -18.390 12.127 6.234 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -15.762 12.025 7.104 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -17.066 11.537 8.169 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -15.233 9.822 6.510 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -15.785 9.574 8.155 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -16.900 8.269 6.025 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -17.812 8.641 7.474 1.00 0.00 H new ATOM 1437 N PHE A 94 -16.195 11.089 4.070 1.00 0.00 N ATOM 1438 CA PHE A 94 -15.495 11.505 2.855 1.00 0.00 C ATOM 1439 C PHE A 94 -16.495 11.926 1.777 1.00 0.00 C ATOM 1440 O PHE A 94 -16.245 12.865 1.020 1.00 0.00 O ATOM 1441 CB PHE A 94 -14.606 10.358 2.341 1.00 0.00 C ATOM 1442 CG PHE A 94 -13.119 10.655 2.300 1.00 0.00 C ATOM 1443 CD1 PHE A 94 -12.561 11.719 3.001 1.00 0.00 C ATOM 1444 CD2 PHE A 94 -12.275 9.844 1.554 1.00 0.00 C ATOM 1445 CE1 PHE A 94 -11.198 11.963 2.953 1.00 0.00 C ATOM 1446 CE2 PHE A 94 -10.915 10.086 1.505 1.00 0.00 C ATOM 1447 CZ PHE A 94 -10.377 11.146 2.205 1.00 0.00 C ATOM 0 H PHE A 94 -16.110 10.097 4.292 1.00 0.00 H new ATOM 0 HA PHE A 94 -14.864 12.362 3.091 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -14.767 9.485 2.973 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -14.933 10.089 1.337 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -13.198 12.363 3.590 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -12.687 9.011 1.003 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -10.779 12.793 3.502 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -10.273 9.445 0.919 1.00 0.00 H new ATOM 0 HZ PHE A 94 -9.314 11.336 2.167 1.00 0.00 H new ATOM 1457 N VAL A 95 -17.625 11.227 1.711 1.00 0.00 N ATOM 1458 CA VAL A 95 -18.657 11.536 0.723 1.00 0.00 C ATOM 1459 C VAL A 95 -19.444 12.788 1.103 1.00 0.00 C ATOM 1460 O VAL A 95 -20.040 13.443 0.248 1.00 0.00 O ATOM 1461 CB VAL A 95 -19.643 10.360 0.556 1.00 0.00 C ATOM 1462 CG1 VAL A 95 -20.416 10.106 1.842 1.00 0.00 C ATOM 1463 CG2 VAL A 95 -20.600 10.621 -0.595 1.00 0.00 C ATOM 0 H VAL A 95 -17.850 10.446 2.327 1.00 0.00 H new ATOM 0 HA VAL A 95 -18.140 11.713 -0.220 1.00 0.00 H new ATOM 0 HB VAL A 95 -19.062 9.467 0.328 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -21.103 9.272 1.695 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -19.719 9.864 2.644 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -20.981 10.999 2.109 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -21.286 9.780 -0.695 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -21.167 11.531 -0.397 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -20.034 10.740 -1.519 1.00 0.00 H new ATOM 1473 N SER A 96 -19.446 13.110 2.390 1.00 0.00 N ATOM 1474 CA SER A 96 -20.166 14.277 2.886 1.00 0.00 C ATOM 1475 C SER A 96 -19.717 15.547 2.178 1.00 0.00 C ATOM 1476 O SER A 96 -20.490 16.497 2.034 1.00 0.00 O ATOM 1477 CB SER A 96 -19.953 14.421 4.390 1.00 0.00 C ATOM 1478 OG SER A 96 -20.950 15.244 4.968 1.00 0.00 O ATOM 0 H SER A 96 -18.957 12.579 3.111 1.00 0.00 H new ATOM 0 HA SER A 96 -21.226 14.130 2.680 1.00 0.00 H new ATOM 0 HB2 SER A 96 -19.972 13.437 4.859 1.00 0.00 H new ATOM 0 HB3 SER A 96 -18.968 14.847 4.582 1.00 0.00 H new ATOM 0 HG SER A 96 -20.793 15.320 5.932 1.00 0.00 H new ATOM 1484 N GLY A 97 -18.465 15.561 1.742 1.00 0.00 N ATOM 1485 CA GLY A 97 -17.938 16.727 1.058 1.00 0.00 C ATOM 1486 C GLY A 97 -17.709 17.906 1.993 1.00 0.00 C ATOM 1487 O GLY A 97 -17.228 18.954 1.565 1.00 0.00 O ATOM 0 H GLY A 97 -17.806 14.790 1.849 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -16.997 16.465 0.575 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -18.630 17.024 0.269 1.00 0.00 H new ATOM 1491 N VAL A 98 -18.070 17.742 3.266 1.00 0.00 N ATOM 1492 CA VAL A 98 -17.922 18.805 4.251 1.00 0.00 C ATOM 1493 C VAL A 98 -17.074 18.355 5.441 1.00 0.00 C ATOM 1494 O VAL A 98 -16.294 19.135 5.986 1.00 0.00 O ATOM 1495 CB VAL A 98 -19.307 19.271 4.751 1.00 0.00 C ATOM 1496 CG1 VAL A 98 -19.180 20.264 5.897 1.00 0.00 C ATOM 1497 CG2 VAL A 98 -20.107 19.870 3.603 1.00 0.00 C ATOM 0 H VAL A 98 -18.468 16.879 3.637 1.00 0.00 H new ATOM 0 HA VAL A 98 -17.412 19.635 3.762 1.00 0.00 H new ATOM 0 HB VAL A 98 -19.839 18.399 5.131 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -20.173 20.571 6.224 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -18.653 19.795 6.728 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -18.622 21.138 5.561 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -21.081 20.195 3.969 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -19.570 20.725 3.193 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -20.243 19.120 2.824 1.00 0.00 H new ATOM 1507 N GLY A 99 -17.236 17.098 5.843 1.00 0.00 N ATOM 1508 CA GLY A 99 -16.479 16.580 6.968 1.00 0.00 C ATOM 1509 C GLY A 99 -15.141 15.989 6.562 1.00 0.00 C ATOM 1510 O GLY A 99 -14.501 15.295 7.354 1.00 0.00 O ATOM 0 H GLY A 99 -17.876 16.431 5.411 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -16.312 17.382 7.687 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -17.069 15.816 7.474 1.00 0.00 H new ATOM 1514 N ILE A 100 -14.710 16.262 5.333 1.00 0.00 N ATOM 1515 CA ILE A 100 -13.433 15.751 4.847 1.00 0.00 C ATOM 1516 C ILE A 100 -12.273 16.362 5.619 1.00 0.00 C ATOM 1517 O ILE A 100 -11.350 15.663 6.019 1.00 0.00 O ATOM 1518 CB ILE A 100 -13.218 16.047 3.351 1.00 0.00 C ATOM 1519 CG1 ILE A 100 -14.435 15.630 2.529 1.00 0.00 C ATOM 1520 CG2 ILE A 100 -11.975 15.331 2.848 1.00 0.00 C ATOM 1521 CD1 ILE A 100 -14.440 16.220 1.136 1.00 0.00 C ATOM 0 H ILE A 100 -15.223 16.831 4.660 1.00 0.00 H new ATOM 0 HA ILE A 100 -13.463 14.672 4.997 1.00 0.00 H new ATOM 0 HB ILE A 100 -13.081 17.122 3.234 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -14.462 14.543 2.457 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -15.341 15.938 3.051 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -11.834 15.548 1.789 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -11.105 15.675 3.408 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -12.094 14.256 2.985 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -15.330 15.886 0.603 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -14.443 17.308 1.202 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -13.550 15.892 0.599 1.00 0.00 H new ATOM 1533 N GLU A 101 -12.323 17.674 5.818 1.00 0.00 N ATOM 1534 CA GLU A 101 -11.266 18.386 6.535 1.00 0.00 C ATOM 1535 C GLU A 101 -10.886 17.677 7.834 1.00 0.00 C ATOM 1536 O GLU A 101 -9.709 17.421 8.089 1.00 0.00 O ATOM 1537 CB GLU A 101 -11.698 19.822 6.834 1.00 0.00 C ATOM 1538 CG GLU A 101 -13.066 19.929 7.488 1.00 0.00 C ATOM 1539 CD GLU A 101 -13.553 21.361 7.588 1.00 0.00 C ATOM 1540 OE1 GLU A 101 -13.294 22.143 6.649 1.00 0.00 O ATOM 1541 OE2 GLU A 101 -14.192 21.700 8.606 1.00 0.00 O ATOM 0 H GLU A 101 -13.085 18.269 5.493 1.00 0.00 H new ATOM 0 HA GLU A 101 -10.387 18.400 5.890 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -10.957 20.286 7.485 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -11.705 20.390 5.904 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -13.785 19.344 6.915 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -13.023 19.493 8.486 1.00 0.00 H new ATOM 1548 N ALA A 102 -11.884 17.364 8.652 1.00 0.00 N ATOM 1549 CA ALA A 102 -11.643 16.687 9.919 1.00 0.00 C ATOM 1550 C ALA A 102 -11.224 15.240 9.691 1.00 0.00 C ATOM 1551 O ALA A 102 -10.283 14.750 10.317 1.00 0.00 O ATOM 1552 CB ALA A 102 -12.882 16.749 10.798 1.00 0.00 C ATOM 0 H ALA A 102 -12.865 17.568 8.461 1.00 0.00 H new ATOM 0 HA ALA A 102 -10.828 17.200 10.429 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -12.685 16.239 11.741 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -13.136 17.790 10.995 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -13.714 16.263 10.289 1.00 0.00 H new ATOM 1558 N LEU A 103 -11.927 14.562 8.791 1.00 0.00 N ATOM 1559 CA LEU A 103 -11.625 13.172 8.481 1.00 0.00 C ATOM 1560 C LEU A 103 -10.219 13.037 7.915 1.00 0.00 C ATOM 1561 O LEU A 103 -9.450 12.178 8.339 1.00 0.00 O ATOM 1562 CB LEU A 103 -12.634 12.603 7.484 1.00 0.00 C ATOM 1563 CG LEU A 103 -12.486 11.106 7.221 1.00 0.00 C ATOM 1564 CD1 LEU A 103 -13.165 10.303 8.321 1.00 0.00 C ATOM 1565 CD2 LEU A 103 -13.046 10.742 5.854 1.00 0.00 C ATOM 0 H LEU A 103 -12.709 14.953 8.265 1.00 0.00 H new ATOM 0 HA LEU A 103 -11.690 12.606 9.410 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -13.641 12.797 7.854 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -12.534 13.137 6.539 1.00 0.00 H new ATOM 0 HG LEU A 103 -11.425 10.857 7.225 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -13.050 9.238 8.118 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -12.707 10.541 9.281 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -14.225 10.554 8.353 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -12.930 9.671 5.687 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -14.103 11.004 5.812 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -12.506 11.290 5.082 1.00 0.00 H new ATOM 1577 N GLN A 104 -9.889 13.889 6.951 1.00 0.00 N ATOM 1578 CA GLN A 104 -8.573 13.861 6.325 1.00 0.00 C ATOM 1579 C GLN A 104 -7.468 13.952 7.376 1.00 0.00 C ATOM 1580 O GLN A 104 -6.535 13.149 7.384 1.00 0.00 O ATOM 1581 CB GLN A 104 -8.435 14.995 5.307 1.00 0.00 C ATOM 1582 CG GLN A 104 -7.897 14.526 3.964 1.00 0.00 C ATOM 1583 CD GLN A 104 -7.442 15.668 3.078 1.00 0.00 C ATOM 1584 OE1 GLN A 104 -7.462 16.829 3.484 1.00 0.00 O ATOM 1585 NE2 GLN A 104 -7.033 15.340 1.858 1.00 0.00 N ATOM 0 H GLN A 104 -10.515 14.607 6.586 1.00 0.00 H new ATOM 0 HA GLN A 104 -8.469 12.911 5.801 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -9.408 15.463 5.159 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -7.772 15.760 5.711 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -7.061 13.847 4.131 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -8.670 13.958 3.447 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -7.034 14.363 1.565 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -6.718 16.065 1.214 1.00 0.00 H new ATOM 1594 N ASN A 105 -7.582 14.935 8.261 1.00 0.00 N ATOM 1595 CA ASN A 105 -6.595 15.135 9.315 1.00 0.00 C ATOM 1596 C ASN A 105 -6.415 13.871 10.154 1.00 0.00 C ATOM 1597 O ASN A 105 -5.296 13.394 10.343 1.00 0.00 O ATOM 1598 CB ASN A 105 -7.019 16.295 10.217 1.00 0.00 C ATOM 1599 CG ASN A 105 -6.033 16.539 11.344 1.00 0.00 C ATOM 1600 OD1 ASN A 105 -6.391 16.481 12.520 1.00 0.00 O ATOM 1601 ND2 ASN A 105 -4.785 16.812 10.986 1.00 0.00 N ATOM 0 H ASN A 105 -8.349 15.607 8.270 1.00 0.00 H new ATOM 0 HA ASN A 105 -5.642 15.370 8.841 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -7.115 17.201 9.619 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -8.003 16.085 10.637 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -4.076 16.984 11.699 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -4.534 16.849 9.998 1.00 0.00 H new ATOM 1608 N LYS A 106 -7.521 13.338 10.667 1.00 0.00 N ATOM 1609 CA LYS A 106 -7.476 12.141 11.494 1.00 0.00 C ATOM 1610 C LYS A 106 -7.076 10.916 10.680 1.00 0.00 C ATOM 1611 O LYS A 106 -6.264 10.113 11.125 1.00 0.00 O ATOM 1612 CB LYS A 106 -8.828 11.903 12.167 1.00 0.00 C ATOM 1613 CG LYS A 106 -8.992 12.636 13.494 1.00 0.00 C ATOM 1614 CD LYS A 106 -10.199 13.563 13.482 1.00 0.00 C ATOM 1615 CE LYS A 106 -11.477 12.835 13.876 1.00 0.00 C ATOM 1616 NZ LYS A 106 -11.412 12.291 15.262 1.00 0.00 N ATOM 0 H LYS A 106 -8.457 13.717 10.523 1.00 0.00 H new ATOM 0 HA LYS A 106 -6.719 12.300 12.262 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -9.621 12.217 11.489 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -8.957 10.834 12.335 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -9.099 11.910 14.300 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -8.092 13.214 13.704 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -10.027 14.392 14.168 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -10.317 13.992 12.487 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -12.322 13.519 13.795 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -11.659 12.020 13.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -12.376 12.176 15.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -10.933 11.368 15.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -10.882 12.949 15.869 1.00 0.00 H new ATOM 1630 N ILE A 107 -7.651 10.770 9.490 1.00 0.00 N ATOM 1631 CA ILE A 107 -7.339 9.628 8.642 1.00 0.00 C ATOM 1632 C ILE A 107 -5.873 9.636 8.221 1.00 0.00 C ATOM 1633 O ILE A 107 -5.205 8.604 8.246 1.00 0.00 O ATOM 1634 CB ILE A 107 -8.241 9.574 7.384 1.00 0.00 C ATOM 1635 CG1 ILE A 107 -8.192 8.190 6.733 1.00 0.00 C ATOM 1636 CG2 ILE A 107 -7.831 10.635 6.381 1.00 0.00 C ATOM 1637 CD1 ILE A 107 -8.235 7.051 7.726 1.00 0.00 C ATOM 0 H ILE A 107 -8.329 11.422 9.095 1.00 0.00 H new ATOM 0 HA ILE A 107 -7.533 8.737 9.239 1.00 0.00 H new ATOM 0 HB ILE A 107 -9.265 9.771 7.702 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -9.031 8.092 6.044 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -7.281 8.109 6.140 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -8.478 10.578 5.506 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -7.923 11.621 6.836 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -6.797 10.470 6.079 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -8.197 6.101 7.192 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -7.381 7.123 8.400 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -9.158 7.106 8.303 1.00 0.00 H new ATOM 1649 N LEU A 108 -5.375 10.806 7.839 1.00 0.00 N ATOM 1650 CA LEU A 108 -3.989 10.931 7.419 1.00 0.00 C ATOM 1651 C LEU A 108 -3.048 10.527 8.546 1.00 0.00 C ATOM 1652 O LEU A 108 -2.101 9.777 8.329 1.00 0.00 O ATOM 1653 CB LEU A 108 -3.684 12.366 6.982 1.00 0.00 C ATOM 1654 CG LEU A 108 -4.263 12.770 5.622 1.00 0.00 C ATOM 1655 CD1 LEU A 108 -4.344 14.288 5.502 1.00 0.00 C ATOM 1656 CD2 LEU A 108 -3.430 12.181 4.489 1.00 0.00 C ATOM 0 H LEU A 108 -5.908 11.675 7.812 1.00 0.00 H new ATOM 0 HA LEU A 108 -3.834 10.263 6.572 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -4.068 13.049 7.740 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.602 12.498 6.952 1.00 0.00 H new ATOM 0 HG LEU A 108 -5.274 12.369 5.546 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -4.758 14.555 4.529 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -4.986 14.681 6.290 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -3.346 14.715 5.601 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.856 12.479 3.531 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.406 12.549 4.561 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.431 11.094 4.564 1.00 0.00 H new ATOM 1668 N THR A 109 -3.326 11.027 9.749 1.00 0.00 N ATOM 1669 CA THR A 109 -2.508 10.726 10.919 1.00 0.00 C ATOM 1670 C THR A 109 -2.472 9.229 11.208 1.00 0.00 C ATOM 1671 O THR A 109 -1.417 8.674 11.516 1.00 0.00 O ATOM 1672 CB THR A 109 -3.034 11.482 12.141 1.00 0.00 C ATOM 1673 OG1 THR A 109 -3.109 12.873 11.878 1.00 0.00 O ATOM 1674 CG2 THR A 109 -2.178 11.300 13.378 1.00 0.00 C ATOM 0 H THR A 109 -4.115 11.645 9.938 1.00 0.00 H new ATOM 0 HA THR A 109 -1.490 11.051 10.704 1.00 0.00 H new ATOM 0 HB THR A 109 -4.020 11.059 12.334 1.00 0.00 H new ATOM 0 HG1 THR A 109 -3.817 13.044 11.223 1.00 0.00 H new ATOM 0 HG21 THR A 109 -2.610 11.863 14.205 1.00 0.00 H new ATOM 0 HG22 THR A 109 -2.138 10.243 13.641 1.00 0.00 H new ATOM 0 HG23 THR A 109 -1.170 11.663 13.179 1.00 0.00 H new ATOM 1682 N ILE A 110 -3.627 8.574 11.111 1.00 0.00 N ATOM 1683 CA ILE A 110 -3.707 7.139 11.370 1.00 0.00 C ATOM 1684 C ILE A 110 -2.739 6.367 10.476 1.00 0.00 C ATOM 1685 O ILE A 110 -1.968 5.535 10.953 1.00 0.00 O ATOM 1686 CB ILE A 110 -5.133 6.590 11.156 1.00 0.00 C ATOM 1687 CG1 ILE A 110 -6.148 7.372 11.991 1.00 0.00 C ATOM 1688 CG2 ILE A 110 -5.189 5.113 11.519 1.00 0.00 C ATOM 1689 CD1 ILE A 110 -7.520 7.447 11.356 1.00 0.00 C ATOM 0 H ILE A 110 -4.513 9.010 10.857 1.00 0.00 H new ATOM 0 HA ILE A 110 -3.434 6.998 12.416 1.00 0.00 H new ATOM 0 HB ILE A 110 -5.388 6.708 10.103 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -6.235 6.906 12.973 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -5.774 8.383 12.150 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -6.201 4.738 11.363 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -4.495 4.557 10.889 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -4.911 4.985 12.565 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -8.189 8.016 12.002 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -7.446 7.940 10.387 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -7.914 6.440 11.222 1.00 0.00 H new ATOM 1701 N LEU A 111 -2.784 6.649 9.177 1.00 0.00 N ATOM 1702 CA LEU A 111 -1.910 5.977 8.223 1.00 0.00 C ATOM 1703 C LEU A 111 -0.447 6.309 8.499 1.00 0.00 C ATOM 1704 O LEU A 111 0.416 5.434 8.445 1.00 0.00 O ATOM 1705 CB LEU A 111 -2.276 6.370 6.791 1.00 0.00 C ATOM 1706 CG LEU A 111 -3.755 6.209 6.431 1.00 0.00 C ATOM 1707 CD1 LEU A 111 -4.164 7.227 5.376 1.00 0.00 C ATOM 1708 CD2 LEU A 111 -4.035 4.790 5.952 1.00 0.00 C ATOM 0 H LEU A 111 -3.414 7.336 8.763 1.00 0.00 H new ATOM 0 HA LEU A 111 -2.048 4.902 8.339 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -1.991 7.410 6.632 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -1.683 5.768 6.103 1.00 0.00 H new ATOM 0 HG LEU A 111 -4.350 6.391 7.326 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -5.219 7.096 5.134 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -4.002 8.234 5.760 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -3.564 7.081 4.478 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -5.091 4.693 5.700 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -3.431 4.578 5.070 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -3.784 4.083 6.743 1.00 0.00 H new ATOM 1720 N GLN A 112 -0.172 7.577 8.801 1.00 0.00 N ATOM 1721 CA GLN A 112 1.192 8.010 9.089 1.00 0.00 C ATOM 1722 C GLN A 112 1.483 7.953 10.587 1.00 0.00 C ATOM 1723 O GLN A 112 2.343 8.678 11.088 1.00 0.00 O ATOM 1724 CB GLN A 112 1.436 9.428 8.561 1.00 0.00 C ATOM 1725 CG GLN A 112 0.587 10.497 9.232 1.00 0.00 C ATOM 1726 CD GLN A 112 0.737 11.855 8.572 1.00 0.00 C ATOM 1727 OE1 GLN A 112 1.851 12.315 8.326 1.00 0.00 O ATOM 1728 NE2 GLN A 112 -0.384 12.505 8.277 1.00 0.00 N ATOM 0 H GLN A 112 -0.872 8.318 8.852 1.00 0.00 H new ATOM 0 HA GLN A 112 1.870 7.325 8.580 1.00 0.00 H new ATOM 0 HB2 GLN A 112 2.488 9.678 8.696 1.00 0.00 H new ATOM 0 HB3 GLN A 112 1.239 9.443 7.489 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -0.460 10.196 9.203 1.00 0.00 H new ATOM 0 HG3 GLN A 112 0.868 10.574 10.282 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -1.288 12.088 8.498 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -0.340 13.421 7.830 1.00 0.00 H new ATOM 1737 N GLY A 113 0.765 7.087 11.297 1.00 0.00 N ATOM 1738 CA GLY A 113 0.967 6.951 12.727 1.00 0.00 C ATOM 1739 C GLY A 113 2.363 6.469 13.068 1.00 0.00 C ATOM 1740 O GLY A 113 3.248 6.546 12.190 1.00 0.00 O ATOM 1741 OXT GLY A 113 2.571 6.011 14.211 1.00 0.00 O ATOM 0 H GLY A 113 0.047 6.477 10.906 1.00 0.00 H new ATOM 0 HA2 GLY A 113 0.789 7.912 13.210 1.00 0.00 H new ATOM 0 HA3 GLY A 113 0.235 6.251 13.130 1.00 0.00 H new